smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C)c(C[N@H+]2CCOC[C@@](O)(C(F)(F)F)C2)c1O ZINC001140178826 776880475 /nfs/dbraw/zinc/88/04/75/776880475.db2.gz ZBRYJCXITMFLMV-CQSZACIVSA-N 1 1 319.323 2.135 20 10 DECDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000092455512 778496915 /nfs/dbraw/zinc/49/69/15/778496915.db2.gz PWEDNTIQMVSJRM-ZDUSSCGKSA-N 1 1 322.405 2.500 20 10 DECDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+]1CC ZINC001087844010 779481119 /nfs/dbraw/zinc/48/11/19/779481119.db2.gz CLXPBZIDPJCIDN-UONOGXRCSA-N 1 1 317.393 2.452 20 10 DECDMO [O-]c1cc(F)c(Br)cc1CN1CC[N@H+]2CC[C@H]2C1 ZINC001144308642 790856901 /nfs/dbraw/zinc/85/69/01/790856901.db2.gz RYCKDYOIRMIHJB-JTQLQIEISA-N 1 1 315.186 2.184 20 10 DECDMO Oc1cc(F)c(Br)cc1CN1CC[N@H+]2CC[C@H]2C1 ZINC001144308642 790856927 /nfs/dbraw/zinc/85/69/27/790856927.db2.gz RYCKDYOIRMIHJB-JTQLQIEISA-N 1 1 315.186 2.184 20 10 DECDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509960 790940689 /nfs/dbraw/zinc/94/06/89/790940689.db2.gz OKXMWMISUFYDHH-PXAZEXFGSA-N 1 1 307.390 2.442 20 10 DECDMO Oc1cc(O)c(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c(O)c1 ZINC001144509553 790941268 /nfs/dbraw/zinc/94/12/68/790941268.db2.gz YWHTVJPBGMXZLD-CYBMUJFWSA-N 1 1 300.358 2.406 20 10 DECDMO Cc1cc(N2CC=C(CCNC(=O)C(C)(C)F)CC2)nc(C)[nH+]1 ZINC001089798232 783452355 /nfs/dbraw/zinc/45/23/55/783452355.db2.gz WUYHSAVAYBMCRM-UHFFFAOYSA-N 1 1 320.412 2.484 20 10 DECDMO CCCC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001007795116 785007937 /nfs/dbraw/zinc/00/79/37/785007937.db2.gz XKDVQTORPBKDPY-CQSZACIVSA-N 1 1 321.421 2.093 20 10 DECDMO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)CO1 ZINC001169418492 785179798 /nfs/dbraw/zinc/17/97/98/785179798.db2.gz NSZNYQJBUBDSGC-SJORKVTESA-N 1 1 320.433 2.295 20 10 DECDMO CCC[N@H+]1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)CC[C@H]1C ZINC001071646438 789839142 /nfs/dbraw/zinc/83/91/42/789839142.db2.gz YKSUCUUTFFIRFG-TZMCWYRMSA-N 1 1 321.421 2.092 20 10 DECDMO COC[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001116444274 794956708 /nfs/dbraw/zinc/95/67/08/794956708.db2.gz VNRMTSUWFZBILH-MRXNPFEDSA-N 1 1 321.440 2.046 20 10 DECDMO CCOCC[N@@H+](CC)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116442246 794956764 /nfs/dbraw/zinc/95/67/64/794956764.db2.gz NIYWZZPGIMRQII-UHFFFAOYSA-N 1 1 323.456 2.436 20 10 DECDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]21 ZINC001204321939 795617501 /nfs/dbraw/zinc/61/75/01/795617501.db2.gz MDHWDBBPEODXON-FVQHAEBGSA-N 1 1 300.402 2.138 20 10 DECDMO Cc1ccnc(O[C@H]2CC[N@H+](Cc3cccc(F)c3O)C2)n1 ZINC001138130890 796167213 /nfs/dbraw/zinc/16/72/13/796167213.db2.gz KJRBWUBWJBWOSF-ZDUSSCGKSA-N 1 1 303.337 2.283 20 10 DECDMO Cc1ccnc(O[C@H]2CC[N@@H+](Cc3cccc(F)c3O)C2)n1 ZINC001138130890 796167215 /nfs/dbraw/zinc/16/72/15/796167215.db2.gz KJRBWUBWJBWOSF-ZDUSSCGKSA-N 1 1 303.337 2.283 20 10 DECDMO OC[C@@H]1CCCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336186 796198580 /nfs/dbraw/zinc/19/85/80/796198580.db2.gz LSXBZQZWBMJGHP-INIZCTEOSA-N 1 1 316.445 2.438 20 10 DECDMO CC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138499641 796228069 /nfs/dbraw/zinc/22/80/69/796228069.db2.gz XBWZERFGWPFION-SFHVURJKSA-N 1 1 302.418 2.467 20 10 DECDMO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139407743 796372087 /nfs/dbraw/zinc/37/20/87/796372087.db2.gz CCTSJDNVBVXGMD-AEFFLSMTSA-N 1 1 317.477 2.031 20 10 DECDMO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139407743 796372094 /nfs/dbraw/zinc/37/20/94/796372094.db2.gz CCTSJDNVBVXGMD-AEFFLSMTSA-N 1 1 317.477 2.031 20 10 DECDMO C[C@H]1C[C@@H](CO)[N@@H+](Cc2c(O)cccc2Br)C1 ZINC001140098735 796477291 /nfs/dbraw/zinc/47/72/91/796477291.db2.gz KULCGCWSEJBMEO-UWVGGRQHSA-N 1 1 300.196 2.357 20 10 DECDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2c(C)ccc(C)c2O)CCS1 ZINC001140184594 796487686 /nfs/dbraw/zinc/48/76/86/796487686.db2.gz AXEWJWPOZLCNAY-AWEZNQCLSA-N 1 1 309.431 2.490 20 10 DECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C1CCOCC1 ZINC001140662172 796552158 /nfs/dbraw/zinc/55/21/58/796552158.db2.gz ILCVKWVGZZWZSD-UHFFFAOYSA-N 1 1 308.397 2.273 20 10 DECDMO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@]12CCOC2 ZINC001140667155 796553046 /nfs/dbraw/zinc/55/30/46/796553046.db2.gz JFLMDVPDXIPDND-QGZVFWFLSA-N 1 1 306.381 2.027 20 10 DECDMO Fc1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@]12CCOC2 ZINC001140667155 796553052 /nfs/dbraw/zinc/55/30/52/796553052.db2.gz JFLMDVPDXIPDND-QGZVFWFLSA-N 1 1 306.381 2.027 20 10 DECDMO COc1ccc(N2CC[NH+](Cc3cc[nH]c3)CC2)c(OC)c1 ZINC001140707769 796561940 /nfs/dbraw/zinc/56/19/40/796561940.db2.gz AVOKACSXLUVJNI-UHFFFAOYSA-N 1 1 301.390 2.354 20 10 DECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC)c(O)c1 ZINC001140850226 796582890 /nfs/dbraw/zinc/58/28/90/796582890.db2.gz HCEGQLKOTJPULF-OAHLLOKOSA-N 1 1 306.406 2.376 20 10 DECDMO COc1cc(O)c(C[N@@H+]2CCc3ncsc3C2)c(OC)c1 ZINC001141029550 796620920 /nfs/dbraw/zinc/62/09/20/796620920.db2.gz VPYHKLHZISUUMW-UHFFFAOYSA-N 1 1 306.387 2.424 20 10 DECDMO COc1cc(O)c(C[N@H+]2CCc3ncsc3C2)c(OC)c1 ZINC001141029550 796620926 /nfs/dbraw/zinc/62/09/26/796620926.db2.gz VPYHKLHZISUUMW-UHFFFAOYSA-N 1 1 306.387 2.424 20 10 DECDMO COc1cc(O)c(CN2CC[C@H]([N@@H+](C)C3CC3)C2)c(OC)c1 ZINC001141030869 796621503 /nfs/dbraw/zinc/62/15/03/796621503.db2.gz OKHYXAHCZJUYPO-ZDUSSCGKSA-N 1 1 306.406 2.078 20 10 DECDMO COc1cc(O)c(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c(OC)c1 ZINC001141032552 796622643 /nfs/dbraw/zinc/62/26/43/796622643.db2.gz GKKCNGNCDWSHRH-AAEUAGOBSA-N 1 1 305.374 2.210 20 10 DECDMO CN1CCOc2cc(C[N@H+]3CCC[C@@](C)(CO)CC3)ccc21 ZINC001141139730 796638071 /nfs/dbraw/zinc/63/80/71/796638071.db2.gz AIWFJSKCEZKESW-GOSISDBHSA-N 1 1 304.434 2.500 20 10 DECDMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@]1(C)O ZINC001141141045 796638476 /nfs/dbraw/zinc/63/84/76/796638476.db2.gz SNBJGGOIUCTQQD-KDOFPFPSSA-N 1 1 304.434 2.498 20 10 DECDMO CN1CCOc2cc(CN3CCC[C@H]4C[N@@H+](C)C[C@@H]43)ccc21 ZINC001141143797 796638798 /nfs/dbraw/zinc/63/87/98/796638798.db2.gz KNNDQRTZLRJODX-RDJZCZTQSA-N 1 1 301.434 2.041 20 10 DECDMO Cc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCN3C)n(C)n1 ZINC001141143254 796639167 /nfs/dbraw/zinc/63/91/67/796639167.db2.gz RJDXWUWHUKFJRH-UHFFFAOYSA-N 1 1 300.406 2.189 20 10 DECDMO Cc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCCN3C)n(C)n1 ZINC001141143254 796639172 /nfs/dbraw/zinc/63/91/72/796639172.db2.gz RJDXWUWHUKFJRH-UHFFFAOYSA-N 1 1 300.406 2.189 20 10 DECDMO O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2cc(O)ccc2O)N1CC1CC1 ZINC001141157305 796642449 /nfs/dbraw/zinc/64/24/49/796642449.db2.gz GBXLXEYLTDGIBC-HOTGVXAUSA-N 1 1 316.401 2.073 20 10 DECDMO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(O)ccc1O ZINC001141161749 796643037 /nfs/dbraw/zinc/64/30/37/796643037.db2.gz WTQJTEKRJURZLC-PJODQICGSA-N 1 1 305.374 2.261 20 10 DECDMO CCOC(=O)N1CCC([N@@H+](C)Cc2cc(O)ccc2O)CC1 ZINC001141161832 796643355 /nfs/dbraw/zinc/64/33/55/796643355.db2.gz ZNWZJIFXZAFYDA-UHFFFAOYSA-N 1 1 308.378 2.151 20 10 DECDMO [NH3+][C@H](C(=O)N1CCCc2cc(O)c(O)cc2C1)c1ccsc1 ZINC001160925211 798763569 /nfs/dbraw/zinc/76/35/69/798763569.db2.gz WDLAYEPVZKGJPN-HNNXBMFYSA-N 1 1 318.398 2.134 20 10 DECDMO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]21 ZINC001203549892 800077607 /nfs/dbraw/zinc/07/76/07/800077607.db2.gz BNLXSPHBNVQRGM-NHAGDIPZSA-N 1 1 304.390 2.347 20 10 DECDMO COCCN1CC[N@@H+](Cc2ccccc2O)Cc2cccnc21 ZINC001203553042 800079224 /nfs/dbraw/zinc/07/92/24/800079224.db2.gz ZESGGXWSHVVYFP-UHFFFAOYSA-N 1 1 313.401 2.256 20 10 DECDMO COc1cccc(C[N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c1O ZINC001203592995 800086463 /nfs/dbraw/zinc/08/64/63/800086463.db2.gz JKAOSZONQIVQDJ-KRWDZBQOSA-N 1 1 304.390 2.036 20 10 DECDMO CCOc1cccc(CN2CC[N@H+]3C[C@H](OCC)C[C@H]3C2)c1O ZINC001203609844 800089233 /nfs/dbraw/zinc/08/92/33/800089233.db2.gz MHVMCMPWOXSORT-JKSUJKDBSA-N 1 1 320.433 2.086 20 10 DECDMO COc1ccc(CN2CCN(c3cc[nH+]c(C)c3)CC2)c(O)c1 ZINC001203635372 800096469 /nfs/dbraw/zinc/09/64/69/800096469.db2.gz RLMXKDPPJUCVSK-UHFFFAOYSA-N 1 1 313.401 2.426 20 10 DECDMO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203874973 800138021 /nfs/dbraw/zinc/13/80/21/800138021.db2.gz GDMJMVYQOTVULR-UHFFFAOYSA-N 1 1 313.353 2.443 20 10 DECDMO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203874973 800138023 /nfs/dbraw/zinc/13/80/23/800138023.db2.gz GDMJMVYQOTVULR-UHFFFAOYSA-N 1 1 313.353 2.443 20 10 DECDMO CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(O)c(O)c3)CC[C@@H]21 ZINC001203876336 800138487 /nfs/dbraw/zinc/13/84/87/800138487.db2.gz AIAOGYDFZGFHKR-CABCVRRESA-N 1 1 318.417 2.177 20 10 DECDMO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001203878047 800138680 /nfs/dbraw/zinc/13/86/80/800138680.db2.gz PAKJOUJEAGDEES-JYAVWHMHSA-N 1 1 320.389 2.053 20 10 DECDMO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1O)N1CCCC1 ZINC001204274424 800197645 /nfs/dbraw/zinc/19/76/45/800197645.db2.gz ANTIFNXFOHVXQN-OAHLLOKOSA-N 1 1 304.390 2.075 20 10 DECDMO Cc1cc(O[C@@H]2CCC[N@@H+](Cc3ccc(O)cc3O)C2)ncn1 ZINC001204277928 800199375 /nfs/dbraw/zinc/19/93/75/800199375.db2.gz PKKWLQQYPGSIOM-OAHLLOKOSA-N 1 1 315.373 2.240 20 10 DECDMO OC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3ccc(N4CCCC4)cc3)[C@H]2C1 ZINC001204323851 800204306 /nfs/dbraw/zinc/20/43/06/800204306.db2.gz JHRBBNBPWHLNFB-WDSOQIARSA-N 1 1 316.445 2.259 20 10 DECDMO c1cc(N2CCCC2)ccc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC001204323325 800204486 /nfs/dbraw/zinc/20/44/86/800204486.db2.gz GYQDMUUDGTXVFN-SFHVURJKSA-N 1 1 302.418 2.278 20 10 DECDMO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccc(N4CCCC4)cc3)[C@H]2C1 ZINC001204323855 800204521 /nfs/dbraw/zinc/20/45/21/800204521.db2.gz JHRBBNBPWHLNFB-YTQUADARSA-N 1 1 316.445 2.259 20 10 DECDMO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC000934941402 800505544 /nfs/dbraw/zinc/50/55/44/800505544.db2.gz XJPPJKVWKXJGAW-SWLSCSKDSA-N 1 1 306.406 2.451 20 10 DECDMO COc1cncc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001206999432 800651908 /nfs/dbraw/zinc/65/19/08/800651908.db2.gz YKAHZNLDGTWNHE-UHFFFAOYSA-N 1 1 300.358 2.450 20 10 DECDMO COc1cncc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001206999432 800651912 /nfs/dbraw/zinc/65/19/12/800651912.db2.gz YKAHZNLDGTWNHE-UHFFFAOYSA-N 1 1 300.358 2.450 20 10 DECDMO COc1cc(C[NH2+][C@@H](CO)c2ncc[nH]2)c(O)c(C(C)(C)C)c1 ZINC001207664885 800801394 /nfs/dbraw/zinc/80/13/94/800801394.db2.gz CCVZVKVTDRKGSR-AWEZNQCLSA-N 1 1 319.405 2.245 20 10 DECDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC001209517047 801205859 /nfs/dbraw/zinc/20/58/59/801205859.db2.gz XAQMLSZEZCIJBD-MJGOQNOKSA-N 1 1 314.429 2.269 20 10 DECDMO C[N@H+](C1CC1)C1CC[NH+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231566274 801688428 /nfs/dbraw/zinc/68/84/28/801688428.db2.gz WANUCFVZJAPLEY-UHFFFAOYSA-N 1 1 304.390 2.149 20 10 DECDMO C[N@@H+](C1CC1)C1CC[NH+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231566274 801688429 /nfs/dbraw/zinc/68/84/29/801688429.db2.gz WANUCFVZJAPLEY-UHFFFAOYSA-N 1 1 304.390 2.149 20 10 DECDMO COc1cc(C[N@@H+]2CCc3nc(C)sc3C2)c(O)cc1O ZINC001231636439 801700601 /nfs/dbraw/zinc/70/06/01/801700601.db2.gz VSDZAFJSQKXCGU-UHFFFAOYSA-N 1 1 306.387 2.430 20 10 DECDMO COc1cc(C[N@H+]2CCc3nc(C)sc3C2)c(O)cc1O ZINC001231636439 801700609 /nfs/dbraw/zinc/70/06/09/801700609.db2.gz VSDZAFJSQKXCGU-UHFFFAOYSA-N 1 1 306.387 2.430 20 10 DECDMO COc1cc(CN2CC[N@@H+](C)CC23CCCC3)c(O)cc1O ZINC001231639217 801701517 /nfs/dbraw/zinc/70/15/17/801701517.db2.gz FRHVNFOSPHXIOZ-UHFFFAOYSA-N 1 1 306.406 2.167 20 10 DECDMO COc1cc(C[N@@H+]2CCN(C)CC23CCCC3)c(O)cc1O ZINC001231639217 801701524 /nfs/dbraw/zinc/70/15/24/801701524.db2.gz FRHVNFOSPHXIOZ-UHFFFAOYSA-N 1 1 306.406 2.167 20 10 DECDMO COc1cc(C[N@H+]2CCN(C)CC23CCCC3)c(O)cc1O ZINC001231639217 801701528 /nfs/dbraw/zinc/70/15/28/801701528.db2.gz FRHVNFOSPHXIOZ-UHFFFAOYSA-N 1 1 306.406 2.167 20 10 DECDMO CCOC(=O)C1=C(O)CC[N@@H+](Cc2c(C)cc(C)cc2O)CC1 ZINC001231845736 801735570 /nfs/dbraw/zinc/73/55/70/801735570.db2.gz RLUQHQDZBHBRFG-CQSZACIVSA-N 1 1 319.401 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DECDMO OC[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC001621248708 1078171305 /nfs/dbraw/zinc/17/13/05/1078171305.db2.gz JWOOQVRORVHBJO-CYBMUJFWSA-N 1 1 309.312 2.069 20 10 DECDMO COc1cncc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1C ZINC001579321683 1067304729 /nfs/dbraw/zinc/30/47/29/1067304729.db2.gz MYOYJXRQHXMHRS-KRWDZBQOSA-N 1 1 314.433 2.254 20 10 DECDMO CC(C)(O)[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC001559634882 1075127256 /nfs/dbraw/zinc/12/72/56/1075127256.db2.gz CCMGBLXIUSLQDA-INIZCTEOSA-N 1 1 305.374 2.119 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c(O)c1 ZINC001560649562 1075144670 /nfs/dbraw/zinc/14/46/70/1075144670.db2.gz MZKHMBDSIUSJKX-DLBZAZTESA-N 1 1 307.390 2.089 20 10 DECDMO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC001560645901 1075144698 /nfs/dbraw/zinc/14/46/98/1075144698.db2.gz IRABYCJXSCUNNQ-OAHLLOKOSA-N 1 1 310.825 2.342 20 10 DECDMO Oc1cc(F)c(F)cc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC001560863633 1075146887 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CCN(CC)c1ccc(CNC[C@H]2C[N@H+](C)CCN2C)cc1F ZINC001657208343 1080164575 /nfs/dbraw/zinc/16/45/75/1080164575.db2.gz LBJHRNMJYYGBFM-INIZCTEOSA-N 1 1 322.472 2.007 20 10 DECDMO CCN(CC)c1ccc(CNC[C@H]2C[N@@H+](C)CCN2C)cc1F ZINC001657208343 1080164579 /nfs/dbraw/zinc/16/45/79/1080164579.db2.gz LBJHRNMJYYGBFM-INIZCTEOSA-N 1 1 322.472 2.007 20 10 DECDMO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(OC)cc2O)s1 ZINC001657896762 1080188420 /nfs/dbraw/zinc/18/84/20/1080188420.db2.gz GRPRRLAWYQCZLY-SECBINFHSA-N 1 1 322.386 2.495 20 10 DECDMO Oc1cc(Cl)ccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001658591866 1080211707 /nfs/dbraw/zinc/21/17/07/1080211707.db2.gz MPVFSBPIPNKWCP-OAHLLOKOSA-N 1 1 310.825 2.077 20 10 DECDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1c(C)cc(OC)cc1O)C2 ZINC001658815143 1080218548 /nfs/dbraw/zinc/21/85/48/1080218548.db2.gz BRQIBBPJDOEYNZ-UGSOOPFHSA-N 1 1 319.401 2.484 20 10 DECDMO COCC1(C[NH2+]Cc2cc(F)c(F)cc2O)CCOCC1 ZINC001659941902 1080256751 /nfs/dbraw/zinc/25/67/51/1080256751.db2.gz 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DECDMO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cccc(Br)c1O ZINC000130976032 684194789 /nfs/dbraw/zinc/19/47/89/684194789.db2.gz AAQNXZLLFORWPR-VVVCHXIZSA-N 1 1 320.252 2.354 20 10 DECDMO CC[NH+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000194170705 685058928 /nfs/dbraw/zinc/05/89/28/685058928.db2.gz PURAEDIJNDNXEA-UHFFFAOYSA-N 1 1 316.449 2.134 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1O ZINC000246084828 685122721 /nfs/dbraw/zinc/12/27/21/685122721.db2.gz CELWHRVOXYKBHQ-HIFRSBDPSA-N 1 1 309.431 2.416 20 10 DECDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[C@@H]1O ZINC000862332184 686277776 /nfs/dbraw/zinc/27/77/76/686277776.db2.gz GFIXLNKXONCKIR-SKDRFNHKSA-N 1 1 300.196 2.357 20 10 DECDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)[C@H]1C ZINC000862337955 686278783 /nfs/dbraw/zinc/27/87/83/686278783.db2.gz DQBHZXWLQCPPJF-JQWIXIFHSA-N 1 1 312.360 2.414 20 10 DECDMO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(F)c(N(C)C)cc1F ZINC000862387642 686289491 /nfs/dbraw/zinc/28/94/91/686289491.db2.gz 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C[NH+](C)[C@H](CNC(=O)N1Cc2cccc(O)c2C1)c1ccco1 ZINC000874995851 689555635 /nfs/dbraw/zinc/55/56/35/689555635.db2.gz VBLCKOSDCAYYHP-CQSZACIVSA-N 1 1 315.373 2.313 20 10 DECDMO C[C@H]1CCC[N@@H+](CCNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875073870 689567215 /nfs/dbraw/zinc/56/72/15/689567215.db2.gz OHONTUKQUQUNLA-ZDUSSCGKSA-N 1 1 303.406 2.149 20 10 DECDMO COc1cc(C(=O)N[C@@H]2CCCC[N@H+](C(C)C)C2)cc(OC)n1 ZINC001034288307 689796676 /nfs/dbraw/zinc/79/66/76/689796676.db2.gz IMPVZSVMPGLLAJ-CQSZACIVSA-N 1 1 321.421 2.092 20 10 DECDMO CO[C@@]1(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCOC1 ZINC000876531652 689849278 /nfs/dbraw/zinc/84/92/78/689849278.db2.gz LJPDGERTBSKXGI-SJLPKXTDSA-N 1 1 321.417 2.179 20 10 DECDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876749830 689926345 /nfs/dbraw/zinc/92/63/45/689926345.db2.gz NABQMBKMFKIMIJ-MAUKXSAKSA-N 1 1 318.461 2.383 20 10 DECDMO CN(C)c1ccc(C[NH2+]Cc2cc3c(cn2)OCCO3)cc1F ZINC000876989108 689991894 /nfs/dbraw/zinc/99/18/94/689991894.db2.gz 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c1c(C[N@H+]2CCC3(C2)OCCO3)cc2c3c1CCCN3CCC2 ZINC001141076067 796632780 /nfs/dbraw/zinc/63/27/80/796632780.db2.gz LOFSKGWQBGUXOA-UHFFFAOYSA-N 1 1 314.429 2.334 20 10 DECDMO CC[N@H+](CCN1CCCC1)Cc1ccc2c(c1)OCCN2C ZINC001141142798 796638634 /nfs/dbraw/zinc/63/86/34/796638634.db2.gz BLGYDUCIRHDQTL-UHFFFAOYSA-N 1 1 303.450 2.433 20 10 DECDMO CC[N@@H+](CCN1CCCC1)Cc1ccc2c(c1)OCCN2C ZINC001141142798 796638638 /nfs/dbraw/zinc/63/86/38/796638638.db2.gz BLGYDUCIRHDQTL-UHFFFAOYSA-N 1 1 303.450 2.433 20 10 DECDMO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2O)C[C@@]1(O)C(F)(F)F ZINC001141156775 796641824 /nfs/dbraw/zinc/64/18/24/796641824.db2.gz URURVLDPJVJTMV-RNCFNFMXSA-N 1 1 305.296 2.233 20 10 DECDMO O=C([C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1)N1CCCCC1 ZINC001141159033 796642017 /nfs/dbraw/zinc/64/20/17/796642017.db2.gz WTMBQWZVMXRJIE-CQSZACIVSA-N 1 1 318.417 2.322 20 10 DECDMO Cc1cccc(O[C@H]2CC[N@@H+](Cc3cc(O)ccc3O)C2)n1 ZINC001141162875 796642757 /nfs/dbraw/zinc/64/27/57/796642757.db2.gz IPZCKSXFYRLGOA-HNNXBMFYSA-N 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ZINC001231548493 801684786 /nfs/dbraw/zinc/68/47/86/801684786.db2.gz TUUZYOIFZPNIRL-UHFFFAOYSA-N 1 1 316.195 2.386 20 10 DECDMO COc1ccc(Br)c(C[N@H+]2CCCOCC2)c1O ZINC001231548493 801684787 /nfs/dbraw/zinc/68/47/87/801684787.db2.gz TUUZYOIFZPNIRL-UHFFFAOYSA-N 1 1 316.195 2.386 20 10 DECDMO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001231853358 801736686 /nfs/dbraw/zinc/73/66/86/801736686.db2.gz JEFWDJDBFSNIEN-MRXNPFEDSA-N 1 1 315.421 2.190 20 10 DECDMO COc1cc(N(C)C)ccc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001231851937 801737096 /nfs/dbraw/zinc/73/70/96/801737096.db2.gz JPBXVHJGZRGUFC-QGZVFWFLSA-N 1 1 303.450 2.431 20 10 DECDMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001231913522 801749499 /nfs/dbraw/zinc/74/94/99/801749499.db2.gz LGMSFDOLPRRFMJ-LBPRGKRZSA-N 1 1 305.765 2.489 20 10 DECDMO C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)CC1COC1 ZINC001232200361 801814638 /nfs/dbraw/zinc/81/46/38/801814638.db2.gz UOCLGMRLGLTVBC-UHFFFAOYSA-N 1 1 310.825 2.255 20 10 DECDMO COC[C@@H]1CC[N@@H+]1Cc1cc(Br)c(OC)cc1O ZINC001233143054 802034221 /nfs/dbraw/zinc/03/42/21/802034221.db2.gz VGQUYAHLCIYBLK-JTQLQIEISA-N 1 1 316.195 2.384 20 10 DECDMO COC[C@@H]1CC[N@H+]1Cc1cc(Br)c(OC)cc1O ZINC001233143054 802034226 /nfs/dbraw/zinc/03/42/26/802034226.db2.gz VGQUYAHLCIYBLK-JTQLQIEISA-N 1 1 316.195 2.384 20 10 DECDMO CCOC(=O)c1c(C[NH+]2CC3(COC3)C2)c2ccccc2n1C ZINC001233270163 802060036 /nfs/dbraw/zinc/06/00/36/802060036.db2.gz CQZAYFCSCWDUKP-UHFFFAOYSA-N 1 1 314.385 2.187 20 10 DECDMO C[N@@H+](CCN1CCOCC1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415541 802112126 /nfs/dbraw/zinc/11/21/26/802112126.db2.gz AGZXTDQOEZWUPN-UHFFFAOYSA-N 1 1 318.339 2.175 20 10 DECDMO C[N@H+](CCN1CCOCC1)Cc1cccc(C(F)(F)F)c1O ZINC001233415541 802112132 /nfs/dbraw/zinc/11/21/32/802112132.db2.gz AGZXTDQOEZWUPN-UHFFFAOYSA-N 1 1 318.339 2.175 20 10 DECDMO C[N@@H+](CCN1CCOCC1)Cc1cccc(C(F)(F)F)c1O ZINC001233415541 802112135 /nfs/dbraw/zinc/11/21/35/802112135.db2.gz AGZXTDQOEZWUPN-UHFFFAOYSA-N 1 1 318.339 2.175 20 10 DECDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233486264 802127863 /nfs/dbraw/zinc/12/78/63/802127863.db2.gz FUXJFERGGXCZHY-GFCCVEGCSA-N 1 1 323.389 2.500 20 10 DECDMO Cc1cccc(O[C@H]2CC[N@@H+](Cc3cc(O)c(O)cc3O)C2)n1 ZINC001233487820 802128547 /nfs/dbraw/zinc/12/85/47/802128547.db2.gz SYDBSZQLESXUDI-ZDUSSCGKSA-N 1 1 316.357 2.160 20 10 DECDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233727632 802191298 /nfs/dbraw/zinc/19/12/98/802191298.db2.gz NOQZCGKLXHYQLB-SNVBAGLBSA-N 1 1 319.279 2.286 20 10 DECDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](F)[C@H](O)C3)c2c1 ZINC001234525858 802403592 /nfs/dbraw/zinc/40/35/92/802403592.db2.gz LSWVQBLWLAMMQK-NVXWUHKLSA-N 1 1 305.349 2.459 20 10 DECDMO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001331579810 1149541344 /nfs/dbraw/zinc/54/13/44/1149541344.db2.gz AECZCBDHOAFLSO-RRFJBIMHSA-N 1 1 301.434 2.384 20 10 DECDMO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001331579810 1149541356 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DECDMO C[NH+](C)[C@@H](C(=O)NCc1cccc(O)c1O)c1ccccc1 ZINC001637046392 1078500650 /nfs/dbraw/zinc/50/06/50/1078500650.db2.gz QSORUEBNXBNSOU-OAHLLOKOSA-N 1 1 300.358 2.017 20 10 DECDMO CC(C)CN1CC[C@]2(CC[N@@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001272386830 1078845273 /nfs/dbraw/zinc/84/52/73/1078845273.db2.gz RISITEADCQWKCT-SFHVURJKSA-N 1 1 318.417 2.178 20 10 DECDMO COc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)c1 ZINC001548671893 1072785760 /nfs/dbraw/zinc/78/57/60/1072785760.db2.gz SIBMHNFMAPVDGB-NFAWXSAZSA-N 1 1 318.417 2.137 20 10 DECDMO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC001580708248 1075979626 /nfs/dbraw/zinc/97/96/26/1075979626.db2.gz KPWQWCUWTHBAKT-WRWORJQWSA-N 1 1 321.179 2.263 20 10 DECDMO C[C@@H]1CN(Cc2cc(F)cc(Br)c2O)C[C@@H](C)[NH2+]1 ZINC001236580152 1079571161 /nfs/dbraw/zinc/57/11/61/1079571161.db2.gz QQMCTQBHMRWBBR-RKDXNWHRSA-N 1 1 317.202 2.476 20 10 DECDMO O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2ccc3c(c2)CCO3)CC1 ZINC001650764132 1079772653 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COc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c(O)c1OC ZINC000893173875 625188108 /nfs/dbraw/zinc/18/81/08/625188108.db2.gz RJDAGLFTXIUSTN-LBPRGKRZSA-N 1 1 303.362 2.300 20 10 DECDMO CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698651 634452837 /nfs/dbraw/zinc/45/28/37/634452837.db2.gz OGIZLYFKOPMLPB-CQSZACIVSA-N 1 1 317.393 2.405 20 10 DECDMO COc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c(O)c1OC ZINC000893409499 633510665 /nfs/dbraw/zinc/51/06/65/633510665.db2.gz RSPREDCOVPJCRF-OCCSQVGLSA-N 1 1 309.406 2.392 20 10 DECDMO C[C@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2O)C[N@H+]1C1CC1 ZINC000893536833 634216076 /nfs/dbraw/zinc/21/60/76/634216076.db2.gz MBPQHRAGERNYTK-CMPLNLGQSA-N 1 1 323.824 2.470 20 10 DECDMO COc1ccc(C[N@@H+](C)CCc2ccccn2)c(O)c1OC ZINC000893538863 634241226 /nfs/dbraw/zinc/24/12/26/634241226.db2.gz AMKVIJKXGNSQEY-UHFFFAOYSA-N 1 1 302.374 2.479 20 10 DECDMO CN(C)C(=O)[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000840957968 635729915 /nfs/dbraw/zinc/72/99/15/635729915.db2.gz 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/nfs/dbraw/zinc/70/57/79/637705779.db2.gz ULBZGAHSKPRSGF-MRXNPFEDSA-N 1 1 316.405 2.185 20 10 DECDMO CCC[N@@H+](Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000840910339 650378059 /nfs/dbraw/zinc/37/80/59/650378059.db2.gz QZQWOTNKXJBVHR-QGZVFWFLSA-N 1 1 324.490 2.460 20 10 DECDMO C[C@@](CO)([NH2+]Cc1cc(F)cc(F)c1O)c1cccc(O)c1 ZINC000895389508 637993655 /nfs/dbraw/zinc/99/36/55/637993655.db2.gz PCHYTBOMUDAASP-INIZCTEOSA-N 1 1 309.312 2.373 20 10 DECDMO CN(C)c1ccc(CN(C)C(=O)[C@@]23CC[N@@H+](C2)CCC3)cc1 ZINC000895485264 638054017 /nfs/dbraw/zinc/05/40/17/638054017.db2.gz OFPDJQYSYMYYCX-SFHVURJKSA-N 1 1 301.434 2.197 20 10 DECDMO CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000742745201 638092336 /nfs/dbraw/zinc/09/23/36/638092336.db2.gz IXVGEKPBJILYLZ-MRXNPFEDSA-N 1 1 318.465 2.282 20 10 DECDMO COCC[C@@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000840955872 650394472 /nfs/dbraw/zinc/39/44/72/650394472.db2.gz ZCUSAYMONQUJEE-MRXNPFEDSA-N 1 1 305.466 2.201 20 10 DECDMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@@H](O)C(C)C ZINC000840967582 650396325 /nfs/dbraw/zinc/39/63/25/650396325.db2.gz IBPRFIONANZTTP-MOPGFXCFSA-N 1 1 319.493 2.324 20 10 DECDMO COC1([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCC1 ZINC000840969282 650397000 /nfs/dbraw/zinc/39/70/00/650397000.db2.gz DNBWRAQIIPYFFU-MRXNPFEDSA-N 1 1 317.477 2.486 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC000895722066 638166932 /nfs/dbraw/zinc/16/69/32/638166932.db2.gz RCHARZVONHZHTN-HNNXBMFYSA-N 1 1 321.417 2.154 20 10 DECDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840975979 650398675 /nfs/dbraw/zinc/39/86/75/650398675.db2.gz BZINCAOWEGOBEO-OAHLLOKOSA-N 1 1 322.474 2.399 20 10 DECDMO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000895928978 638270777 /nfs/dbraw/zinc/27/07/77/638270777.db2.gz WREKOUOBBVWKOV-VQIMIIECSA-N 1 1 317.477 2.438 20 10 DECDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000895928978 638270781 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303.156 2.253 20 10 DECDMO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)CN1CCCC1 ZINC000863558073 686522117 /nfs/dbraw/zinc/52/21/17/686522117.db2.gz VMDMBCBRVXUKDF-APWZRJJASA-N 1 1 319.493 2.038 20 10 DECDMO CN(C)c1ccc(CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1 ZINC000866097731 687444013 /nfs/dbraw/zinc/44/40/13/687444013.db2.gz LYMLELZBFXVCSC-UHFFFAOYSA-N 1 1 318.465 2.378 20 10 DECDMO C[C@H](NC(=O)NCc1c[nH+]c2n1CCCC2)c1ccccc1O ZINC000868589865 688069865 /nfs/dbraw/zinc/06/98/65/688069865.db2.gz BOWCZTZUOOLVNB-LBPRGKRZSA-N 1 1 314.389 2.485 20 10 DECDMO CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001018325127 688110203 /nfs/dbraw/zinc/11/02/03/688110203.db2.gz NJYKUVKYSSVOCJ-OKILXGFUSA-N 1 1 315.377 2.158 20 10 DECDMO CN1CCCC[C@@H]([N@@H+](C)Cc2c(O)ccc3ccncc32)C1=O ZINC000872674280 689062773 /nfs/dbraw/zinc/06/27/73/689062773.db2.gz PTNOQZBLZLIJHJ-MRXNPFEDSA-N 1 1 313.401 2.383 20 10 DECDMO CCN(CC)C(=O)N1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876577086 689863689 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ZINC000877691315 690192087 /nfs/dbraw/zinc/19/20/87/690192087.db2.gz MOOFAAWLSCZDIR-UHFFFAOYSA-N 1 1 312.417 2.460 20 10 DECDMO Cc1[nH+]ccn1CCCn1cc(COc2ccc(N)cc2)nn1 ZINC000881360353 691080244 /nfs/dbraw/zinc/08/02/44/691080244.db2.gz MABZTRKJIGTSCB-UHFFFAOYSA-N 1 1 312.377 2.035 20 10 DECDMO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000882899951 691382909 /nfs/dbraw/zinc/38/29/09/691382909.db2.gz ZYABAWRVVFXBPA-CYBMUJFWSA-N 1 1 320.343 2.219 20 10 DECDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@@]1(C)CCCO1 ZINC000883290418 691473568 /nfs/dbraw/zinc/47/35/68/691473568.db2.gz UKSYKIANVWYNII-VQIMIIECSA-N 1 1 317.477 2.486 20 10 DECDMO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883289173 691473729 /nfs/dbraw/zinc/47/37/29/691473729.db2.gz GSCGICNKMKUKQU-AWEZNQCLSA-N 1 1 313.449 2.321 20 10 DECDMO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000883298345 691476440 /nfs/dbraw/zinc/47/64/40/691476440.db2.gz PRINJTHHSSDVRK-SECBINFHSA-N 1 1 321.801 2.242 20 10 DECDMO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1c(O)cccc1F ZINC000886548223 692106571 /nfs/dbraw/zinc/10/65/71/692106571.db2.gz ZIVMFTYKOQEUBB-PSASIEDQSA-N 1 1 320.286 2.345 20 10 DECDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)C1(S(C)(=O)=O)CC1 ZINC000886609198 692131542 /nfs/dbraw/zinc/13/15/42/692131542.db2.gz OCKLOJFEJQNNJY-VHSXEESVSA-N 1 1 301.383 2.148 20 10 DECDMO C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000894378083 692984068 /nfs/dbraw/zinc/98/40/68/692984068.db2.gz LLEXUNAFYARZGQ-UHFFFAOYSA-N 1 1 311.857 2.163 20 10 DECDMO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000925322761 693256277 /nfs/dbraw/zinc/25/62/77/693256277.db2.gz BNYDRIGXNFVEQR-UKRRQHHQSA-N 1 1 305.422 2.406 20 10 DECDMO CC1(C)CCC[N@H+]1CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001348022026 1151114615 /nfs/dbraw/zinc/11/46/15/1151114615.db2.gz YALMLIHYISCLDT-ALCCZGGFSA-N 1 1 304.390 2.102 20 10 DECDMO C[C@H](NC(=O)CC[N@H+]1CC[C@H](F)C1)c1ccc(N(C)C)cc1 ZINC001447965021 1184981661 /nfs/dbraw/zinc/98/16/61/1184981661.db2.gz DIHWYVGAMOFWFU-ZFWWWQNUSA-N 1 1 307.413 2.364 20 10 DECDMO Cc1nccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1F ZINC001167436905 777042245 /nfs/dbraw/zinc/04/22/45/777042245.db2.gz GIIRLROFFLDJKG-UHFFFAOYSA-N 1 1 314.408 2.315 20 10 DECDMO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000948073642 783311751 /nfs/dbraw/zinc/31/17/51/783311751.db2.gz LTHUWGVRLXMXEG-BXUZGUMPSA-N 1 1 317.393 2.452 20 10 DECDMO COC(=O)c1cc2[nH]cnc2c(NCc2ccc(O)c(O)c2)c1 ZINC001169994762 785828658 /nfs/dbraw/zinc/82/86/58/785828658.db2.gz GZXPVBOYHMMMSD-UHFFFAOYSA-N 1 1 313.313 2.373 20 10 DECDMO Cc1cc(NCc2ccc(O)c(O)c2)c[nH+]c1N1CCOCC1 ZINC001169995271 785831959 /nfs/dbraw/zinc/83/19/59/785831959.db2.gz WZMBTGVATMSVEM-UHFFFAOYSA-N 1 1 315.373 2.250 20 10 DECDMO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001135800630 789502102 /nfs/dbraw/zinc/50/21/02/789502102.db2.gz KCWRAZKMUCBHRD-QGZVFWFLSA-N 1 1 301.434 2.339 20 10 DECDMO CN(C)c1ccc(/C=C/C(=O)N[C@@]2(C)CCC[N@@H+](C)C2)cc1 ZINC001180130375 795238718 /nfs/dbraw/zinc/23/87/18/795238718.db2.gz LDIQVPPZKOETCK-MZEUMTGBSA-N 1 1 301.434 2.366 20 10 DECDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180125569 795245701 /nfs/dbraw/zinc/24/57/01/795245701.db2.gz IXVQIKBRKSTXRE-QBKVNLCDSA-N 1 1 301.434 2.317 20 10 DECDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1ccc(N)cc1 ZINC001120677695 795512134 /nfs/dbraw/zinc/51/21/34/795512134.db2.gz XCCLBRGZKXFUPO-MRXNPFEDSA-N 1 1 304.438 2.285 20 10 DECDMO CC(C)[N@H+]1CC[C@H](C(=O)N2CCCc3cc(O)c(O)cc3C2)C1 ZINC001181976431 795586562 /nfs/dbraw/zinc/58/65/62/795586562.db2.gz HVZDVIXYVZIWJF-AWEZNQCLSA-N 1 1 318.417 2.103 20 10 DECDMO O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1=CC(=O)CS1 ZINC001123934095 796003889 /nfs/dbraw/zinc/00/38/89/796003889.db2.gz RNOGATWIHYCTQE-JSGCOSHPSA-N 1 1 324.446 2.075 20 10 DECDMO Oc1cccc(F)c1C[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001137834719 796144541 /nfs/dbraw/zinc/14/45/41/796144541.db2.gz QQXNKCOQIVKBFJ-QGZVFWFLSA-N 1 1 314.364 2.176 20 10 DECDMO Oc1cccc(F)c1C[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001137834719 796144545 /nfs/dbraw/zinc/14/45/45/796144545.db2.gz QQXNKCOQIVKBFJ-QGZVFWFLSA-N 1 1 314.364 2.176 20 10 DECDMO Oc1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001137841678 796145202 /nfs/dbraw/zinc/14/52/02/796145202.db2.gz POHAFYYJBACLLG-LLVKDONJSA-N 1 1 307.300 2.114 20 10 DECDMO Oc1cccc(F)c1C[N@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001137841678 796145206 /nfs/dbraw/zinc/14/52/06/796145206.db2.gz POHAFYYJBACLLG-LLVKDONJSA-N 1 1 307.300 2.114 20 10 DECDMO Oc1cccc(F)c1C[N@@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001137841851 796145432 /nfs/dbraw/zinc/14/54/32/796145432.db2.gz XNZGGDNGWHOFMA-GFCCVEGCSA-N 1 1 303.337 2.365 20 10 DECDMO Oc1cccc(F)c1C[N@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001137841851 796145434 /nfs/dbraw/zinc/14/54/34/796145434.db2.gz XNZGGDNGWHOFMA-GFCCVEGCSA-N 1 1 303.337 2.365 20 10 DECDMO Oc1c(F)cccc1C[N@@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001138127703 796167053 /nfs/dbraw/zinc/16/70/53/796167053.db2.gz NEQGZGVSQXCYRB-NUEKZKHPSA-N 1 1 307.365 2.157 20 10 DECDMO Oc1c(F)cccc1C[N@H+]1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001138127703 796167058 /nfs/dbraw/zinc/16/70/58/796167058.db2.gz NEQGZGVSQXCYRB-NUEKZKHPSA-N 1 1 307.365 2.157 20 10 DECDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001138125073 796167708 /nfs/dbraw/zinc/16/77/08/796167708.db2.gz IJXJTFQMFKTNRI-QGZVFWFLSA-N 1 1 314.364 2.176 20 10 DECDMO Oc1c(F)cccc1C[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001138125073 796167710 /nfs/dbraw/zinc/16/77/10/796167710.db2.gz IJXJTFQMFKTNRI-QGZVFWFLSA-N 1 1 314.364 2.176 20 10 DECDMO Oc1c(C[N@@H+](C2CC2)C2COC2)cc2c3c1CCCN3CCC2 ZINC001138339423 796200647 /nfs/dbraw/zinc/20/06/47/796200647.db2.gz FLIYNOVKOAHMRE-UHFFFAOYSA-N 1 1 314.429 2.454 20 10 DECDMO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357471 796203882 /nfs/dbraw/zinc/20/38/82/796203882.db2.gz FXOABDGAQZKBAN-QGZVFWFLSA-N 1 1 301.434 2.170 20 10 DECDMO COc1cc(CN2CCCC3(COC3)C2)cc(C[NH+](C)C)c1O ZINC001139256139 796350397 /nfs/dbraw/zinc/35/03/97/796350397.db2.gz UXWMHODXXYSOBZ-UHFFFAOYSA-N 1 1 320.433 2.075 20 10 DECDMO C[NH+]1CCN(c2ccc(CN3C[C@@H]4C[C@@H]4[C@@H](F)C3)cc2)CC1 ZINC001139408388 796373087 /nfs/dbraw/zinc/37/30/87/796373087.db2.gz LEAQATPSSMOCJN-SZMVWBNQSA-N 1 1 303.425 2.228 20 10 DECDMO CC[N@H+]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140281511 796500963 /nfs/dbraw/zinc/50/09/63/796500963.db2.gz HXPOYTRTRYYHKP-UHFFFAOYSA-N 1 1 317.477 2.175 20 10 DECDMO CCN1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140281511 796500966 /nfs/dbraw/zinc/50/09/66/796500966.db2.gz HXPOYTRTRYYHKP-UHFFFAOYSA-N 1 1 317.477 2.175 20 10 DECDMO CCN1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001140281511 796500968 /nfs/dbraw/zinc/50/09/68/796500968.db2.gz HXPOYTRTRYYHKP-UHFFFAOYSA-N 1 1 317.477 2.175 20 10 DECDMO OC1CCN(c2ccc(C[N@H+]3C[C@H]4[C@H](CF)[C@H]4C3)cc2)CC1 ZINC001140287053 796502726 /nfs/dbraw/zinc/50/27/26/796502726.db2.gz DXWHRVOZGOWJFG-NNZMDNLPSA-N 1 1 304.409 2.295 20 10 DECDMO O=C1[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@H]2CN1CC1CC1 ZINC001140339565 796509059 /nfs/dbraw/zinc/50/90/59/796509059.db2.gz XOAOFSFJDVRSEY-STQMWFEESA-N 1 1 320.820 2.346 20 10 DECDMO CCOC(=O)N1CCC([N@@H+](C)Cc2ccc(O)c(C)c2O)CC1 ZINC001140749063 796567290 /nfs/dbraw/zinc/56/72/90/796567290.db2.gz PXQBUKPDSFMPFT-UHFFFAOYSA-N 1 1 322.405 2.459 20 10 DECDMO CCN(CC)c1ccc(C[NH+]2CC(OCCOC)C2)c(O)c1 ZINC001140855895 796584368 /nfs/dbraw/zinc/58/43/68/796584368.db2.gz DOXCXOFVGIGAQJ-UHFFFAOYSA-N 1 1 308.422 2.086 20 10 DECDMO CC[N@@H+](Cc1ccccc1O)Cc1c(CO)cnc(C)c1O ZINC001140870319 796587106 /nfs/dbraw/zinc/58/71/06/796587106.db2.gz LRRDVBFCANQNPM-UHFFFAOYSA-N 1 1 302.374 2.316 20 10 DECDMO COc1cc(O)c(C[N@H+]2CCC[C@](C)(CO)CC2)c(OC)c1 ZINC001141031961 796621746 /nfs/dbraw/zinc/62/17/46/796621746.db2.gz OOUQRSVXVYNLOS-KRWDZBQOSA-N 1 1 309.406 2.394 20 10 DECDMO COc1cc(O)c(CN2CC[N@@H+](C(C)C)[C@@H](C)C2)c(OC)c1 ZINC001141032468 796621972 /nfs/dbraw/zinc/62/19/72/796621972.db2.gz DJPOCOLJIFUUID-ZDUSSCGKSA-N 1 1 308.422 2.324 20 10 DECDMO OC[C@]1(F)CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074912 796632141 /nfs/dbraw/zinc/63/21/41/796632141.db2.gz WPSJBQPVISBZQS-SFHVURJKSA-N 1 1 304.409 2.292 20 10 DECDMO CN1CCOc2cc(CN3CC[N@H+]4CCCC[C@H]4C3)ccc21 ZINC001141143353 796639006 /nfs/dbraw/zinc/63/90/06/796639006.db2.gz VXRUIIUWKLYKKY-INIZCTEOSA-N 1 1 301.434 2.185 20 10 DECDMO CN1CCOc2cc(CN3CC4(C3)CC[NH+](C)CC4)ccc21 ZINC001141145264 796639751 /nfs/dbraw/zinc/63/97/51/796639751.db2.gz SMKZSUHBPWKJCE-UHFFFAOYSA-N 1 1 301.434 2.043 20 10 DECDMO Oc1ccc(O)c(C[N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c1 ZINC001141158849 796642249 /nfs/dbraw/zinc/64/22/49/796642249.db2.gz PAIKSHSJUHJGIV-WMZOPIPTSA-N 1 1 319.401 2.258 20 10 DECDMO CC[C@@H]1[N@@H+](Cc2cc(O)ccc2O)CCC[C@]12CCC(=O)N2C ZINC001141159751 796642263 /nfs/dbraw/zinc/64/22/63/796642263.db2.gz JZFNBXKGSPBHOP-WMZOPIPTSA-N 1 1 318.417 2.463 20 10 DECDMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(O)c([O-])c(Cl)c2)C1 ZINC001193612058 797592643 /nfs/dbraw/zinc/59/26/43/797592643.db2.gz LPRSOVAHSYDJEP-LLVKDONJSA-N 1 1 312.797 2.306 20 10 DECDMO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C1 ZINC001193612058 797592645 /nfs/dbraw/zinc/59/26/45/797592645.db2.gz LPRSOVAHSYDJEP-LLVKDONJSA-N 1 1 312.797 2.306 20 10 DECDMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C1 ZINC001193612058 797592649 /nfs/dbraw/zinc/59/26/49/797592649.db2.gz LPRSOVAHSYDJEP-LLVKDONJSA-N 1 1 312.797 2.306 20 10 DECDMO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCCO3)cc2)CC1 ZINC001199907419 798557813 /nfs/dbraw/zinc/55/78/13/798557813.db2.gz VOXAIPXFIQAYRI-GOSISDBHSA-N 1 1 303.450 2.097 20 10 DECDMO COc1cccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000123728463 799142854 /nfs/dbraw/zinc/14/28/54/799142854.db2.gz OPJRBEZSVUHLGX-MFKMUULPSA-N 1 1 305.296 2.288 20 10 DECDMO Oc1ccccc1C[N@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001203551936 800078245 /nfs/dbraw/zinc/07/82/45/800078245.db2.gz UFKJONMDPJNPQG-UHFFFAOYSA-N 1 1 324.428 2.383 20 10 DECDMO Cc1ccc(N2CC[C@@H]3C[N@@H+](Cc4ccccc4O)C[C@@H]3C2)nn1 ZINC001203552044 800078443 /nfs/dbraw/zinc/07/84/43/800078443.db2.gz YHRFPFQCFPMLJQ-NVXWUHKLSA-N 1 1 324.428 2.449 20 10 DECDMO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccccc2O)C1 ZINC001203552136 800079543 /nfs/dbraw/zinc/07/95/43/800079543.db2.gz BVMCZXYJABBKRN-AWEZNQCLSA-N 1 1 301.390 2.257 20 10 DECDMO COc1cccc(C[N@@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)c1O ZINC001203588997 800085361 /nfs/dbraw/zinc/08/53/61/800085361.db2.gz AMVAYDRWRXIAQB-INIZCTEOSA-N 1 1 324.380 2.414 20 10 DECDMO COc1cccc(C[N@H+]2CCN3C(=O)c4ccccc4[C@@H]3C2)c1O ZINC001203588997 800085369 /nfs/dbraw/zinc/08/53/69/800085369.db2.gz AMVAYDRWRXIAQB-INIZCTEOSA-N 1 1 324.380 2.414 20 10 DECDMO CC[C@H]1[N@@H+](Cc2cccc(OC)c2O)CCC[C@]12CCC(=O)N2 ZINC001203591328 800086196 /nfs/dbraw/zinc/08/61/96/800086196.db2.gz HMPBXSWRKSPJHC-QAPCUYQASA-N 1 1 318.417 2.424 20 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637374759 /nfs/dbraw/zinc/37/47/59/637374759.db2.gz MCGBJTRNKRXOEB-NSHDSACASA-N 1 1 321.375 2.447 20 10 DECDMO CN(Cc1ccccc1O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000838765274 637648268 /nfs/dbraw/zinc/64/82/68/637648268.db2.gz GPFKEKJWDPMDSG-CQSZACIVSA-N 1 1 305.422 2.266 20 10 DECDMO CN1CCN(c2ccc(C[N@@H+]3CCCCC[C@H]3CO)cc2)CC1 ZINC000895150033 637671418 /nfs/dbraw/zinc/67/14/18/637671418.db2.gz GJBGGUWJBSOZCF-IBGZPJMESA-N 1 1 317.477 2.175 20 10 DECDMO CN1CCN(c2ccc(C[N@H+]3CCCCC[C@H]3CO)cc2)CC1 ZINC000895150033 637671422 /nfs/dbraw/zinc/67/14/22/637671422.db2.gz GJBGGUWJBSOZCF-IBGZPJMESA-N 1 1 317.477 2.175 20 10 DECDMO CCC[N@H+](Cc1nc(C(=O)OCC)no1)Cc1ccccc1O ZINC000838859517 637682494 /nfs/dbraw/zinc/68/24/94/637682494.db2.gz KNRRNKZFARHIME-UHFFFAOYSA-N 1 1 319.361 2.364 20 10 DECDMO CCC[N@@H+](Cc1nc(C(=O)OCC)no1)Cc1ccccc1O ZINC000838859517 637682495 /nfs/dbraw/zinc/68/24/95/637682495.db2.gz KNRRNKZFARHIME-UHFFFAOYSA-N 1 1 319.361 2.364 20 10 DECDMO Cc1cc([O-])c(C[NH2+]CCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000840871839 650369601 /nfs/dbraw/zinc/36/96/01/650369601.db2.gz FWQLOKPSJVJLMJ-UHFFFAOYSA-N 1 1 311.857 2.081 20 10 DECDMO CCS(=O)(=O)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000840889682 650371931 /nfs/dbraw/zinc/37/19/31/650371931.db2.gz UXSSNNUAUWKAJP-SECBINFHSA-N 1 1 307.362 2.146 20 10 DECDMO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc(F)cc1O ZINC000840891601 650372164 /nfs/dbraw/zinc/37/21/64/650372164.db2.gz YLKLAPUIRRZFLZ-NSHDSACASA-N 1 1 315.410 2.397 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000840919998 650382092 /nfs/dbraw/zinc/38/20/92/650382092.db2.gz FRVDSEBEBMFKFI-INIZCTEOSA-N 1 1 303.406 2.088 20 10 DECDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000840978591 650398897 /nfs/dbraw/zinc/39/88/97/650398897.db2.gz ONUFSIWPYKASNB-GDBMZVCRSA-N 1 1 322.424 2.255 20 10 DECDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000841301673 650471380 /nfs/dbraw/zinc/47/13/80/650471380.db2.gz CRDRRSRQWLSREN-BETUJISGSA-N 1 1 320.437 2.278 20 10 DECDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000841301673 650471384 /nfs/dbraw/zinc/47/13/84/650471384.db2.gz CRDRRSRQWLSREN-BETUJISGSA-N 1 1 320.437 2.278 20 10 DECDMO CCO[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000897066906 639155353 /nfs/dbraw/zinc/15/53/53/639155353.db2.gz BKURYYLLMDMTHF-SFHVURJKSA-N 1 1 304.434 2.259 20 10 DECDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000752798317 639221696 /nfs/dbraw/zinc/22/16/96/639221696.db2.gz YNYMOEIHLFOUGE-CQSZACIVSA-N 1 1 323.400 2.444 20 10 DECDMO COc1cc(C[N@H+]2CC[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000754726770 639465157 /nfs/dbraw/zinc/46/51/57/639465157.db2.gz NJQCTWRAPFUUQB-NSHDSACASA-N 1 1 306.406 2.006 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1O ZINC000755791208 639589758 /nfs/dbraw/zinc/58/97/58/639589758.db2.gz PJFLIZWBIKIXMD-CYBMUJFWSA-N 1 1 301.390 2.432 20 10 DECDMO C[C@H]1C[C@@H]([NH2+]CCCN2CCN(C)CC2)c2c1c(F)ccc2O ZINC000756360391 639654215 /nfs/dbraw/zinc/65/42/15/639654215.db2.gz SQVHEBXCOKXHSR-DZGCQCFKSA-N 1 1 321.440 2.307 20 10 DECDMO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2O)cn1 ZINC000757913747 639894526 /nfs/dbraw/zinc/89/45/26/639894526.db2.gz RNWKTOROCGNCNU-UHFFFAOYSA-N 1 1 318.373 2.445 20 10 DECDMO COc1ccc(O)c([C@H](C)NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000761973508 640368240 /nfs/dbraw/zinc/36/82/40/640368240.db2.gz QWOXMEWJYGQOMX-XQQFMLRXSA-N 1 1 306.406 2.451 20 10 DECDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841890837 650594351 /nfs/dbraw/zinc/59/43/51/650594351.db2.gz KRIYITSSHHZVDH-INIZCTEOSA-N 1 1 318.465 2.231 20 10 DECDMO [NH3+][C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000841966352 650615265 /nfs/dbraw/zinc/61/52/65/650615265.db2.gz UOJQGJIMCVHWOB-NSHDSACASA-N 1 1 318.204 2.236 20 10 DECDMO COc1cccc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c1O ZINC000768252796 641063626 /nfs/dbraw/zinc/06/36/26/641063626.db2.gz QFHGMNSFDDJLCA-UHFFFAOYSA-N 1 1 320.433 2.481 20 10 DECDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769217910 641197082 /nfs/dbraw/zinc/19/70/82/641197082.db2.gz UOZOQDCMBVFRPC-CYBMUJFWSA-N 1 1 306.406 2.139 20 10 DECDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769217911 641197098 /nfs/dbraw/zinc/19/70/98/641197098.db2.gz UOZOQDCMBVFRPC-ZDUSSCGKSA-N 1 1 306.406 2.139 20 10 DECDMO CCN(CC)c1ccc(C[NH+]2CCN(CCCCO)CC2)cc1 ZINC000769394013 641231769 /nfs/dbraw/zinc/23/17/69/641231769.db2.gz HKBXBGMQQIVFBI-UHFFFAOYSA-N 1 1 319.493 2.423 20 10 DECDMO COc1cc(C[N@@H+]2CCO[C@@H](COC(C)C)C2)c(O)cc1C ZINC000769800634 641293054 /nfs/dbraw/zinc/29/30/54/641293054.db2.gz WXGBMPSYGAGDNH-OAHLLOKOSA-N 1 1 309.406 2.335 20 10 DECDMO COc1cc(C[N@H+]2CCO[C@@H](COC(C)C)C2)c(O)cc1C ZINC000769800634 641293059 /nfs/dbraw/zinc/29/30/59/641293059.db2.gz WXGBMPSYGAGDNH-OAHLLOKOSA-N 1 1 309.406 2.335 20 10 DECDMO CCC[C@H]1CN(Cc2c(O)cccc2OC)CC[N@H+]1CCOC ZINC000770284460 641353230 /nfs/dbraw/zinc/35/32/30/641353230.db2.gz RAHSNNIUKOKTRM-HNNXBMFYSA-N 1 1 322.449 2.334 20 10 DECDMO CCC[C@H]1C[N@H+](Cc2c(O)cccc2OC)CCN1CCOC ZINC000770284460 641353235 /nfs/dbraw/zinc/35/32/35/641353235.db2.gz RAHSNNIUKOKTRM-HNNXBMFYSA-N 1 1 322.449 2.334 20 10 DECDMO CCC[C@H]1C[N@@H+](Cc2c(O)cccc2OC)CCN1CCOC ZINC000770284460 641353238 /nfs/dbraw/zinc/35/32/38/641353238.db2.gz RAHSNNIUKOKTRM-HNNXBMFYSA-N 1 1 322.449 2.334 20 10 DECDMO CCN(C)c1ccc(C[N@H+](CC)[C@H](C)CS(C)(=O)=O)cc1 ZINC000773754413 641819968 /nfs/dbraw/zinc/81/99/68/641819968.db2.gz DDXBBECWAAUDTK-CQSZACIVSA-N 1 1 312.479 2.398 20 10 DECDMO CCN(C)c1ccc(C[N@@H+](CC)[C@H](C)CS(C)(=O)=O)cc1 ZINC000773754413 641819971 /nfs/dbraw/zinc/81/99/71/641819971.db2.gz DDXBBECWAAUDTK-CQSZACIVSA-N 1 1 312.479 2.398 20 10 DECDMO CCN(C)c1ccc(C[N@H+](CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000773765159 641822587 /nfs/dbraw/zinc/82/25/87/641822587.db2.gz HISIRLIBSSZLCD-INIZCTEOSA-N 1 1 310.463 2.152 20 10 DECDMO CCN(C)c1ccc(C[N@@H+](CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000773765159 641822592 /nfs/dbraw/zinc/82/25/92/641822592.db2.gz HISIRLIBSSZLCD-INIZCTEOSA-N 1 1 310.463 2.152 20 10 DECDMO COc1c(O)c(C[NH2+]Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000774990403 641991097 /nfs/dbraw/zinc/99/10/97/641991097.db2.gz TZMVMZSRAJHCFJ-UHFFFAOYSA-N 1 1 304.302 2.304 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@H]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000775049795 641999993 /nfs/dbraw/zinc/99/99/93/641999993.db2.gz DJNDJOZRFKXBDJ-QWRGUYRKSA-N 1 1 310.350 2.214 20 10 DECDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCO1 ZINC000775679145 642077896 /nfs/dbraw/zinc/07/78/96/642077896.db2.gz OHLPAQIXBBJFPQ-MRXNPFEDSA-N 1 1 303.450 2.049 20 10 DECDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CCCO1 ZINC000775679145 642077897 /nfs/dbraw/zinc/07/78/97/642077897.db2.gz OHLPAQIXBBJFPQ-MRXNPFEDSA-N 1 1 303.450 2.049 20 10 DECDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CCCO1 ZINC000775679145 642077904 /nfs/dbraw/zinc/07/79/04/642077904.db2.gz OHLPAQIXBBJFPQ-MRXNPFEDSA-N 1 1 303.450 2.049 20 10 DECDMO C[C@@H]([NH2+]Cc1nnnn1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000775837633 642103751 /nfs/dbraw/zinc/10/37/51/642103751.db2.gz NAYWMAXSKRKOGQ-GFCCVEGCSA-N 1 1 302.426 2.345 20 10 DECDMO C[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000776244312 642148742 /nfs/dbraw/zinc/14/87/42/642148742.db2.gz IMCZLTUMJKLRHR-CQSZACIVSA-N 1 1 316.449 2.303 20 10 DECDMO C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000777467641 642268834 /nfs/dbraw/zinc/26/88/34/642268834.db2.gz MFSQCWKOQMOZND-APWZRJJASA-N 1 1 317.477 2.295 20 10 DECDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCCOC1 ZINC000779986212 642568563 /nfs/dbraw/zinc/56/85/63/642568563.db2.gz MDUMTUMLDYBAOF-AEFFLSMTSA-N 1 1 317.477 2.343 20 10 DECDMO O=C(C1CC1)N1CCC[N@H+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000780473838 642629607 /nfs/dbraw/zinc/62/96/07/642629607.db2.gz RZFQDYCBLTUEDW-UHFFFAOYSA-N 1 1 314.429 2.325 20 10 DECDMO COC[C@H](C[NH2+]Cc1cc(C)cc(Br)c1O)OC ZINC000781638602 642772994 /nfs/dbraw/zinc/77/29/94/642772994.db2.gz MACZWJSGZIMVPQ-NSHDSACASA-N 1 1 318.211 2.214 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](c3cccnc3)C1)[C@H](O)CO2 ZINC000842625034 650786135 /nfs/dbraw/zinc/78/61/35/650786135.db2.gz HSUCDLBWLVUBFT-CXAGYDPISA-N 1 1 312.369 2.203 20 10 DECDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3CO[C@@H](C)C3)cc2F)CC1 ZINC000842677201 650803121 /nfs/dbraw/zinc/80/31/21/650803121.db2.gz FDRAYSNEWPBXJF-HOCLYGCPSA-N 1 1 321.440 2.235 20 10 DECDMO CCOc1ccc(CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c(O)c1 ZINC000783722559 643042646 /nfs/dbraw/zinc/04/26/46/643042646.db2.gz FSXORHKPLLQWHK-AWEZNQCLSA-N 1 1 322.449 2.068 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)c1O ZINC000902609108 643083052 /nfs/dbraw/zinc/08/30/52/643083052.db2.gz NVQDTDKQTKXTRQ-HOCLYGCPSA-N 1 1 321.417 2.337 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCOC[C@@H]2C[C@H]2CCCO2)c1O ZINC000902605677 643083069 /nfs/dbraw/zinc/08/30/69/643083069.db2.gz FGFLUDHHUMARRF-JKSUJKDBSA-N 1 1 321.417 2.479 20 10 DECDMO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000805822745 643435409 /nfs/dbraw/zinc/43/54/09/643435409.db2.gz RKGHXJZABZTXGS-INIZCTEOSA-N 1 1 303.450 2.491 20 10 DECDMO [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC000904391498 643652573 /nfs/dbraw/zinc/65/25/73/643652573.db2.gz HIOPTCGBHNZWJH-GFCCVEGCSA-N 1 1 310.825 2.375 20 10 DECDMO CN1CCN(c2ccc(C[NH2+]CCOC(F)(F)F)cc2)CC1 ZINC000788970944 643666617 /nfs/dbraw/zinc/66/66/17/643666617.db2.gz YAFDJOJZPWFBHB-UHFFFAOYSA-N 1 1 317.355 2.064 20 10 DECDMO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000789568585 643749528 /nfs/dbraw/zinc/74/95/28/643749528.db2.gz YCZOONXJYWOZFI-IBGZPJMESA-N 1 1 317.477 2.175 20 10 DECDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000789568585 643749532 /nfs/dbraw/zinc/74/95/32/643749532.db2.gz YCZOONXJYWOZFI-IBGZPJMESA-N 1 1 317.477 2.175 20 10 DECDMO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790985737 643917866 /nfs/dbraw/zinc/91/78/66/643917866.db2.gz BEWBGHBCYZXIOS-AAEUAGOBSA-N 1 1 303.761 2.468 20 10 DECDMO COc1cc(C)cc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000794693637 644461070 /nfs/dbraw/zinc/46/10/70/644461070.db2.gz GTWIMZRSQPMWPJ-SFHVURJKSA-N 1 1 321.417 2.479 20 10 DECDMO COc1cc(C[N@H+]2CC[C@](C)(C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000794715318 644465888 /nfs/dbraw/zinc/46/58/88/644465888.db2.gz QNFPMLNTWINJGI-SFHVURJKSA-N 1 1 320.433 2.396 20 10 DECDMO CC(=O)c1cc(Cl)cc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c1O ZINC000794929569 644494023 /nfs/dbraw/zinc/49/40/23/644494023.db2.gz MDVNYIIWWRHGLI-XHDPSFHLSA-N 1 1 308.809 2.384 20 10 DECDMO CC(=O)c1cc(Cl)cc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)c1O ZINC000794929568 644494637 /nfs/dbraw/zinc/49/46/37/644494637.db2.gz MDVNYIIWWRHGLI-NHYWBVRUSA-N 1 1 308.809 2.384 20 10 DECDMO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(F)cc1O ZINC000797072521 644834144 /nfs/dbraw/zinc/83/41/44/644834144.db2.gz YAIFBXHAPSVUEZ-ZJUUUORDSA-N 1 1 301.383 2.148 20 10 DECDMO CC[N@@H+](CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000103614994 645092076 /nfs/dbraw/zinc/09/20/76/645092076.db2.gz CYCREGHJNUTMFP-ZDUSSCGKSA-N 1 1 323.437 2.491 20 10 DECDMO CO[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000799735833 645215388 /nfs/dbraw/zinc/21/53/88/645215388.db2.gz BXKAWBYXUKHUFE-LPHOPBHVSA-N 1 1 317.477 2.438 20 10 DECDMO CO[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000799735833 645215395 /nfs/dbraw/zinc/21/53/95/645215395.db2.gz BXKAWBYXUKHUFE-LPHOPBHVSA-N 1 1 317.477 2.438 20 10 DECDMO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000800534000 645285197 /nfs/dbraw/zinc/28/51/97/645285197.db2.gz IGAFHOPKRGRDTK-LLVKDONJSA-N 1 1 317.838 2.445 20 10 DECDMO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000800534000 645285198 /nfs/dbraw/zinc/28/51/98/645285198.db2.gz IGAFHOPKRGRDTK-LLVKDONJSA-N 1 1 317.838 2.445 20 10 DECDMO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000839919100 645299966 /nfs/dbraw/zinc/29/99/66/645299966.db2.gz PLPQADBRQVCCRB-PBHICJAKSA-N 1 1 303.450 2.202 20 10 DECDMO 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COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)N2CCN(C)CC2)c1 ZINC000320141451 637728355 /nfs/dbraw/zinc/72/83/55/637728355.db2.gz HWURLBAIBIOUSA-CQSZACIVSA-N 1 1 321.465 2.077 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000840949868 650393683 /nfs/dbraw/zinc/39/36/83/650393683.db2.gz CZLOULAFCQUTBW-KRWDZBQOSA-N 1 1 324.490 2.460 20 10 DECDMO OC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCOC1 ZINC000840961331 650395039 /nfs/dbraw/zinc/39/50/39/650395039.db2.gz AKMYAQAKQJAVDT-RNCFNFMXSA-N 1 1 303.761 2.062 20 10 DECDMO OC[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@@H]1O ZINC000840976382 650399177 /nfs/dbraw/zinc/39/91/77/650399177.db2.gz VOCDKUVKEPFFRW-HKUYNNGSSA-N 1 1 313.397 2.234 20 10 DECDMO C[C@@H]1CC[N@H+](CCNCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000744450464 638221820 /nfs/dbraw/zinc/22/18/20/638221820.db2.gz WCMCCWVMQYSOHK-OAHLLOKOSA-N 1 1 321.440 2.094 20 10 DECDMO C[C@@H]1CC[N@@H+](CCNCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000744450464 638221826 /nfs/dbraw/zinc/22/18/26/638221826.db2.gz 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DECDMO COc1c(O)c(C[NH2+]CC2(CO)CCCCC2)ccc1[N+](=O)[O-] ZINC000775031423 641996453 /nfs/dbraw/zinc/99/64/53/641996453.db2.gz BBBUGDVLMIYLCL-UHFFFAOYSA-N 1 1 324.377 2.341 20 10 DECDMO COc1c(O)c(C[NH2+]C2(CCO)CCCCC2)ccc1[N+](=O)[O-] ZINC000775031718 641998042 /nfs/dbraw/zinc/99/80/42/641998042.db2.gz FJFJMQPCOYMKPU-UHFFFAOYSA-N 1 1 324.377 2.484 20 10 DECDMO Cc1ccnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775256975 642022397 /nfs/dbraw/zinc/02/23/97/642022397.db2.gz BOIKVOOUJCPICP-OAHLLOKOSA-N 1 1 312.417 2.472 20 10 DECDMO COc1ccc(O)c(C[NH+]2CCN(C(=O)OCC(C)C)CC2)c1 ZINC000775669218 642076723 /nfs/dbraw/zinc/07/67/23/642076723.db2.gz VPIFPDPODMBXKK-UHFFFAOYSA-N 1 1 322.405 2.311 20 10 DECDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c1O ZINC000775711960 642083105 /nfs/dbraw/zinc/08/31/05/642083105.db2.gz CCUKUXCERZPFSO-LLVKDONJSA-N 1 1 317.838 2.221 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CCOCC1)[C@@H](O)CO2 ZINC000776771746 642206620 /nfs/dbraw/zinc/20/66/20/642206620.db2.gz 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C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cn(C)nn1 ZINC000902767107 643137207 /nfs/dbraw/zinc/13/72/07/643137207.db2.gz YVBCNQJVNIMZMY-UONOGXRCSA-N 1 1 315.421 2.064 20 10 DECDMO COc1cc(O)c(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1OC ZINC000785989167 643308631 /nfs/dbraw/zinc/30/86/31/643308631.db2.gz SXBMHIDBIORORR-SCRDCRAPSA-N 1 1 309.406 2.391 20 10 DECDMO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000786765137 643407079 /nfs/dbraw/zinc/40/70/79/643407079.db2.gz OSCKVIZXBPJWSM-QGZVFWFLSA-N 1 1 301.434 2.338 20 10 DECDMO CO[C@H]1CC(=O)N(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000787217048 643466664 /nfs/dbraw/zinc/46/66/64/643466664.db2.gz NJQGRBZMCLHPJS-KRWDZBQOSA-N 1 1 319.449 2.168 20 10 DECDMO CC(C)CN1C[C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCN2C1=O ZINC000787289826 643477348 /nfs/dbraw/zinc/47/73/48/643477348.db2.gz YVOHVGJOVLQZGM-HNNXBMFYSA-N 1 1 321.396 2.109 20 10 DECDMO CC(C)CN1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCN2C1=O ZINC000787289826 643477353 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CCc1nnc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC001201803198 798800267 /nfs/dbraw/zinc/80/02/67/798800267.db2.gz MPEAPALCEHBKBL-ZDUSSCGKSA-N 1 1 315.421 2.055 20 10 DECDMO COc1cccc(C[N@H+]2CC[C@H](Oc3ncncc3C)C2)c1O ZINC001203601586 800087664 /nfs/dbraw/zinc/08/76/64/800087664.db2.gz BLYJLWYKFCPRAS-AWEZNQCLSA-N 1 1 315.373 2.153 20 10 DECDMO CCOc1cccc(C[N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c1O ZINC001203608392 800088917 /nfs/dbraw/zinc/08/89/17/800088917.db2.gz OAMHOKZPWRQADG-SFHVURJKSA-N 1 1 318.417 2.426 20 10 DECDMO CCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c1O ZINC001203617650 800091543 /nfs/dbraw/zinc/09/15/43/800091543.db2.gz SQXADHJFRIPRSB-DZGCQCFKSA-N 1 1 318.417 2.234 20 10 DECDMO COc1ccc(C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)c(O)c1 ZINC001203628667 800093710 /nfs/dbraw/zinc/09/37/10/800093710.db2.gz GEYIFXVWASCCMC-UHFFFAOYSA-N 1 1 300.358 2.102 20 10 DECDMO C[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)CC[C@]1(O)C(F)(F)F ZINC001203875345 800137799 /nfs/dbraw/zinc/13/77/99/800137799.db2.gz 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800200421 /nfs/dbraw/zinc/20/04/21/800200421.db2.gz ZECFCPVLPIWXTG-KRWDZBQOSA-N 1 1 315.369 2.378 20 10 DECDMO Oc1ccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)c(O)c1 ZINC001204281890 800200423 /nfs/dbraw/zinc/20/04/23/800200423.db2.gz ZECFCPVLPIWXTG-KRWDZBQOSA-N 1 1 315.369 2.378 20 10 DECDMO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204349713 800207334 /nfs/dbraw/zinc/20/73/34/800207334.db2.gz ACFVDPPXQUBPRL-ZDUSSCGKSA-N 1 1 323.389 2.272 20 10 DECDMO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](O)[C@@H](F)C3)cc2)CC1 ZINC000934563224 800389572 /nfs/dbraw/zinc/38/95/72/800389572.db2.gz DSDYVVNDTUGUKC-ROUUACIJSA-N 1 1 322.424 2.207 20 10 DECDMO COC1CCN(c2ccc(C[N@H+]3CC[C@H](O)[C@@H](F)C3)cc2)CC1 ZINC000934563224 800389581 /nfs/dbraw/zinc/38/95/81/800389581.db2.gz DSDYVVNDTUGUKC-ROUUACIJSA-N 1 1 322.424 2.207 20 10 DECDMO C[C@H]1CC[C@H](CN)[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001205828623 800428485 /nfs/dbraw/zinc/42/84/85/800428485.db2.gz MAEHRHHUNBXREZ-MAUKXSAKSA-N 1 1 317.477 2.207 20 10 DECDMO C[C@H]1CC[C@H](CN)[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001205828623 800428490 /nfs/dbraw/zinc/42/84/90/800428490.db2.gz MAEHRHHUNBXREZ-MAUKXSAKSA-N 1 1 317.477 2.207 20 10 DECDMO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)C(C)C ZINC001205907603 800442458 /nfs/dbraw/zinc/44/24/58/800442458.db2.gz KMKKYCBQFDUEIE-AWEZNQCLSA-N 1 1 300.349 2.263 20 10 DECDMO CNC(=O)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC001207234030 800714288 /nfs/dbraw/zinc/71/42/88/800714288.db2.gz IHCJAPBFMRGVHF-UHFFFAOYSA-N 1 1 302.349 2.280 20 10 DECDMO CNC(=O)C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC001207234030 800714290 /nfs/dbraw/zinc/71/42/90/800714290.db2.gz IHCJAPBFMRGVHF-UHFFFAOYSA-N 1 1 302.349 2.280 20 10 DECDMO COc1cc(C)c(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c(O)c1 ZINC001207520170 800770499 /nfs/dbraw/zinc/77/04/99/800770499.db2.gz YRGKQBALPIVBBC-AWEZNQCLSA-N 1 1 319.323 2.456 20 10 DECDMO CC(=O)N1CCC(C[N@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001208674161 801045095 /nfs/dbraw/zinc/04/50/95/801045095.db2.gz LNIXFQFVBQDBDJ-UHFFFAOYSA-N 1 1 318.417 2.105 20 10 DECDMO COc1cc(C[N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c(O)cc1O ZINC001231637128 801700766 /nfs/dbraw/zinc/70/07/66/801700766.db2.gz FIYFBEYPWVJBMB-AWEZNQCLSA-N 1 1 315.316 2.107 20 10 DECDMO Cc1cc(O)c(C[NH+]2CCN(c3cncnc3)CC2)cc1Cl ZINC001231870266 801742349 /nfs/dbraw/zinc/74/23/49/801742349.db2.gz QRZFSDHMBFCCOD-UHFFFAOYSA-N 1 1 318.808 2.466 20 10 DECDMO C[C@]1(CO)CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194719 801813801 /nfs/dbraw/zinc/81/38/01/801813801.db2.gz LEIVNFZSAASEQR-KRWDZBQOSA-N 1 1 324.852 2.381 20 10 DECDMO Oc1cc(O)c(C[N@H+]2CCC[C@@](O)(CF)CC2)cc1Cl ZINC001232258545 801830699 /nfs/dbraw/zinc/83/06/99/801830699.db2.gz AMPNMTHCENWVCQ-AWEZNQCLSA-N 1 1 303.761 2.438 20 10 DECDMO Cc1cccc(O[C@H]2CC[N@H+](Cc3cc(O)c(O)c(O)c3)C2)n1 ZINC001233016380 802003231 /nfs/dbraw/zinc/00/32/31/802003231.db2.gz VFLHRSYKUDRFFN-ZDUSSCGKSA-N 1 1 316.357 2.160 20 10 DECDMO Cc1cccc(O[C@H]2CC[N@@H+](Cc3cc(O)c(O)c(O)c3)C2)n1 ZINC001233016380 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20 10 DECDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c1O ZINC001233287997 802064367 /nfs/dbraw/zinc/06/43/67/802064367.db2.gz QUYZTIBSXFDZGL-RYUDHWBXSA-N 1 1 303.761 2.349 20 10 DECDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC(=O)N3CCC[C@@H]3C2)c1 ZINC001233286586 802065196 /nfs/dbraw/zinc/06/51/96/802065196.db2.gz ZVUWUEAKGJABMK-OAHLLOKOSA-N 1 1 302.418 2.496 20 10 DECDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC(=O)N3CCC[C@@H]3C2)c1 ZINC001233286586 802065202 /nfs/dbraw/zinc/06/52/02/802065202.db2.gz ZVUWUEAKGJABMK-OAHLLOKOSA-N 1 1 302.418 2.496 20 10 DECDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)c1 ZINC001233284344 802065274 /nfs/dbraw/zinc/06/52/74/802065274.db2.gz QZOHNZLNILUJII-AEFFLSMTSA-N 1 1 307.434 2.255 20 10 DECDMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416476 802111901 /nfs/dbraw/zinc/11/19/01/802111901.db2.gz JSDUNWFLDBBFQM-JTQLQIEISA-N 1 1 303.280 2.406 20 10 DECDMO COC(=O)[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233416476 802111907 /nfs/dbraw/zinc/11/19/07/802111907.db2.gz JSDUNWFLDBBFQM-JTQLQIEISA-N 1 1 303.280 2.406 20 10 DECDMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233416476 802111913 /nfs/dbraw/zinc/11/19/13/802111913.db2.gz JSDUNWFLDBBFQM-JTQLQIEISA-N 1 1 303.280 2.406 20 10 DECDMO COC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233451419 802120606 /nfs/dbraw/zinc/12/06/06/802120606.db2.gz KBRXLBZMUUFDLQ-UHFFFAOYSA-N 1 1 318.295 2.295 20 10 DECDMO Oc1cc(O)c(C[N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)cc1O ZINC001233483057 802127558 /nfs/dbraw/zinc/12/75/58/802127558.db2.gz MLFHELDFUQMHCZ-ZDUSSCGKSA-N 1 1 321.295 2.083 20 10 DECDMO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233727566 802190849 /nfs/dbraw/zinc/19/08/49/802190849.db2.gz NKPXPVOWGGFYGT-JTQLQIEISA-N 1 1 319.279 2.428 20 10 DECDMO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OC(F)(F)F)c1O ZINC001233727566 802190852 /nfs/dbraw/zinc/19/08/52/802190852.db2.gz NKPXPVOWGGFYGT-JTQLQIEISA-N 1 1 319.279 2.428 20 10 DECDMO COc1ccc2ccc(O)c(C[N@@H+]3CCNC(=O)C3(C)C)c2c1 ZINC001234553172 802412662 /nfs/dbraw/zinc/41/26/62/802412662.db2.gz YORXKPPVLLPQOB-UHFFFAOYSA-N 1 1 314.385 2.264 20 10 DECDMO COc1ccc2ccc(O)c(C[N@H+]3CCNC(=O)C3(C)C)c2c1 ZINC001234553172 802412670 /nfs/dbraw/zinc/41/26/70/802412670.db2.gz YORXKPPVLLPQOB-UHFFFAOYSA-N 1 1 314.385 2.264 20 10 DECDMO COc1cc(C)c(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c(O)c1 ZINC001474472026 1060879628 /nfs/dbraw/zinc/87/96/28/1060879628.db2.gz WYDYQSZMQMWGOV-GOSISDBHSA-N 1 1 321.417 2.479 20 10 DECDMO C[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[N@H+]1C1CC1 ZINC001631593727 1078368004 /nfs/dbraw/zinc/36/80/04/1078368004.db2.gz RBQSJPVMEMZSTH-GXFFZTMASA-N 1 1 315.377 2.204 20 10 DECDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc3c(n2)CCC3)cc1 ZINC001578424751 1067096660 /nfs/dbraw/zinc/09/66/60/1067096660.db2.gz UQIIZQZUYUISNZ-SFHVURJKSA-N 1 1 310.445 2.426 20 10 DECDMO COc1ccc(C[NH2+][C@H](CN)C(C)(C)C)cc1Cn1cccn1 ZINC001579216354 1067263002 /nfs/dbraw/zinc/26/30/02/1067263002.db2.gz QKYOEOWNASRGOT-QGZVFWFLSA-N 1 1 316.449 2.403 20 10 DECDMO O=C(NCc1cccc(O)c1O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001520508634 1069147051 /nfs/dbraw/zinc/14/70/51/1069147051.db2.gz IADDYZWRWPCUBY-CQSZACIVSA-N 1 1 318.417 2.369 20 10 DECDMO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1nnnn1C1CC1 ZINC001329271724 1148879679 /nfs/dbraw/zinc/87/96/79/1148879679.db2.gz COOWXTWSDANHOY-ZDUSSCGKSA-N 1 1 312.421 2.459 20 10 DECDMO O=C(NCc1cccc(Cl)c1[O-])[C@H]1NCCc2occc21 ZINC001580718751 1075982187 /nfs/dbraw/zinc/98/21/87/1075982187.db2.gz OZGPKGVKIVSAOJ-ZDUSSCGKSA-N 1 1 306.749 2.142 20 10 DECDMO O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2ccc3c(c2)CCO3)CC1 ZINC001650764129 1079772112 /nfs/dbraw/zinc/77/21/12/1079772112.db2.gz XVWLIFTWRVZWPF-MSOLQXFVSA-N 1 1 316.445 2.089 20 10 DECDMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001651969930 1079844358 /nfs/dbraw/zinc/84/43/58/1079844358.db2.gz GINPBXOGLZNGRU-LBPRGKRZSA-N 1 1 310.344 2.257 20 10 DECDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001651969930 1079844361 /nfs/dbraw/zinc/84/43/61/1079844361.db2.gz GINPBXOGLZNGRU-LBPRGKRZSA-N 1 1 310.344 2.257 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@]3(CCOC3=O)C2)cc1 ZINC001653268838 1079921956 /nfs/dbraw/zinc/92/19/56/1079921956.db2.gz BMBFVFJNKLSYHI-OAJJDEHYSA-N 1 1 300.402 2.405 20 10 DECDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@]3(CCOC3=O)C2)cc1 ZINC001653268837 1079923037 /nfs/dbraw/zinc/92/30/37/1079923037.db2.gz BMBFVFJNKLSYHI-JXCVUKRWSA-N 1 1 300.402 2.405 20 10 DECDMO Cc1nnc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)s1 ZINC001655639724 1080010432 /nfs/dbraw/zinc/01/04/32/1080010432.db2.gz CPJZFUURFBHPSP-UHFFFAOYSA-N 1 1 317.462 2.235 20 10 DECDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(Cl)cc1O ZINC001658517912 1080209708 /nfs/dbraw/zinc/20/97/08/1080209708.db2.gz PLJJUJQPSGKXCI-UWVGGRQHSA-N 1 1 305.827 2.299 20 10 DECDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001658517912 1080209715 /nfs/dbraw/zinc/20/97/15/1080209715.db2.gz PLJJUJQPSGKXCI-UWVGGRQHSA-N 1 1 305.827 2.299 20 10 DECDMO O=C(C[NH2+]Cc1cc(F)c(F)cc1O)N1CCc2ccccc21 ZINC001659935550 1080257270 /nfs/dbraw/zinc/25/72/70/1080257270.db2.gz SPUGTTYXVHMLDZ-UHFFFAOYSA-N 1 1 318.323 2.349 20 10 DECDMO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001659941787 1080257428 /nfs/dbraw/zinc/25/74/28/1080257428.db2.gz GBPGIOMCEHUJLF-OAHLLOKOSA-N 1 1 307.390 2.280 20 10 DECDMO COC(=O)C[C@@H]1COCC[N@H+]1Cc1cc(C(C)C)ccc1O ZINC001659941787 1080257433 /nfs/dbraw/zinc/25/74/33/1080257433.db2.gz GBPGIOMCEHUJLF-OAHLLOKOSA-N 1 1 307.390 2.280 20 10 DECDMO Cc1cc(Cl)cc(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c1O ZINC001237680628 1080473296 /nfs/dbraw/zinc/47/32/96/1080473296.db2.gz DYXRGQYARSSWNP-CYBMUJFWSA-N 1 1 301.814 2.308 20 10 DECDMO C[N@H+]1CCC[C@]2(CCCN(C(=O)c3cccc(O)c3O)C2)C1 ZINC001269607694 1081306310 /nfs/dbraw/zinc/30/63/10/1081306310.db2.gz GSFQIOQKIYGFGZ-KRWDZBQOSA-N 1 1 304.390 2.046 20 10 DECDMO C[NH+](C)[C@H]1CCN(Cc2cc(F)cc(Br)c2O)C1 ZINC001235295904 1084376484 /nfs/dbraw/zinc/37/64/84/1084376484.db2.gz GMDPKSOXXHAOBX-NSHDSACASA-N 1 1 317.202 2.430 20 10 DECDMO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(O)c(O)c2)C1=O ZINC001272903424 1084454721 /nfs/dbraw/zinc/45/47/21/1084454721.db2.gz SYSDUBMUOVNMNZ-UGSOOPFHSA-N 1 1 318.417 2.463 20 10 DECDMO CC[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(O)c(O)c2)C1=O ZINC001272903424 1084454726 /nfs/dbraw/zinc/45/47/26/1084454726.db2.gz SYSDUBMUOVNMNZ-UGSOOPFHSA-N 1 1 318.417 2.463 20 10 DECDMO CC(C)(C)c1ccc(C[N@H+]2CC(=O)N3CCC[C@H]3C2)c(O)c1 ZINC001235677187 1084496282 /nfs/dbraw/zinc/49/62/82/1084496282.db2.gz CKENUSBHQGLCSV-HNNXBMFYSA-N 1 1 302.418 2.496 20 10 DECDMO CC(C)(C)c1ccc(C[N@@H+]2CC(=O)N3CCC[C@H]3C2)c(O)c1 ZINC001235677187 1084496287 /nfs/dbraw/zinc/49/62/87/1084496287.db2.gz CKENUSBHQGLCSV-HNNXBMFYSA-N 1 1 302.418 2.496 20 10 DECDMO CC(C)(C)c1ccc(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c(O)c1 ZINC001235674463 1084496440 /nfs/dbraw/zinc/49/64/40/1084496440.db2.gz GHOQLAYAAGZRTH-AEFFLSMTSA-N 1 1 307.434 2.255 20 10 DECDMO [NH3+][C@@]12CC[C@@H]1CN(Cc1cc(Br)cc(F)c1O)C2 ZINC001235988948 1084582806 /nfs/dbraw/zinc/58/28/06/1084582806.db2.gz JAFSXKAHWSNPDI-NOZJJQNGSA-N 1 1 315.186 2.217 20 10 DECDMO C[C@@H]1C[C@H]([NH3+])CN(Cc2c(O)cc(Br)cc2F)C1 ZINC001236046250 1084596903 /nfs/dbraw/zinc/59/69/03/1084596903.db2.gz FJZXAIDWSSHQSX-SCZZXKLOSA-N 1 1 317.202 2.463 20 10 DECDMO Oc1cc(Br)cc(F)c1CN(C1CC1)C1C[NH2+]C1 ZINC001236065065 1084601911 /nfs/dbraw/zinc/60/19/11/1084601911.db2.gz YRDVWVFQNQAEQU-UHFFFAOYSA-N 1 1 315.186 2.230 20 10 DECDMO Oc1cccc(Br)c1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000707129952 1086659936 /nfs/dbraw/zinc/65/99/36/1086659936.db2.gz WAFSKNYXNVPJMX-LLVKDONJSA-N 1 1 311.223 2.435 20 10 DECDMO C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cc(C(=O)[O-])ccc3O)C2)C1 ZINC001276056169 1091495293 /nfs/dbraw/zinc/49/52/93/1091495293.db2.gz VYTUVNPVJAWFOL-GOSISDBHSA-N 1 1 318.417 2.398 20 10 DECDMO COc1cc(C[N@H+]2CCC[C@H]2CO)c(O)cc1Br ZINC001236748062 1138405478 /nfs/dbraw/zinc/40/54/78/1138405478.db2.gz KRHWSCJZSQYRDE-JTQLQIEISA-N 1 1 316.195 2.120 20 10 DECDMO C[C@]1(CO)CC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236767626 1138420339 /nfs/dbraw/zinc/42/03/39/1138420339.db2.gz KVQRSSHZUQTMCS-ZDUSSCGKSA-N 1 1 316.195 2.065 20 10 DECDMO C[C@]1(CO)CC[N@@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236767626 1138420355 /nfs/dbraw/zinc/42/03/55/1138420355.db2.gz KVQRSSHZUQTMCS-ZDUSSCGKSA-N 1 1 316.195 2.065 20 10 DECDMO CC(C)c1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c(O)c1 ZINC001237053111 1138491062 /nfs/dbraw/zinc/49/10/62/1138491062.db2.gz GSMPYXBTBNQGQQ-QGZVFWFLSA-N 1 1 304.434 2.422 20 10 DECDMO CC(=O)N[C@@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237113740 1138505943 /nfs/dbraw/zinc/50/59/43/1138505943.db2.gz CVIXJGFMHRZUGY-SNVBAGLBSA-N 1 1 318.295 2.001 20 10 DECDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237113740 1138505947 /nfs/dbraw/zinc/50/59/47/1138505947.db2.gz CVIXJGFMHRZUGY-SNVBAGLBSA-N 1 1 318.295 2.001 20 10 DECDMO C[C@@]1(CO)CC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237118814 1138506530 /nfs/dbraw/zinc/50/65/30/1138506530.db2.gz BIOODNRGMGDFBL-CYBMUJFWSA-N 1 1 305.296 2.495 20 10 DECDMO C[N@@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)(C)C ZINC001237204455 1138531811 /nfs/dbraw/zinc/53/18/11/1138531811.db2.gz BCSRIPOGOCFUEZ-UHFFFAOYSA-N 1 1 310.463 2.152 20 10 DECDMO CC[C@H](C)[N@@H+](C)Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001237209073 1138532714 /nfs/dbraw/zinc/53/27/14/1138532714.db2.gz UJBZLRMWTPFQEC-AWEZNQCLSA-N 1 1 310.463 2.152 20 10 DECDMO C[N@@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCC1 ZINC001237212514 1138536462 /nfs/dbraw/zinc/53/64/62/1138536462.db2.gz MERKWEHCLDIJSC-UHFFFAOYSA-N 1 1 322.474 2.296 20 10 DECDMO Cc1cccc(O)c1C[N@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001237487641 1138654413 /nfs/dbraw/zinc/65/44/13/1138654413.db2.gz CLHJGOCBZVUACB-UHFFFAOYSA-N 1 1 300.402 2.287 20 10 DECDMO Cc1cccc(O)c1C[N@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001237488516 1138655569 /nfs/dbraw/zinc/65/55/69/1138655569.db2.gz MSNMDWWMKNZQQS-UHFFFAOYSA-N 1 1 324.384 2.492 20 10 DECDMO COc1cc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(O)c(OC)c1 ZINC001237673588 1138748007 /nfs/dbraw/zinc/74/80/07/1138748007.db2.gz ROTZGUCMJKXBSA-SLEUVZQESA-N 1 1 307.390 2.409 20 10 DECDMO COc1cc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(O)c(OC)c1 ZINC001237678362 1138753180 /nfs/dbraw/zinc/75/31/80/1138753180.db2.gz YEGLBSGITZRDCZ-RISCZKNCSA-N 1 1 305.374 2.210 20 10 DECDMO CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3[O-])C[C@@H]21 ZINC001237804327 1138794084 /nfs/dbraw/zinc/79/40/84/1138794084.db2.gz CXUOQKIOJHFQLI-PJXYFTJBSA-N 1 1 313.756 2.426 20 10 DECDMO O=C1NCC[C@]12CCC[N@@H+](Cc1cc(F)c(Cl)cc1O)C2 ZINC001237938914 1138811454 /nfs/dbraw/zinc/81/14/54/1138811454.db2.gz QRSTWNGOICOAKK-HNNXBMFYSA-N 1 1 312.772 2.287 20 10 DECDMO O=C1NCC[C@]12CCC[N@H+](Cc1cc(F)c(Cl)cc1O)C2 ZINC001237938914 1138811455 /nfs/dbraw/zinc/81/14/55/1138811455.db2.gz QRSTWNGOICOAKK-HNNXBMFYSA-N 1 1 312.772 2.287 20 10 DECDMO O=C1NCC2(CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)O1 ZINC001237948441 1138812117 /nfs/dbraw/zinc/81/21/17/1138812117.db2.gz FETSJQMDTGAGNU-UHFFFAOYSA-N 1 1 314.744 2.259 20 10 DECDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C[NH+](C)C)o1 ZINC001296247581 1139731951 /nfs/dbraw/zinc/73/19/51/1139731951.db2.gz VRTLRKVZPKXKGA-LLVKDONJSA-N 1 1 318.373 2.113 20 10 DECDMO Cc1ccc(C)c(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC=CC3)C2)c1O ZINC001278357645 1140071485 /nfs/dbraw/zinc/07/14/85/1140071485.db2.gz LPOGCYPIRNCOSP-DNVCBOLYSA-N 1 1 312.413 2.229 20 10 DECDMO COC(=O)Cc1ccc(C[N@@H+](C)Cc2cccnc2C)c(O)c1 ZINC001249214222 1141859871 /nfs/dbraw/zinc/85/98/71/1141859871.db2.gz IHDCLOZJEUIERD-UHFFFAOYSA-N 1 1 314.385 2.443 20 10 DECDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c(O)c1 ZINC001249207288 1141860066 /nfs/dbraw/zinc/86/00/66/1141860066.db2.gz ANJNSAOEXCKTIQ-GOSISDBHSA-N 1 1 319.401 2.110 20 10 DECDMO CC[N@@H+](C)C1CCN(Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249216479 1141860296 /nfs/dbraw/zinc/86/02/96/1141860296.db2.gz AYECRHJLVBGWJP-UHFFFAOYSA-N 1 1 320.433 2.024 20 10 DECDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[C@@H](C(N)=O)C3)ccc2O1 ZINC001249223991 1141862124 /nfs/dbraw/zinc/86/21/24/1141862124.db2.gz QFSWHUKJFQMOGF-CYBMUJFWSA-N 1 1 316.401 2.274 20 10 DECDMO CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@@H](O)[C@@H](F)C3)ccc2O1 ZINC001249223996 1141862174 /nfs/dbraw/zinc/86/21/74/1141862174.db2.gz QJPUBIOEKINXMM-UONOGXRCSA-N 1 1 307.365 2.481 20 10 DECDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CC[C@@H](O)[C@@H](F)C3)ccc2O1 ZINC001249223996 1141862175 /nfs/dbraw/zinc/86/21/75/1141862175.db2.gz QJPUBIOEKINXMM-UONOGXRCSA-N 1 1 307.365 2.481 20 10 DECDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CN(C)C(=O)O1 ZINC001324259030 1142041315 /nfs/dbraw/zinc/04/13/15/1142041315.db2.gz ZDDFRCOUKKSLSB-MRXNPFEDSA-N 1 1 305.422 2.414 20 10 DECDMO CCOC[C@@H](O)C[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001252045316 1142611529 /nfs/dbraw/zinc/61/15/29/1142611529.db2.gz LNEHYHYMKVIAIL-NSHDSACASA-N 1 1 310.781 2.081 20 10 DECDMO CC[C@@H]1COCCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337010343 1142657357 /nfs/dbraw/zinc/65/73/57/1142657357.db2.gz RLYPLRSUOZCDDV-MRXNPFEDSA-N 1 1 321.440 2.188 20 10 DECDMO CCOC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001256045194 1143824956 /nfs/dbraw/zinc/82/49/56/1143824956.db2.gz KIIDVVCGLCMHIJ-MRXNPFEDSA-N 1 1 305.422 2.415 20 10 DECDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001262618377 1144323139 /nfs/dbraw/zinc/32/31/39/1144323139.db2.gz VDGUYUBWXBTPRJ-ZFWWWQNUSA-N 1 1 320.433 2.265 20 10 DECDMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001308571188 1147480919 /nfs/dbraw/zinc/48/09/19/1147480919.db2.gz RZWOBIDKQXDKEI-CYBMUJFWSA-N 1 1 322.405 2.420 20 10 DECDMO CN(C)c1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC000375466362 282289909 /nfs/dbraw/zinc/28/99/09/282289909.db2.gz CNDZRIPVGDNUEG-IRXDYDNUSA-N 1 1 302.418 2.323 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC000375466362 282289910 /nfs/dbraw/zinc/28/99/10/282289910.db2.gz CNDZRIPVGDNUEG-IRXDYDNUSA-N 1 1 302.418 2.323 20 10 DECDMO CCCCNC(=O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052465490 354403894 /nfs/dbraw/zinc/40/38/94/354403894.db2.gz HAVXFVUJZGJRJC-UHFFFAOYSA-N 1 1 319.449 2.124 20 10 DECDMO COc1ccc(N2CCC[N@@H+](CCn3cccn3)CC2)cc1 ZINC000066422920 354714823 /nfs/dbraw/zinc/71/48/23/354714823.db2.gz HFCXNTQGHPUXEH-UHFFFAOYSA-N 1 1 300.406 2.104 20 10 DECDMO COc1cccc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1O ZINC000093870390 355689019 /nfs/dbraw/zinc/68/90/19/355689019.db2.gz WGYJCHBFHALBMF-ZDUSSCGKSA-N 1 1 301.390 2.199 20 10 DECDMO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000093455628 285281645 /nfs/dbraw/zinc/28/16/45/285281645.db2.gz QLPYOIHPOILXPD-OAHLLOKOSA-N 1 1 313.353 2.213 20 10 DECDMO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273391874 130115935 /nfs/dbraw/zinc/11/59/35/130115935.db2.gz KVFKMIRQDWFKTC-RYUDHWBXSA-N 1 1 322.405 2.134 20 10 DECDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(cc1O)OCO2 ZINC000298889239 132081624 /nfs/dbraw/zinc/08/16/24/132081624.db2.gz PBWDNBYDKMZCLN-UHFFFAOYSA-N 1 1 315.325 2.482 20 10 DECDMO CC[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(F)cc1O ZINC000297151490 404474982 /nfs/dbraw/zinc/47/49/82/404474982.db2.gz CJERRZMODHWQQK-ZBFHGGJFSA-N 1 1 310.413 2.419 20 10 DECDMO COc1cccc(CNC(=O)NCC[N@@H+](C)C2CCCC2)c1O ZINC000074109467 401729961 /nfs/dbraw/zinc/72/99/61/401729961.db2.gz CJYOTGYIKLXVOV-UHFFFAOYSA-N 1 1 321.421 2.074 20 10 DECDMO CCOc1cccc(C[N@H+]2CC[C@@H](COCCOC)C2)c1O ZINC000093754735 402019751 /nfs/dbraw/zinc/01/97/51/402019751.db2.gz HBMRDSDIMCUYGP-CQSZACIVSA-N 1 1 309.406 2.276 20 10 DECDMO C[C@@H]([NH2+]CCCN(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151921148 402065962 /nfs/dbraw/zinc/06/59/62/402065962.db2.gz ZILKOZMTFOOIMV-CQSZACIVSA-N 1 1 309.429 2.265 20 10 DECDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000179343866 402586268 /nfs/dbraw/zinc/58/62/68/402586268.db2.gz 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CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278944631 402889026 /nfs/dbraw/zinc/88/90/26/402889026.db2.gz YKCWIOREDDNBSC-LBPRGKRZSA-N 1 1 323.393 2.131 20 10 DECDMO CC[C@@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1ccc(C)cc1O ZINC000280149166 402969040 /nfs/dbraw/zinc/96/90/40/402969040.db2.gz QBVZYIXJZNEXEV-NVXWUHKLSA-N 1 1 305.466 2.377 20 10 DECDMO CCOc1cccc(C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1O ZINC000279755326 402961831 /nfs/dbraw/zinc/96/18/31/402961831.db2.gz ZDEGBOFQNFQCMS-CXAGYDPISA-N 1 1 307.390 2.171 20 10 DECDMO C[C@H]1CN(Cc2c(O)cccc2Cl)CC[N@H+]1CC(C)(C)O ZINC000276053845 403142437 /nfs/dbraw/zinc/14/24/37/403142437.db2.gz URQBQLTXBAAFQP-LBPRGKRZSA-N 1 1 312.841 2.323 20 10 DECDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000282744950 403159322 /nfs/dbraw/zinc/15/93/22/403159322.db2.gz NNWFOQDIXNTIRN-MRXNPFEDSA-N 1 1 310.463 2.152 20 10 DECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000282744950 403159325 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CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840997358 640086538 /nfs/dbraw/zinc/08/65/38/640086538.db2.gz YSOAPEPGMZPGNP-OAHLLOKOSA-N 1 1 319.449 2.124 20 10 DECDMO C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000762787914 640460032 /nfs/dbraw/zinc/46/00/32/640460032.db2.gz OADRMJVFLFQBCG-LPHOPBHVSA-N 1 1 317.477 2.394 20 10 DECDMO C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000762787914 640460043 /nfs/dbraw/zinc/46/00/43/640460043.db2.gz OADRMJVFLFQBCG-LPHOPBHVSA-N 1 1 317.477 2.394 20 10 DECDMO [NH3+][C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000841966350 650615277 /nfs/dbraw/zinc/61/52/77/650615277.db2.gz UOJQGJIMCVHWOB-LLVKDONJSA-N 1 1 318.204 2.236 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1 ZINC000897681329 640901683 /nfs/dbraw/zinc/90/16/83/640901683.db2.gz RNHFPAXRCMWOPR-CABZTGNLSA-N 1 1 300.196 2.276 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1 ZINC000897681329 640901686 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324.808 2.165 20 10 DECDMO CCC[N@H+]1C[C@H]2CN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@H]2C1 ZINC001193611336 797592593 /nfs/dbraw/zinc/59/25/93/797592593.db2.gz CQDSJHBCIDDNDD-TXEJJXNPSA-N 1 1 324.808 2.165 20 10 DECDMO CCC[N@@H+]1C[C@H]2CN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@H]2C1 ZINC001193611336 797592596 /nfs/dbraw/zinc/59/25/96/797592596.db2.gz CQDSJHBCIDDNDD-TXEJJXNPSA-N 1 1 324.808 2.165 20 10 DECDMO O=S(=O)(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC001203556228 800077970 /nfs/dbraw/zinc/07/79/70/800077970.db2.gz OTWGPZLBLYJHMU-MRXNPFEDSA-N 1 1 317.410 2.440 20 10 DECDMO O=S(=O)(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC001203556228 800077976 /nfs/dbraw/zinc/07/79/76/800077976.db2.gz OTWGPZLBLYJHMU-MRXNPFEDSA-N 1 1 317.410 2.440 20 10 DECDMO Oc1ccc(Cl)cc1C[NH+]1CCN(c2ccncn2)CC1 ZINC001203664680 800102158 /nfs/dbraw/zinc/10/21/58/800102158.db2.gz PLKYSTCUTRPVMG-UHFFFAOYSA-N 1 1 304.781 2.158 20 10 DECDMO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)c1 ZINC001203678322 800105215 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COC(=O)c1cccc2c1C[N@H+](Cc1ccc(O)cc1O)CC2 ZINC001204278130 800199046 /nfs/dbraw/zinc/19/90/46/800199046.db2.gz VBQQSJVSJSZNAE-UHFFFAOYSA-N 1 1 313.353 2.443 20 10 DECDMO COC(=O)c1cccc2c1C[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001204278130 800199049 /nfs/dbraw/zinc/19/90/49/800199049.db2.gz VBQQSJVSJSZNAE-UHFFFAOYSA-N 1 1 313.353 2.443 20 10 DECDMO CCC(=O)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204320047 800204630 /nfs/dbraw/zinc/20/46/30/800204630.db2.gz MLRNLAYITURHMJ-UHFFFAOYSA-N 1 1 301.434 2.341 20 10 DECDMO COc1cc(C[N@H+](CCO)Cc2cccs2)cc(O)c1O ZINC001204343685 800206258 /nfs/dbraw/zinc/20/62/58/800206258.db2.gz VLJBVXIDJJIRTG-UHFFFAOYSA-N 1 1 309.387 2.162 20 10 DECDMO COc1cc(C[N@@H+](CCO)Cc2cccs2)cc(O)c1O ZINC001204343685 800206264 /nfs/dbraw/zinc/20/62/64/800206264.db2.gz VLJBVXIDJJIRTG-UHFFFAOYSA-N 1 1 309.387 2.162 20 10 DECDMO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206622543 800567483 /nfs/dbraw/zinc/56/74/83/800567483.db2.gz FIBLQMCGSHCWGP-ZDUSSCGKSA-N 1 1 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KGARJQFSCKMWAR-HOTGVXAUSA-N 1 1 303.450 2.232 20 10 DECDMO CC(=O)N(C(C)C)C1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233015526 802002396 /nfs/dbraw/zinc/00/23/96/802002396.db2.gz QODIYVZHDCXCBV-UHFFFAOYSA-N 1 1 322.405 2.025 20 10 DECDMO Cc1cnccc1O[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015234 802003185 /nfs/dbraw/zinc/00/31/85/802003185.db2.gz GAOMKSORPKILOH-CYBMUJFWSA-N 1 1 316.357 2.160 20 10 DECDMO Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015234 802003188 /nfs/dbraw/zinc/00/31/88/802003188.db2.gz GAOMKSORPKILOH-CYBMUJFWSA-N 1 1 316.357 2.160 20 10 DECDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@@](C)(CO)[C@H](O)C2)c1 ZINC001233284000 802063947 /nfs/dbraw/zinc/06/39/47/802063947.db2.gz DLQOSDQHHARNFC-AEFFLSMTSA-N 1 1 307.434 2.255 20 10 DECDMO CC[N@@H+]1C[C@H]2CN(Cc3cc(Cl)cc(OC)c3O)C[C@H]2C1 ZINC001233291402 802067100 /nfs/dbraw/zinc/06/71/00/802067100.db2.gz ZRLXQPLCQYPJJC-BETUJISGSA-N 1 1 310.825 2.438 20 10 DECDMO Cn1cnnc1C1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233335161 802080331 /nfs/dbraw/zinc/08/03/31/802080331.db2.gz JYTBRLHTTXEXDV-UHFFFAOYSA-N 1 1 308.332 2.179 20 10 DECDMO [O-]c1c(CN2CCO[C@]3(CCOC3)C2)cccc1C(F)(F)F ZINC001233416409 802111305 /nfs/dbraw/zinc/11/13/05/802111305.db2.gz HABLOVALGOVSDP-CQSZACIVSA-N 1 1 317.307 2.402 20 10 DECDMO Oc1cc(O)c(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)cc1O ZINC001233484896 802126698 /nfs/dbraw/zinc/12/66/98/802126698.db2.gz BLQANROMBPFPRZ-AWEZNQCLSA-N 1 1 316.357 2.242 20 10 DECDMO CN1CC[N@@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1c1ccccc1 ZINC001233485416 802127018 /nfs/dbraw/zinc/12/70/18/802127018.db2.gz VASLJLOOIAZBRE-OAHLLOKOSA-N 1 1 314.385 2.292 20 10 DECDMO C[N@@H+]1CCN(Cc2cc(O)c(O)cc2O)C[C@@H]1c1ccccc1 ZINC001233485416 802127024 /nfs/dbraw/zinc/12/70/24/802127024.db2.gz VASLJLOOIAZBRE-OAHLLOKOSA-N 1 1 314.385 2.292 20 10 DECDMO C[N@H+]1CCN(Cc2cc(O)c(O)cc2O)C[C@@H]1c1ccccc1 ZINC001233485416 802127029 /nfs/dbraw/zinc/12/70/29/802127029.db2.gz VASLJLOOIAZBRE-OAHLLOKOSA-N 1 1 314.385 2.292 20 10 DECDMO CC(C)[N@H+]1CCC[C@@H](Oc2nc[nH]c3cc(=O)c(O)cc2-3)C1 ZINC001233948373 802249646 /nfs/dbraw/zinc/24/96/46/802249646.db2.gz GHZLBYMNZDJUMZ-LLVKDONJSA-N 1 1 303.362 2.293 20 10 DECDMO Oc1c(Br)cccc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000316331707 802508282 /nfs/dbraw/zinc/50/82/82/802508282.db2.gz GOYDCNZQGZTXQM-GFCCVEGCSA-N 1 1 300.196 2.405 20 10 DECDMO COc1ccc(C[N@H+]2CC[C@@](CO)(C(C)C)C2)c(O)c1OC ZINC001334288078 1150258723 /nfs/dbraw/zinc/25/87/23/1150258723.db2.gz VTFUHBFSNVDHNS-QGZVFWFLSA-N 1 1 309.406 2.250 20 10 DECDMO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CCCC[N@H+]2C)c1 ZINC001345393095 1150886904 /nfs/dbraw/zinc/88/69/04/1150886904.db2.gz RXSZRXQCWWNCBU-CHWSQXEVSA-N 1 1 321.421 2.245 20 10 DECDMO Cc1ccc(C[N@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)c(O)c1 ZINC001605847266 1070944467 /nfs/dbraw/zinc/94/44/67/1070944467.db2.gz CPPHUZONDOENLX-UHFFFAOYSA-N 1 1 307.357 2.397 20 10 DECDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001570007676 1065876678 /nfs/dbraw/zinc/87/66/78/1065876678.db2.gz 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Cc1cc(Cl)cc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1O ZINC000179779531 402600493 /nfs/dbraw/zinc/60/04/93/402600493.db2.gz WCHZWUXRPHHOHJ-HNNXBMFYSA-N 1 1 310.825 2.261 20 10 DECDMO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000171686779 402609350 /nfs/dbraw/zinc/60/93/50/402609350.db2.gz YSVWCVLLUSLQDA-CQSZACIVSA-N 1 1 321.490 2.148 20 10 DECDMO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCS1 ZINC000171686779 402609352 /nfs/dbraw/zinc/60/93/52/402609352.db2.gz YSVWCVLLUSLQDA-CQSZACIVSA-N 1 1 321.490 2.148 20 10 DECDMO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(F)cc1O ZINC000281009246 403056874 /nfs/dbraw/zinc/05/68/74/403056874.db2.gz OBOOBMYXVGBKHS-JTQLQIEISA-N 1 1 301.383 2.149 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCOCC(F)F)c1 ZINC000276742331 403192775 /nfs/dbraw/zinc/19/27/75/403192775.db2.gz ZLZNEUWFXOQWOB-VIFPVBQESA-N 1 1 303.305 2.111 20 10 DECDMO O=C1NCCC[N@H+](Cc2ccccc2O)[C@@H]1Cc1ccccc1 ZINC000293687323 403538321 /nfs/dbraw/zinc/53/83/21/403538321.db2.gz 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227010518 /nfs/dbraw/zinc/01/05/18/227010518.db2.gz VAUJJVTURKOQSJ-QGZVFWFLSA-N 1 1 307.390 2.412 20 10 DECDMO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1O ZINC000375470884 227150358 /nfs/dbraw/zinc/15/03/58/227150358.db2.gz QUNLWNXARALNFY-LSDHHAIUSA-N 1 1 319.401 2.361 20 10 DECDMO CCOc1cccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1O ZINC000375470884 227150362 /nfs/dbraw/zinc/15/03/62/227150362.db2.gz QUNLWNXARALNFY-LSDHHAIUSA-N 1 1 319.401 2.361 20 10 DECDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000377241280 227185034 /nfs/dbraw/zinc/18/50/34/227185034.db2.gz QDXVZKMJPWIXNB-ZWKOTPCHSA-N 1 1 316.445 2.382 20 10 DECDMO CCOc1cccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1O ZINC000377703628 227199120 /nfs/dbraw/zinc/19/91/20/227199120.db2.gz VMILAOKKZPWADE-GJZGRUSLSA-N 1 1 307.390 2.171 20 10 DECDMO CCOc1cccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1O ZINC000377703628 227199122 /nfs/dbraw/zinc/19/91/22/227199122.db2.gz VMILAOKKZPWADE-GJZGRUSLSA-N 1 1 307.390 2.171 20 10 DECDMO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1c(O)cccc1F ZINC001350087213 1151323260 /nfs/dbraw/zinc/32/32/60/1151323260.db2.gz ZMRDVUQCAUAYDZ-NWDGAFQWSA-N 1 1 304.369 2.194 20 10 DECDMO COc1ccc(N2CCC[N@H+](Cc3nccn3C)CC2)cc1 ZINC000377490088 534001604 /nfs/dbraw/zinc/00/16/04/534001604.db2.gz PLIMMZXSVLKEPM-UHFFFAOYSA-N 1 1 300.406 2.141 20 10 DECDMO COc1ccc(N2CCC[N@@H+](Cc3nccn3C)CC2)cc1 ZINC000377490088 534001611 /nfs/dbraw/zinc/00/16/11/534001611.db2.gz PLIMMZXSVLKEPM-UHFFFAOYSA-N 1 1 300.406 2.141 20 10 DECDMO CC[N@@H+](C)C[C@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000160320112 520254590 /nfs/dbraw/zinc/25/45/90/520254590.db2.gz QYUIZKWBNDJPNW-CYBMUJFWSA-N 1 1 308.422 2.183 20 10 DECDMO CCCC[N@H+](Cc1cc(F)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000179884089 520544215 /nfs/dbraw/zinc/54/42/15/520544215.db2.gz TZOMSYUYKZNICB-AWEZNQCLSA-N 1 1 315.410 2.321 20 10 DECDMO CCCC[N@@H+](Cc1cc(F)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000179884089 520544221 /nfs/dbraw/zinc/54/42/21/520544221.db2.gz TZOMSYUYKZNICB-AWEZNQCLSA-N 1 1 315.410 2.321 20 10 DECDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181139095 521485820 /nfs/dbraw/zinc/48/58/20/521485820.db2.gz WHLAUNKWBOGAGV-ZKKXHLJNSA-N 1 1 318.417 2.301 20 10 DECDMO COc1ccc(O)c(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c1 ZINC000180548256 524733285 /nfs/dbraw/zinc/73/32/85/524733285.db2.gz VZOQVGFVQUNSBX-UHFFFAOYSA-N 1 1 322.449 2.191 20 10 DECDMO Cc1cc(O)c(C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1C ZINC000129941870 525314827 /nfs/dbraw/zinc/31/48/27/525314827.db2.gz BASBPOCFUUQNOK-UHFFFAOYSA-N 1 1 302.418 2.453 20 10 DECDMO CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1ccc(F)cc1O ZINC000285951571 535807932 /nfs/dbraw/zinc/80/79/32/535807932.db2.gz GEZXURYTQKLQFB-GXFFZTMASA-N 1 1 303.399 2.395 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2cccnc2)c1 ZINC000273432709 536792766 /nfs/dbraw/zinc/79/27/66/536792766.db2.gz WEVQGKHIWUWCOH-LBPRGKRZSA-N 1 1 300.358 2.467 20 10 DECDMO C[C@H](O)C[N@H+]1CCN(C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835054859 649872776 /nfs/dbraw/zinc/87/27/76/649872776.db2.gz RTGCRKJJRAAQAU-WBXGCANISA-N 1 1 317.477 2.153 20 10 DECDMO CC(C)OC[C@@H](CO)[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054833 649873046 /nfs/dbraw/zinc/87/30/46/649873046.db2.gz ZKAVQDVUWHYADZ-IPLHWJFFSA-N 1 1 306.450 2.484 20 10 DECDMO Cn1c[nH+]c2cc(NCc3ccc(-c4nn[nH]n4)cc3)ccc21 ZINC000822698926 607318204 /nfs/dbraw/zinc/31/82/04/607318204.db2.gz IRQLLDWKGBSLFX-UHFFFAOYSA-N 1 1 305.345 2.366 20 10 DECDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(-c2nn[nH]n2)cc1F ZINC000736827885 598617742 /nfs/dbraw/zinc/61/77/42/598617742.db2.gz CUBUWVMRZPORAI-UHFFFAOYSA-N 1 1 313.336 2.343 20 10 DECDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000790955749 623805525 /nfs/dbraw/zinc/80/55/25/623805525.db2.gz XYCUTXGEQONNRC-SNVBAGLBSA-N 1 1 303.761 2.062 20 10 DECDMO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(OC)c(OC)c1O ZINC000891748598 624575167 /nfs/dbraw/zinc/57/51/67/624575167.db2.gz RFSRAYCHTQWWBJ-UHFFFAOYSA-N 1 1 324.421 2.148 20 10 DECDMO COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c(O)c1OC ZINC000892106268 624784184 /nfs/dbraw/zinc/78/41/84/624784184.db2.gz UYZLKERKFNYICO-TZMCWYRMSA-N 1 1 308.422 2.324 20 10 DECDMO COC(=O)CC[N@@H+](Cc1cc(F)ccc1O)C1CCOCC1 ZINC000180213301 625179033 /nfs/dbraw/zinc/17/90/33/625179033.db2.gz AXYXBKXWDHUOBM-UHFFFAOYSA-N 1 1 311.353 2.075 20 10 DECDMO CCOc1ccc(O)c(CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000249894039 636255841 /nfs/dbraw/zinc/25/58/41/636255841.db2.gz RCHMXNFWEZGJEV-AWEZNQCLSA-N 1 1 322.449 2.068 20 10 DECDMO CCOc1ccc(O)c(C[N@@H+]2CCN(CC(C)(C)O)[C@@H](C)C2)c1 ZINC000249894039 636255846 /nfs/dbraw/zinc/25/58/46/636255846.db2.gz RCHMXNFWEZGJEV-AWEZNQCLSA-N 1 1 322.449 2.068 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CCN(CC(C)(C)O)[C@@H](C)C2)c1 ZINC000249894039 636255847 /nfs/dbraw/zinc/25/58/47/636255847.db2.gz RCHMXNFWEZGJEV-AWEZNQCLSA-N 1 1 322.449 2.068 20 10 DECDMO CC[C@H](CN1CCOCC1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000922591044 636265789 /nfs/dbraw/zinc/26/57/89/636265789.db2.gz 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ZINC000895013250 637375495 /nfs/dbraw/zinc/37/54/95/637375495.db2.gz ZOCXIKDDUQDYKH-LBPRGKRZSA-N 1 1 302.378 2.125 20 10 DECDMO COc1cc(C)cc(C[N@@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c1O ZINC000895013250 637375500 /nfs/dbraw/zinc/37/55/00/637375500.db2.gz ZOCXIKDDUQDYKH-LBPRGKRZSA-N 1 1 302.378 2.125 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c1O ZINC000895013250 637375501 /nfs/dbraw/zinc/37/55/01/637375501.db2.gz ZOCXIKDDUQDYKH-LBPRGKRZSA-N 1 1 302.378 2.125 20 10 DECDMO Cc1cc(Br)cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1O ZINC000788269027 637541719 /nfs/dbraw/zinc/54/17/19/637541719.db2.gz KEBOJWKRICFRFA-JOYOIKCWSA-N 1 1 300.196 2.418 20 10 DECDMO Fc1cc(C[NH2+]Cc2ccccn2)cc(F)c1N1CCOCC1 ZINC000839146648 637788511 /nfs/dbraw/zinc/78/85/11/637788511.db2.gz PKLYYYBBQBIMLP-UHFFFAOYSA-N 1 1 319.355 2.486 20 10 DECDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCOCC2)c(F)c1 ZINC000839131968 637800641 /nfs/dbraw/zinc/80/06/41/637800641.db2.gz SIWRSHMMDNYSAW-GASCZTMLSA-N 1 1 318.392 2.358 20 10 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305.466 2.070 20 10 DECDMO CCc1cccc(C[N@H+](CCN(C)C)C[C@H]2CCCO2)c1O ZINC000848910458 651555888 /nfs/dbraw/zinc/55/58/88/651555888.db2.gz JJGSRIQYVCGUGT-QGZVFWFLSA-N 1 1 306.450 2.497 20 10 DECDMO CCc1cccc(C[N@@H+](CCN(C)C)C[C@H]2CCCO2)c1O ZINC000848910458 651555891 /nfs/dbraw/zinc/55/58/91/651555891.db2.gz JJGSRIQYVCGUGT-QGZVFWFLSA-N 1 1 306.450 2.497 20 10 DECDMO CCc1cccc(CN2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)c1O ZINC000848914441 651558219 /nfs/dbraw/zinc/55/82/19/651558219.db2.gz MVYVCQFMGYSCJH-DLBZAZTESA-N 1 1 304.434 2.250 20 10 DECDMO CN1CCN(c2ccc(C[NH2+][C@H]3COC(C)(C)C3)cc2)CC1 ZINC000850342767 651903866 /nfs/dbraw/zinc/90/38/66/651903866.db2.gz VPCQOHYPXBBIDS-MRXNPFEDSA-N 1 1 303.450 2.096 20 10 DECDMO COc1ccc(N2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000850347712 651905719 /nfs/dbraw/zinc/90/57/19/651905719.db2.gz WLXFQKGKMKVLAM-RYRKJORJSA-N 1 1 315.461 2.490 20 10 DECDMO COc1ccc(N2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000850347712 651905720 /nfs/dbraw/zinc/90/57/20/651905720.db2.gz WLXFQKGKMKVLAM-RYRKJORJSA-N 1 1 315.461 2.490 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)c1 ZINC000850521413 651944428 /nfs/dbraw/zinc/94/44/28/651944428.db2.gz VBYUJRLKOUJTSY-RNCFNFMXSA-N 1 1 315.316 2.254 20 10 DECDMO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000850558654 651952983 /nfs/dbraw/zinc/95/29/83/651952983.db2.gz SLLAVLYASDPHQQ-SECBINFHSA-N 1 1 319.373 2.288 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nccn2C)c1 ZINC000850571886 651954632 /nfs/dbraw/zinc/95/46/32/651954632.db2.gz DKHJMZIKGMTFSB-GHMZBOCLSA-N 1 1 303.362 2.324 20 10 DECDMO C[C@H]([NH3+])CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000857109838 652053049 /nfs/dbraw/zinc/05/30/49/652053049.db2.gz OHHZFFYEHJJOEB-ZETCQYMHSA-N 1 1 306.193 2.236 20 10 DECDMO CC(C)CC[C@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000858241685 652287216 /nfs/dbraw/zinc/28/72/16/652287216.db2.gz YBKDASWDNIOBBV-GOSISDBHSA-N 1 1 319.493 2.325 20 10 DECDMO Cc1cc(C[N@H+]2CC[C@H](N3CCOC3=O)C2)ccc1N(C)C ZINC000852442755 652402042 /nfs/dbraw/zinc/40/20/42/652402042.db2.gz LLFUIDZHVZWMFW-HNNXBMFYSA-N 1 1 303.406 2.088 20 10 DECDMO Cc1cc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)ccc1N(C)C ZINC000852498081 652410760 /nfs/dbraw/zinc/41/07/60/652410760.db2.gz YVTKQOHASRAZQF-HZPDHXFCSA-N 1 1 301.434 2.162 20 10 DECDMO CCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)C1 ZINC000852631037 652430095 /nfs/dbraw/zinc/43/00/95/652430095.db2.gz GBFKWAHHPFOGQN-CHWSQXEVSA-N 1 1 321.421 2.245 20 10 DECDMO Nc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000852926800 652480728 /nfs/dbraw/zinc/48/07/28/652480728.db2.gz GPPXQBPSAREVNP-INIZCTEOSA-N 1 1 301.434 2.050 20 10 DECDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCCC4)CC[C@@H]2N1 ZINC000853558196 652567716 /nfs/dbraw/zinc/56/77/16/652567716.db2.gz OUTUYBMKUNMGTI-WBVHZDCISA-N 1 1 314.429 2.372 20 10 DECDMO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000854245068 652664400 /nfs/dbraw/zinc/66/44/00/652664400.db2.gz BGBAHNBZZUWUCE-CQSZACIVSA-N 1 1 305.422 2.406 20 10 DECDMO COc1ccc(O)c(C[N@@H+](CCO)CCc2ccccc2)c1 ZINC000305777352 685299254 /nfs/dbraw/zinc/29/92/54/685299254.db2.gz PNAWWBNMKHMHAN-UHFFFAOYSA-N 1 1 301.386 2.438 20 10 DECDMO COC[C@]1(C)CC(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC000083083793 683997027 /nfs/dbraw/zinc/99/70/27/683997027.db2.gz PAGQZEIKZQEDET-GOSISDBHSA-N 1 1 319.449 2.027 20 10 DECDMO COC[C@]1(C)CC(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC000083083793 683997029 /nfs/dbraw/zinc/99/70/29/683997029.db2.gz PAGQZEIKZQEDET-GOSISDBHSA-N 1 1 319.449 2.027 20 10 DECDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000093420642 684049207 /nfs/dbraw/zinc/04/92/07/684049207.db2.gz DAUDKMAXVJRICI-UWVGGRQHSA-N 1 1 305.827 2.299 20 10 DECDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000093420642 684049204 /nfs/dbraw/zinc/04/92/04/684049204.db2.gz DAUDKMAXVJRICI-UWVGGRQHSA-N 1 1 305.827 2.299 20 10 DECDMO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H](CO)O1 ZINC000249503693 685181279 /nfs/dbraw/zinc/18/12/79/685181279.db2.gz XWXRGTKSAVQMJA-YJBOKZPZSA-N 1 1 304.434 2.259 20 10 DECDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H](CO)O1 ZINC000249503693 685181281 /nfs/dbraw/zinc/18/12/81/685181281.db2.gz XWXRGTKSAVQMJA-YJBOKZPZSA-N 1 1 304.434 2.259 20 10 DECDMO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccns1 ZINC000860053946 685876661 /nfs/dbraw/zinc/87/66/61/685876661.db2.gz DLQPLTHLTRFPEN-GFCCVEGCSA-N 1 1 318.446 2.176 20 10 DECDMO COC1(CO)CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862349992 686279729 /nfs/dbraw/zinc/27/97/29/686279729.db2.gz ANMMKNQKCFIRQY-UHFFFAOYSA-N 1 1 314.376 2.004 20 10 DECDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000862475623 686308446 /nfs/dbraw/zinc/30/84/46/686308446.db2.gz QTQAQRXRXMNXGC-SFHVURJKSA-N 1 1 315.369 2.309 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CC[C@H]3CC[C@@H](C1)S3)[C@H](O)CO2 ZINC000863294551 686470028 /nfs/dbraw/zinc/47/00/28/686470028.db2.gz HYCGGJOJFWKMEK-TYNCELHUSA-N 1 1 307.415 2.288 20 10 DECDMO COC(=O)/C=C(\C)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000929971234 694061617 /nfs/dbraw/zinc/06/16/17/694061617.db2.gz NXAQZRDITBNDIJ-DKGMDFAASA-N 1 1 319.401 2.493 20 10 DECDMO CC[C@@H]1[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@H+]1C ZINC000865051005 686926320 /nfs/dbraw/zinc/92/63/20/686926320.db2.gz GSYINBDPNKPVJS-DZGCQCFKSA-N 1 1 307.413 2.238 20 10 DECDMO CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016370196 687604790 /nfs/dbraw/zinc/60/47/90/687604790.db2.gz ZFUVXHSJJJGAGM-CQSZACIVSA-N 1 1 317.393 2.453 20 10 DECDMO C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(Cl)cc1O ZINC000866571237 687612698 /nfs/dbraw/zinc/61/26/98/687612698.db2.gz BGLOVRSIOYWNIK-SECBINFHSA-N 1 1 320.842 2.011 20 10 DECDMO C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1O ZINC000868355886 687988742 /nfs/dbraw/zinc/98/87/42/687988742.db2.gz SMBZINNPGMDHEO-OLZOCXBDSA-N 1 1 303.406 2.237 20 10 DECDMO C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1O ZINC000868383841 687997616 /nfs/dbraw/zinc/99/76/16/687997616.db2.gz YREPPPJOYQKOOU-RWMBFGLXSA-N 1 1 303.406 2.378 20 10 DECDMO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cccc(C(F)(F)F)c1O ZINC000872141590 688934523 /nfs/dbraw/zinc/93/45/23/688934523.db2.gz ZORVLQBMRPEGGE-GGZOMVNGSA-N 1 1 305.296 2.211 20 10 DECDMO CN(C)c1ccc(C[N@H+](C)CN2C[C@H]3CCCCN3C2=O)cc1 ZINC000872553997 689029546 /nfs/dbraw/zinc/02/95/46/689029546.db2.gz FSDFSVOWIFEYGI-QGZVFWFLSA-N 1 1 316.449 2.432 20 10 DECDMO CN(C)c1ccc(C[N@@H+](C)CN2C[C@H]3CCCCN3C2=O)cc1 ZINC000872553997 689029548 /nfs/dbraw/zinc/02/95/48/689029548.db2.gz FSDFSVOWIFEYGI-QGZVFWFLSA-N 1 1 316.449 2.432 20 10 DECDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1)OCO2 ZINC000872814872 689099444 /nfs/dbraw/zinc/09/94/44/689099444.db2.gz VXYFVNWNUPNJOF-CYBMUJFWSA-N 1 1 319.279 2.274 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](C(F)(F)F)CC1)OCO2 ZINC000872814872 689099446 /nfs/dbraw/zinc/09/94/46/689099446.db2.gz VXYFVNWNUPNJOF-CYBMUJFWSA-N 1 1 319.279 2.274 20 10 DECDMO C[C@@H](NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1O ZINC000875094111 689570885 /nfs/dbraw/zinc/57/08/85/689570885.db2.gz YBINRKISBVKZTL-MGPQQGTHSA-N 1 1 303.406 2.379 20 10 DECDMO Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c(O)c1 ZINC000876766792 689931013 /nfs/dbraw/zinc/93/10/13/689931013.db2.gz SGLQDIZQSQUVGH-GDBMZVCRSA-N 1 1 311.447 2.488 20 10 DECDMO OC1CCN(c2ccc(C[N@H+]3CCO[C@H](C4CC4)C3)cc2)CC1 ZINC000877423990 690108438 /nfs/dbraw/zinc/10/84/38/690108438.db2.gz OQTZXHVOHSACFD-IBGZPJMESA-N 1 1 316.445 2.259 20 10 DECDMO Cc1ccc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)c(O)c1 ZINC000877483343 690127195 /nfs/dbraw/zinc/12/71/95/690127195.db2.gz MLYAWUQPJKMJIP-MRXNPFEDSA-N 1 1 317.433 2.278 20 10 DECDMO OC1CCN(c2ccc(C[N@@H+]3CCOCC34CC4)cc2)CC1 ZINC000877504827 690134151 /nfs/dbraw/zinc/13/41/51/690134151.db2.gz SGLUEXFABFRERT-UHFFFAOYSA-N 1 1 302.418 2.013 20 10 DECDMO OC1CCN(c2ccc(C[N@H+]3CCOCC34CC4)cc2)CC1 ZINC000877504827 690134154 /nfs/dbraw/zinc/13/41/54/690134154.db2.gz SGLUEXFABFRERT-UHFFFAOYSA-N 1 1 302.418 2.013 20 10 DECDMO CC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCOC1 ZINC000877543419 690146361 /nfs/dbraw/zinc/14/63/61/690146361.db2.gz ALUQGPJVSAROSD-KRWDZBQOSA-N 1 1 304.434 2.259 20 10 DECDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1CO ZINC000877646626 690178668 /nfs/dbraw/zinc/17/86/68/690178668.db2.gz JZTGHUDBSKHFKI-DOTOQJQBSA-N 1 1 318.461 2.098 20 10 DECDMO CC(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061123 691006267 /nfs/dbraw/zinc/00/62/67/691006267.db2.gz PKNCRJDKINBBFY-CQSZACIVSA-N 1 1 317.393 2.309 20 10 DECDMO CC(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039061121 691006434 /nfs/dbraw/zinc/00/64/34/691006434.db2.gz PKNCRJDKINBBFY-AWEZNQCLSA-N 1 1 317.393 2.309 20 10 DECDMO CN1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000931621999 694441843 /nfs/dbraw/zinc/44/18/43/694441843.db2.gz MVPNFDLYKXGNIG-RTBURBONSA-N 1 1 315.461 2.192 20 10 DECDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1ccc(N2CCOCC2)cc1 ZINC000931621999 694441845 /nfs/dbraw/zinc/44/18/45/694441845.db2.gz MVPNFDLYKXGNIG-RTBURBONSA-N 1 1 315.461 2.192 20 10 DECDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2Cc1ccc(N2CCOCC2)cc1 ZINC000931621999 694441848 /nfs/dbraw/zinc/44/18/48/694441848.db2.gz MVPNFDLYKXGNIG-RTBURBONSA-N 1 1 315.461 2.192 20 10 DECDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000882885529 691378953 /nfs/dbraw/zinc/37/89/53/691378953.db2.gz BCXVGFOVSGJLFI-CYBMUJFWSA-N 1 1 309.312 2.200 20 10 DECDMO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883002646 691407566 /nfs/dbraw/zinc/40/75/66/691407566.db2.gz LHZMDTYVNRJJCK-GWCFXTLKSA-N 1 1 312.360 2.407 20 10 DECDMO CN1CCN(c2ccc(C[NH2+]CCc3ccns3)cc2)CC1 ZINC000883240065 691463968 /nfs/dbraw/zinc/46/39/68/691463968.db2.gz FNQWKUAKHYZIPC-UHFFFAOYSA-N 1 1 316.474 2.227 20 10 DECDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCCO1 ZINC000883290569 691473755 /nfs/dbraw/zinc/47/37/55/691473755.db2.gz YDPFODLDBYDZQC-YJBOKZPZSA-N 1 1 303.450 2.096 20 10 DECDMO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1c(O)cccc1F ZINC000886594192 692123082 /nfs/dbraw/zinc/12/30/82/692123082.db2.gz HOCZSNSPBUFNHO-LLVKDONJSA-N 1 1 303.399 2.397 20 10 DECDMO CCOc1ccc(N2CCN(C[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC001332695848 1149881255 /nfs/dbraw/zinc/88/12/55/1149881255.db2.gz SBHZLUKNQWYFBV-QGZVFWFLSA-N 1 1 303.450 2.302 20 10 DECDMO CC1(C)CCC[N@H+]1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001348022027 1151114288 /nfs/dbraw/zinc/11/42/88/1151114288.db2.gz YALMLIHYISCLDT-FNORWQNLSA-N 1 1 304.390 2.102 20 10 DECDMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3cccc(Cl)c3O)[C@@H]2C1 ZINC001348312890 1151144260 /nfs/dbraw/zinc/14/42/60/1151144260.db2.gz YPGVNIVRTBMJMA-OUCADQQQSA-N 1 1 323.824 2.185 20 10 DECDMO C[C@@H](NC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)c1ccccc1O ZINC001347233667 1151050128 /nfs/dbraw/zinc/05/01/28/1151050128.db2.gz OPGJECSRYNGTLL-RJZRQDKASA-N 1 1 303.406 2.093 20 10 DECDMO O=C1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CN1CC1CC1 ZINC001332021583 1149809180 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DECDMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2c2nncn2C)c(O)c1 ZINC001651866231 1079838465 /nfs/dbraw/zinc/83/84/65/1079838465.db2.gz TXEZAPAGYONIOH-CQSZACIVSA-N 1 1 302.378 2.175 20 10 DECDMO Cc1cc(C[NH2+]Cc2cccc(Br)c2O)n(C)n1 ZINC000688944024 1081803750 /nfs/dbraw/zinc/80/37/50/1081803750.db2.gz GBUKFPUQVJJYIC-UHFFFAOYSA-N 1 1 310.195 2.486 20 10 DECDMO CCN(C(=O)[C@@H]1CC12C[NH+](Cc1ccc(O)c(O)c1)C2)C(C)C ZINC001276914438 1083677637 /nfs/dbraw/zinc/67/76/37/1083677637.db2.gz QTVPWLIBCDXLQK-AWEZNQCLSA-N 1 1 318.417 2.177 20 10 DECDMO COc1ccc(N2CC3(C2)CC[N@@H+](CCn2ccnc2)C3)cc1 ZINC001276927486 1083684145 /nfs/dbraw/zinc/68/41/45/1083684145.db2.gz SHAMHTSYAQNVJI-UHFFFAOYSA-N 1 1 312.417 2.104 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC=CC2)cc1 ZINC001276958626 1083699935 /nfs/dbraw/zinc/69/99/35/1083699935.db2.gz RQXUKOAYPMBAAT-APWZRJJASA-N 1 1 311.429 2.115 20 10 DECDMO CN(C)c1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(=O)NC(C)(C)C)C2)cc1 ZINC001276957978 1083700649 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/nfs/dbraw/zinc/96/17/96/402961796.db2.gz XWBPBFPCQMWLEN-OAHLLOKOSA-N 1 1 310.350 2.310 20 10 DECDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000268096029 403048277 /nfs/dbraw/zinc/04/82/77/403048277.db2.gz CTSQMPAVAKGBAF-GUYCJALGSA-N 1 1 316.449 2.035 20 10 DECDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000281278486 403062600 /nfs/dbraw/zinc/06/26/00/403062600.db2.gz OEWKULWNJRCMHE-SFHVURJKSA-N 1 1 321.417 2.492 20 10 DECDMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269045972 403123176 /nfs/dbraw/zinc/12/31/76/403123176.db2.gz NJAOOIDBOZTFLQ-IRXDYDNUSA-N 1 1 323.433 2.159 20 10 DECDMO C[C@@H]1CN(CCC[NH2+]Cc2ccc(N(C)C)cc2)CCCO1 ZINC000277625515 403238720 /nfs/dbraw/zinc/23/87/20/403238720.db2.gz BURHXNCHGFAYMW-MRXNPFEDSA-N 1 1 305.466 2.343 20 10 DECDMO Cn1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000271001568 403251901 /nfs/dbraw/zinc/25/19/01/403251901.db2.gz LKTZSUVIBUBOBY-INIZCTEOSA-N 1 1 301.390 2.307 20 10 DECDMO Cn1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000271001568 403251904 /nfs/dbraw/zinc/25/19/04/403251904.db2.gz LKTZSUVIBUBOBY-INIZCTEOSA-N 1 1 301.390 2.307 20 10 DECDMO CN(C)c1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000292187652 403315134 /nfs/dbraw/zinc/31/51/34/403315134.db2.gz RCSXJAPTGWZINC-UHFFFAOYSA-N 1 1 310.463 2.009 20 10 DECDMO Cc1cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)ccc1N(C)C ZINC000292973343 403385513 /nfs/dbraw/zinc/38/55/13/403385513.db2.gz DPXPEZGZSGCHDN-KRWDZBQOSA-N 1 1 301.434 2.304 20 10 DECDMO COc1ccc(O)c(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c1 ZINC000293892439 403592148 /nfs/dbraw/zinc/59/21/48/403592148.db2.gz KLWIGKSCKDFKAB-INIZCTEOSA-N 1 1 301.386 2.436 20 10 DECDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295243755 403809900 /nfs/dbraw/zinc/80/99/00/403809900.db2.gz FGGLGIHCGRUKQL-SECBINFHSA-N 1 1 300.761 2.272 20 10 DECDMO NC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295243755 403809907 /nfs/dbraw/zinc/80/99/07/403809907.db2.gz FGGLGIHCGRUKQL-SECBINFHSA-N 1 1 300.761 2.272 20 10 DECDMO COc1cc(O)c(C[N@@H+](C)C2CCC(CO)CC2)cc1OC ZINC000290665226 404263301 /nfs/dbraw/zinc/26/33/01/404263301.db2.gz ZYLVPVAFCSBTDC-UHFFFAOYSA-N 1 1 309.406 2.392 20 10 DECDMO CCOc1cccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1O ZINC000291182651 404376141 /nfs/dbraw/zinc/37/61/41/404376141.db2.gz FTRPBTKFIYSQEY-GFCCVEGCSA-N 1 1 301.333 2.240 20 10 DECDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1C ZINC000377173744 227183209 /nfs/dbraw/zinc/18/32/09/227183209.db2.gz BBUFGILEMZVXSR-OAHLLOKOSA-N 1 1 302.418 2.453 20 10 DECDMO COc1cc(O)c(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1OC ZINC000378448089 227214021 /nfs/dbraw/zinc/21/40/21/227214021.db2.gz BLTJCDFFFBIMGE-LBPRGKRZSA-N 1 1 303.362 2.300 20 10 DECDMO C[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)CN1CCN(C)CC1 ZINC000120863906 279351395 /nfs/dbraw/zinc/35/13/95/279351395.db2.gz GBRZZZCOFHOOTP-IAGOWNOFSA-N 1 1 318.509 2.287 20 10 DECDMO CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C2)CC1 ZINC000180069385 279372007 /nfs/dbraw/zinc/37/20/07/279372007.db2.gz IJPNGZXUGBDRIC-HNNXBMFYSA-N 1 1 323.868 2.257 20 10 DECDMO O=C(c1cccc(O)c1O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000189525655 280209013 /nfs/dbraw/zinc/20/90/13/280209013.db2.gz DYCUUAPCTYIUCV-IUODEOHRSA-N 1 1 316.401 2.187 20 10 DECDMO CC(C)[C@H]1C(=O)NCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835025377 649868057 /nfs/dbraw/zinc/86/80/57/649868057.db2.gz FBHZSCIAHAHWKF-OSJSJHBBSA-N 1 1 301.434 2.222 20 10 DECDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835025377 649868061 /nfs/dbraw/zinc/86/80/61/649868061.db2.gz FBHZSCIAHAHWKF-OSJSJHBBSA-N 1 1 301.434 2.222 20 10 DECDMO CCS(=O)(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000265494445 521640104 /nfs/dbraw/zinc/64/01/04/521640104.db2.gz WBZWLYXCUWEFQP-UHFFFAOYSA-N 1 1 312.479 2.398 20 10 DECDMO CCS(=O)(=O)CC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000265494445 521640108 /nfs/dbraw/zinc/64/01/08/521640108.db2.gz WBZWLYXCUWEFQP-UHFFFAOYSA-N 1 1 312.479 2.398 20 10 DECDMO C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000179632901 521849097 /nfs/dbraw/zinc/84/90/97/521849097.db2.gz PDUCPCOHHOXNGO-JTQLQIEISA-N 1 1 313.785 2.337 20 10 DECDMO C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000179632901 521849106 /nfs/dbraw/zinc/84/91/06/521849106.db2.gz PDUCPCOHHOXNGO-JTQLQIEISA-N 1 1 313.785 2.337 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1F ZINC000130994602 522182244 /nfs/dbraw/zinc/18/22/44/522182244.db2.gz PTDCINNTSAPPHH-INIZCTEOSA-N 1 1 321.440 2.046 20 10 DECDMO COc1ccc(O)c(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC000180795012 524742568 /nfs/dbraw/zinc/74/25/68/524742568.db2.gz AMZMJDRAPQBKAB-NSHDSACASA-N 1 1 318.339 2.469 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c1 ZINC000180795012 524742574 /nfs/dbraw/zinc/74/25/74/524742574.db2.gz AMZMJDRAPQBKAB-NSHDSACASA-N 1 1 318.339 2.469 20 10 DECDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc3n2CCCC3)c1 ZINC000182440615 524765630 /nfs/dbraw/zinc/76/56/30/524765630.db2.gz ASMJITLDLYOGGW-LLVKDONJSA-N 1 1 302.378 2.179 20 10 DECDMO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)C[N@H+]1C1CC1 ZINC000130694639 525253587 /nfs/dbraw/zinc/25/35/87/525253587.db2.gz ASZPGXIJGABGPY-TZMCWYRMSA-N 1 1 303.406 2.159 20 10 DECDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000180086877 526348199 /nfs/dbraw/zinc/34/81/99/526348199.db2.gz NDHWDRRASKLMRY-GFCCVEGCSA-N 1 1 316.380 2.449 20 10 DECDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000273297559 536793501 /nfs/dbraw/zinc/79/35/01/536793501.db2.gz AMSLODMNUSQETB-LBPRGKRZSA-N 1 1 317.389 2.425 20 10 DECDMO CN(C)c1ccc(/C=C\CNCC2([NH+](C)C)CCOCC2)cc1 ZINC000835041743 649870951 /nfs/dbraw/zinc/87/09/51/649870951.db2.gz ZYFMXBDGLRJTPF-WAYWQWQTSA-N 1 1 317.477 2.466 20 10 DECDMO C[C@H](O)C[N@H+]1CCN(C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835054842 649873021 /nfs/dbraw/zinc/87/30/21/649873021.db2.gz RTGCRKJJRAAQAU-CSLAMCDYSA-N 1 1 317.477 2.153 20 10 DECDMO O=C(NCc1cccc(Cl)c1O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000892069440 624768686 /nfs/dbraw/zinc/76/86/86/624768686.db2.gz KOIYFLRCNSJXQF-ZIAGYGMSSA-N 1 1 323.824 2.472 20 10 DECDMO COc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c(O)c1OC ZINC000892106264 624784091 /nfs/dbraw/zinc/78/40/91/624784091.db2.gz UYZLKERKFNYICO-JSGCOSHPSA-N 1 1 308.422 2.324 20 10 DECDMO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000734286018 633356149 /nfs/dbraw/zinc/35/61/49/633356149.db2.gz XWZDNFKARMHQHA-OAHLLOKOSA-N 1 1 316.449 2.131 20 10 DECDMO Oc1c(Br)cccc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000227439397 635781851 /nfs/dbraw/zinc/78/18/51/635781851.db2.gz YLTQKQUNKJDBON-QMMMGPOBSA-N 1 1 314.101 2.168 20 10 DECDMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016368365 635911400 /nfs/dbraw/zinc/91/14/00/635911400.db2.gz PHBZEJWTINRYRW-ZDUSSCGKSA-N 1 1 303.366 2.063 20 10 DECDMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893947734 636073892 /nfs/dbraw/zinc/07/38/92/636073892.db2.gz MPPKZVQXKYZVRM-LBPRGKRZSA-N 1 1 324.371 2.409 20 10 DECDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000893947734 636073894 /nfs/dbraw/zinc/07/38/94/636073894.db2.gz MPPKZVQXKYZVRM-LBPRGKRZSA-N 1 1 324.371 2.409 20 10 DECDMO C[C@@H](NC(=O)NCC[N@H+]1CC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000894287532 636700002 /nfs/dbraw/zinc/70/00/02/636700002.db2.gz VMZNQPXWYVYDHQ-LSDHHAIUSA-N 1 1 318.465 2.455 20 10 DECDMO NC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]1c1ccccc1 ZINC000895007489 637381308 /nfs/dbraw/zinc/38/13/08/637381308.db2.gz ZSZHCCUWKDVGQI-JKSUJKDBSA-N 1 1 314.360 2.232 20 10 DECDMO c1cc(N2CCOCC2)ccc1CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000320040952 637527580 /nfs/dbraw/zinc/52/75/80/637527580.db2.gz KMGBZWVOBOPIKZ-RTBURBONSA-N 1 1 315.461 2.240 20 10 DECDMO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000320040952 637527590 /nfs/dbraw/zinc/52/75/90/637527590.db2.gz KMGBZWVOBOPIKZ-RTBURBONSA-N 1 1 315.461 2.240 20 10 DECDMO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ncc[nH]1 ZINC000840760193 650355655 /nfs/dbraw/zinc/35/56/55/650355655.db2.gz TXXFRTSEHAHIER-NSHDSACASA-N 1 1 322.359 2.375 20 10 DECDMO C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cccc(C(F)(F)F)c1O ZINC000840837124 650364641 /nfs/dbraw/zinc/36/46/41/650364641.db2.gz GDKGCKGYOQLEPO-DTWKUNHWSA-N 1 1 302.296 2.198 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC000840818214 637775393 /nfs/dbraw/zinc/77/53/93/637775393.db2.gz XRDBWLWEEUTWES-MNOVXSKESA-N 1 1 303.362 2.324 20 10 DECDMO CCN(CC)c1ccc(C[NH2+][C@@H](CO)c2ccnn2C)cc1F ZINC000839180866 637811960 /nfs/dbraw/zinc/81/19/60/637811960.db2.gz TZAASNSJCOTJJR-HNNXBMFYSA-N 1 1 320.412 2.229 20 10 DECDMO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccn(C)n1 ZINC000839192936 637814854 /nfs/dbraw/zinc/81/48/54/637814854.db2.gz XQDOLUCPZMKRTN-AWEZNQCLSA-N 1 1 300.406 2.108 20 10 DECDMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccn(C)n1 ZINC000839190305 637815671 /nfs/dbraw/zinc/81/56/71/637815671.db2.gz FPNKHGXGOIOTKH-CYBMUJFWSA-N 1 1 318.396 2.247 20 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/nfs/dbraw/zinc/38/87/43/647388743.db2.gz NKWKAMDCUSJSNR-SJORKVTESA-N 1 1 301.438 2.227 20 10 DECDMO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1 ZINC000817943560 647389582 /nfs/dbraw/zinc/38/95/82/647389582.db2.gz VLQTUABSEQJFGU-IAGOWNOFSA-N 1 1 313.449 2.153 20 10 DECDMO C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1[O-] ZINC000817982042 647399745 /nfs/dbraw/zinc/39/97/45/647399745.db2.gz BFKJYBHKAGWUJZ-JEYLPNPQSA-N 1 1 321.440 2.398 20 10 DECDMO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)OC ZINC000818116875 647423358 /nfs/dbraw/zinc/42/33/58/647423358.db2.gz QXZRRMPJVLPJHR-CZUORRHYSA-N 1 1 306.406 2.063 20 10 DECDMO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925423950 647559967 /nfs/dbraw/zinc/55/99/67/647559967.db2.gz HOWYCYTYGLLWJR-HNNXBMFYSA-N 1 1 305.422 2.408 20 10 DECDMO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000915927414 647818969 /nfs/dbraw/zinc/81/89/69/647818969.db2.gz LZDZATPVDYBTTQ-NVXWUHKLSA-N 1 1 316.449 2.179 20 10 DECDMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)cc1 ZINC000154932002 648137001 /nfs/dbraw/zinc/13/70/01/648137001.db2.gz XLROPQHRAKZWGE-IRXDYDNUSA-N 1 1 318.509 2.429 20 10 DECDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000824636658 648628394 /nfs/dbraw/zinc/62/83/94/648628394.db2.gz SAFPPZAIGYGDDZ-SJLPKXTDSA-N 1 1 304.434 2.116 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1 ZINC000824654924 648630821 /nfs/dbraw/zinc/63/08/21/648630821.db2.gz SGHFVLXSTLAWOY-FRFSOERESA-N 1 1 321.417 2.153 20 10 DECDMO CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000825099297 648703701 /nfs/dbraw/zinc/70/37/01/648703701.db2.gz YAZZUBMPRRXJBH-BEFAXECRSA-N 1 1 317.477 2.342 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1 ZINC000825279183 648735326 /nfs/dbraw/zinc/73/53/26/648735326.db2.gz PPLCMJIMPHHWOT-AWEZNQCLSA-N 1 1 321.421 2.027 20 10 DECDMO C[N@H+]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CCC1(C)C ZINC000825349450 648746699 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Cc1cc(O)c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c(Cl)c1 ZINC000827699523 649070924 /nfs/dbraw/zinc/07/09/24/649070924.db2.gz IGOGCFTVTATESN-AWEZNQCLSA-N 1 1 324.852 2.385 20 10 DECDMO COC(=O)C1(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000844401197 651123201 /nfs/dbraw/zinc/12/32/01/651123201.db2.gz IQLFCIKVJSPUMA-UHFFFAOYSA-N 1 1 306.406 2.016 20 10 DECDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(OC)nn2)cc1 ZINC000844400491 651123279 /nfs/dbraw/zinc/12/32/79/651123279.db2.gz CTNYPCYEPUEHLY-UHFFFAOYSA-N 1 1 316.405 2.062 20 10 DECDMO COc1c([O-])c(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1[N+](=O)[O-] ZINC000844901143 651180705 /nfs/dbraw/zinc/18/07/05/651180705.db2.gz FLDSJNHNLJGQLT-DGCLKSJQSA-N 1 1 323.393 2.258 20 10 DECDMO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@@H+](C)C1CC1 ZINC000844951624 651187243 /nfs/dbraw/zinc/18/72/43/651187243.db2.gz DCBNJLAMOLTPHM-JTQLQIEISA-N 1 1 311.813 2.328 20 10 DECDMO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000846013204 651301501 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COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nccn2C)c1 ZINC000850571887 651955011 /nfs/dbraw/zinc/95/50/11/651955011.db2.gz DKHJMZIKGMTFSB-MNOVXSKESA-N 1 1 303.362 2.324 20 10 DECDMO CN(C)c1cc(F)c(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)cc1F ZINC000858175970 652272111 /nfs/dbraw/zinc/27/21/11/652272111.db2.gz YQCXXABAHGYAHD-WFASDCNBSA-N 1 1 323.387 2.274 20 10 DECDMO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000858283865 652296034 /nfs/dbraw/zinc/29/60/34/652296034.db2.gz TXOWLZKZZVINNN-GGXPGOJBSA-N 1 1 317.477 2.340 20 10 DECDMO Cc1ccc(O)c(CNC(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000858436407 652336586 /nfs/dbraw/zinc/33/65/86/652336586.db2.gz HXVFWUJZUPFWOE-UHFFFAOYSA-N 1 1 314.389 2.233 20 10 DECDMO CCC[N@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000852628367 652429845 /nfs/dbraw/zinc/42/98/45/652429845.db2.gz FMKQKMFNSXNSJU-CYBMUJFWSA-N 1 1 311.813 2.329 20 10 DECDMO CCC[N@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000852631953 652430748 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/nfs/dbraw/zinc/99/33/52/689993352.db2.gz SXENAGDBUQBDQO-UHFFFAOYSA-N 1 1 305.466 2.078 20 10 DECDMO Cc1ccc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(O)c1 ZINC000877436040 690112422 /nfs/dbraw/zinc/11/24/22/690112422.db2.gz NXQLWJZMVWWRFT-GFCCVEGCSA-N 1 1 316.323 2.201 20 10 DECDMO OC1CCN(c2ccc(C[N@@H+]3CCO[C@@H](CCF)C3)cc2)CC1 ZINC000877658186 690182042 /nfs/dbraw/zinc/18/20/42/690182042.db2.gz VWRFIHRSQAVBDZ-SFHVURJKSA-N 1 1 322.424 2.208 20 10 DECDMO OC1CCN(c2ccc(C[N@H+]3CCO[C@@H](CCF)C3)cc2)CC1 ZINC000877658186 690182046 /nfs/dbraw/zinc/18/20/46/690182046.db2.gz VWRFIHRSQAVBDZ-SFHVURJKSA-N 1 1 322.424 2.208 20 10 DECDMO Cc1ccc(C[NH2+]C(c2ccnn2C)c2ccnn2C)c(O)c1 ZINC000877661291 690182258 /nfs/dbraw/zinc/18/22/58/690182258.db2.gz YOMNKFJHUZJBOJ-UHFFFAOYSA-N 1 1 311.389 2.047 20 10 DECDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C(C)(C)O)C2)cc1OC ZINC000877796309 690233972 /nfs/dbraw/zinc/23/39/72/690233972.db2.gz CLEHIZCYEZNAJI-ZDUSSCGKSA-N 1 1 309.406 2.392 20 10 DECDMO 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LLCFPUUQQKGZMO-KPXOXKRLSA-N 1 1 305.296 2.475 20 10 DECDMO Cc1cc(C[N@H+]2CCC[C@](O)(CO)C2)ccc1N1CCCCC1 ZINC000839147200 637789222 /nfs/dbraw/zinc/78/92/22/637789222.db2.gz GAIAFTVERFYSDT-LJQANCHMSA-N 1 1 318.461 2.305 20 10 DECDMO Cc1cc(O)c(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000840890791 650371739 /nfs/dbraw/zinc/37/17/39/650371739.db2.gz RJFJNEARDNOVAR-QWHCGFSZSA-N 1 1 310.825 2.307 20 10 DECDMO Cc1cc(O)c(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c(Cl)c1 ZINC000840890791 650371741 /nfs/dbraw/zinc/37/17/41/650371741.db2.gz RJFJNEARDNOVAR-QWHCGFSZSA-N 1 1 310.825 2.307 20 10 DECDMO CCC[N@H+](Cc1nc(CCOC)no1)Cc1ccccc1O ZINC000103479478 637887918 /nfs/dbraw/zinc/88/79/18/637887918.db2.gz CAWLIGAWRLDPLK-UHFFFAOYSA-N 1 1 305.378 2.376 20 10 DECDMO CCC[N@@H+](Cc1nc(CCOC)no1)Cc1ccccc1O ZINC000103479478 637887926 /nfs/dbraw/zinc/88/79/26/637887926.db2.gz CAWLIGAWRLDPLK-UHFFFAOYSA-N 1 1 305.378 2.376 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)ccc1[N+](=O)[O-] ZINC000840964351 650396380 /nfs/dbraw/zinc/39/63/80/650396380.db2.gz QWIIBVLAUYLDIU-UMNHJUIQSA-N 1 1 310.350 2.212 20 10 DECDMO CCOc1cccc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c1O ZINC000895722624 638167098 /nfs/dbraw/zinc/16/70/98/638167098.db2.gz YAWOLOLSNWRHMH-OAHLLOKOSA-N 1 1 321.417 2.154 20 10 DECDMO COc1ccc(C[N@H+]2CCO[C@H](C(F)F)CC2)c(O)c1OC ZINC000895754808 638182111 /nfs/dbraw/zinc/18/21/11/638182111.db2.gz RLJHEMATKUGGJH-LBPRGKRZSA-N 1 1 317.332 2.265 20 10 DECDMO COc1cccc(O)c1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044001 650412725 /nfs/dbraw/zinc/41/27/25/650412725.db2.gz SPHHQWJSFATYLG-INIZCTEOSA-N 1 1 315.417 2.256 20 10 DECDMO COc1cccc(C[N@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000896395753 638500467 /nfs/dbraw/zinc/50/04/67/638500467.db2.gz KVDLOGRWMJHENY-DYVFJYSZSA-N 1 1 320.389 2.111 20 10 DECDMO Cc1ccc(C[N@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c(O)c1 ZINC000896398817 638503468 /nfs/dbraw/zinc/50/34/68/638503468.db2.gz WVHGPRPEXJHNAK-RHSMWYFYSA-N 1 1 304.390 2.411 20 10 DECDMO COc1cc(O)c(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000841088536 650427661 /nfs/dbraw/zinc/42/76/61/650427661.db2.gz ZAJBADYMVLTNGW-HIFRSBDPSA-N 1 1 320.433 2.373 20 10 DECDMO [O-]c1c(Cl)cccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841087761 650427763 /nfs/dbraw/zinc/42/77/63/650427763.db2.gz SPKUCTVIVCNFOY-UHFFFAOYSA-N 1 1 323.868 2.352 20 10 DECDMO Cn1cc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)nn1 ZINC000753568771 639314297 /nfs/dbraw/zinc/31/42/97/639314297.db2.gz AJLNCYKPZIYRGG-UHFFFAOYSA-N 1 1 324.384 2.390 20 10 DECDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000753597654 639319124 /nfs/dbraw/zinc/31/91/24/639319124.db2.gz ZDLJSFCLUDQILD-CYBMUJFWSA-N 1 1 307.390 2.376 20 10 DECDMO C[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCC3)c2c1c(F)ccc2O ZINC000756389333 639657491 /nfs/dbraw/zinc/65/74/91/639657491.db2.gz BVCVGSNDSVZWEY-ONGXEEELSA-N 1 1 302.353 2.407 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000756647339 639680723 /nfs/dbraw/zinc/68/07/23/639680723.db2.gz 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641070541 /nfs/dbraw/zinc/07/05/41/641070541.db2.gz NENOJWOKMXDVOJ-UHFFFAOYSA-N 1 1 320.433 2.481 20 10 DECDMO CCOC(=O)[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000768448721 641083292 /nfs/dbraw/zinc/08/32/92/641083292.db2.gz WUIVXIVLKVPMPZ-QGZVFWFLSA-N 1 1 319.401 2.035 20 10 DECDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000768448721 641083296 /nfs/dbraw/zinc/08/32/96/641083296.db2.gz WUIVXIVLKVPMPZ-QGZVFWFLSA-N 1 1 319.401 2.035 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCOC3)C1)[C@@H](O)CO2 ZINC000768461861 641084563 /nfs/dbraw/zinc/08/45/63/641084563.db2.gz GQTSOKSVXDHWBT-AHIWAGSCSA-N 1 1 319.401 2.067 20 10 DECDMO COc1cc(O)c(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000841039645 641145536 /nfs/dbraw/zinc/14/55/36/641145536.db2.gz XWUDUIBPOAXGAI-AWEZNQCLSA-N 1 1 308.422 2.407 20 10 DECDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1OC ZINC000769120318 641179259 /nfs/dbraw/zinc/17/92/59/641179259.db2.gz KWYHKGOKCSWHAY-AWEZNQCLSA-N 1 1 306.406 2.234 20 10 DECDMO CCOc1ccc(C[N@H+](CC(N)=O)Cc2ccccc2)c(O)c1 ZINC000769398818 641233562 /nfs/dbraw/zinc/23/35/62/641233562.db2.gz FPVXFJWRWWPFCM-UHFFFAOYSA-N 1 1 314.385 2.278 20 10 DECDMO CCOc1ccc(C[N@@H+](CC(N)=O)Cc2ccccc2)c(O)c1 ZINC000769398818 641233567 /nfs/dbraw/zinc/23/35/67/641233567.db2.gz FPVXFJWRWWPFCM-UHFFFAOYSA-N 1 1 314.385 2.278 20 10 DECDMO Oc1c(Br)cccc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000769443285 641241029 /nfs/dbraw/zinc/24/10/29/641241029.db2.gz SUTRQVWSAJGRMA-GXFFZTMASA-N 1 1 311.223 2.339 20 10 DECDMO COC(=O)C[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CCOCC1 ZINC000769517031 641255219 /nfs/dbraw/zinc/25/52/19/641255219.db2.gz NIVXKUSRJFYXNY-UHFFFAOYSA-N 1 1 324.396 2.046 20 10 DECDMO COC(=O)C[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CCOCC1 ZINC000769517031 641255228 /nfs/dbraw/zinc/25/52/28/641255228.db2.gz NIVXKUSRJFYXNY-UHFFFAOYSA-N 1 1 324.396 2.046 20 10 DECDMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2CC2CC2)c2c1c(F)ccc2O ZINC000769989178 641317837 /nfs/dbraw/zinc/31/78/37/641317837.db2.gz QCOVLWQPRLJBTN-JOYOIKCWSA-N 1 1 317.368 2.266 20 10 DECDMO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2CC2CC2)c(O)c1C ZINC000769987054 641318023 /nfs/dbraw/zinc/31/80/23/641318023.db2.gz IWWPVRPZXKZTNH-GFCCVEGCSA-N 1 1 301.394 2.256 20 10 DECDMO COc1ccc(N2CCC[N@H+](CN3CCSC3=O)CC2)cc1 ZINC000054570467 641363507 /nfs/dbraw/zinc/36/35/07/641363507.db2.gz MAAMPWDKOJTIKT-UHFFFAOYSA-N 1 1 321.446 2.334 20 10 DECDMO COc1ccc(N2CCC[N@@H+](CN3CCSC3=O)CC2)cc1 ZINC000054570467 641363511 /nfs/dbraw/zinc/36/35/11/641363511.db2.gz MAAMPWDKOJTIKT-UHFFFAOYSA-N 1 1 321.446 2.334 20 10 DECDMO CCOc1ccc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c(O)c1 ZINC000770388010 641364268 /nfs/dbraw/zinc/36/42/68/641364268.db2.gz SJVOTRPNZPTANX-AWEZNQCLSA-N 1 1 316.405 2.295 20 10 DECDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1O ZINC000770509735 641379085 /nfs/dbraw/zinc/37/90/85/641379085.db2.gz RYMDTKQMRZEBCO-GFCCVEGCSA-N 1 1 320.414 2.233 20 10 DECDMO CCOc1ccc(C[N@@H+]2CCO[C@H](COC(C)C)C2)c(O)c1 ZINC000770689121 641408706 /nfs/dbraw/zinc/40/87/06/641408706.db2.gz NQVJMEUGVJVXTK-INIZCTEOSA-N 1 1 309.406 2.417 20 10 DECDMO CCOc1ccc(C[N@H+]2CCO[C@H](COC(C)C)C2)c(O)c1 ZINC000770689121 641408707 /nfs/dbraw/zinc/40/87/07/641408707.db2.gz NQVJMEUGVJVXTK-INIZCTEOSA-N 1 1 309.406 2.417 20 10 DECDMO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cc(F)cc(F)c1O ZINC000926953893 641534167 /nfs/dbraw/zinc/53/41/67/641534167.db2.gz PUXSDUNQINIHLQ-VIFPVBQESA-N 1 1 321.389 2.392 20 10 DECDMO COCCC(C)(C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771842769 641558821 /nfs/dbraw/zinc/55/88/21/641558821.db2.gz LHUXBZTWPSOWEC-UHFFFAOYSA-N 1 1 305.466 2.343 20 10 DECDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000771869286 641563392 /nfs/dbraw/zinc/56/33/92/641563392.db2.gz SNCSGADGHLXVDO-DOTOQJQBSA-N 1 1 303.450 2.096 20 10 DECDMO CC[C@H]1C(=O)NCCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000898559212 641704588 /nfs/dbraw/zinc/70/45/88/641704588.db2.gz ILJNWXBEQDYVLW-WVRJYTFGSA-N 1 1 301.434 2.366 20 10 DECDMO CCN(C)c1ccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000773764594 641822450 /nfs/dbraw/zinc/82/24/50/641822450.db2.gz AAOWJTFBMRPSFR-IRXDYDNUSA-N 1 1 301.434 2.386 20 10 DECDMO CCN(C)c1ccc(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000773764594 641822454 /nfs/dbraw/zinc/82/24/54/641822454.db2.gz AAOWJTFBMRPSFR-IRXDYDNUSA-N 1 1 301.434 2.386 20 10 DECDMO C[C@@H]([NH2+]CCc1nnnn1C)c1cc(Cl)c(Cl)cc1O ZINC000774229367 641879807 /nfs/dbraw/zinc/87/98/07/641879807.db2.gz FXUXTPHLXPRQMG-SSDOTTSWSA-N 1 1 316.192 2.116 20 10 DECDMO COc1ccc(O)c(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000775649516 642072716 /nfs/dbraw/zinc/07/27/16/642072716.db2.gz SLBOFNPYRKUCJG-UHFFFAOYSA-N 1 1 320.433 2.481 20 10 DECDMO COC[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775689377 642080194 /nfs/dbraw/zinc/08/01/94/642080194.db2.gz DYLUHZBHTLBANP-GOSISDBHSA-N 1 1 317.477 2.297 20 10 DECDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775689377 642080197 /nfs/dbraw/zinc/08/01/97/642080197.db2.gz DYLUHZBHTLBANP-GOSISDBHSA-N 1 1 317.477 2.297 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@@H+](CC(N)=O)C(C)C)c1 ZINC000781895605 642795744 /nfs/dbraw/zinc/79/57/44/642795744.db2.gz WELCBWDFLYZLLA-UHFFFAOYSA-N 1 1 315.211 2.159 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@H+](CC(N)=O)C(C)C)c1 ZINC000781895605 642795745 /nfs/dbraw/zinc/79/57/45/642795745.db2.gz WELCBWDFLYZLLA-UHFFFAOYSA-N 1 1 315.211 2.159 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000781895139 642796216 /nfs/dbraw/zinc/79/62/16/642796216.db2.gz NZKNMRMJGGBIJG-NSHDSACASA-N 1 1 300.196 2.420 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000781895139 642796218 /nfs/dbraw/zinc/79/62/18/642796218.db2.gz NZKNMRMJGGBIJG-NSHDSACASA-N 1 1 300.196 2.420 20 10 DECDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c(O)cc1C ZINC000842617821 650783757 /nfs/dbraw/zinc/78/37/57/650783757.db2.gz WVAZLQQHBFXJGF-CQSZACIVSA-N 1 1 314.389 2.186 20 10 DECDMO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccc(OCC)cc1O ZINC000783741535 643046094 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/nfs/dbraw/zinc/25/18/72/403251872.db2.gz LKTZSUVIBUBOBY-MRXNPFEDSA-N 1 1 301.390 2.307 20 10 DECDMO Cn1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000271001573 403251874 /nfs/dbraw/zinc/25/18/74/403251874.db2.gz LKTZSUVIBUBOBY-MRXNPFEDSA-N 1 1 301.390 2.307 20 10 DECDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000271080375 403261979 /nfs/dbraw/zinc/26/19/79/403261979.db2.gz INJXTAFKYDSRIA-VIFPVBQESA-N 1 1 314.179 2.150 20 10 DECDMO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1Cc1ccccc1O ZINC000292884407 403381358 /nfs/dbraw/zinc/38/13/58/403381358.db2.gz YBXZDEKFOFZEAY-ZYHUDNBSSA-N 1 1 316.323 2.424 20 10 DECDMO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1Cc1ccccc1O ZINC000292884407 403381361 /nfs/dbraw/zinc/38/13/61/403381361.db2.gz YBXZDEKFOFZEAY-ZYHUDNBSSA-N 1 1 316.323 2.424 20 10 DECDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000293298233 403436539 /nfs/dbraw/zinc/43/65/39/403436539.db2.gz KQMWUXREHHYLNQ-OAHLLOKOSA-N 1 1 310.463 2.009 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000293298233 403436545 /nfs/dbraw/zinc/43/65/45/403436545.db2.gz KQMWUXREHHYLNQ-OAHLLOKOSA-N 1 1 310.463 2.009 20 10 DECDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@@H]1OC ZINC000293667357 403532687 /nfs/dbraw/zinc/53/26/87/403532687.db2.gz QDMWOKPPLSSXCF-BNOWGMLFSA-N 1 1 303.761 2.467 20 10 DECDMO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293717721 403546384 /nfs/dbraw/zinc/54/63/84/403546384.db2.gz VHCDKQCWBCVBLB-UHFFFAOYSA-N 1 1 323.817 2.488 20 10 DECDMO COc1cc(O)c(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1OC ZINC000294073948 403641202 /nfs/dbraw/zinc/64/12/02/403641202.db2.gz YQFJLFDOJJWSBF-MRXNPFEDSA-N 1 1 307.390 2.289 20 10 DECDMO COc1cc(O)c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000362239362 403938115 /nfs/dbraw/zinc/93/81/15/403938115.db2.gz RWYOFTOACBNJFM-KBPBESRZSA-N 1 1 306.406 2.126 20 10 DECDMO COc1cc(O)c(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000362239362 403938121 /nfs/dbraw/zinc/93/81/21/403938121.db2.gz RWYOFTOACBNJFM-KBPBESRZSA-N 1 1 306.406 2.126 20 10 DECDMO COc1cccc(C[N@H+]2CCCC[C@H]2COC(=O)N(C)C)c1O ZINC000289821468 404000704 /nfs/dbraw/zinc/00/07/04/404000704.db2.gz TXVOTDXFLMUDAE-AWEZNQCLSA-N 1 1 322.405 2.454 20 10 DECDMO CC(C)[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCN(C)CC1 ZINC000295909321 404019309 /nfs/dbraw/zinc/01/93/09/404019309.db2.gz JCZXMMUUZGFQCX-SJORKVTESA-N 1 1 317.477 2.241 20 10 DECDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(OC)ccc1O ZINC000290277587 404108515 /nfs/dbraw/zinc/10/85/15/404108515.db2.gz YRPKGRMOQUKLTK-CYBMUJFWSA-N 1 1 308.378 2.111 20 10 DECDMO CC[C@H]([NH2+]CCS(=O)(=O)C(C)C)c1ccc(F)cc1O ZINC000290502311 404197548 /nfs/dbraw/zinc/19/75/48/404197548.db2.gz YGTJQXBZBMCXNK-ZDUSSCGKSA-N 1 1 303.399 2.395 20 10 DECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1cc[nH+]c1C ZINC000296950248 404386495 /nfs/dbraw/zinc/38/64/95/404386495.db2.gz AHQPYNNFJRINIK-UHFFFAOYSA-N 1 1 300.406 2.306 20 10 DECDMO C[N@H+]1CCC[C@H](N2CCN(Cc3cc(Cl)ccc3O)CC2)C1 ZINC000367472808 405061641 /nfs/dbraw/zinc/06/16/41/405061641.db2.gz WFMLLHNNGLXXIO-INIZCTEOSA-N 1 1 323.868 2.257 20 10 DECDMO COc1ccc(O)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000367752031 405143008 /nfs/dbraw/zinc/14/30/08/405143008.db2.gz FMMXFXXFEFHJCA-UWWQBHOKSA-N 1 1 320.433 2.084 20 10 DECDMO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1O ZINC000375470883 227151180 /nfs/dbraw/zinc/15/11/80/227151180.db2.gz QUNLWNXARALNFY-HUUCEWRRSA-N 1 1 319.401 2.361 20 10 DECDMO CCOc1cccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1O ZINC000375470883 227151186 /nfs/dbraw/zinc/15/11/86/227151186.db2.gz QUNLWNXARALNFY-HUUCEWRRSA-N 1 1 319.401 2.361 20 10 DECDMO CSc1ccc(N(C)C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1 ZINC000662586216 425685878 /nfs/dbraw/zinc/68/58/78/425685878.db2.gz QWCKTDRHGCUKKH-NSHDSACASA-N 1 1 316.430 2.485 20 10 DECDMO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCc2c1cccc2Cl ZINC000662605265 425691911 /nfs/dbraw/zinc/69/19/11/425691911.db2.gz KWAOLHUCBVBZHS-JTQLQIEISA-N 1 1 316.792 2.343 20 10 DECDMO Cc1cc(C[N@H+](C)[C@@H](C)CN2CCOCC2)ccc1N(C)C ZINC000294000064 301270998 /nfs/dbraw/zinc/27/09/98/301270998.db2.gz FZNUYBGABPFVLX-INIZCTEOSA-N 1 1 305.466 2.214 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@H+](C)CC(=O)N2CCCC2)cc1 ZINC000835025625 649867937 /nfs/dbraw/zinc/86/79/37/649867937.db2.gz LMRXJVJUFYPEFK-VOTSOKGWSA-N 1 1 301.434 2.320 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CC(=O)N2CCCC2)cc1 ZINC000835025625 649867938 /nfs/dbraw/zinc/86/79/38/649867938.db2.gz LMRXJVJUFYPEFK-VOTSOKGWSA-N 1 1 301.434 2.320 20 10 DECDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000373642282 534200614 /nfs/dbraw/zinc/20/06/14/534200614.db2.gz ULWBCQWTIIGDPK-CXAGYDPISA-N 1 1 307.390 2.171 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@@H+](C)[C@@H]2CCCCNC2=O)cc1 ZINC000835029392 649868990 /nfs/dbraw/zinc/86/89/90/649868990.db2.gz XKVWESYRRSTUDM-DKRLNXSXSA-N 1 1 301.434 2.366 20 10 DECDMO CN(C)c1ccc(/C=C\C[NH2+]CCCCN2CCOCC2)cc1 ZINC000835035587 649870039 /nfs/dbraw/zinc/87/00/39/649870039.db2.gz KZNZJEBFCFSLMS-WAYWQWQTSA-N 1 1 317.477 2.468 20 10 DECDMO Cc1cccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1O ZINC000180031624 524391992 /nfs/dbraw/zinc/39/19/92/524391992.db2.gz SRPRUPUFYCDIFI-MRXNPFEDSA-N 1 1 304.434 2.245 20 10 DECDMO CN(C)c1ccc(/C=C\C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1 ZINC000835054994 649872746 /nfs/dbraw/zinc/87/27/46/649872746.db2.gz PBTBCTFMTXXJJQ-DHJFXDNESA-N 1 1 315.461 2.171 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000835056491 649873098 /nfs/dbraw/zinc/87/30/98/649873098.db2.gz VHVIBBFOCSAMLF-DWTRPJMMSA-N 1 1 322.474 2.132 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000835056491 649873101 /nfs/dbraw/zinc/87/31/01/649873101.db2.gz VHVIBBFOCSAMLF-DWTRPJMMSA-N 1 1 322.474 2.132 20 10 DECDMO Cc1cc(N(C)C)ccc1C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000840910676 625576506 /nfs/dbraw/zinc/57/65/06/625576506.db2.gz WLCNBYIUBCUZJW-LJQANCHMSA-N 1 1 317.477 2.358 20 10 DECDMO COC(=O)[C@H](C)C[N@H+](C)Cc1cccc(Br)c1O ZINC000091986329 624794206 /nfs/dbraw/zinc/79/42/06/624794206.db2.gz LGONAFORDZIOIB-SECBINFHSA-N 1 1 316.195 2.396 20 10 DECDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1cccc(Br)c1O ZINC000091986329 624794209 /nfs/dbraw/zinc/79/42/09/624794209.db2.gz LGONAFORDZIOIB-SECBINFHSA-N 1 1 316.195 2.396 20 10 DECDMO COc1ccc(CNC[C@H](C)C[NH+]2CCCC2)c(O)c1OC ZINC000892622907 625200677 /nfs/dbraw/zinc/20/06/77/625200677.db2.gz UYXMVJXXZNRYNL-ZDUSSCGKSA-N 1 1 308.422 2.231 20 10 DECDMO COc1ccc(O)c(C[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC000921740249 634817915 /nfs/dbraw/zinc/81/79/15/634817915.db2.gz HPXAKHYANKBXDQ-UHFFFAOYSA-N 1 1 312.167 2.176 20 10 DECDMO COc1ccc(C[N@@H+]2CCc3ncsc3C2)c(O)c1OC ZINC000893888258 636052273 /nfs/dbraw/zinc/05/22/73/636052273.db2.gz VRWFIKMNJDYBFZ-UHFFFAOYSA-N 1 1 306.387 2.424 20 10 DECDMO COc1ccc(C[N@H+]2CCc3ncsc3C2)c(O)c1OC ZINC000893888258 636052274 /nfs/dbraw/zinc/05/22/74/636052274.db2.gz VRWFIKMNJDYBFZ-UHFFFAOYSA-N 1 1 306.387 2.424 20 10 DECDMO Nc1ccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000261552941 635890587 /nfs/dbraw/zinc/89/05/87/635890587.db2.gz SBUZSMAADWUXBL-SFHVURJKSA-N 1 1 309.413 2.202 20 10 DECDMO COC(=O)c1c(C[N@@H+](C)[C@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894002940 636088502 /nfs/dbraw/zinc/08/85/02/636088502.db2.gz YTHMAPKSYPZFJH-LBPRGKRZSA-N 1 1 320.364 2.325 20 10 DECDMO CCN1CCC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1=O ZINC000922640328 636295584 /nfs/dbraw/zinc/29/55/84/636295584.db2.gz SWEGIWZVGORZRA-NSHDSACASA-N 1 1 300.761 2.285 20 10 DECDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC000838478863 637582459 /nfs/dbraw/zinc/58/24/59/637582459.db2.gz NATAKMZYAADICK-INIZCTEOSA-N 1 1 318.465 2.297 20 10 DECDMO CCn1nncc1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000838798543 637652467 /nfs/dbraw/zinc/65/24/67/637652467.db2.gz IBFKBOKMKSPEEJ-UHFFFAOYSA-N 1 1 315.421 2.019 20 10 DECDMO COc1cc(O)c(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1OC ZINC000839167940 637807847 /nfs/dbraw/zinc/80/78/47/637807847.db2.gz BFADGFFCFOESCY-UHFFFAOYSA-N 1 1 320.393 2.115 20 10 DECDMO CCOC(=O)[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000741242429 637954721 /nfs/dbraw/zinc/95/47/21/637954721.db2.gz PBGQOZVBGWOXOJ-KRWDZBQOSA-N 1 1 315.369 2.309 20 10 DECDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000741242429 637954724 /nfs/dbraw/zinc/95/47/24/637954724.db2.gz PBGQOZVBGWOXOJ-KRWDZBQOSA-N 1 1 315.369 2.309 20 10 DECDMO C[NH+](C)CCC[C@@H]1CN(Cc2cc(F)cc(F)c2O)CCO1 ZINC000895352976 637959601 /nfs/dbraw/zinc/95/96/01/637959601.db2.gz UQPILSRNGGLMFJ-CQSZACIVSA-N 1 1 314.376 2.213 20 10 DECDMO COc1ccc(C[N@H+]2CC(C)(C)CC[C@H]2CO)c(O)c1OC ZINC000895924581 638269197 /nfs/dbraw/zinc/26/91/97/638269197.db2.gz PCVGXCPDGCFXDJ-ZDUSSCGKSA-N 1 1 309.406 2.392 20 10 DECDMO COc1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1O ZINC000841042349 650411585 /nfs/dbraw/zinc/41/15/85/650411585.db2.gz INXCFVGKPZULBJ-MRXNPFEDSA-N 1 1 315.417 2.256 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1 ZINC000896397076 638501629 /nfs/dbraw/zinc/50/16/29/638501629.db2.gz UREWZFFNVMMUGK-SUMWQHHRSA-N 1 1 320.389 2.111 20 10 DECDMO COc1ccc(N2CCC([NH2+][C@H]3CCCCNC3)CC2)cc1 ZINC000841088594 650427955 /nfs/dbraw/zinc/42/79/55/650427955.db2.gz ATBHYTPEJZHEOF-INIZCTEOSA-N 1 1 303.450 2.396 20 10 DECDMO COc1ccc(N2CCC(N[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000841088594 650427957 /nfs/dbraw/zinc/42/79/57/650427957.db2.gz ATBHYTPEJZHEOF-INIZCTEOSA-N 1 1 303.450 2.396 20 10 DECDMO CCOc1cccc(C[N@H+]2C[C@@H](C)[C@H](CC(=O)OC)C2)c1O ZINC000896472211 638531692 /nfs/dbraw/zinc/53/16/92/638531692.db2.gz KMBXYWOVSLRHJT-TZMCWYRMSA-N 1 1 307.390 2.422 20 10 DECDMO C[C@@H](C[C@H]1CCC[NH2+]1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841095981 650429635 /nfs/dbraw/zinc/42/96/35/650429635.db2.gz PXNRNUYWOZUZCD-GOEBONIOSA-N 1 1 321.440 2.283 20 10 DECDMO COC(=O)CCCN1CCC([NH2+]Cc2c(O)cccc2F)CC1 ZINC000896636895 638620692 /nfs/dbraw/zinc/62/06/92/638620692.db2.gz IONPWJDZDBFBBD-UHFFFAOYSA-N 1 1 324.396 2.039 20 10 DECDMO CC(C)(C[NH2+]Cc1cc(Cl)c(F)cc1O)CS(C)(=O)=O ZINC000896870602 638748236 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Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)[nH]1 ZINC000839540633 639752636 /nfs/dbraw/zinc/75/26/36/639752636.db2.gz CAWMFAGUNUVZKG-STQMWFEESA-N 1 1 315.421 2.362 20 10 DECDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCc1ccc(N)cc1 ZINC000841829459 650574013 /nfs/dbraw/zinc/57/40/13/650574013.db2.gz PWKOJPUGJJLOQL-QGZVFWFLSA-N 1 1 318.465 2.375 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)ccc1[N+](=O)[O-] ZINC000897506332 640511653 /nfs/dbraw/zinc/51/16/53/640511653.db2.gz ZGABOWFMKLEBPM-GXTWGEPZSA-N 1 1 322.361 2.356 20 10 DECDMO COc1cccc(O)c1C[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000768204218 641059379 /nfs/dbraw/zinc/05/93/79/641059379.db2.gz SLEKHVFBSOEWRC-UHFFFAOYSA-N 1 1 317.389 2.015 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CCc3sccc3C1)[C@@H](O)CO2 ZINC000768441944 641082793 /nfs/dbraw/zinc/08/27/93/641082793.db2.gz RBSSMBBKHDXKBQ-AWEZNQCLSA-N 1 1 303.383 2.438 20 10 DECDMO O=C(NCc1ccccc1O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000769362304 641224251 /nfs/dbraw/zinc/22/42/51/641224251.db2.gz 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C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000907272161 644488233 /nfs/dbraw/zinc/48/82/33/644488233.db2.gz FJXAFEKTIBSERM-WCQYABFASA-N 1 1 306.406 2.018 20 10 DECDMO CCCC[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000843426505 650973146 /nfs/dbraw/zinc/97/31/46/650973146.db2.gz XNEAEQCHTKILRH-OAHLLOKOSA-N 1 1 312.366 2.340 20 10 DECDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000843433324 650974443 /nfs/dbraw/zinc/97/44/43/650974443.db2.gz XMTTTYAOBXADEW-AWEZNQCLSA-N 1 1 316.323 2.201 20 10 DECDMO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc(N2CCOCC2)cc1 ZINC000798955428 645103307 /nfs/dbraw/zinc/10/33/07/645103307.db2.gz PVUBTHSKEVYVJN-OAHLLOKOSA-N 1 1 320.433 2.297 20 10 DECDMO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccc(N2CCOCC2)cc1 ZINC000798955428 645103310 /nfs/dbraw/zinc/10/33/10/645103310.db2.gz PVUBTHSKEVYVJN-OAHLLOKOSA-N 1 1 320.433 2.297 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](c3ccccn3)C1)[C@@H](O)CO2 ZINC000799158394 645135739 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CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000806663079 645859514 /nfs/dbraw/zinc/85/95/14/645859514.db2.gz LSPCNNSXVSMMHU-CABZTGNLSA-N 1 1 300.399 2.050 20 10 DECDMO C[N@H+](CCNCc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000103716026 645935970 /nfs/dbraw/zinc/93/59/70/645935970.db2.gz VPPSSLASBFAFOC-UHFFFAOYSA-N 1 1 317.477 2.487 20 10 DECDMO C[N@@H+](CCNCc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000103716026 645935980 /nfs/dbraw/zinc/93/59/80/645935980.db2.gz VPPSSLASBFAFOC-UHFFFAOYSA-N 1 1 317.477 2.487 20 10 DECDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c1 ZINC000840096005 645953215 /nfs/dbraw/zinc/95/32/15/645953215.db2.gz PYXKZUUGDTZOFJ-AWEZNQCLSA-N 1 1 304.390 2.283 20 10 DECDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(OC)cc1O ZINC000807548950 645962119 /nfs/dbraw/zinc/96/21/19/645962119.db2.gz IRLYDZPYIUTMFJ-AWEZNQCLSA-N 1 1 321.421 2.074 20 10 DECDMO Cn1cnc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000808378892 646075895 /nfs/dbraw/zinc/07/58/95/646075895.db2.gz AEEXVFKLCCTSQV-UHFFFAOYSA-N 1 1 302.447 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CCN(CC)c1ccc(C[N@H+]2CCN(C[C@H](C)O)C[C@@H]2C)cc1 ZINC000793591023 644276970 /nfs/dbraw/zinc/27/69/70/644276970.db2.gz QKJRSBKOOFZQJA-IRXDYDNUSA-N 1 1 319.493 2.420 20 10 DECDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1c(O)ccc3ccncc31)CCO2 ZINC000794658627 644455557 /nfs/dbraw/zinc/45/55/57/644455557.db2.gz CKRHVYJMWDHGNY-FZKQIMNGSA-N 1 1 314.385 2.320 20 10 DECDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000907274997 644488930 /nfs/dbraw/zinc/48/89/30/644488930.db2.gz UKSQZOWWONMNPY-SNPRPXQTSA-N 1 1 318.417 2.162 20 10 DECDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1[O-] ZINC000843364069 650958200 /nfs/dbraw/zinc/95/82/00/650958200.db2.gz NTUADPNRHUGMLO-UHFFFAOYSA-N 1 1 306.381 2.309 20 10 DECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1[O-] ZINC000843364069 650958205 /nfs/dbraw/zinc/95/82/05/650958205.db2.gz NTUADPNRHUGMLO-UHFFFAOYSA-N 1 1 306.381 2.309 20 10 DECDMO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC000839917781 645296350 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O=C1NC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3O)CCN12 ZINC000091864489 355611347 /nfs/dbraw/zinc/61/13/47/355611347.db2.gz KDCQCCNSTKIFAO-KRWDZBQOSA-N 1 1 323.396 2.269 20 10 DECDMO COc1cccc(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c1O ZINC000091832994 193113808 /nfs/dbraw/zinc/11/38/08/193113808.db2.gz YQSOTNWRVXRKNQ-ZDUSSCGKSA-N 1 1 303.362 2.472 20 10 DECDMO CCOc1ccc(O)c(C[N@@H+](CCO)Cc2cccnc2)c1 ZINC000093086342 193202204 /nfs/dbraw/zinc/20/22/04/193202204.db2.gz WPAKSYNMTHZCEJ-UHFFFAOYSA-N 1 1 302.374 2.180 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)c1 ZINC000273582552 130140142 /nfs/dbraw/zinc/14/01/42/130140142.db2.gz NBHIOGTUZMWPER-MBNYWOFBSA-N 1 1 323.389 2.023 20 10 DECDMO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)c(O)c1C ZINC000273594143 130141481 /nfs/dbraw/zinc/14/14/81/130141481.db2.gz QBAPJKCNOUOVAZ-GOEBONIOSA-N 1 1 305.466 2.296 20 10 DECDMO COc1ccc(C[NH2+][C@H](C)CCN2CCN(C)CC2)cc1C ZINC000274404494 130232906 /nfs/dbraw/zinc/23/29/06/130232906.db2.gz BRYBRGGGQLIIKY-MRXNPFEDSA-N 1 1 305.466 2.119 20 10 DECDMO CCC(CC)[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278473376 130694986 /nfs/dbraw/zinc/69/49/86/130694986.db2.gz HVYNKFYFCIICEY-CYBMUJFWSA-N 1 1 312.366 2.196 20 10 DECDMO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(F)cc1O ZINC000287276794 131273144 /nfs/dbraw/zinc/27/31/44/131273144.db2.gz CSIFKPQLEUKFJQ-LBPRGKRZSA-N 1 1 301.383 2.149 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@@H]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000289555184 131395642 /nfs/dbraw/zinc/39/56/42/131395642.db2.gz IREKANVMZIWSOT-QWRGUYRKSA-N 1 1 310.350 2.071 20 10 DECDMO COc1c(O)c(C[NH2+][C@@H](CCO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000290904404 131527229 /nfs/dbraw/zinc/52/72/29/131527229.db2.gz OHASXEBYVSAMMQ-LBPRGKRZSA-N 1 1 312.366 2.196 20 10 DECDMO C[C@H](CNC(=O)NCc1ccccc1O)[N@H+]1CCC[C@H](C)C1 ZINC000299517329 132109609 /nfs/dbraw/zinc/10/96/09/132109609.db2.gz PKOJICTWEXZNDD-UONOGXRCSA-N 1 1 305.422 2.312 20 10 DECDMO Cc1cc(CN2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)no1 ZINC000120574825 401994597 /nfs/dbraw/zinc/99/45/97/401994597.db2.gz IBDPCSMIAIPURK-UHFFFAOYSA-N 1 1 314.433 2.367 20 10 DECDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000151064147 402013949 /nfs/dbraw/zinc/01/39/49/402013949.db2.gz HEFOAAPBRXKJCQ-MDZRGWNJSA-N 1 1 317.477 2.342 20 10 DECDMO Cc1ccc(O)c(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000103855723 402194450 /nfs/dbraw/zinc/19/44/50/402194450.db2.gz GOAMRDWDVUOBBD-KRWDZBQOSA-N 1 1 305.466 2.062 20 10 DECDMO COc1c(O)c(C[N@H+](CCO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000278212296 286186707 /nfs/dbraw/zinc/18/67/07/286186707.db2.gz KILFBJYXEFTFKW-UHFFFAOYSA-N 1 1 324.377 2.436 20 10 DECDMO COc1c(O)c(C[N@@H+](CCO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000278212296 286186708 /nfs/dbraw/zinc/18/67/08/286186708.db2.gz KILFBJYXEFTFKW-UHFFFAOYSA-N 1 1 324.377 2.436 20 10 DECDMO COC(=O)C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000176140492 402282614 /nfs/dbraw/zinc/28/26/14/402282614.db2.gz NMZMQXVBLAKCDY-CQSZACIVSA-N 1 1 315.369 2.309 20 10 DECDMO COC(=O)C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000176140492 402282617 /nfs/dbraw/zinc/28/26/17/402282617.db2.gz NMZMQXVBLAKCDY-CQSZACIVSA-N 1 1 315.369 2.309 20 10 DECDMO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000184679709 402290750 /nfs/dbraw/zinc/29/07/50/402290750.db2.gz XDBZCTHZTKWKSU-LBPRGKRZSA-N 1 1 312.797 2.155 20 10 DECDMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000184679709 402290753 /nfs/dbraw/zinc/29/07/53/402290753.db2.gz XDBZCTHZTKWKSU-LBPRGKRZSA-N 1 1 312.797 2.155 20 10 DECDMO COc1cc(O)c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1OC ZINC000160452423 402346363 /nfs/dbraw/zinc/34/63/63/402346363.db2.gz IKCDQLQXEOJXHN-IUODEOHRSA-N 1 1 307.390 2.410 20 10 DECDMO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179559118 402594609 /nfs/dbraw/zinc/59/46/09/402594609.db2.gz ZVGCOTLVPUVCOD-OAHLLOKOSA-N 1 1 300.358 2.266 20 10 DECDMO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2ccccc2O)CC1 ZINC000179565124 402595047 /nfs/dbraw/zinc/59/50/47/402595047.db2.gz RRLGILGCRHRCCB-IRXDYDNUSA-N 1 1 317.477 2.383 20 10 DECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C[C@H](C)CC)cc2=O ZINC000171950188 402634988 /nfs/dbraw/zinc/63/49/88/402634988.db2.gz XJHMOBPVCFNCFD-LLVKDONJSA-N 1 1 320.393 2.090 20 10 DECDMO COc1cc(O)c(C[N@@H+](CC2CCC2)[C@@H](C)CO)cc1OC ZINC000289586406 286238762 /nfs/dbraw/zinc/23/87/62/286238762.db2.gz UIQPYSDLTGZCGZ-LBPRGKRZSA-N 1 1 309.406 2.392 20 10 DECDMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)c1O ZINC000183466644 402770014 /nfs/dbraw/zinc/77/00/14/402770014.db2.gz HCBCOQVPZMOYGX-UHFFFAOYSA-N 1 1 300.358 2.252 20 10 DECDMO C=Cn1cc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)cn1 ZINC000194064500 402783059 /nfs/dbraw/zinc/78/30/59/402783059.db2.gz RZQHPPGZAVMANY-UHFFFAOYSA-N 1 1 316.380 2.454 20 10 DECDMO COc1c(O)c(C[NH2+][C@H](C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000278505843 402867026 /nfs/dbraw/zinc/86/70/26/402867026.db2.gz OXEUDVLUUMUAMT-SNVBAGLBSA-N 1 1 310.350 2.214 20 10 DECDMO COc1c(O)c(C[NH2+][C@@H]2CCCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000278496154 402867051 /nfs/dbraw/zinc/86/70/51/402867051.db2.gz MJZBIMGUJOKNTM-DGCLKSJQSA-N 1 1 310.350 2.356 20 10 DECDMO NC(=O)N[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000271415935 402868658 /nfs/dbraw/zinc/86/86/58/402868658.db2.gz YMRBMQAFUCALPI-INIZCTEOSA-N 1 1 311.385 2.302 20 10 DECDMO CCN1CCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278833763 402876714 /nfs/dbraw/zinc/87/67/14/402876714.db2.gz JBWJXMIUZOCNPJ-ZDUSSCGKSA-N 1 1 323.393 2.273 20 10 DECDMO COc1ccc(O)c(C[NH+]2CCN(c3ncccc3F)CC2)c1 ZINC000271790651 402884499 /nfs/dbraw/zinc/88/44/99/402884499.db2.gz IYKGHUCTGDEFPI-UHFFFAOYSA-N 1 1 317.364 2.257 20 10 DECDMO CC[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(C)cc1O ZINC000280060307 402966878 /nfs/dbraw/zinc/96/68/78/402966878.db2.gz KGDGSIYYKPSEDY-KRWDZBQOSA-N 1 1 305.466 2.379 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCN2CC=CCC2)c1 ZINC000281189884 403060397 /nfs/dbraw/zinc/06/03/97/403060397.db2.gz RDUSIKOUFAJPJB-CYBMUJFWSA-N 1 1 304.390 2.091 20 10 DECDMO Oc1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000281700897 403083000 /nfs/dbraw/zinc/08/30/00/403083000.db2.gz COGRHEWDSJLQFZ-QUCCMNQESA-N 1 1 324.424 2.477 20 10 DECDMO CCCC[N@@H+](CCCOC(=O)NC(N)=O)Cc1ccccc1O ZINC000282492346 403155687 /nfs/dbraw/zinc/15/56/87/403155687.db2.gz PXHAXFRHKCATEI-UHFFFAOYSA-N 1 1 323.393 2.189 20 10 DECDMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293408615 403464598 /nfs/dbraw/zinc/46/45/98/403464598.db2.gz HZFBMTPWAUFWRM-KRWDZBQOSA-N 1 1 303.450 2.409 20 10 DECDMO CC1(C)CN(CC[NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293583370 403510970 /nfs/dbraw/zinc/51/09/70/403510970.db2.gz JWSXTGDIRJFJQL-UHFFFAOYSA-N 1 1 316.804 2.385 20 10 DECDMO Oc1cc2c(cc1C[N@@H+]1C[C@@]3(CCCO3)[C@@H]1C1CC1)OCO2 ZINC000294214150 403674338 /nfs/dbraw/zinc/67/43/38/403674338.db2.gz YKKVJJKJILCEOQ-IRXDYDNUSA-N 1 1 303.358 2.264 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1C[C@@]3(CCCO3)[C@@H]1C1CC1)OCO2 ZINC000294214150 403674343 /nfs/dbraw/zinc/67/43/43/403674343.db2.gz YKKVJJKJILCEOQ-IRXDYDNUSA-N 1 1 303.358 2.264 20 10 DECDMO Cn1ccnc1[C@@H]([NH2+]Cc1cc(F)ccc1O)C(C)(C)CO ZINC000295136182 403771316 /nfs/dbraw/zinc/77/13/16/403771316.db2.gz YVQSAXFXUFOGDV-CQSZACIVSA-N 1 1 307.369 2.114 20 10 DECDMO CNC(=O)C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294998711 403739810 /nfs/dbraw/zinc/73/98/10/403739810.db2.gz UQEACMYFYRUTAT-UHFFFAOYSA-N 1 1 300.761 2.143 20 10 DECDMO Oc1c(Cl)cccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000362048913 403921483 /nfs/dbraw/zinc/92/14/83/403921483.db2.gz XWXXITOQUIBKHE-GJZGRUSLSA-N 1 1 310.825 2.077 20 10 DECDMO Oc1ccccc1C[N@@H+](CCc1cn[nH]c1)C[C@@H]1CCCO1 ZINC000290055959 404023917 /nfs/dbraw/zinc/02/39/17/404023917.db2.gz PBPGQBZMBFDDOZ-INIZCTEOSA-N 1 1 301.390 2.339 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1F ZINC000290430567 404165440 /nfs/dbraw/zinc/16/54/40/404165440.db2.gz LHEFPYXFEUCTAC-OAHLLOKOSA-N 1 1 319.424 2.336 20 10 DECDMO CC[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1O ZINC000367588249 405095134 /nfs/dbraw/zinc/09/51/34/405095134.db2.gz LRJKQWFHWLRLMT-DZKIICNBSA-N 1 1 308.397 2.435 20 10 DECDMO NC(=O)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000368134014 405229863 /nfs/dbraw/zinc/22/98/63/405229863.db2.gz LFWDYJFGJLTSKF-MRXNPFEDSA-N 1 1 301.434 2.374 20 10 DECDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccccc2O)C[C@H](C)O1 ZINC000245589072 225220533 /nfs/dbraw/zinc/22/05/33/225220533.db2.gz FUXUZJBDJDRDCR-HLLBOEOZSA-N 1 1 304.434 2.466 20 10 DECDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc(F)ccc1O ZINC000374900208 227140122 /nfs/dbraw/zinc/14/01/22/227140122.db2.gz URKXKCGUFATGLA-HLLBOEOZSA-N 1 1 308.397 2.215 20 10 DECDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cc(F)ccc2O)cn1 ZINC000374901691 227141698 /nfs/dbraw/zinc/14/16/98/227141698.db2.gz WXVABGXNLCFOGJ-NVXWUHKLSA-N 1 1 319.380 2.353 20 10 DECDMO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000377697553 227199129 /nfs/dbraw/zinc/19/91/29/227199129.db2.gz LVVHPITWKPYFCA-RDJZCZTQSA-N 1 1 307.390 2.171 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000377697553 227199132 /nfs/dbraw/zinc/19/91/32/227199132.db2.gz LVVHPITWKPYFCA-RDJZCZTQSA-N 1 1 307.390 2.171 20 10 DECDMO C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1[O-] ZINC000185366794 333207778 /nfs/dbraw/zinc/20/77/78/333207778.db2.gz LVLCIVBALZTVFJ-AWEZNQCLSA-N 1 1 309.429 2.210 20 10 DECDMO CN(C)c1ccc(/C=C\C[N@H+](C)CC(=O)N2CCCC2)cc1 ZINC000835025623 649868000 /nfs/dbraw/zinc/86/80/00/649868000.db2.gz LMRXJVJUFYPEFK-SREVYHEPSA-N 1 1 301.434 2.320 20 10 DECDMO CN(C)c1ccc(/C=C\C[N@@H+](C)CC(=O)N2CCCC2)cc1 ZINC000835025623 649868005 /nfs/dbraw/zinc/86/80/05/649868005.db2.gz LMRXJVJUFYPEFK-SREVYHEPSA-N 1 1 301.434 2.320 20 10 DECDMO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3nncn3C)CC2)cc1 ZINC000376507743 534003973 /nfs/dbraw/zinc/00/39/73/534003973.db2.gz QCNTUDUETPPTBI-AWEZNQCLSA-N 1 1 315.421 2.097 20 10 DECDMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3nncn3C)CC2)cc1 ZINC000376507743 534003980 /nfs/dbraw/zinc/00/39/80/534003980.db2.gz QCNTUDUETPPTBI-AWEZNQCLSA-N 1 1 315.421 2.097 20 10 DECDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181186028 519730913 /nfs/dbraw/zinc/73/09/13/519730913.db2.gz BWFBRBAQVFSKHF-CSPWOOARSA-N 1 1 318.417 2.205 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](C3CCOCC3)C1)OCO2 ZINC000372212250 534448522 /nfs/dbraw/zinc/44/85/22/534448522.db2.gz OVVUCKHLWIFQHC-CYBMUJFWSA-N 1 1 305.374 2.369 20 10 DECDMO CCOc1ccc(O)c(C[NH+]2CCN(CC(F)(F)F)CC2)c1 ZINC000179844415 521143777 /nfs/dbraw/zinc/14/37/77/521143777.db2.gz GFUPVZBXRJENHF-UHFFFAOYSA-N 1 1 318.339 2.471 20 10 DECDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181139113 521494930 /nfs/dbraw/zinc/49/49/30/521494930.db2.gz WHLAUNKWBOGAGV-KEDPEKRHSA-N 1 1 318.417 2.301 20 10 DECDMO CN(C)c1ccc(C[N@H+](CCO)Cc2cccnc2)cc1F ZINC000131792134 522173947 /nfs/dbraw/zinc/17/39/47/522173947.db2.gz JKVTYFFRRVQJDJ-UHFFFAOYSA-N 1 1 303.381 2.281 20 10 DECDMO CN(C)c1ccc(C[N@@H+](CCO)Cc2cccnc2)cc1F ZINC000131792134 522173955 /nfs/dbraw/zinc/17/39/55/522173955.db2.gz JKVTYFFRRVQJDJ-UHFFFAOYSA-N 1 1 303.381 2.281 20 10 DECDMO C[N@@H+](CCNC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000264821050 522854710 /nfs/dbraw/zinc/85/47/10/522854710.db2.gz HNUOTIGTMWTCMH-UHFFFAOYSA-N 1 1 316.449 2.180 20 10 DECDMO C[N@@H+](Cc1cc(F)ccc1O)CC(C)(C)CN1CCOCC1 ZINC000180223895 523182687 /nfs/dbraw/zinc/18/26/87/523182687.db2.gz CZRDQNHZGXGYCP-UHFFFAOYSA-N 1 1 310.413 2.322 20 10 DECDMO COc1ccc(O)c(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)c1 ZINC000180674405 524743365 /nfs/dbraw/zinc/74/33/65/524743365.db2.gz UFPTYJIQEWIKEA-NSHDSACASA-N 1 1 318.339 2.469 20 10 DECDMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180276602 527457001 /nfs/dbraw/zinc/45/70/01/527457001.db2.gz ODLUAIZFHJZUOW-WBMJQRKESA-N 1 1 319.380 2.210 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000273362006 536794039 /nfs/dbraw/zinc/79/40/39/536794039.db2.gz APPXGXOIJCTJCL-CORIIIEPSA-N 1 1 307.390 2.381 20 10 DECDMO COC(=O)N(C)CC[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC001327702293 1148627995 /nfs/dbraw/zinc/62/79/95/1148627995.db2.gz IQBOUTZISPLASM-UHFFFAOYSA-N 1 1 306.406 2.401 20 10 DECDMO CC[N@@H+]1[C@H](C)CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000930883384 625454514 /nfs/dbraw/zinc/45/45/14/625454514.db2.gz RHLIXVCEFDEDMB-CALCHBBNSA-N 1 1 317.477 2.438 20 10 DECDMO CCN1[C@H](C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000930883384 625454517 /nfs/dbraw/zinc/45/45/17/625454517.db2.gz RHLIXVCEFDEDMB-CALCHBBNSA-N 1 1 317.477 2.438 20 10 DECDMO CCN1[C@H](C)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000930883384 625454529 /nfs/dbraw/zinc/45/45/29/625454529.db2.gz RHLIXVCEFDEDMB-CALCHBBNSA-N 1 1 317.477 2.438 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@@H+](CCS(C)(=O)=O)C(C)C ZINC000840918005 625688344 /nfs/dbraw/zinc/68/83/44/625688344.db2.gz XWMCDCGAIWOJGT-UHFFFAOYSA-N 1 1 312.479 2.316 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@H+](CCS(C)(=O)=O)C(C)C ZINC000840918005 625688350 /nfs/dbraw/zinc/68/83/50/625688350.db2.gz XWMCDCGAIWOJGT-UHFFFAOYSA-N 1 1 312.479 2.316 20 10 DECDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891389027 624136536 /nfs/dbraw/zinc/13/65/36/624136536.db2.gz AFHUWGVYQBCVNU-ZDUSSCGKSA-N 1 1 323.389 2.185 20 10 DECDMO Cc1ccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c(O)c1O ZINC000177675765 625056218 /nfs/dbraw/zinc/05/62/18/625056218.db2.gz OJLSIFWDTLRUPL-WCQYABFASA-N 1 1 306.406 2.256 20 10 DECDMO CC(C)(C[NH+]1CCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000308616579 625776540 /nfs/dbraw/zinc/77/65/40/625776540.db2.gz XRPROWFEGLDYDH-UHFFFAOYSA-N 1 1 317.477 2.487 20 10 DECDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1C ZINC000294661256 625809766 /nfs/dbraw/zinc/80/97/66/625809766.db2.gz LNSQXGFSVVQOGJ-PSASIEDQSA-N 1 1 301.745 2.426 20 10 DECDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1C ZINC000294661256 625809773 /nfs/dbraw/zinc/80/97/73/625809773.db2.gz LNSQXGFSVVQOGJ-PSASIEDQSA-N 1 1 301.745 2.426 20 10 DECDMO CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009671905 633810634 /nfs/dbraw/zinc/81/06/34/633810634.db2.gz LADZZPAYFIBXII-AWEZNQCLSA-N 1 1 317.393 2.453 20 10 DECDMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009678915 633825127 /nfs/dbraw/zinc/82/51/27/633825127.db2.gz ZTDPFDRATRRDRY-ZDUSSCGKSA-N 1 1 303.366 2.063 20 10 DECDMO Fc1cc(C[N@@H+]2CCOC3(CCC3)C2)ccc1N1CCOCC1 ZINC000093640239 634204307 /nfs/dbraw/zinc/20/43/07/634204307.db2.gz XIUIJAALMOJJRG-UHFFFAOYSA-N 1 1 320.408 2.417 20 10 DECDMO Fc1cc(C[N@H+]2CCOC3(CCC3)C2)ccc1N1CCOCC1 ZINC000093640239 634204314 /nfs/dbraw/zinc/20/43/14/634204314.db2.gz XIUIJAALMOJJRG-UHFFFAOYSA-N 1 1 320.408 2.417 20 10 DECDMO CCOC(=O)C[N@H+](Cc1ccc(OC)c(OC)c1O)C1CCC1 ZINC000893641503 635626545 /nfs/dbraw/zinc/62/65/45/635626545.db2.gz WEECSZRCQVMDRL-UHFFFAOYSA-N 1 1 323.389 2.327 20 10 DECDMO CCOC(=O)C[N@@H+](Cc1ccc(OC)c(OC)c1O)C1CCC1 ZINC000893641503 635626551 /nfs/dbraw/zinc/62/65/51/635626551.db2.gz WEECSZRCQVMDRL-UHFFFAOYSA-N 1 1 323.389 2.327 20 10 DECDMO COc1cccc(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)c1O ZINC000840974690 635985631 /nfs/dbraw/zinc/98/56/31/635985631.db2.gz MWYIWWZCVPRRDD-HNNXBMFYSA-N 1 1 318.417 2.378 20 10 DECDMO COc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c(O)c1OC ZINC000893912839 636063844 /nfs/dbraw/zinc/06/38/44/636063844.db2.gz KIYICQQNKPIYEY-SCRDCRAPSA-N 1 1 309.406 2.391 20 10 DECDMO CCc1nnc(C[NH2+]Cc2ccc(OC)c(OC)c2O)s1 ZINC000894555091 637105684 /nfs/dbraw/zinc/10/56/84/637105684.db2.gz QNOVOKRUNSNCTB-UHFFFAOYSA-N 1 1 309.391 2.113 20 10 DECDMO c1cc(N2CCOCC2)ccc1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923413891 637166782 /nfs/dbraw/zinc/16/67/82/637166782.db2.gz JLGJSZPFXSXZJV-MJGOQNOKSA-N 1 1 315.461 2.097 20 10 DECDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894782103 637209505 /nfs/dbraw/zinc/20/95/05/637209505.db2.gz VTMHGIJAWJDGGV-GFCCVEGCSA-N 1 1 312.360 2.409 20 10 DECDMO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894782103 637209507 /nfs/dbraw/zinc/20/95/07/637209507.db2.gz 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/nfs/dbraw/zinc/00/86/08/638008608.db2.gz HQUXWAZORBYZED-UHFFFAOYSA-N 1 1 305.422 2.417 20 10 DECDMO CCn1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000840956013 650394018 /nfs/dbraw/zinc/39/40/18/650394018.db2.gz GVDSYMKKRRLHFU-UHFFFAOYSA-N 1 1 300.406 2.029 20 10 DECDMO Cc1cc(N(C)C)ccc1CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000840938063 650390298 /nfs/dbraw/zinc/39/02/98/650390298.db2.gz CKRLYWIIKVBWAJ-INIZCTEOSA-N 1 1 319.493 2.338 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000840949932 650393624 /nfs/dbraw/zinc/39/36/24/650393624.db2.gz CZLOULAFCQUTBW-QGZVFWFLSA-N 1 1 324.490 2.460 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1)OCO2 ZINC000840956171 650394898 /nfs/dbraw/zinc/39/48/98/650394898.db2.gz KGOGOPZMVVOEDI-CABCVRRESA-N 1 1 313.353 2.429 20 10 DECDMO OC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H]1CCCOC1 ZINC000840964280 650395670 /nfs/dbraw/zinc/39/56/70/650395670.db2.gz WBJRLSFVVGBLEI-CABZTGNLSA-N 1 1 303.761 2.062 20 10 DECDMO 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C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(O)c(O)c(O)c1 ZINC001233016754 802004754 /nfs/dbraw/zinc/00/47/54/802004754.db2.gz NGGTXVZILTVYKC-UHFFFAOYSA-N 1 1 303.314 2.164 20 10 DECDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(O)c(O)c(O)c1 ZINC001233016754 802004763 /nfs/dbraw/zinc/00/47/63/802004763.db2.gz NGGTXVZILTVYKC-UHFFFAOYSA-N 1 1 303.314 2.164 20 10 DECDMO COc1cc(O)c(C[N@@H+](C)C2(C)COC2)cc1Br ZINC001233140227 802034549 /nfs/dbraw/zinc/03/45/49/802034549.db2.gz ACVOWAPOFQWGRT-UHFFFAOYSA-N 1 1 316.195 2.384 20 10 DECDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCN3C(=O)OC[C@H]3C2)c1 ZINC001233286180 802063823 /nfs/dbraw/zinc/06/38/23/802063823.db2.gz IWEUNAIUCZTCEG-CQSZACIVSA-N 1 1 304.390 2.326 20 10 DECDMO O[C@H]1CC[NH2+][C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001217697062 802100693 /nfs/dbraw/zinc/10/06/93/802100693.db2.gz VUVLHSIBRWGTTF-GJZGRUSLSA-N 1 1 310.357 2.313 20 10 DECDMO O=C(NC1CC2(C1)CC[NH2+]CC2)c1cc(O)c(O)c(Cl)c1 ZINC001219782691 802378108 /nfs/dbraw/zinc/37/81/08/802378108.db2.gz 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[NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001580257491 1067543968 /nfs/dbraw/zinc/54/39/68/1067543968.db2.gz PFLHKFVKKSKOJQ-CQSZACIVSA-N 1 1 310.825 2.375 20 10 DECDMO CC[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3cc(O)ccc3O)C2)C1=O ZINC001272385799 1078844914 /nfs/dbraw/zinc/84/49/14/1078844914.db2.gz FMBMMALOHMLFLY-SCLBCKFNSA-N 1 1 318.417 2.321 20 10 DECDMO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC001544952523 1072555109 /nfs/dbraw/zinc/55/51/09/1072555109.db2.gz BZPZMVLDMSXMOK-LLVKDONJSA-N 1 1 315.377 2.063 20 10 DECDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001560951126 1075148703 /nfs/dbraw/zinc/14/87/03/1075148703.db2.gz YQGXVFXMISBILF-NSHDSACASA-N 1 1 312.360 2.407 20 10 DECDMO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001560951126 1075148701 /nfs/dbraw/zinc/14/87/01/1075148701.db2.gz YQGXVFXMISBILF-NSHDSACASA-N 1 1 312.360 2.407 20 10 DECDMO Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580885665 1076014195 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402444400 /nfs/dbraw/zinc/44/44/00/402444400.db2.gz PEUMHQKIXLCUGJ-KGLIPLIRSA-N 1 1 309.429 2.208 20 10 DECDMO CCCOc1ccc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(O)c1 ZINC000245699971 402480828 /nfs/dbraw/zinc/48/08/28/402480828.db2.gz CWHLQFMQHFXNSS-LSDHHAIUSA-N 1 1 322.449 2.068 20 10 DECDMO CCCOc1ccc(C[N@@H+]2CCN(C[C@@H](C)O)[C@@H](C)C2)c(O)c1 ZINC000245699971 402480830 /nfs/dbraw/zinc/48/08/30/402480830.db2.gz CWHLQFMQHFXNSS-LSDHHAIUSA-N 1 1 322.449 2.068 20 10 DECDMO CCCOc1ccc(C[N@H+]2CCN(C[C@@H](C)O)[C@@H](C)C2)c(O)c1 ZINC000245699971 402480832 /nfs/dbraw/zinc/48/08/32/402480832.db2.gz CWHLQFMQHFXNSS-LSDHHAIUSA-N 1 1 322.449 2.068 20 10 DECDMO COc1cc(O)c(C[N@@H+]2CCC[C@H]2CN2CCCC2)cc1OC ZINC000179443729 402590003 /nfs/dbraw/zinc/59/00/03/402590003.db2.gz HGURVHZKTCVECD-HNNXBMFYSA-N 1 1 320.433 2.470 20 10 DECDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2CN2CCCC2)cc1OC ZINC000179443729 402590005 /nfs/dbraw/zinc/59/00/05/402590005.db2.gz HGURVHZKTCVECD-HNNXBMFYSA-N 1 1 320.433 2.470 20 10 DECDMO CCCOc1ccc(C[N@H+]2CCCN(C(C)=O)CC2)c(O)c1 ZINC000179947514 402604470 /nfs/dbraw/zinc/60/44/70/402604470.db2.gz GLRFTNWMBHRWFL-UHFFFAOYSA-N 1 1 306.406 2.235 20 10 DECDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1O ZINC000263706886 402793959 /nfs/dbraw/zinc/79/39/59/402793959.db2.gz JJXRXVWRLGHMRT-UONOGXRCSA-N 1 1 305.422 2.312 20 10 DECDMO CCOC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278197561 402861840 /nfs/dbraw/zinc/86/18/40/402861840.db2.gz IOYQEKPDHQINBD-NSHDSACASA-N 1 1 310.350 2.167 20 10 DECDMO COc1ccc(O)c(C[NH+]2CCN(Cc3ccco3)CC2)c1 ZINC000271851950 402884793 /nfs/dbraw/zinc/88/47/93/402884793.db2.gz WJAQNTZABJIBJG-UHFFFAOYSA-N 1 1 302.374 2.312 20 10 DECDMO COc1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000280565715 403013397 /nfs/dbraw/zinc/01/33/97/403013397.db2.gz VIZFMDFZFYYISG-AHIWAGSCSA-N 1 1 307.390 2.169 20 10 DECDMO Cc1cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)ccc1N(C)C ZINC000293478522 403483483 /nfs/dbraw/zinc/48/34/83/403483483.db2.gz 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ZINC000362048912 403921834 /nfs/dbraw/zinc/92/18/34/403921834.db2.gz XWXXITOQUIBKHE-CABCVRRESA-N 1 1 310.825 2.077 20 10 DECDMO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc(F)c1[O-] ZINC000289684211 403993273 /nfs/dbraw/zinc/99/32/73/403993273.db2.gz FDXWMYRYHAWFPN-UHFFFAOYSA-N 1 1 311.445 2.237 20 10 DECDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1c(O)cccc1Cl ZINC000289846043 404004084 /nfs/dbraw/zinc/00/40/84/404004084.db2.gz UUMQXFSYURVDTN-CHWSQXEVSA-N 1 1 310.825 2.341 20 10 DECDMO CCOC1CC([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000290347152 404133916 /nfs/dbraw/zinc/13/39/16/404133916.db2.gz FVVQGDAKYJCSBP-UHFFFAOYSA-N 1 1 310.350 2.308 20 10 DECDMO CCOC1CC([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000290347152 404133922 /nfs/dbraw/zinc/13/39/22/404133922.db2.gz FVVQGDAKYJCSBP-UHFFFAOYSA-N 1 1 310.350 2.308 20 10 DECDMO C[N@@H+](CCN1CCNC1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000290423685 404162997 /nfs/dbraw/zinc/16/29/97/404162997.db2.gz UVWHDISQJZLCBP-UHFFFAOYSA-N 1 1 316.449 2.134 20 10 DECDMO COc1cccc(C[N@H+]2CCCN(CC(F)F)CC2)c1O ZINC000290525536 404205427 /nfs/dbraw/zinc/20/54/27/404205427.db2.gz QHBCMBSSWRXORT-UHFFFAOYSA-N 1 1 300.349 2.174 20 10 DECDMO CCc1nnc(C[NH2+]Cc2cc(OC)c(OC)cc2O)s1 ZINC000290915026 404356615 /nfs/dbraw/zinc/35/66/15/404356615.db2.gz NJUPKWGABOTRTF-UHFFFAOYSA-N 1 1 309.391 2.113 20 10 DECDMO c1cnn([C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000365829839 404727517 /nfs/dbraw/zinc/72/75/17/404727517.db2.gz CXVSVMKWTOKVTR-GOSISDBHSA-N 1 1 312.417 2.167 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000834895271 649858019 /nfs/dbraw/zinc/85/80/19/649858019.db2.gz APPXGXOIJCTJCL-KYOSRNDESA-N 1 1 307.390 2.381 20 10 DECDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)c1O ZINC000130799304 518278512 /nfs/dbraw/zinc/27/85/12/518278512.db2.gz APDKZHMQYHWOCF-GXTWGEPZSA-N 1 1 324.808 2.382 20 10 DECDMO CC(=O)c1cc(F)cc(C[N@@H+](C)CCCn2ccnc2)c1O ZINC000181113510 518283250 /nfs/dbraw/zinc/28/32/50/518283250.db2.gz MBPGXPISWGBACJ-UHFFFAOYSA-N 1 1 305.353 2.453 20 10 DECDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180991969 519674658 /nfs/dbraw/zinc/67/46/58/519674658.db2.gz YCKXQWBGSFBOAF-VFADXPBXSA-N 1 1 318.417 2.348 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)c1 ZINC000188120911 521149364 /nfs/dbraw/zinc/14/93/64/521149364.db2.gz UELUDJIGTJYSCI-DOMZBBRYSA-N 1 1 307.390 2.422 20 10 DECDMO COc1cc(O)c(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1OC ZINC000159830893 522771666 /nfs/dbraw/zinc/77/16/66/522771666.db2.gz GFIOMXZLAUUMQS-GFCCVEGCSA-N 1 1 307.390 2.410 20 10 DECDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nnc3n2CCCC3)c1 ZINC000182440597 524771165 /nfs/dbraw/zinc/77/11/65/524771165.db2.gz ASMJITLDLYOGGW-NSHDSACASA-N 1 1 302.378 2.179 20 10 DECDMO COc1cccc(C[NH+]2CCN(Cc3ccco3)CC2)c1O ZINC000271047229 525946312 /nfs/dbraw/zinc/94/63/12/525946312.db2.gz RUJVSAXTTRODIL-UHFFFAOYSA-N 1 1 302.374 2.312 20 10 DECDMO Cc1nc(CN2CC[NH+](Cc3cc(F)ccc3O)CC2)oc1C ZINC000180070499 526866014 /nfs/dbraw/zinc/86/60/14/526866014.db2.gz VFQKZGILVRYJJD-UHFFFAOYSA-N 1 1 319.380 2.454 20 10 DECDMO CC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1O ZINC000285507482 535804692 /nfs/dbraw/zinc/80/46/92/535804692.db2.gz DCDPUWRRZJVQHA-GXFFZTMASA-N 1 1 301.383 2.007 20 10 DECDMO c1cn(C[C@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001327803907 1148648670 /nfs/dbraw/zinc/64/86/70/1148648670.db2.gz MJZVDKUOCDVTJO-KRWDZBQOSA-N 1 1 311.433 2.400 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000840917151 625669286 /nfs/dbraw/zinc/66/92/86/625669286.db2.gz OQAAPVCADSGNCR-QGZVFWFLSA-N 1 1 317.477 2.215 20 10 DECDMO C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000840837650 624159277 /nfs/dbraw/zinc/15/92/77/624159277.db2.gz KIESQUIQWQLRKR-JGVFFNPUSA-N 1 1 303.189 2.486 20 10 DECDMO Cc1cc(N(C)C)ccc1CNC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000893054454 625081361 /nfs/dbraw/zinc/08/13/61/625081361.db2.gz XPXZUBZJHYEAGU-CQSZACIVSA-N 1 1 318.465 2.202 20 10 DECDMO COc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(O)c1OC ZINC000892590940 625176815 /nfs/dbraw/zinc/17/68/15/625176815.db2.gz ZFTHCOUMLVBCNO-ZIAGYGMSSA-N 1 1 306.406 2.126 20 10 DECDMO COc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)c(O)c1OC ZINC000892590940 625176819 /nfs/dbraw/zinc/17/68/19/625176819.db2.gz ZFTHCOUMLVBCNO-ZIAGYGMSSA-N 1 1 306.406 2.126 20 10 DECDMO COC(=O)c1c(C[N@@H+](CCO)C2CC2)c2cc(F)ccc2n1C ZINC000893944194 636071755 /nfs/dbraw/zinc/07/17/55/636071755.db2.gz USTIUJBPPMRRAM-UHFFFAOYSA-N 1 1 320.364 2.061 20 10 DECDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894046582 636098560 /nfs/dbraw/zinc/09/85/60/636098560.db2.gz WPMZCILHCGRGSX-NSHDSACASA-N 1 1 317.357 2.151 20 10 DECDMO [O-]c1c(F)cc(F)cc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000894083443 636104392 /nfs/dbraw/zinc/10/43/92/636104392.db2.gz CWKYCVYWPVRGSV-OLZOCXBDSA-N 1 1 301.358 2.377 20 10 DECDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000894083443 636104394 /nfs/dbraw/zinc/10/43/94/636104394.db2.gz CWKYCVYWPVRGSV-OLZOCXBDSA-N 1 1 301.358 2.377 20 10 DECDMO CCOCc1cc(C[NH2+][C@H](C)c2cn(C)nn2)ccc1OC ZINC000922634280 636291584 /nfs/dbraw/zinc/29/15/84/636291584.db2.gz YSJJPXCQUGKNDF-GFCCVEGCSA-N 1 1 304.394 2.211 20 10 DECDMO C[C@H](NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1ccc(N(C)C)cc1 ZINC000894285124 636687591 /nfs/dbraw/zinc/68/75/91/636687591.db2.gz JGRRVNKVDIQECD-QRTARXTBSA-N 1 1 316.449 2.159 20 10 DECDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3COC[C@H]3C)cc2F)CC1 ZINC000924995713 636783267 /nfs/dbraw/zinc/78/32/67/636783267.db2.gz IJJKWPNNQORNBW-RHSMWYFYSA-N 1 1 321.440 2.092 20 10 DECDMO C[C@@H]1[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC[N@H+]1C ZINC000928427349 637083638 /nfs/dbraw/zinc/08/36/38/637083638.db2.gz JNDKGJMRFFIACH-SCZZXKLOSA-N 1 1 306.387 2.135 20 10 DECDMO CC[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)C[C@H](C)[S@@]1=O ZINC000894748788 637189754 /nfs/dbraw/zinc/18/97/54/637189754.db2.gz WLNUWMYIUXJDTQ-UPBLURMWSA-N 1 1 311.447 2.441 20 10 DECDMO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(OC)c2O)C[C@H](C)[S@@]1=O ZINC000894748788 637189758 /nfs/dbraw/zinc/18/97/58/637189758.db2.gz WLNUWMYIUXJDTQ-UPBLURMWSA-N 1 1 311.447 2.441 20 10 DECDMO [O-]c1c(F)cc(F)cc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000894770750 637199468 /nfs/dbraw/zinc/19/94/68/637199468.db2.gz QKSHRCXYOTZIHQ-UHFFFAOYSA-N 1 1 308.328 2.450 20 10 DECDMO COc1cc(C)cc(C[N@@H+](C)C(C)(C)CN2CCOCC2)c1O ZINC000895015054 637377015 /nfs/dbraw/zinc/37/70/15/637377015.db2.gz COHZLWPIYSLCGE-UHFFFAOYSA-N 1 1 322.449 2.252 20 10 DECDMO COC1CCC([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000839172371 637809744 /nfs/dbraw/zinc/80/97/44/637809744.db2.gz NWBDUKACQAPNHD-UHFFFAOYSA-N 1 1 317.477 2.486 20 10 DECDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839499479 637897361 /nfs/dbraw/zinc/89/73/61/637897361.db2.gz VVPCZBNWJAPGRG-LSDHHAIUSA-N 1 1 303.450 2.489 20 10 DECDMO COc1ccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)c(O)c1OC ZINC000895366873 637971348 /nfs/dbraw/zinc/97/13/48/637971348.db2.gz PSHSYAFIFINXIN-QGZVFWFLSA-N 1 1 307.390 2.146 20 10 DECDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)c(C)cc3O)C[C@@H]2C1 ZINC000895575903 638089029 /nfs/dbraw/zinc/08/90/29/638089029.db2.gz KSQWUUFSMBDTDI-OKILXGFUSA-N 1 1 308.809 2.264 20 10 DECDMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c(Cl)c1 ZINC000840948395 650393284 /nfs/dbraw/zinc/39/32/84/650393284.db2.gz DTKDSYOYFZPTNY-ZBFHGGJFSA-N 1 1 310.825 2.259 20 10 DECDMO COCCOC[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000743379713 638142360 /nfs/dbraw/zinc/14/23/60/638142360.db2.gz IJDWFVCWVFEBMH-AWEZNQCLSA-N 1 1 316.401 2.425 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)ccc1[N+](=O)[O-] ZINC000840964349 650396127 /nfs/dbraw/zinc/39/61/27/650396127.db2.gz QWIIBVLAUYLDIU-NHCYSSNCSA-N 1 1 310.350 2.212 20 10 DECDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895819464 638215599 /nfs/dbraw/zinc/21/55/99/638215599.db2.gz JUGRTZPSAQKVME-JTQLQIEISA-N 1 1 320.414 2.384 20 10 DECDMO COc1c(O)c(C[N@H+]2C[C@H](OC)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000895927083 638269788 /nfs/dbraw/zinc/26/97/88/638269788.db2.gz LVJSQGABOUWFLF-ZYHUDNBSSA-N 1 1 310.350 2.308 20 10 DECDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000841044741 650412507 /nfs/dbraw/zinc/41/25/07/650412507.db2.gz YPRPKABZMLAPMZ-MRXNPFEDSA-N 1 1 314.389 2.450 20 10 DECDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc3c[nH]nc3c2)cc1 ZINC000841044587 650412515 /nfs/dbraw/zinc/41/25/15/650412515.db2.gz WNCMHPPCRWOXOR-KRWDZBQOSA-N 1 1 309.417 2.419 20 10 DECDMO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000896164930 638389157 /nfs/dbraw/zinc/38/91/57/638389157.db2.gz UIZAEVURHSMNFF-SMDDNHRTSA-N 1 1 306.406 2.451 20 10 DECDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000896395975 638501724 /nfs/dbraw/zinc/50/17/24/638501724.db2.gz WVLHXVWLCHZDKV-DYVFJYSZSA-N 1 1 304.390 2.411 20 10 DECDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000896585658 638594651 /nfs/dbraw/zinc/59/46/51/638594651.db2.gz WGVCHNMEPHSDAA-CQSZACIVSA-N 1 1 308.397 2.273 20 10 DECDMO CC[N@@H+](CCC(N)=O)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000896709617 638649284 /nfs/dbraw/zinc/64/92/84/638649284.db2.gz FRJRXJJCNLOKAW-UHFFFAOYSA-N 1 1 317.355 2.469 20 10 DECDMO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(F)cc(F)c1O ZINC000756792055 639694723 /nfs/dbraw/zinc/69/47/23/639694723.db2.gz XBPOZWRWLPCEBY-SECBINFHSA-N 1 1 308.332 2.377 20 10 DECDMO Oc1ccc2ccncc2c1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000756864337 639706811 /nfs/dbraw/zinc/70/68/11/639706811.db2.gz XKGKMGUZGKCBTL-ROUUACIJSA-N 1 1 314.385 2.320 20 10 DECDMO CCN(CC)c1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1F ZINC000757927699 639897430 /nfs/dbraw/zinc/89/74/30/639897430.db2.gz JEPYDJVCAPPPMR-INIZCTEOSA-N 1 1 321.440 2.188 20 10 DECDMO CCN(CC)c1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1F ZINC000757927699 639897433 /nfs/dbraw/zinc/89/74/33/639897433.db2.gz JEPYDJVCAPPPMR-INIZCTEOSA-N 1 1 321.440 2.188 20 10 DECDMO CC[NH+](CC)CCOCC[NH2+]Cc1c([O-])cccc1Cl ZINC000757942885 639897968 /nfs/dbraw/zinc/89/79/68/639897968.db2.gz LOHDEPGFUZPMCE-UHFFFAOYSA-N 1 1 300.830 2.494 20 10 DECDMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)c1 ZINC000897557793 640798216 /nfs/dbraw/zinc/79/82/16/640798216.db2.gz ATZVOVOQFPJKJP-KRWDZBQOSA-N 1 1 317.389 2.098 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccnn3C)C2)c1 ZINC000897557793 640798219 /nfs/dbraw/zinc/79/82/19/640798219.db2.gz ATZVOVOQFPJKJP-KRWDZBQOSA-N 1 1 317.389 2.098 20 10 DECDMO CC[N@@H+](CCC(=O)NC)Cc1c(O)cccc1Br ZINC000897710116 640907785 /nfs/dbraw/zinc/90/77/85/640907785.db2.gz YNGVTLAOFYXWQZ-UHFFFAOYSA-N 1 1 315.211 2.113 20 10 DECDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)[C@@H]2C1 ZINC000897826211 640945990 /nfs/dbraw/zinc/94/59/90/640945990.db2.gz VONHAOMUETVSRF-GXSJLCMTSA-N 1 1 318.398 2.089 20 10 DECDMO [NH3+]C/C=C\CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000841996085 650622112 /nfs/dbraw/zinc/62/21/12/650622112.db2.gz MDNDDUNEPWITPP-UPHRSURJSA-N 1 1 304.177 2.013 20 10 DECDMO COc1cccc(O)c1C[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000768251859 641062676 /nfs/dbraw/zinc/06/26/76/641062676.db2.gz ARROLSNXYYZODZ-UHFFFAOYSA-N 1 1 320.433 2.481 20 10 DECDMO CC[N@@H+](Cc1ccccn1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464202 641084425 /nfs/dbraw/zinc/08/44/25/641084425.db2.gz OLWIOAHHXWQVNC-INIZCTEOSA-N 1 1 300.358 2.235 20 10 DECDMO COc1cccc(C[N@H+](C)CC(=O)NCc2ccccc2)c1O ZINC000769465694 641244890 /nfs/dbraw/zinc/24/48/90/641244890.db2.gz BQSSWFLMKOICOF-UHFFFAOYSA-N 1 1 314.385 2.149 20 10 DECDMO COc1cccc(C[N@@H+](C)CC(=O)NCc2ccccc2)c1O ZINC000769465694 641244900 /nfs/dbraw/zinc/24/49/00/641244900.db2.gz BQSSWFLMKOICOF-UHFFFAOYSA-N 1 1 314.385 2.149 20 10 DECDMO COc1cccc(O)c1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000769499395 641251904 /nfs/dbraw/zinc/25/19/04/641251904.db2.gz TVSHWSZDXYTLPS-UHFFFAOYSA-N 1 1 317.364 2.257 20 10 DECDMO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nncn2C)c(O)c1 ZINC000769524530 641256309 /nfs/dbraw/zinc/25/63/09/641256309.db2.gz NTLKSOICYAMOAE-AWEZNQCLSA-N 1 1 302.378 2.257 20 10 DECDMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2nncn2C)c(O)c1 ZINC000769524530 641256315 /nfs/dbraw/zinc/25/63/15/641256315.db2.gz NTLKSOICYAMOAE-AWEZNQCLSA-N 1 1 302.378 2.257 20 10 DECDMO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775014881 641994234 /nfs/dbraw/zinc/99/42/34/641994234.db2.gz VKFLIMUGIAVDFV-LLVKDONJSA-N 1 1 311.382 2.129 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@H]2CCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000775047926 641999297 /nfs/dbraw/zinc/99/92/97/641999297.db2.gz OZDKCKPTMRKDCR-ZWNOBZJWSA-N 1 1 310.350 2.214 20 10 DECDMO COc1c(O)c(C[N@H+](C)CCc2ccccn2)ccc1[N+](=O)[O-] ZINC000775061539 642002222 /nfs/dbraw/zinc/00/22/22/642002222.db2.gz WTYVATCUHUUGGN-UHFFFAOYSA-N 1 1 317.345 2.379 20 10 DECDMO COc1c(O)c(C[N@@H+](C)CCc2ccccn2)ccc1[N+](=O)[O-] ZINC000775061539 642002226 /nfs/dbraw/zinc/00/22/26/642002226.db2.gz WTYVATCUHUUGGN-UHFFFAOYSA-N 1 1 317.345 2.379 20 10 DECDMO CC[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C)O1 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ZINC000273533145 130133699 /nfs/dbraw/zinc/13/36/99/130133699.db2.gz WTIWINHFDXGHES-JQWIXIFHSA-N 1 1 317.389 2.492 20 10 DECDMO CCOC(=O)[C@@](C)(O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000274680468 130253345 /nfs/dbraw/zinc/25/33/45/130253345.db2.gz WUEATIFXZIDZLB-SFHVURJKSA-N 1 1 320.433 2.031 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(N(C)C)CCC2)c1 ZINC000275802491 130388615 /nfs/dbraw/zinc/38/86/15/130388615.db2.gz YOGBSNWHDGBZLP-GFCCVEGCSA-N 1 1 306.406 2.314 20 10 DECDMO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(F)cc1O ZINC000287276785 131273035 /nfs/dbraw/zinc/27/30/35/131273035.db2.gz CSIFKPQLEUKFJQ-GFCCVEGCSA-N 1 1 301.383 2.149 20 10 DECDMO Oc1cc2c(cc1C[NH2+]Cc1nccc(C(F)F)n1)OCO2 ZINC000288428739 131325332 /nfs/dbraw/zinc/32/53/32/131325332.db2.gz KOPOCEBIMVWBSK-UHFFFAOYSA-N 1 1 309.272 2.138 20 10 DECDMO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000273439621 292014097 /nfs/dbraw/zinc/01/40/97/292014097.db2.gz YBCPTAHUCDUOLY-CHWSQXEVSA-N 1 1 318.417 2.314 20 10 DECDMO CC(C)C[N@@H+](CC(N)=O)Cc1cc(Br)ccc1O ZINC000132901050 401876057 /nfs/dbraw/zinc/87/60/57/401876057.db2.gz BQTYZUAZIXSQOE-UHFFFAOYSA-N 1 1 315.211 2.098 20 10 DECDMO COc1cccc(C[NH+]2CCN(CC(F)(F)F)CC2)c1O ZINC000134088887 401898607 /nfs/dbraw/zinc/89/86/07/401898607.db2.gz HVBXIAMSIZQHET-UHFFFAOYSA-N 1 1 304.312 2.081 20 10 DECDMO O=C1OCC[C@@H]1CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000120529849 401993069 /nfs/dbraw/zinc/99/30/69/401993069.db2.gz AQBXFLOIKJPVES-HOCLYGCPSA-N 1 1 319.401 2.326 20 10 DECDMO CN(C)c1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC2)cc1F ZINC000185291772 402341547 /nfs/dbraw/zinc/34/15/47/402341547.db2.gz FAXJADXQPGQYJE-UHFFFAOYSA-N 1 1 322.428 2.127 20 10 DECDMO Cc1cc(Br)cc(C[N@@H+](C)CCN(C)C)c1O ZINC000160967923 402367720 /nfs/dbraw/zinc/36/77/20/402367720.db2.gz CJTILCAIEDUSFU-UHFFFAOYSA-N 1 1 301.228 2.457 20 10 DECDMO Cc1cc(Br)cc(C[N@H+](C)CCN(C)C)c1O ZINC000160967923 402367723 /nfs/dbraw/zinc/36/77/23/402367723.db2.gz CJTILCAIEDUSFU-UHFFFAOYSA-N 1 1 301.228 2.457 20 10 DECDMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000186595315 402446409 /nfs/dbraw/zinc/44/64/09/402446409.db2.gz NJWBEFASLZBGNG-SJORKVTESA-N 1 1 318.509 2.429 20 10 DECDMO C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000248357053 402587498 /nfs/dbraw/zinc/58/74/98/402587498.db2.gz PAVCMGJZHXCCBV-GJZGRUSLSA-N 1 1 303.450 2.441 20 10 DECDMO CCOc1cccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000179488206 402591937 /nfs/dbraw/zinc/59/19/37/402591937.db2.gz XEBCDRXUXJUVSV-AWEZNQCLSA-N 1 1 304.390 2.034 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1 ZINC000179702424 402598336 /nfs/dbraw/zinc/59/83/36/402598336.db2.gz ZUQMULRRVLLKCA-CQSZACIVSA-N 1 1 318.417 2.139 20 10 DECDMO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)CCS1 ZINC000192183892 402716583 /nfs/dbraw/zinc/71/65/83/402716583.db2.gz ASJPNEYODZASCR-CQSZACIVSA-N 1 1 321.490 2.196 20 10 DECDMO C[C@@H]([NH2+]CC1(CO)COC1)c1cc(Cl)c(Cl)cc1O ZINC000193037008 402761426 /nfs/dbraw/zinc/76/14/26/402761426.db2.gz TVFIZGGOXCUDRM-MRVPVSSYSA-N 1 1 306.189 2.359 20 10 DECDMO C[C@@H](NC(=O)c1cccc(O)c1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000193158269 402767158 /nfs/dbraw/zinc/76/71/58/402767158.db2.gz UCIAJSUSIFLMDU-OLZOCXBDSA-N 1 1 318.417 2.481 20 10 DECDMO CCC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278334900 402863304 /nfs/dbraw/zinc/86/33/04/402863304.db2.gz ZTIOBJOUEUDKFT-UHFFFAOYSA-N 1 1 324.377 2.294 20 10 DECDMO COc1c(O)c(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000278531844 402867388 /nfs/dbraw/zinc/86/73/88/402867388.db2.gz VGCDIVABKCYCAN-HZPDHXFCSA-N 1 1 322.361 2.356 20 10 DECDMO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cc(OC)c(OC)cc1O ZINC000281133581 403059051 /nfs/dbraw/zinc/05/90/51/403059051.db2.gz DEPPNPSPPNDEIU-LLVKDONJSA-N 1 1 311.378 2.183 20 10 DECDMO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cc(OC)c(OC)cc1O ZINC000281133581 403059054 /nfs/dbraw/zinc/05/90/54/403059054.db2.gz DEPPNPSPPNDEIU-LLVKDONJSA-N 1 1 311.378 2.183 20 10 DECDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000281278480 403062029 /nfs/dbraw/zinc/06/20/29/403062029.db2.gz OEWKULWNJRCMHE-GOSISDBHSA-N 1 1 321.417 2.492 20 10 DECDMO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1nncn1C ZINC000268945960 403121479 /nfs/dbraw/zinc/12/14/79/403121479.db2.gz WQUSYNUQDUIWDH-ZIAGYGMSSA-N 1 1 315.421 2.064 20 10 DECDMO COc1c(O)c(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000282135786 403125480 /nfs/dbraw/zinc/12/54/80/403125480.db2.gz BPOVJAIKPNFVKB-CMPLNLGQSA-N 1 1 310.350 2.308 20 10 DECDMO COc1c(O)c(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000282135786 403125481 /nfs/dbraw/zinc/12/54/81/403125481.db2.gz BPOVJAIKPNFVKB-CMPLNLGQSA-N 1 1 310.350 2.308 20 10 DECDMO CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000282686977 403158503 /nfs/dbraw/zinc/15/85/03/403158503.db2.gz IRTPRRSIKTXDHZ-KRWDZBQOSA-N 1 1 322.474 2.296 20 10 DECDMO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000282686977 403158505 /nfs/dbraw/zinc/15/85/05/403158505.db2.gz IRTPRRSIKTXDHZ-KRWDZBQOSA-N 1 1 322.474 2.296 20 10 DECDMO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)c(O)c1 ZINC000293635025 403524708 /nfs/dbraw/zinc/52/47/08/403524708.db2.gz HTIOVIKEDSEXCT-JKSUJKDBSA-N 1 1 305.466 2.296 20 10 DECDMO COc1cc(O)c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000293692126 403538969 /nfs/dbraw/zinc/53/89/69/403538969.db2.gz QSYJMSARUTULBM-SFHVURJKSA-N 1 1 320.433 2.327 20 10 DECDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)C1CCOCC1 ZINC000293538318 403498617 /nfs/dbraw/zinc/49/86/17/403498617.db2.gz FRINAHTYDKWMHU-AWEZNQCLSA-N 1 1 303.761 2.062 20 10 DECDMO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000294534754 403721899 /nfs/dbraw/zinc/72/18/99/403721899.db2.gz DIJBIGNZMVEPBD-LLVKDONJSA-N 1 1 316.804 2.337 20 10 DECDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000294534754 403721904 /nfs/dbraw/zinc/72/19/04/403721904.db2.gz DIJBIGNZMVEPBD-LLVKDONJSA-N 1 1 316.804 2.337 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1 ZINC000294828459 403735435 /nfs/dbraw/zinc/73/54/35/403735435.db2.gz PTSFNBUCQRGGNF-HNNXBMFYSA-N 1 1 322.405 2.454 20 10 DECDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295069319 403749336 /nfs/dbraw/zinc/74/93/36/403749336.db2.gz HGMIATGCUPICQY-SNVBAGLBSA-N 1 1 316.760 2.457 20 10 DECDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3cc(Cl)ccc3O)CC2)C1 ZINC000367472809 405061119 /nfs/dbraw/zinc/06/11/19/405061119.db2.gz WFMLLHNNGLXXIO-MRXNPFEDSA-N 1 1 323.868 2.257 20 10 DECDMO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1O ZINC000377703627 227197597 /nfs/dbraw/zinc/19/75/97/227197597.db2.gz VMILAOKKZPWADE-CABCVRRESA-N 1 1 307.390 2.171 20 10 DECDMO CCOc1cccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1O ZINC000377703627 227197602 /nfs/dbraw/zinc/19/76/02/227197602.db2.gz VMILAOKKZPWADE-CABCVRRESA-N 1 1 307.390 2.171 20 10 DECDMO CN(C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000662530472 425676524 /nfs/dbraw/zinc/67/65/24/425676524.db2.gz ATKKSQNZOSHIIM-VIFPVBQESA-N 1 1 306.316 2.041 20 10 DECDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000271071709 276073564 /nfs/dbraw/zinc/07/35/64/276073564.db2.gz VXTYNEGBXZTUHM-LBPRGKRZSA-N 1 1 323.393 2.390 20 10 DECDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835025545 649867904 /nfs/dbraw/zinc/86/79/04/649867904.db2.gz KSAPAYJDACSERS-PJFORWJISA-N 1 1 301.434 2.352 20 10 DECDMO COC(=O)C[C@H]1COCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000377174399 533735032 /nfs/dbraw/zinc/73/50/32/533735032.db2.gz FRXJGHIDIAXBLE-AWEZNQCLSA-N 1 1 315.369 2.309 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CCN2CCCC2=O)cc1 ZINC000835027522 649868657 /nfs/dbraw/zinc/86/86/57/649868657.db2.gz FVKFXFAAAUCIJE-GQCTYLIASA-N 1 1 301.434 2.320 20 10 DECDMO CC(C)[N@@H+](C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000265466778 519605883 /nfs/dbraw/zinc/60/58/83/519605883.db2.gz ZSZYJZXTISFSOM-INIZCTEOSA-N 1 1 320.433 2.240 20 10 DECDMO CC(C)[N@@H+](C)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 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DECDMO COCCCC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327486862 1148566278 /nfs/dbraw/zinc/56/62/78/1148566278.db2.gz OXOARMPGWVVCNW-UHFFFAOYSA-N 1 1 323.456 2.436 20 10 DECDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@](C)(O)C2)c1O ZINC000180633951 526157769 /nfs/dbraw/zinc/15/77/69/526157769.db2.gz UONZPZKGSWHVED-CYBMUJFWSA-N 1 1 300.196 2.420 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000835051155 649871878 /nfs/dbraw/zinc/87/18/78/649871878.db2.gz WUXGBONFXLTATQ-DRKKUUBTSA-N 1 1 313.445 2.352 20 10 DECDMO COC[C@@]1(CO)CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835055514 649872675 /nfs/dbraw/zinc/87/26/75/649872675.db2.gz VKIVVQQVWZEFRT-WRFKIARRSA-N 1 1 304.434 2.097 20 10 DECDMO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000236681709 625323308 /nfs/dbraw/zinc/32/33/08/625323308.db2.gz KMGBZWVOBOPIKZ-MOPGFXCFSA-N 1 1 315.461 2.240 20 10 DECDMO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000236681709 625323310 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C[N@@H+](CCCCNC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 ZINC000837224181 650176495 /nfs/dbraw/zinc/17/64/95/650176495.db2.gz BEZHVZQWXXEMGL-UITAMQMPSA-N 1 1 304.390 2.102 20 10 DECDMO Oc1cccc2c1[C@H]([NH2+][C@@H]1CNCC3(CCOCC3)C1)CC2 ZINC000925796127 635365627 /nfs/dbraw/zinc/36/56/27/635365627.db2.gz KSPOMKKTLAEJSC-LSDHHAIUSA-N 1 1 302.418 2.128 20 10 DECDMO Oc1cccc2c1[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)CC2 ZINC000925842687 635923012 /nfs/dbraw/zinc/92/30/12/635923012.db2.gz BMSAIQJYSOLOBM-INIZCTEOSA-N 1 1 303.450 2.045 20 10 DECDMO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc(OC)c(OC)c1O ZINC000894227895 636502228 /nfs/dbraw/zinc/50/22/28/636502228.db2.gz WXMKSKWESOIIRH-NSHDSACASA-N 1 1 311.378 2.183 20 10 DECDMO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc(OC)c(OC)c1O ZINC000894227895 636502231 /nfs/dbraw/zinc/50/22/31/636502231.db2.gz WXMKSKWESOIIRH-NSHDSACASA-N 1 1 311.378 2.183 20 10 DECDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3COC[C@@H]3C)cc2F)CC1 ZINC000924995714 636782672 /nfs/dbraw/zinc/78/26/72/636782672.db2.gz 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Cc1[nH+]ccn1CCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759587703 640089497 /nfs/dbraw/zinc/08/94/97/640089497.db2.gz CTCNFPAXIBBJNZ-GQCTYLIASA-N 1 1 302.330 2.249 20 10 DECDMO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000842002872 640092889 /nfs/dbraw/zinc/09/28/89/640092889.db2.gz GZTZPTVOIJJSLQ-RQJHMYQMSA-N 1 1 306.193 2.234 20 10 DECDMO CCCN(CCC)c1ccc(CNC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000762555286 640438065 /nfs/dbraw/zinc/43/80/65/640438065.db2.gz DHIJMKGTNWVUBZ-LJQANCHMSA-N 1 1 319.493 2.469 20 10 DECDMO CCCN(CCC)c1ccc(CNC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762555286 640438069 /nfs/dbraw/zinc/43/80/69/640438069.db2.gz DHIJMKGTNWVUBZ-LJQANCHMSA-N 1 1 319.493 2.469 20 10 DECDMO COc1cccc(C[N@@H+](C)CCCNC(=O)C2CCC2)c1O ZINC000763621327 640556377 /nfs/dbraw/zinc/55/63/77/640556377.db2.gz CHNRDOPLDZOWPF-UHFFFAOYSA-N 1 1 306.406 2.139 20 10 DECDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCC[NH2+]C1 ZINC000841941982 650607304 /nfs/dbraw/zinc/60/73/04/650607304.db2.gz VAEYNSJRNLTIIW-JTQLQIEISA-N 1 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ZINC000771842723 641558677 /nfs/dbraw/zinc/55/86/77/641558677.db2.gz KVZBNDZUYTVCFG-SFHVURJKSA-N 1 1 303.450 2.097 20 10 DECDMO COc1c(O)c(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000898419942 641654109 /nfs/dbraw/zinc/65/41/09/641654109.db2.gz KDVCAOJVKCQMIZ-ABAIWWIYSA-N 1 1 324.402 2.494 20 10 DECDMO COc1c(O)c(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000898419942 641654110 /nfs/dbraw/zinc/65/41/10/641654110.db2.gz KDVCAOJVKCQMIZ-ABAIWWIYSA-N 1 1 324.402 2.494 20 10 DECDMO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773372413 641765932 /nfs/dbraw/zinc/76/59/32/641765932.db2.gz SPLYEYXNINERCT-UKRRQHHQSA-N 1 1 316.449 2.350 20 10 DECDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000773846924 641831312 /nfs/dbraw/zinc/83/13/12/641831312.db2.gz OALCIDXVVSEDLO-INIZCTEOSA-N 1 1 310.463 2.152 20 10 DECDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000773846924 641831316 /nfs/dbraw/zinc/83/13/16/641831316.db2.gz OALCIDXVVSEDLO-INIZCTEOSA-N 1 1 310.463 2.152 20 10 DECDMO CCN(C)c1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(C)C)cc1 ZINC000773888670 641836432 /nfs/dbraw/zinc/83/64/32/641836432.db2.gz LLYMANLZDYYCHT-QGZVFWFLSA-N 1 1 303.450 2.489 20 10 DECDMO CCN(C)c1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(C)C)cc1 ZINC000773888670 641836434 /nfs/dbraw/zinc/83/64/34/641836434.db2.gz LLYMANLZDYYCHT-QGZVFWFLSA-N 1 1 303.450 2.489 20 10 DECDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@@H]1C ZINC000774904715 641978972 /nfs/dbraw/zinc/97/89/72/641978972.db2.gz JXDCNNSVCFCSSC-NWDGAFQWSA-N 1 1 323.393 2.224 20 10 DECDMO COc1c(O)c(C[NH2+]Cc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000774989234 641991239 /nfs/dbraw/zinc/99/12/39/641991239.db2.gz MAZJTKCKRAYHGX-UHFFFAOYSA-N 1 1 304.302 2.304 20 10 DECDMO Cc1nonc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775256559 642022011 /nfs/dbraw/zinc/02/20/11/642022011.db2.gz ZTIMYWIJQWTEKM-GFCCVEGCSA-N 1 1 302.378 2.065 20 10 DECDMO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)CO1 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C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000780893576 642685832 /nfs/dbraw/zinc/68/58/32/642685832.db2.gz YFPLSZPSLUBTLL-FUHWJXTLSA-N 1 1 317.477 2.031 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](OC(F)F)C1)OCO2 ZINC000781150080 642719536 /nfs/dbraw/zinc/71/95/36/642719536.db2.gz BKCHYUHGIYWZTJ-SNVBAGLBSA-N 1 1 301.289 2.325 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000903263629 643304277 /nfs/dbraw/zinc/30/42/77/643304277.db2.gz BGFOVCVYCXHWLU-HQQWDMGQSA-N 1 1 305.374 2.397 20 10 DECDMO C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(F)cc(F)c1O ZINC000903419726 643351183 /nfs/dbraw/zinc/35/11/83/643351183.db2.gz FYCMRLUCXFRBHC-SECBINFHSA-N 1 1 309.316 2.248 20 10 DECDMO COc1cc(O)c(CN2CCCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000903959723 643519891 /nfs/dbraw/zinc/51/98/91/643519891.db2.gz MZSJUTKXTSLEGO-GOSISDBHSA-N 1 1 320.433 2.375 20 10 DECDMO C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)[N@H+]1CCC[C@H](C)C1 ZINC000790069195 643812670 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COc1c(O)c(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)ccc1[N+](=O)[O-] ZINC000827252015 649001491 /nfs/dbraw/zinc/00/14/91/649001491.db2.gz UANORSVGWLMOBA-PWSUYJOCSA-N 1 1 310.350 2.356 20 10 DECDMO COc1ccc(N2CCC[N@@H+](Cc3cccnc3N)CC2)cc1 ZINC000827468209 649039601 /nfs/dbraw/zinc/03/96/01/649039601.db2.gz OBKPYZMATLBTLC-UHFFFAOYSA-N 1 1 312.417 2.385 20 10 DECDMO COC1CCN(c2ccc(C[N@H+]3C[C@@H](O)C[C@@H]3C)cc2)CC1 ZINC000828538097 649192306 /nfs/dbraw/zinc/19/23/06/649192306.db2.gz GINPYJPCSIYMKY-YOEHRIQHSA-N 1 1 304.434 2.257 20 10 DECDMO COC(=O)/C(C)=C/C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844401366 651123425 /nfs/dbraw/zinc/12/34/25/651123425.db2.gz MQESZRJEPCCLNK-GXDHUFHOSA-N 1 1 306.406 2.183 20 10 DECDMO COc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c(O)c(C(C)(C)C)c1 ZINC000844741949 651163122 /nfs/dbraw/zinc/16/31/22/651163122.db2.gz QMDKUVJZPAMOHQ-RGDDPNHNSA-N 1 1 323.458 2.404 20 10 DECDMO CCO[C@@H]1CN(Cc2ccc(N(CC)CC)cc2)C[C@H]1C[NH3+] ZINC000844904567 651181262 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CCc1cccc(C[N@H+]2CCSC[C@H](C(=O)OC)C2)c1O ZINC000848917727 651561451 /nfs/dbraw/zinc/56/14/51/651561451.db2.gz KDEANHYZWNLUCO-CQSZACIVSA-N 1 1 309.431 2.293 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000848929472 651565914 /nfs/dbraw/zinc/56/59/14/651565914.db2.gz FJFSDKWZBAIYKJ-LJQANCHMSA-N 1 1 317.477 2.439 20 10 DECDMO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nc(C(N)=O)cs2)c(O)c1 ZINC000850540286 651948811 /nfs/dbraw/zinc/94/88/11/651948811.db2.gz KTJWECICMHGKRL-SNVBAGLBSA-N 1 1 305.403 2.415 20 10 DECDMO CCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)C1 ZINC000850553668 651951893 /nfs/dbraw/zinc/95/18/93/651951893.db2.gz AIPDFKMLTWTXND-GXTWGEPZSA-N 1 1 306.406 2.314 20 10 DECDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cc(OC)ccc1O ZINC000114598336 651975673 /nfs/dbraw/zinc/97/56/73/651975673.db2.gz WWPBEWDBIQPSCN-AWEZNQCLSA-N 1 1 321.421 2.074 20 10 DECDMO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858116808 652258278 /nfs/dbraw/zinc/25/82/78/652258278.db2.gz 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C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000130975857 684194771 /nfs/dbraw/zinc/19/47/71/684194771.db2.gz AAQNXZLLFORWPR-HUTHGQBESA-N 1 1 320.252 2.354 20 10 DECDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cccc(Br)c1O ZINC000130975857 684194773 /nfs/dbraw/zinc/19/47/73/684194773.db2.gz AAQNXZLLFORWPR-HUTHGQBESA-N 1 1 320.252 2.354 20 10 DECDMO CCOc1ccc(O)c(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000245565685 685114615 /nfs/dbraw/zinc/11/46/15/685114615.db2.gz SADPLOWQFZJBRL-LSDHHAIUSA-N 1 1 304.390 2.034 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000245565685 685114618 /nfs/dbraw/zinc/11/46/18/685114618.db2.gz SADPLOWQFZJBRL-LSDHHAIUSA-N 1 1 304.390 2.034 20 10 DECDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1O ZINC000859922046 685853841 /nfs/dbraw/zinc/85/38/41/685853841.db2.gz QKMGSIKUECUEKP-SUMWQHHRSA-N 1 1 307.365 2.328 20 10 DECDMO CN(C)c1cc(F)c(C[N@@H+](C)C2(CO)CCOCC2)cc1F ZINC000862419032 686298028 /nfs/dbraw/zinc/29/80/28/686298028.db2.gz 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DECDMO CCCN1CCCC[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC001326587128 1148153931 /nfs/dbraw/zinc/15/39/31/1148153931.db2.gz JKVBZZFFRVWHGD-ZDUSSCGKSA-N 1 1 321.373 2.088 20 10 DECDMO COc1cccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1O ZINC000092706404 185334608 /nfs/dbraw/zinc/33/46/08/185334608.db2.gz JVNNZSOVOLTZRD-CQSZACIVSA-N 1 1 320.433 2.385 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000092218393 193174343 /nfs/dbraw/zinc/17/43/43/193174343.db2.gz VZJCSYNTJYWLOY-MRXNPFEDSA-N 1 1 320.433 2.088 20 10 DECDMO CCOc1cccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000093611798 193273536 /nfs/dbraw/zinc/27/35/36/193273536.db2.gz UFBHFPYUSUOXJF-CYBMUJFWSA-N 1 1 305.296 2.290 20 10 DECDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000471737290 248708938 /nfs/dbraw/zinc/70/89/38/248708938.db2.gz PATBLNPASSIVRA-AWEZNQCLSA-N 1 1 314.433 2.380 20 10 DECDMO C[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[N@@H+](C)C1CC1 ZINC000105269164 194090647 /nfs/dbraw/zinc/09/06/47/194090647.db2.gz 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COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000273439625 292013912 /nfs/dbraw/zinc/01/39/12/292013912.db2.gz YBCPTAHUCDUOLY-OLZOCXBDSA-N 1 1 318.417 2.314 20 10 DECDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000273439629 292014366 /nfs/dbraw/zinc/01/43/66/292014366.db2.gz YBCPTAHUCDUOLY-QWHCGFSZSA-N 1 1 318.417 2.314 20 10 DECDMO CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c([O-])cccc1Cl ZINC000150994716 402009376 /nfs/dbraw/zinc/00/93/76/402009376.db2.gz PHPAIWWNPUMFLF-LBPRGKRZSA-N 1 1 300.830 2.492 20 10 DECDMO COc1cccc(C[NH+]2CCN(Cc3cc(C)no3)CC2)c1O ZINC000122385499 402076322 /nfs/dbraw/zinc/07/63/22/402076322.db2.gz FKQTVDMOQXWBBN-UHFFFAOYSA-N 1 1 317.389 2.015 20 10 DECDMO Oc1ccccc1C[N@@H+](CCn1ccnc1)C[C@@H]1CCCO1 ZINC000123510204 402131810 /nfs/dbraw/zinc/13/18/10/402131810.db2.gz DWNUEXNLURBWFZ-INIZCTEOSA-N 1 1 301.390 2.270 20 10 DECDMO C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000123966660 402157143 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COc1c(O)c(C[NH2+]C[C@@H]2CC3(CCC3)CO2)ccc1[N+](=O)[O-] ZINC000895790327 638197448 /nfs/dbraw/zinc/19/74/48/638197448.db2.gz IWUWMBAAHHKNOY-LBPRGKRZSA-N 1 1 322.361 2.358 20 10 DECDMO CCCC[C@@H](CN)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841029872 650408697 /nfs/dbraw/zinc/40/86/97/650408697.db2.gz SZNHOOPZWKBKBK-HNNXBMFYSA-N 1 1 309.429 2.269 20 10 DECDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc3c(c2)ncn3C)cc1 ZINC000841045641 650413773 /nfs/dbraw/zinc/41/37/73/650413773.db2.gz NNHGOWQAWIHWPR-KRWDZBQOSA-N 1 1 323.444 2.429 20 10 DECDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000748346819 638544188 /nfs/dbraw/zinc/54/41/88/638544188.db2.gz ROQOKSNPNPUIRE-CQSZACIVSA-N 1 1 312.417 2.265 20 10 DECDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000748346819 638544193 /nfs/dbraw/zinc/54/41/93/638544193.db2.gz ROQOKSNPNPUIRE-CQSZACIVSA-N 1 1 312.417 2.265 20 10 DECDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1ccc(N)cc1 ZINC000841298427 650470788 /nfs/dbraw/zinc/47/07/88/650470788.db2.gz PCICJONENKVQOI-UHFFFAOYSA-N 1 1 320.437 2.091 20 10 DECDMO COC(=O)[C@@]1(F)CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000751935205 639137849 /nfs/dbraw/zinc/13/78/49/639137849.db2.gz ABLSWEAXIPPPGD-MRXNPFEDSA-N 1 1 304.321 2.027 20 10 DECDMO Oc1ccccc1C[N@H+](CCN1CCCC1)C[C@@H]1CCCO1 ZINC000756334857 639651044 /nfs/dbraw/zinc/65/10/44/639651044.db2.gz CZIPHYNLIQBXRJ-KRWDZBQOSA-N 1 1 304.434 2.469 20 10 DECDMO Oc1ccccc1C[N@@H+](CCN1CCCC1)C[C@@H]1CCCO1 ZINC000756334857 639651047 /nfs/dbraw/zinc/65/10/47/639651047.db2.gz CZIPHYNLIQBXRJ-KRWDZBQOSA-N 1 1 304.434 2.469 20 10 DECDMO C[C@@H]1C[C@@H]([NH2+]Cc2nnc3n2CCC3)c2c1c(F)ccc2O ZINC000756389329 639657575 /nfs/dbraw/zinc/65/75/75/639657575.db2.gz BVCVGSNDSVZWEY-MWLCHTKSSA-N 1 1 302.353 2.407 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)c1 ZINC000756647668 639681146 /nfs/dbraw/zinc/68/11/46/639681146.db2.gz QYGJIDDTERMWKC-BZPMIXESSA-N 1 1 307.390 2.381 20 10 DECDMO C[NH+](C)[C@H](CNC(=O)NCCc1ccc(N)cc1)c1ccco1 ZINC000841626486 650526106 /nfs/dbraw/zinc/52/61/06/650526106.db2.gz RFNXZHIQEKMCHP-OAHLLOKOSA-N 1 1 316.405 2.006 20 10 DECDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841790262 650564842 /nfs/dbraw/zinc/56/48/42/650564842.db2.gz BHSHPKUZQIMYHJ-INIZCTEOSA-N 1 1 318.465 2.231 20 10 DECDMO CC[NH2+]CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000841917605 650602787 /nfs/dbraw/zinc/60/27/87/650602787.db2.gz PPNGSNYSQZVNLA-UHFFFAOYSA-N 1 1 320.220 2.498 20 10 DECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000925313809 640811901 /nfs/dbraw/zinc/81/19/01/640811901.db2.gz PNVPMXDJSIVUEZ-YOEHRIQHSA-N 1 1 318.465 2.377 20 10 DECDMO COc1ccc(N2CCC[N@@H+](Cc3cnn(C)c3C)CC2)cc1 ZINC000766019192 640840205 /nfs/dbraw/zinc/84/02/05/640840205.db2.gz RZCKTPXAWZKMPQ-UHFFFAOYSA-N 1 1 314.433 2.449 20 10 DECDMO CCN(CC)c1ccc(C[NH+]2CC(N3CCCC3=O)C2)cc1 ZINC000897788697 640933366 /nfs/dbraw/zinc/93/33/66/640933366.db2.gz BHWUQBWODJNMOI-UHFFFAOYSA-N 1 1 301.434 2.339 20 10 DECDMO COc1cccc(C[N@H+]2CCC[C@H](c3nnc(C)o3)C2)c1O ZINC000769239639 641201244 /nfs/dbraw/zinc/20/12/44/641201244.db2.gz QJMHRHWDMOIAOZ-ZDUSSCGKSA-N 1 1 303.362 2.472 20 10 DECDMO COc1cccc(O)c1C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000770380412 641362962 /nfs/dbraw/zinc/36/29/62/641362962.db2.gz HNFSXCUMCRPFFS-DXCKQFNASA-N 1 1 307.390 2.169 20 10 DECDMO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771842099 641558423 /nfs/dbraw/zinc/55/84/23/641558423.db2.gz JDZUTQBZASDXIE-SJORKVTESA-N 1 1 305.491 2.422 20 10 DECDMO CC[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(N(C)C)cc1 ZINC000773030369 641718925 /nfs/dbraw/zinc/71/89/25/641718925.db2.gz PILNDVUCCWNERS-OAHLLOKOSA-N 1 1 300.410 2.315 20 10 DECDMO CCN(C)c1ccc(C[N@H+](CC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000773765160 641822243 /nfs/dbraw/zinc/82/22/43/641822243.db2.gz HISIRLIBSSZLCD-MRXNPFEDSA-N 1 1 310.463 2.152 20 10 DECDMO CCN(C)c1ccc(C[N@@H+](CC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000773765160 641822249 /nfs/dbraw/zinc/82/22/49/641822249.db2.gz HISIRLIBSSZLCD-MRXNPFEDSA-N 1 1 310.463 2.152 20 10 DECDMO COc1c(O)c(C[NH2+]CCOC2CCCC2)ccc1[N+](=O)[O-] ZINC000774981657 641989990 /nfs/dbraw/zinc/98/99/90/641989990.db2.gz IVZUFMUGRPVEAB-UHFFFAOYSA-N 1 1 310.350 2.358 20 10 DECDMO COC(C)(C)C[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775737141 642087492 /nfs/dbraw/zinc/08/74/92/642087492.db2.gz BTAVVGYVIKQBAM-UHFFFAOYSA-N 1 1 305.466 2.295 20 10 DECDMO COC(C)(C)C[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775737141 642087497 /nfs/dbraw/zinc/08/74/97/642087497.db2.gz BTAVVGYVIKQBAM-UHFFFAOYSA-N 1 1 305.466 2.295 20 10 DECDMO COCC1=CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000775995458 642120470 /nfs/dbraw/zinc/12/04/70/642120470.db2.gz PQNNNYRFYPITSH-UHFFFAOYSA-N 1 1 320.408 2.441 20 10 DECDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000776774976 642206801 /nfs/dbraw/zinc/20/68/01/642206801.db2.gz NNSRSRLPIJZWTK-CQSZACIVSA-N 1 1 316.405 2.434 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1 ZINC000779061044 642459040 /nfs/dbraw/zinc/45/90/40/642459040.db2.gz IUMFHNVPHYZJIB-WCQYABFASA-N 1 1 315.373 2.041 20 10 DECDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779514365 642507349 /nfs/dbraw/zinc/50/73/49/642507349.db2.gz LEWNXGMPQFTQDC-ARYDQCSGSA-N 1 1 318.417 2.490 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000781895138 642795930 /nfs/dbraw/zinc/79/59/30/642795930.db2.gz NZKNMRMJGGBIJG-LLVKDONJSA-N 1 1 300.196 2.420 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000781895138 642795934 /nfs/dbraw/zinc/79/59/34/642795934.db2.gz NZKNMRMJGGBIJG-LLVKDONJSA-N 1 1 300.196 2.420 20 10 DECDMO COc1cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c(O)cc1C ZINC000842620301 650783706 /nfs/dbraw/zinc/78/37/06/650783706.db2.gz NFFXBMJNRJTFCS-INIZCTEOSA-N 1 1 309.431 2.417 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCOC[C@H]2C[C@@H]2CCOC2)c1O ZINC000902609106 643083219 /nfs/dbraw/zinc/08/32/19/643083219.db2.gz NVQDTDKQTKXTRQ-GOEBONIOSA-N 1 1 321.417 2.337 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000903263631 643304543 /nfs/dbraw/zinc/30/45/43/643304543.db2.gz BGFOVCVYCXHWLU-JJMVLAAESA-N 1 1 305.374 2.397 20 10 DECDMO C[C@@H]([NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ncc[nH]1 ZINC000903448191 643354798 /nfs/dbraw/zinc/35/47/98/643354798.db2.gz LWAOQEKCENEUQK-CZUORRHYSA-N 1 1 301.438 2.429 20 10 DECDMO C[C@H]([NH2+][C@H]1CCCNC1=O)c1cccc(C(F)(F)F)c1O ZINC000788586162 643626657 /nfs/dbraw/zinc/62/66/57/643626657.db2.gz YSIMHYIKHUGUFV-KWQFWETISA-N 1 1 302.296 2.340 20 10 DECDMO COCC[C@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788817531 643648820 /nfs/dbraw/zinc/64/88/20/643648820.db2.gz ZCTAPOAKSDLJJM-NXEZZACHSA-N 1 1 307.312 2.459 20 10 DECDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789565033 643749668 /nfs/dbraw/zinc/74/96/68/643749668.db2.gz GGIGENJGUHHXLW-SFHVURJKSA-N 1 1 322.424 2.399 20 10 DECDMO CC[C@@]1([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCOC1 ZINC000791003004 643918368 /nfs/dbraw/zinc/91/83/68/643918368.db2.gz CXOQOUIJVCNMLI-GOSISDBHSA-N 1 1 303.450 2.097 20 10 DECDMO CCO[C@@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@@H]1OC ZINC000792175257 644084220 /nfs/dbraw/zinc/08/42/20/644084220.db2.gz PSHWTGPKWPXXLZ-SUHUHFCYSA-N 1 1 303.761 2.467 20 10 DECDMO COc1cc(N2CC[NH+](CC3(F)CC3)CC2)cc(OC)c1OC ZINC000793074539 644188707 /nfs/dbraw/zinc/18/87/07/644188707.db2.gz IHWZOIOAEGQKMT-UHFFFAOYSA-N 1 1 324.396 2.337 20 10 DECDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000797414364 644877384 /nfs/dbraw/zinc/87/73/84/644877384.db2.gz YFTNNCBAMOUSIU-GOSISDBHSA-N 1 1 302.418 2.229 20 10 DECDMO Oc1ccc(-c2ccccc2)cc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843422764 650971734 /nfs/dbraw/zinc/97/17/34/650971734.db2.gz XHQZCCHMUBFMHB-LJQANCHMSA-N 1 1 324.424 2.310 20 10 DECDMO Oc1ccc(-c2ccccc2)cc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843422764 650971735 /nfs/dbraw/zinc/97/17/35/650971735.db2.gz XHQZCCHMUBFMHB-LJQANCHMSA-N 1 1 324.424 2.310 20 10 DECDMO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc(N2CCOCC2)cc1 ZINC000798955425 645102709 /nfs/dbraw/zinc/10/27/09/645102709.db2.gz PVUBTHSKEVYVJN-HNNXBMFYSA-N 1 1 320.433 2.297 20 10 DECDMO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc(N2CCOCC2)cc1 ZINC000798955425 645102711 /nfs/dbraw/zinc/10/27/11/645102711.db2.gz PVUBTHSKEVYVJN-HNNXBMFYSA-N 1 1 320.433 2.297 20 10 DECDMO CC[N@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 ZINC000910268419 645377672 /nfs/dbraw/zinc/37/76/72/645377672.db2.gz WWCWFIHSQKRKPU-LBPRGKRZSA-N 1 1 317.393 2.405 20 10 DECDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)CN1CCCC1 ZINC000801599252 645421100 /nfs/dbraw/zinc/42/11/00/645421100.db2.gz HHTNAUOXWSHETJ-KRWDZBQOSA-N 1 1 306.450 2.451 20 10 DECDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(=O)NCC ZINC000801595318 645421456 /nfs/dbraw/zinc/42/14/56/645421456.db2.gz LTUGTOONEQILGZ-CYBMUJFWSA-N 1 1 321.421 2.229 20 10 DECDMO CCOc1ccc(C[N@H+]2CCC[C@H](OCCOC)C2)c(O)c1 ZINC000802653029 645539575 /nfs/dbraw/zinc/53/95/75/645539575.db2.gz NKWMCRNUPXUHCV-INIZCTEOSA-N 1 1 309.406 2.418 20 10 DECDMO CCOc1ccc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c(O)c1 ZINC000809700713 646266232 /nfs/dbraw/zinc/26/62/32/646266232.db2.gz MZZIYBHJWDVJQI-GOEBONIOSA-N 1 1 320.433 2.086 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](CCNC(C)=O)C2)c1 ZINC000809778522 646282858 /nfs/dbraw/zinc/28/28/58/646282858.db2.gz RGYYXOVCEJFBPO-CQSZACIVSA-N 1 1 306.406 2.139 20 10 DECDMO CC(C)[N@H+](Cc1cc2c(cc1O)CCC2)C[C@@H]1CCC(=O)N1 ZINC000840186388 646290812 /nfs/dbraw/zinc/29/08/12/646290812.db2.gz NCSNCQFFBYOWBT-INIZCTEOSA-N 1 1 302.418 2.370 20 10 DECDMO C[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccc(F)cc1O ZINC000810242984 646343218 /nfs/dbraw/zinc/34/32/18/646343218.db2.gz JVVIDCXKBJNNBF-LLVKDONJSA-N 1 1 302.349 2.410 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000164480308 646447648 /nfs/dbraw/zinc/44/76/48/646447648.db2.gz JVJBIMPBFKPHFF-GOEBONIOSA-N 1 1 307.390 2.089 20 10 DECDMO COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000811954123 646595840 /nfs/dbraw/zinc/59/58/40/646595840.db2.gz OVDBQFLUKVDVLR-CHWSQXEVSA-N 1 1 323.437 2.490 20 10 DECDMO CO[C@@](C)(C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000812773077 646693133 /nfs/dbraw/zinc/69/31/33/646693133.db2.gz PVCCLWBIFMJBEU-IBGZPJMESA-N 1 1 317.477 2.343 20 10 DECDMO Cc1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c(C)n1-c1ccccn1 ZINC000814143682 646853964 /nfs/dbraw/zinc/85/39/64/646853964.db2.gz AVPHCASZTSPLFZ-RDJZCZTQSA-N 1 1 324.428 2.265 20 10 DECDMO COCC1([NH2+]Cc2c(O)ccc(Cl)c2F)CCOCC1 ZINC000814301977 646870992 /nfs/dbraw/zinc/87/09/92/646870992.db2.gz LAOVVRLHRWFHRW-UHFFFAOYSA-N 1 1 303.761 2.470 20 10 DECDMO Cc1cc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)ccc1N(C)C ZINC000815048125 646959810 /nfs/dbraw/zinc/95/98/10/646959810.db2.gz JLKGLKDADWKTGO-MRXNPFEDSA-N 1 1 316.449 2.051 20 10 DECDMO COC1(CC[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCC1 ZINC000815145996 646979694 /nfs/dbraw/zinc/97/96/94/646979694.db2.gz KEJNOIPZVSZVKC-UHFFFAOYSA-N 1 1 317.477 2.487 20 10 DECDMO COc1c(O)c(C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000817408822 647287503 /nfs/dbraw/zinc/28/75/03/647287503.db2.gz PUHMCBDIZHLHIB-TZTCFGBESA-N 1 1 324.377 2.458 20 10 DECDMO Cc1cc(N(C)C)ccc1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817895469 647375020 /nfs/dbraw/zinc/37/50/20/647375020.db2.gz YCHZAKNLIMDWQG-IPMKNSEASA-N 1 1 317.477 2.308 20 10 DECDMO CC[NH2+]CCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817943729 647389664 /nfs/dbraw/zinc/38/96/64/647389664.db2.gz RMEJYOCEDHWNPU-AWEZNQCLSA-N 1 1 309.429 2.313 20 10 DECDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000821806589 648112460 /nfs/dbraw/zinc/11/24/60/648112460.db2.gz DUOYKMWJUXAKDG-LBPRGKRZSA-N 1 1 317.389 2.165 20 10 DECDMO [NH3+][C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C12CCC2 ZINC000925477546 648204384 /nfs/dbraw/zinc/20/43/84/648204384.db2.gz FIGJBTJIYXFKBD-IAGOWNOFSA-N 1 1 319.424 2.022 20 10 DECDMO C[C@@H]1NCCC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000925479448 648220554 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C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CS1(=O)=O ZINC000827164989 648984681 /nfs/dbraw/zinc/98/46/81/648984681.db2.gz UGWKBBOOFWMNDQ-WPRPVWTQSA-N 1 1 321.801 2.240 20 10 DECDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(C)c(O)c1O ZINC000182857525 648999764 /nfs/dbraw/zinc/99/97/64/648999764.db2.gz DZUFRRFQHYRJFW-UHFFFAOYSA-N 1 1 303.362 2.073 20 10 DECDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827634248 649060067 /nfs/dbraw/zinc/06/00/67/649060067.db2.gz MLXYUYVIORQXLE-GFCCVEGCSA-N 1 1 308.809 2.490 20 10 DECDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@]1(C)CO ZINC000827700636 649071079 /nfs/dbraw/zinc/07/10/79/649071079.db2.gz WAYVNDVNUBHQDN-RDTXWAMCSA-N 1 1 322.424 2.113 20 10 DECDMO O=CN1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000827878063 649098636 /nfs/dbraw/zinc/09/86/36/649098636.db2.gz ZRHKRFJXYVPIED-UHFFFAOYSA-N 1 1 301.434 2.341 20 10 DECDMO Cc1cc(Br)cc(C[N@H+](C)C2(CO)CC2)c1O ZINC000827903190 649102541 /nfs/dbraw/zinc/10/25/41/649102541.db2.gz FDUCPOQWEOJGOY-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/59/68/28/527596828.db2.gz PPUFRNDHCIFKAS-CYBMUJFWSA-N 1 1 306.381 2.270 20 10 DECDMO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCN(C)CC1 ZINC000194261184 528465788 /nfs/dbraw/zinc/46/57/88/528465788.db2.gz RJXIRIPSISKMOA-DOTOQJQBSA-N 1 1 305.466 2.315 20 10 DECDMO CCN(CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)C1CC1 ZINC000273557808 535740253 /nfs/dbraw/zinc/74/02/53/535740253.db2.gz HIAIKXHLCQGWGT-LBPRGKRZSA-N 1 1 306.406 2.314 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000835056487 649873006 /nfs/dbraw/zinc/87/30/06/649873006.db2.gz VHVIBBFOCSAMLF-APHBUQMISA-N 1 1 322.474 2.132 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000835056487 649873007 /nfs/dbraw/zinc/87/30/07/649873007.db2.gz VHVIBBFOCSAMLF-APHBUQMISA-N 1 1 322.474 2.132 20 10 DECDMO CCN1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000892742843 625529790 /nfs/dbraw/zinc/52/97/90/625529790.db2.gz JYBNRSGGBUVDGV-ZDUSSCGKSA-N 1 1 308.422 2.231 20 10 DECDMO C[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000840837647 624159390 /nfs/dbraw/zinc/15/93/90/624159390.db2.gz KIESQUIQWQLRKR-HTQZYQBOSA-N 1 1 303.189 2.486 20 10 DECDMO COc1ccc(CNCCC[NH+]2CCCCC2)c(O)c1OC ZINC000892462809 625727413 /nfs/dbraw/zinc/72/74/13/625727413.db2.gz SXUOEQDHNUCXCE-UHFFFAOYSA-N 1 1 308.422 2.375 20 10 DECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1csc(C[NH3+])n1 ZINC000317209705 635201442 /nfs/dbraw/zinc/20/14/42/635201442.db2.gz VZEVJFKBAGGASK-UHFFFAOYSA-N 1 1 318.446 2.330 20 10 DECDMO Oc1cccc2c1[C@H]([NH2+]CCCCC[NH+]1CCNCC1)CC2 ZINC000925842689 635923148 /nfs/dbraw/zinc/92/31/48/635923148.db2.gz BMSAIQJYSOLOBM-MRXNPFEDSA-N 1 1 303.450 2.045 20 10 DECDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000893717148 635994847 /nfs/dbraw/zinc/99/48/47/635994847.db2.gz NVHBKWKHROOIMY-QGZVFWFLSA-N 1 1 309.406 2.394 20 10 DECDMO COC(=O)c1c(C[N@@H+](C)[C@@H]2CCOC2)c2cc(F)ccc2n1C ZINC000894002938 636088342 /nfs/dbraw/zinc/08/83/42/636088342.db2.gz 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ZINC000894532900 637093584 /nfs/dbraw/zinc/09/35/84/637093584.db2.gz JSVNUKUJBWXPLW-CABCVRRESA-N 1 1 319.401 2.279 20 10 DECDMO COc1cc(C)cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1O ZINC000894532901 637093628 /nfs/dbraw/zinc/09/36/28/637093628.db2.gz JSVNUKUJBWXPLW-GJZGRUSLSA-N 1 1 319.401 2.279 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1O ZINC000894532901 637093630 /nfs/dbraw/zinc/09/36/30/637093630.db2.gz JSVNUKUJBWXPLW-GJZGRUSLSA-N 1 1 319.401 2.279 20 10 DECDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H](C)O2 ZINC000894598108 637126962 /nfs/dbraw/zinc/12/69/62/637126962.db2.gz USTKVLLOULIGFW-GLKRBJQHSA-N 1 1 313.344 2.439 20 10 DECDMO C[C@@H]1CC[C@@H](CN)[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000923425524 637171319 /nfs/dbraw/zinc/17/13/19/637171319.db2.gz ZTLNPZLGLRTBLZ-GJYPPUQNSA-N 1 1 317.477 2.471 20 10 DECDMO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000923425524 637171325 /nfs/dbraw/zinc/17/13/25/637171325.db2.gz ZTLNPZLGLRTBLZ-GJYPPUQNSA-N 1 1 317.477 2.471 20 10 DECDMO C[C@@H]1[C@H](C)NC[C@H](C)[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000923436191 637179137 /nfs/dbraw/zinc/17/91/37/637179137.db2.gz OJOQONUQNOZAGG-HRCADAONSA-N 1 1 303.450 2.094 20 10 DECDMO C[C@@H]1[C@H](C)NC[C@H](C)[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000923436191 637179139 /nfs/dbraw/zinc/17/91/39/637179139.db2.gz OJOQONUQNOZAGG-HRCADAONSA-N 1 1 303.450 2.094 20 10 DECDMO O=C(NCc1c(O)cccc1F)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000923450170 637188487 /nfs/dbraw/zinc/18/84/87/637188487.db2.gz FSPAJQLOKXQFMO-CYBMUJFWSA-N 1 1 321.396 2.347 20 10 DECDMO COc1ccc(N2CC[C@@H]([NH2+]Cc3nnc(C)s3)C2)cc1 ZINC000895311449 637913387 /nfs/dbraw/zinc/91/33/87/637913387.db2.gz ZBHOSRIRPVPGML-GFCCVEGCSA-N 1 1 304.419 2.224 20 10 DECDMO C[NH+](C)CCC[C@H]1CN(Cc2cc(F)cc(F)c2O)CCO1 ZINC000895352975 637960013 /nfs/dbraw/zinc/96/00/13/637960013.db2.gz UQPILSRNGGLMFJ-AWEZNQCLSA-N 1 1 314.376 2.213 20 10 DECDMO OC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CCCOC1 ZINC000840961334 650395749 /nfs/dbraw/zinc/39/57/49/650395749.db2.gz AKMYAQAKQJAVDT-TVQRCGJNSA-N 1 1 303.761 2.062 20 10 DECDMO C[C@H]1CCC[N@H+]1CCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000743812532 638175912 /nfs/dbraw/zinc/17/59/12/638175912.db2.gz AJTFFMXRAWZCCF-AWEZNQCLSA-N 1 1 304.438 2.036 20 10 DECDMO COc1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c(O)c1OC ZINC000896060541 638332122 /nfs/dbraw/zinc/33/21/22/638332122.db2.gz KNXXWVNFPQOYER-GXTWGEPZSA-N 1 1 307.390 2.410 20 10 DECDMO CN(C)c1ccc(CNCC(F)(F)C[NH3+])c(C(F)(F)F)c1 ZINC000841060180 650417589 /nfs/dbraw/zinc/41/75/89/650417589.db2.gz RZVNEPWQOIMFPJ-UHFFFAOYSA-N 1 1 311.298 2.455 20 10 DECDMO [NH3+]C[C@H](NCc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000841086289 650426934 /nfs/dbraw/zinc/42/69/34/650426934.db2.gz HRWKDLKWYIWIND-SFHVURJKSA-N 1 1 303.450 2.130 20 10 DECDMO C[C@@H](CNC(=O)NCc1ccccc1O)[N@H+]1CCCC[C@@H]1C ZINC000748458670 638558070 /nfs/dbraw/zinc/55/80/70/638558070.db2.gz AKPHBPCSVUGKQR-KBPBESRZSA-N 1 1 305.422 2.454 20 10 DECDMO C[C@@H](CNC(=O)NCc1ccccc1O)[N@H+]1CCCC[C@H]1C ZINC000748458671 638558474 /nfs/dbraw/zinc/55/84/74/638558474.db2.gz AKPHBPCSVUGKQR-KGLIPLIRSA-N 1 1 305.422 2.454 20 10 DECDMO COc1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)c(O)c1OC ZINC000896596206 638602254 /nfs/dbraw/zinc/60/22/54/638602254.db2.gz DIXNCVBFAPGOEJ-AWEZNQCLSA-N 1 1 315.373 2.440 20 10 DECDMO CCO[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000897067919 639155449 /nfs/dbraw/zinc/15/54/49/639155449.db2.gz DVAGIAAHKMKGSV-HNNXBMFYSA-N 1 1 308.397 2.273 20 10 DECDMO CCCNC(=O)C[N@@H+](CCC)Cc1cc(C)cc(OC)c1O ZINC000754726905 639465090 /nfs/dbraw/zinc/46/50/90/639465090.db2.gz APWNYNWJPCYRSO-UHFFFAOYSA-N 1 1 308.422 2.447 20 10 DECDMO Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)ncn1 ZINC000756990914 639724982 /nfs/dbraw/zinc/72/49/82/639724982.db2.gz OHMHAUJTBLYMJC-UHFFFAOYSA-N 1 1 316.380 2.051 20 10 DECDMO C[C@@H](CNC(=O)NCCc1ccc(N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000841692257 650541874 /nfs/dbraw/zinc/54/18/74/650541874.db2.gz FTRPTSZGCAXKPV-CABCVRRESA-N 1 1 318.465 2.231 20 10 DECDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897418223 640077561 /nfs/dbraw/zinc/07/75/61/640077561.db2.gz FSWUWIMHEZSEPM-UHFFFAOYSA-N 1 1 320.414 2.479 20 10 DECDMO Cc1[nH+]ccn1CCCCNC(=O)NCCc1ccc(N)cc1 ZINC000841834311 650574924 /nfs/dbraw/zinc/57/49/24/650574924.db2.gz FBSYKEJRWUZKPK-UHFFFAOYSA-N 1 1 315.421 2.096 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@H](CC(C)C)OC)ccc1[N+](=O)[O-] ZINC000841888270 650594505 /nfs/dbraw/zinc/59/45/05/650594505.db2.gz GRLSBBMCMGHKBB-LBPRGKRZSA-N 1 1 312.366 2.460 20 10 DECDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc(Cl)c(F)cc1O ZINC000841891679 650595295 /nfs/dbraw/zinc/59/52/95/650595295.db2.gz OOLYHWZQKAPSRL-GHMZBOCLSA-N 1 1 316.804 2.072 20 10 DECDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1cc(Cl)c(F)cc1O ZINC000841891679 650595297 /nfs/dbraw/zinc/59/52/97/650595297.db2.gz OOLYHWZQKAPSRL-GHMZBOCLSA-N 1 1 316.804 2.072 20 10 DECDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCc2ccc(N)cc2)[C@H](C)C1 ZINC000841960552 650613714 /nfs/dbraw/zinc/61/37/14/650613714.db2.gz SJMVOPYPWPBMTA-RHSMWYFYSA-N 1 1 318.465 2.183 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@H](N)c2ccccc2)ccc1[N+](=O)[O-] ZINC000841038378 641062197 /nfs/dbraw/zinc/06/21/97/641062197.db2.gz WKZXAHNCQACNMO-ZDUSSCGKSA-N 1 1 317.345 2.099 20 10 DECDMO CCN(CC)C(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000768297410 641066589 /nfs/dbraw/zinc/06/65/89/641066589.db2.gz ZALZTZIVDXJOMW-UHFFFAOYSA-N 1 1 318.465 2.332 20 10 DECDMO CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c(O)c1 ZINC000768521120 641091983 /nfs/dbraw/zinc/09/19/83/641091983.db2.gz UQFZMQCJJZMOOT-HNNXBMFYSA-N 1 1 304.390 2.034 20 10 DECDMO CCC[C@](C)(O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771835424 641557639 /nfs/dbraw/zinc/55/76/39/641557639.db2.gz HZHXSSDVUKNJTB-SFHVURJKSA-N 1 1 305.466 2.079 20 10 DECDMO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771842098 641558371 /nfs/dbraw/zinc/55/83/71/641558371.db2.gz JDZUTQBZASDXIE-IRXDYDNUSA-N 1 1 305.491 2.422 20 10 DECDMO CC[C@@](C)(CCO)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771842794 641559775 /nfs/dbraw/zinc/55/97/75/641559775.db2.gz LZUFCBAZBCNDDI-SFHVURJKSA-N 1 1 305.466 2.079 20 10 DECDMO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cnccn1 ZINC000898448921 641661184 /nfs/dbraw/zinc/66/11/84/641661184.db2.gz ZEUHTGIAWWDLNY-RDTXWAMCSA-N 1 1 313.449 2.496 20 10 DECDMO Cc1nocc1CNC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449677 641662070 /nfs/dbraw/zinc/66/20/70/641662070.db2.gz IVRDCQLRXKIQFM-KRWDZBQOSA-N 1 1 302.422 2.442 20 10 DECDMO CC[C@@H]1C(=O)NCCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000898547615 641700659 /nfs/dbraw/zinc/70/06/59/641700659.db2.gz ILJNWXBEQDYVLW-QQOXCAACSA-N 1 1 301.434 2.366 20 10 DECDMO O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000898550003 641701723 /nfs/dbraw/zinc/70/17/23/641701723.db2.gz BVTKGSGWXHOULB-OWCLPIDISA-N 1 1 320.408 2.008 20 10 DECDMO CCN(C)c1ccc(C[N@H+](C)CCCN2CCN(C)CC2)cc1 ZINC000773814836 641826185 /nfs/dbraw/zinc/82/61/85/641826185.db2.gz 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308.397 2.272 20 10 DECDMO CN(C)c1ccc(/C=C/C[NH+]2CCN(c3cnccn3)CC2)cc1 ZINC000835025526 649868032 /nfs/dbraw/zinc/86/80/32/649868032.db2.gz KJZNRJRYWZREHQ-ONEGZZNKSA-N 1 1 323.444 2.378 20 10 DECDMO CCc1nnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)[nH]1 ZINC000160386282 522352638 /nfs/dbraw/zinc/35/26/38/522352638.db2.gz ZWYIIHHBJOXJSQ-CYBMUJFWSA-N 1 1 315.421 2.055 20 10 DECDMO C[N@H+]1CCC[C@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)CC[C@@H]21 ZINC000181215090 523855206 /nfs/dbraw/zinc/85/52/06/523855206.db2.gz HVVGTOQQSWQLLK-CJKAQPIMSA-N 1 1 316.401 2.054 20 10 DECDMO C[N@H+]1CCN(C(=O)Cc2ccc(N)cc2)C2(CCCCC2)C1 ZINC000237193143 523876094 /nfs/dbraw/zinc/87/60/94/523876094.db2.gz ZONZGMJCVOWDMV-UHFFFAOYSA-N 1 1 301.434 2.288 20 10 DECDMO Oc1c(Cl)cccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000180579400 526326031 /nfs/dbraw/zinc/32/60/31/526326031.db2.gz AXFBUIRCSRGLNJ-CYBMUJFWSA-N 1 1 310.825 2.200 20 10 DECDMO Oc1c(F)cccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365939540 526328691 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ARDKQXJEBGJOJH-UHFFFAOYSA-N 1 1 306.450 2.497 20 10 DECDMO CCc1cccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)c1O ZINC000848908726 651555032 /nfs/dbraw/zinc/55/50/32/651555032.db2.gz CELITISLDGERSE-HNNXBMFYSA-N 1 1 311.447 2.354 20 10 DECDMO COCC[N@H+](Cc1cc(C)ccc1O)C[C@@H](O)C(F)(F)F ZINC000848922690 651563143 /nfs/dbraw/zinc/56/31/43/651563143.db2.gz YARHAYXRVDAMHP-CYBMUJFWSA-N 1 1 307.312 2.072 20 10 DECDMO Oc1ccc(-c2ccccc2)cc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848925712 651563420 /nfs/dbraw/zinc/56/34/20/651563420.db2.gz DOKVLTULWAYZCD-RBUKOAKNSA-N 1 1 324.424 2.310 20 10 DECDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCN2C[C@H](O)C[C@H]2C1 ZINC000848925712 651563427 /nfs/dbraw/zinc/56/34/27/651563427.db2.gz DOKVLTULWAYZCD-RBUKOAKNSA-N 1 1 324.424 2.310 20 10 DECDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCN2C[C@H](O)C[C@H]2C1 ZINC000848925712 651563429 /nfs/dbraw/zinc/56/34/29/651563429.db2.gz DOKVLTULWAYZCD-RBUKOAKNSA-N 1 1 324.424 2.310 20 10 DECDMO Cc1cccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1O ZINC000848930727 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O=C1CC[C@H]2C[N@@H+](Cc3c(O)ccc4ccncc43)CC[C@@H]2N1 ZINC000853555169 652567577 /nfs/dbraw/zinc/56/75/77/652567577.db2.gz HCIBYQFCSZVCFF-BBRMVZONSA-N 1 1 311.385 2.041 20 10 DECDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000853594727 652575610 /nfs/dbraw/zinc/57/56/10/652575610.db2.gz SRLGEYIIWSMPJU-AWEZNQCLSA-N 1 1 314.429 2.325 20 10 DECDMO COc1ccc(O)c(CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000853736926 652595906 /nfs/dbraw/zinc/59/59/06/652595906.db2.gz UFMYQKKOUFUSPV-CYBMUJFWSA-N 1 1 321.421 2.073 20 10 DECDMO [NH3+][C@H]1CCCCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854230201 652661505 /nfs/dbraw/zinc/66/15/05/652661505.db2.gz JKSZIFWPJMNDNM-OALUTQOASA-N 1 1 317.477 2.397 20 10 DECDMO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230201 652661506 /nfs/dbraw/zinc/66/15/06/652661506.db2.gz JKSZIFWPJMNDNM-OALUTQOASA-N 1 1 317.477 2.397 20 10 DECDMO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@@H]1O ZINC000862254293 686266965 /nfs/dbraw/zinc/26/69/65/686266965.db2.gz 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DECDMO CS(=O)(=O)Nc1cccc(C[N@H+]2Cc3cccc(O)c3C2)c1 ZINC000877704033 690197035 /nfs/dbraw/zinc/19/70/35/690197035.db2.gz XKVQQSWRPASTRR-UHFFFAOYSA-N 1 1 318.398 2.280 20 10 DECDMO Cc1ccc(C[N@@H+](C)CCN2CC3(C2)CCOCC3)c(O)c1 ZINC000877767075 690219752 /nfs/dbraw/zinc/21/97/52/690219752.db2.gz VCJSVCLVXVPYJB-UHFFFAOYSA-N 1 1 304.434 2.245 20 10 DECDMO Cc1ccc(CN(C)CC[NH+]2CC3(C2)CCOCC3)c(O)c1 ZINC000877767075 690219754 /nfs/dbraw/zinc/21/97/54/690219754.db2.gz VCJSVCLVXVPYJB-UHFFFAOYSA-N 1 1 304.434 2.245 20 10 DECDMO CO[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000877923202 690261279 /nfs/dbraw/zinc/26/12/79/690261279.db2.gz KWMLXCGWXNPAJH-MAEOIBBWSA-N 1 1 304.434 2.380 20 10 DECDMO COCc1ncc2c(n1)CC[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000879107936 690569614 /nfs/dbraw/zinc/56/96/14/690569614.db2.gz FAYCYULUHPMPPC-UHFFFAOYSA-N 1 1 312.417 2.247 20 10 DECDMO COCc1ncc2c(n1)CC[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000879107936 690569615 /nfs/dbraw/zinc/56/96/15/690569615.db2.gz 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309.431 2.497 20 10 DECDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1C ZINC000273656957 130149670 /nfs/dbraw/zinc/14/96/70/130149670.db2.gz VJIFZGJJHXDRRP-OAHLLOKOSA-N 1 1 303.406 2.045 20 10 DECDMO Cc1cc(O)c(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1C ZINC000273656954 130150085 /nfs/dbraw/zinc/15/00/85/130150085.db2.gz VJIFZGJJHXDRRP-HNNXBMFYSA-N 1 1 303.406 2.045 20 10 DECDMO C[NH+](C)CCN1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113320167 401776147 /nfs/dbraw/zinc/77/61/47/401776147.db2.gz NEOCBFKGLUDOMD-UHFFFAOYSA-N 1 1 311.857 2.161 20 10 DECDMO CCOc1cccc(CN2CC[NH+](CCOC(C)C)CC2)c1O ZINC000093586520 402016419 /nfs/dbraw/zinc/01/64/19/402016419.db2.gz KSMQVEIEGRBGSC-UHFFFAOYSA-N 1 1 322.449 2.334 20 10 DECDMO Cc1cc(O)c(C[NH+]2CCN(C[C@H]3CCOC3)CC2)cc1C ZINC000093817590 402021095 /nfs/dbraw/zinc/02/10/95/402021095.db2.gz ZQPCRLRUEGPPRR-MRXNPFEDSA-N 1 1 304.434 2.163 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](c3cc[nH]n3)C1)OCO2 ZINC000121272172 402024804 /nfs/dbraw/zinc/02/48/04/402024804.db2.gz VTWOZWUXWKDXKR-NSHDSACASA-N 1 1 301.346 2.224 20 10 DECDMO Cc1n[nH]c(C)c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121327031 402029006 /nfs/dbraw/zinc/02/90/06/402029006.db2.gz HMXNGLHMSRZTBO-UHFFFAOYSA-N 1 1 314.433 2.495 20 10 DECDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)COC)cc2F)CC1 ZINC000155320304 402252411 /nfs/dbraw/zinc/25/24/11/402252411.db2.gz RDNBMRZNEHYABN-AWEZNQCLSA-N 1 1 309.429 2.092 20 10 DECDMO COc1ccc(N2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000179238301 402582941 /nfs/dbraw/zinc/58/29/41/402582941.db2.gz ZSAXGQCZRASVKV-INIZCTEOSA-N 1 1 303.450 2.302 20 10 DECDMO Cc1c(/C=C\C(=O)N2CC[N@H+](C)Cc3ccccc32)cnn1C ZINC000255356416 402684877 /nfs/dbraw/zinc/68/48/77/402684877.db2.gz FYKYGIJVBVMGQK-HJWRWDBZSA-N 1 1 310.401 2.220 20 10 DECDMO Cc1c(/C=C\C(=O)N2CC[N@@H+](C)Cc3ccccc32)cnn1C ZINC000255356416 402684879 /nfs/dbraw/zinc/68/48/79/402684879.db2.gz FYKYGIJVBVMGQK-HJWRWDBZSA-N 1 1 310.401 2.220 20 10 DECDMO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC2)cc1 ZINC000175039716 402773459 /nfs/dbraw/zinc/77/34/59/402773459.db2.gz SFZGHYRETOVAGV-HNNXBMFYSA-N 1 1 319.449 2.073 20 10 DECDMO COc1cccc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280118375 402967517 /nfs/dbraw/zinc/96/75/17/402967517.db2.gz BLAVRWBSWSAAOA-QGZVFWFLSA-N 1 1 307.390 2.171 20 10 DECDMO COC(=O)[C@H](C)[N@H+](Cc1cc2c(cc1O)OCO2)C1CCC1 ZINC000276743798 403193066 /nfs/dbraw/zinc/19/30/66/403193066.db2.gz DRUKXAVXECHMNY-JTQLQIEISA-N 1 1 307.346 2.037 20 10 DECDMO COC(=O)[C@H](C)[N@@H+](Cc1cc2c(cc1O)OCO2)C1CCC1 ZINC000276743798 403193067 /nfs/dbraw/zinc/19/30/67/403193067.db2.gz DRUKXAVXECHMNY-JTQLQIEISA-N 1 1 307.346 2.037 20 10 DECDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000271162595 403271376 /nfs/dbraw/zinc/27/13/76/403271376.db2.gz YLDDEVZNFIPEGT-CABCVRRESA-N 1 1 320.433 2.064 20 10 DECDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000292582878 403370643 /nfs/dbraw/zinc/37/06/43/403370643.db2.gz GRZUQVZHWWAMKA-BUUCAEBMSA-N 1 1 306.406 2.348 20 10 DECDMO Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)ccc1N(C)C ZINC000292973348 403385409 /nfs/dbraw/zinc/38/54/09/403385409.db2.gz DPXPEZGZSGCHDN-QGZVFWFLSA-N 1 1 301.434 2.304 20 10 DECDMO CC(C)N1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CC1=O ZINC000293577828 403508807 /nfs/dbraw/zinc/50/88/07/403508807.db2.gz JNLDVGNYXNXPNC-JTQLQIEISA-N 1 1 300.761 2.284 20 10 DECDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)ccc1N(C)C ZINC000294230197 403678345 /nfs/dbraw/zinc/67/83/45/403678345.db2.gz SSRRUMIYEBKEBD-QAPCUYQASA-N 1 1 304.434 2.441 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1 ZINC000294853336 403736575 /nfs/dbraw/zinc/73/65/75/403736575.db2.gz SHKMXGYAFYMFBR-AWEZNQCLSA-N 1 1 308.378 2.063 20 10 DECDMO Cc1ccc(O)c(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000295054391 403745122 /nfs/dbraw/zinc/74/51/22/403745122.db2.gz FZPSFNKPPNIXIW-CQSZACIVSA-N 1 1 324.421 2.018 20 10 DECDMO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295069311 403749145 /nfs/dbraw/zinc/74/91/45/403749145.db2.gz HGMIATGCUPICQY-JTQLQIEISA-N 1 1 316.760 2.457 20 10 DECDMO Cn1ccnc1[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)CO ZINC000295100665 403760017 /nfs/dbraw/zinc/76/00/17/403760017.db2.gz SRHNQAMLKKGWLR-MRXNPFEDSA-N 1 1 315.417 2.204 20 10 DECDMO COc1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1O ZINC000289821471 404000151 /nfs/dbraw/zinc/00/01/51/404000151.db2.gz TXVOTDXFLMUDAE-CQSZACIVSA-N 1 1 322.405 2.454 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@](C)(OC)C2CC2)ccc1[N+](=O)[O-] ZINC000291035769 404371604 /nfs/dbraw/zinc/37/16/04/404371604.db2.gz JSWGDRHSLBCYMR-HNNXBMFYSA-N 1 1 310.350 2.214 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000245736330 225221682 /nfs/dbraw/zinc/22/16/82/225221682.db2.gz FRDOVIKOHNZWMJ-SJORKVTESA-N 1 1 307.390 2.171 20 10 DECDMO Oc1ccc(F)cc1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000371530729 227074482 /nfs/dbraw/zinc/07/44/82/227074482.db2.gz YXVFOSJTPFGWJO-UHFFFAOYSA-N 1 1 322.424 2.466 20 10 DECDMO COc1cccc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000375299814 274145968 /nfs/dbraw/zinc/14/59/68/274145968.db2.gz OAOKGJSWKPGICV-IBGZPJMESA-N 1 1 324.380 2.497 20 10 DECDMO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000377697551 276374967 /nfs/dbraw/zinc/37/49/67/276374967.db2.gz LVVHPITWKPYFCA-NVXWUHKLSA-N 1 1 307.390 2.171 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000377697551 276374968 /nfs/dbraw/zinc/37/49/68/276374968.db2.gz LVVHPITWKPYFCA-NVXWUHKLSA-N 1 1 307.390 2.171 20 10 DECDMO CC[N@H+](Cc1cc(F)ccc1O)[C@H](C)CS(=O)(=O)CC ZINC000180156379 521291259 /nfs/dbraw/zinc/29/12/59/521291259.db2.gz CFNMWYWSIPHNHG-LLVKDONJSA-N 1 1 303.399 2.176 20 10 DECDMO CC[N@@H+](Cc1cc(F)ccc1O)[C@H](C)CS(=O)(=O)CC ZINC000180156379 521291280 /nfs/dbraw/zinc/29/12/80/521291280.db2.gz CFNMWYWSIPHNHG-LLVKDONJSA-N 1 1 303.399 2.176 20 10 DECDMO CN(C)c1ccc(CN(C(=O)[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000264973958 522164393 /nfs/dbraw/zinc/16/43/93/522164393.db2.gz HANSCJAUDKFKCH-KRWDZBQOSA-N 1 1 301.434 2.338 20 10 DECDMO O=C(c1ccco1)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000378370659 534757395 /nfs/dbraw/zinc/75/73/95/534757395.db2.gz PCLNHPUBHBQISO-UHFFFAOYSA-N 1 1 300.358 2.333 20 10 DECDMO C[C@@H]1CN=C(N2CC[NH+](Cc3cc(F)ccc3O)CC2)S1 ZINC000180199481 525090140 /nfs/dbraw/zinc/09/01/40/525090140.db2.gz KQBBFGPQNDFSQJ-LLVKDONJSA-N 1 1 309.410 2.140 20 10 DECDMO COc1c(O)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000285196211 536862371 /nfs/dbraw/zinc/86/23/71/536862371.db2.gz QRLGDSGFMWYXGQ-JSGCOSHPSA-N 1 1 322.361 2.452 20 10 DECDMO C[C@H](CN1CCOCC1)[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054473 649872973 /nfs/dbraw/zinc/87/29/73/649872973.db2.gz QAPYHYJDDWHNPP-KEGWNNHHSA-N 1 1 317.477 2.418 20 10 DECDMO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ncc[nH]1 ZINC000286123996 622624528 /nfs/dbraw/zinc/62/45/28/622624528.db2.gz OFHWKODRFQZRCI-LBPRGKRZSA-N 1 1 318.396 2.361 20 10 DECDMO CC[N@H+](Cc1cc(Cl)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000160555127 623949228 /nfs/dbraw/zinc/94/92/28/623949228.db2.gz RXOKIRYAVDWKHQ-LBPRGKRZSA-N 1 1 303.811 2.055 20 10 DECDMO CC[N@@H+](Cc1cc(Cl)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000160555127 623949235 /nfs/dbraw/zinc/94/92/35/623949235.db2.gz RXOKIRYAVDWKHQ-LBPRGKRZSA-N 1 1 303.811 2.055 20 10 DECDMO C[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000840837653 624159616 /nfs/dbraw/zinc/15/96/16/624159616.db2.gz KIESQUIQWQLRKR-YUMQZZPRSA-N 1 1 303.189 2.486 20 10 DECDMO CCOC(=O)CC[N@@H+](Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000891815544 624612995 /nfs/dbraw/zinc/61/29/95/624612995.db2.gz PSERFZWPENKSTR-UHFFFAOYSA-N 1 1 323.389 2.327 20 10 DECDMO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000736594296 633662574 /nfs/dbraw/zinc/66/25/74/633662574.db2.gz KVPLOEYZVSVNPU-IDFMNXDXSA-N 1 1 304.415 2.282 20 10 DECDMO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000736594296 633662577 /nfs/dbraw/zinc/66/25/77/633662577.db2.gz KVPLOEYZVSVNPU-IDFMNXDXSA-N 1 1 304.415 2.282 20 10 DECDMO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000736594294 633662719 /nfs/dbraw/zinc/66/27/19/633662719.db2.gz KVPLOEYZVSVNPU-JWCBKOKGSA-N 1 1 304.415 2.282 20 10 DECDMO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000736594294 633662723 /nfs/dbraw/zinc/66/27/23/633662723.db2.gz KVPLOEYZVSVNPU-JWCBKOKGSA-N 1 1 304.415 2.282 20 10 DECDMO COc1ccc(C[N@H+]2CCN(C)C[C@H]2C(C)C)c(O)c1OC ZINC000893461500 633790426 /nfs/dbraw/zinc/79/04/26/633790426.db2.gz PFUBSTRHKARQDE-AWEZNQCLSA-N 1 1 308.422 2.181 20 10 DECDMO COc1ccc(CN2CC[N@H+](C)C[C@H]2C(C)C)c(O)c1OC ZINC000893461500 633790429 /nfs/dbraw/zinc/79/04/29/633790429.db2.gz PFUBSTRHKARQDE-AWEZNQCLSA-N 1 1 308.422 2.181 20 10 DECDMO COc1ccc(CN2CC[N@@H+](C)C[C@H]2C(C)C)c(O)c1OC ZINC000893461500 633790434 /nfs/dbraw/zinc/79/04/34/633790434.db2.gz PFUBSTRHKARQDE-AWEZNQCLSA-N 1 1 308.422 2.181 20 10 DECDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922010310 635805860 /nfs/dbraw/zinc/80/58/60/635805860.db2.gz BRCPTELBJUFLKC-INIZCTEOSA-N 1 1 317.477 2.127 20 10 DECDMO COC(=O)c1c(C[N@@H+](C)CC(C)(C)O)c2cc(F)ccc2n1C ZINC000894026062 636095424 /nfs/dbraw/zinc/09/54/24/636095424.db2.gz GSQPLPDSAMRYHZ-UHFFFAOYSA-N 1 1 322.380 2.307 20 10 DECDMO C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756558051 636831548 /nfs/dbraw/zinc/83/15/48/636831548.db2.gz ZBABFVFJHITNLE-IUCAKERBSA-N 1 1 307.221 2.272 20 10 DECDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1C[C@H](O)C12CCOCC2 ZINC000923021838 636915064 /nfs/dbraw/zinc/91/50/64/636915064.db2.gz RCXYQTNKMMVKAP-STQMWFEESA-N 1 1 315.772 2.204 20 10 DECDMO CS(=O)(=O)[C@H]1CCCCN(Cc2cc(F)cc(F)c2O)C1 ZINC000894572946 637112007 /nfs/dbraw/zinc/11/20/07/637112007.db2.gz MHJCKHWQRJQLBU-LBPRGKRZSA-N 1 1 319.373 2.070 20 10 DECDMO COc1cc(C)cc(C[NH2+]Cc2ncnn2C(C)(C)C)c1O ZINC000894670826 637156214 /nfs/dbraw/zinc/15/62/14/637156214.db2.gz MIECJXQUAJVPEC-UHFFFAOYSA-N 1 1 304.394 2.346 20 10 DECDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000895001416 637363233 /nfs/dbraw/zinc/36/32/33/637363233.db2.gz SAZUQFZXWONVPS-SFHVURJKSA-N 1 1 314.360 2.160 20 10 DECDMO CCC[N@@H+](Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000840910338 650377993 /nfs/dbraw/zinc/37/79/93/650377993.db2.gz QZQWOTNKXJBVHR-KRWDZBQOSA-N 1 1 324.490 2.460 20 10 DECDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000895332726 637935974 /nfs/dbraw/zinc/93/59/74/637935974.db2.gz OJZNHVKHYKAJEO-GXTWGEPZSA-N 1 1 307.390 2.340 20 10 DECDMO Brc1cnc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000895408924 638008445 /nfs/dbraw/zinc/00/84/45/638008445.db2.gz OCAWZYIIVXBPHH-UHFFFAOYSA-N 1 1 320.190 2.464 20 10 DECDMO Cc1cc(O)c(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(Cl)c1 ZINC000840950697 650394191 /nfs/dbraw/zinc/39/41/91/650394191.db2.gz MQNLUECJEXKUFI-BETUJISGSA-N 1 1 312.841 2.241 20 10 DECDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c(Cl)c1 ZINC000840950697 650394194 /nfs/dbraw/zinc/39/41/94/650394194.db2.gz MQNLUECJEXKUFI-BETUJISGSA-N 1 1 312.841 2.241 20 10 DECDMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)c(Cl)c1 ZINC000840950697 650394196 /nfs/dbraw/zinc/39/41/96/650394196.db2.gz MQNLUECJEXKUFI-BETUJISGSA-N 1 1 312.841 2.241 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000840940480 650390542 /nfs/dbraw/zinc/39/05/42/650390542.db2.gz AWTWBKKPLPOULM-MRXNPFEDSA-N 1 1 305.466 2.214 20 10 DECDMO CN(Cc1ccccc1O)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000895754965 638182682 /nfs/dbraw/zinc/18/26/82/638182682.db2.gz BCGLZNFOHCWEGJ-OAHLLOKOSA-N 1 1 314.389 2.154 20 10 DECDMO CN(Cc1ccccc1O)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000895754965 638182683 /nfs/dbraw/zinc/18/26/83/638182683.db2.gz BCGLZNFOHCWEGJ-OAHLLOKOSA-N 1 1 314.389 2.154 20 10 DECDMO COc1ccc(CN2CC[N@@H+](C)C(C)(C)CC2)c(O)c1OC ZINC000895778982 638194422 /nfs/dbraw/zinc/19/44/22/638194422.db2.gz MTVNPAPOHDAWED-UHFFFAOYSA-N 1 1 308.422 2.326 20 10 DECDMO COc1ccc(C[N@@H+]2CCN(C)C(C)(C)CC2)c(O)c1OC ZINC000895778982 638194426 /nfs/dbraw/zinc/19/44/26/638194426.db2.gz MTVNPAPOHDAWED-UHFFFAOYSA-N 1 1 308.422 2.326 20 10 DECDMO COc1ccc(C[N@H+]2CCN(C)C(C)(C)CC2)c(O)c1OC ZINC000895778982 638194427 /nfs/dbraw/zinc/19/44/27/638194427.db2.gz MTVNPAPOHDAWED-UHFFFAOYSA-N 1 1 308.422 2.326 20 10 DECDMO CO[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000895928977 638270935 /nfs/dbraw/zinc/27/09/35/638270935.db2.gz WREKOUOBBVWKOV-QFBILLFUSA-N 1 1 317.477 2.438 20 10 DECDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000895928977 638270937 /nfs/dbraw/zinc/27/09/37/638270937.db2.gz WREKOUOBBVWKOV-QFBILLFUSA-N 1 1 317.477 2.438 20 10 DECDMO COCCNCC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000841048718 650414212 /nfs/dbraw/zinc/41/42/12/650414212.db2.gz SBJLWLPYSWSUGM-UHFFFAOYSA-N 1 1 319.371 2.097 20 10 DECDMO COc1cccc(C[N@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000896395755 638500784 /nfs/dbraw/zinc/50/07/84/638500784.db2.gz KVDLOGRWMJHENY-SUMWQHHRSA-N 1 1 320.389 2.111 20 10 DECDMO Cc1cccc(C[N@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000896398159 638502546 /nfs/dbraw/zinc/50/25/46/638502546.db2.gz YPXFWQNXBZIVTL-PBHICJAKSA-N 1 1 304.390 2.411 20 10 DECDMO CC(C)(C)[C@@H](CN)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841087037 650428022 /nfs/dbraw/zinc/42/80/22/650428022.db2.gz IGQZRCPRLLFUDC-MRXNPFEDSA-N 1 1 309.429 2.125 20 10 DECDMO Cc1nn(C)c2ncc(C[NH2+]Cc3c(O)cccc3F)cc12 ZINC000896641493 638622564 /nfs/dbraw/zinc/62/25/64/638622564.db2.gz SCCRDXIIDHQAFC-UHFFFAOYSA-N 1 1 300.337 2.411 20 10 DECDMO CCC[C@H]1CN(C(=O)Nc2ccc(N)cc2)CC[N@H+]1CCOC ZINC000841298879 650471414 /nfs/dbraw/zinc/47/14/14/650471414.db2.gz SITZWUHKRMFKAH-INIZCTEOSA-N 1 1 320.437 2.233 20 10 DECDMO COc1cccc(C[N@@H+](C)C2CCC(NC(C)=O)CC2)c1O ZINC000753592424 639318419 /nfs/dbraw/zinc/31/84/19/639318419.db2.gz YDCUSKKLSBHPRO-UHFFFAOYSA-N 1 1 306.406 2.280 20 10 DECDMO CCNC(=O)C[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754722085 639464964 /nfs/dbraw/zinc/46/49/64/639464964.db2.gz BSVYKCXTBHNTEB-UHFFFAOYSA-N 1 1 308.422 2.266 20 10 DECDMO CCNC(=O)C[N@@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754722085 639464967 /nfs/dbraw/zinc/46/49/67/639464967.db2.gz BSVYKCXTBHNTEB-UHFFFAOYSA-N 1 1 308.422 2.266 20 10 DECDMO O=C(NCc1c(O)cccc1F)c1cc(C[NH+]2CCCC2)on1 ZINC000928706327 639484930 /nfs/dbraw/zinc/48/49/30/639484930.db2.gz QOIZCFLLOIKPII-UHFFFAOYSA-N 1 1 319.336 2.045 20 10 DECDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756554182 639673872 /nfs/dbraw/zinc/67/38/72/639673872.db2.gz NZFGFRZSDNXEKQ-GUTXKFCHSA-N 1 1 321.440 2.305 20 10 DECDMO C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1cc2c(cc1O)CCCC2 ZINC000756733385 639690394 /nfs/dbraw/zinc/69/03/94/639690394.db2.gz QPIJRYQOJYBKRM-LLVKDONJSA-N 1 1 313.405 2.443 20 10 DECDMO C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)c2c1c(F)ccc2O ZINC000756734183 639691317 /nfs/dbraw/zinc/69/13/17/639691317.db2.gz VWCCRPNNXDEGNH-GZMMTYOYSA-N 1 1 303.341 2.191 20 10 DECDMO CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccccn1 ZINC000757890680 639892726 /nfs/dbraw/zinc/89/27/26/639892726.db2.gz SMAQOZOSPXLQFY-UHFFFAOYSA-N 1 1 310.445 2.465 20 10 DECDMO C[N@@H+](Cc1c(O)cccc1Br)C[C@H]1COCCO1 ZINC000862413856 640081059 /nfs/dbraw/zinc/08/10/59/640081059.db2.gz DUAHAXUISJCRNI-JTQLQIEISA-N 1 1 316.195 2.002 20 10 DECDMO C[N@H+](Cc1c(O)cccc1Br)C[C@H]1COCCO1 ZINC000862413856 640081063 /nfs/dbraw/zinc/08/10/63/640081063.db2.gz DUAHAXUISJCRNI-JTQLQIEISA-N 1 1 316.195 2.002 20 10 DECDMO C[C@H]1CC[N@@H+](CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000897428801 640205786 /nfs/dbraw/zinc/20/57/86/640205786.db2.gz SJZOIGRVXXOPPI-HNNXBMFYSA-N 1 1 318.465 2.236 20 10 DECDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1ccc(N)cc1 ZINC000841956918 650612154 /nfs/dbraw/zinc/61/21/54/650612154.db2.gz BOLANKQHSCALFX-SJORKVTESA-N 1 1 316.449 2.080 20 10 DECDMO CCC[N@@H+](Cc1ccccc1O)CC1(CS(C)(=O)=O)CC1 ZINC000767411002 640975664 /nfs/dbraw/zinc/97/56/64/640975664.db2.gz IGQPPPLTKZKKKW-UHFFFAOYSA-N 1 1 311.447 2.429 20 10 DECDMO C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H](C)[NH3+] ZINC000842002865 650625326 /nfs/dbraw/zinc/62/53/26/650625326.db2.gz GZTZPTVOIJJSLQ-NKWVEPMBSA-N 1 1 306.193 2.234 20 10 DECDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cnc2n1CCOC2 ZINC000898267772 641076882 /nfs/dbraw/zinc/07/68/82/641076882.db2.gz PVGCGSRSYGZYDT-UHFFFAOYSA-N 1 1 311.744 2.201 20 10 DECDMO COC(=O)[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000768459611 641085181 /nfs/dbraw/zinc/08/51/81/641085181.db2.gz DWEOZWNYQVXGFC-JTQLQIEISA-N 1 1 314.179 2.150 20 10 DECDMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000768459611 641085183 /nfs/dbraw/zinc/08/51/83/641085183.db2.gz DWEOZWNYQVXGFC-JTQLQIEISA-N 1 1 314.179 2.150 20 10 DECDMO O=C1NCCN1[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000768931965 641145466 /nfs/dbraw/zinc/14/54/66/641145466.db2.gz XNCXIQMYVIOAED-NSHDSACASA-N 1 1 309.797 2.035 20 10 DECDMO CCN(CC)c1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC000769208572 641194487 /nfs/dbraw/zinc/19/44/87/641194487.db2.gz 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ZINC000773372439 641766138 /nfs/dbraw/zinc/76/61/38/641766138.db2.gz UDFFTFARIUZNCR-HUUCEWRRSA-N 1 1 318.465 2.455 20 10 DECDMO CCCCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774828369 641970219 /nfs/dbraw/zinc/97/02/19/641970219.db2.gz ZAVANBQABYPJCZ-UHFFFAOYSA-N 1 1 312.366 2.294 20 10 DECDMO COc1c(O)c(C[N@H+](C)CC2(O)CCCC2)ccc1[N+](=O)[O-] ZINC000774906180 641979670 /nfs/dbraw/zinc/97/96/70/641979670.db2.gz VWRPNJLEELXELS-UHFFFAOYSA-N 1 1 310.350 2.046 20 10 DECDMO COc1c(O)c(C[N@@H+](C)CC2(O)CCCC2)ccc1[N+](=O)[O-] ZINC000774906180 641979673 /nfs/dbraw/zinc/97/96/73/641979673.db2.gz VWRPNJLEELXELS-UHFFFAOYSA-N 1 1 310.350 2.046 20 10 DECDMO CCC(CC)C(=O)N1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000775651005 642072997 /nfs/dbraw/zinc/07/29/97/642072997.db2.gz JMINTYDTZAYADC-UHFFFAOYSA-N 1 1 320.433 2.481 20 10 DECDMO CC[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000775661608 642074203 /nfs/dbraw/zinc/07/42/03/642074203.db2.gz ONRGMTHWTOBKLJ-LPHOPBHVSA-N 1 1 317.477 2.438 20 10 DECDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](C)CN1C ZINC000775981671 642119659 /nfs/dbraw/zinc/11/96/59/642119659.db2.gz SPRNPKXMRIZXBF-HOTGVXAUSA-N 1 1 303.450 2.048 20 10 DECDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000775981671 642119663 /nfs/dbraw/zinc/11/96/63/642119663.db2.gz SPRNPKXMRIZXBF-HOTGVXAUSA-N 1 1 303.450 2.048 20 10 DECDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000775981671 642119664 /nfs/dbraw/zinc/11/96/64/642119664.db2.gz SPRNPKXMRIZXBF-HOTGVXAUSA-N 1 1 303.450 2.048 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CCOCC1)[C@H](O)CO2 ZINC000776771744 642206142 /nfs/dbraw/zinc/20/61/42/642206142.db2.gz JBJDVQWEWJKZOB-NVXWUHKLSA-N 1 1 319.401 2.209 20 10 DECDMO COC(=O)[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000781588125 642767461 /nfs/dbraw/zinc/76/74/61/642767461.db2.gz NBBREMKJGSAGFF-KRWDZBQOSA-N 1 1 318.417 2.205 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)[C@@H](O)CO2 ZINC000842618589 650783727 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CCOc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c(O)c1 ZINC000789564043 643750027 /nfs/dbraw/zinc/75/00/27/643750027.db2.gz OLLQKUBFGOYBQQ-CVEARBPZSA-N 1 1 319.401 2.361 20 10 DECDMO CCOc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c(O)c1 ZINC000789564043 643750029 /nfs/dbraw/zinc/75/00/29/643750029.db2.gz OLLQKUBFGOYBQQ-CVEARBPZSA-N 1 1 319.401 2.361 20 10 DECDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(F)ccc(O)c1O ZINC000789962875 643796136 /nfs/dbraw/zinc/79/61/36/643796136.db2.gz BSSPPRKXHZSRRW-GRYCIOLGSA-N 1 1 324.396 2.333 20 10 DECDMO COc1cc(C)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000790396405 643846835 /nfs/dbraw/zinc/84/68/35/643846835.db2.gz SFDSZVSFCGXKIE-DEYYWGMASA-N 1 1 321.417 2.478 20 10 DECDMO COCC1([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCC1 ZINC000790652716 643878911 /nfs/dbraw/zinc/87/89/11/643878911.db2.gz QVIMTPBDUIBGJY-UHFFFAOYSA-N 1 1 303.450 2.097 20 10 DECDMO NC(=O)C1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790965422 643914612 /nfs/dbraw/zinc/91/46/12/643914612.db2.gz LNMBJCFNFANXNU-UHFFFAOYSA-N 1 1 300.761 2.318 20 10 DECDMO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1CN ZINC000843050852 650877479 /nfs/dbraw/zinc/87/74/79/650877479.db2.gz AIDWSQGBJYEVEG-MAUKXSAKSA-N 1 1 303.450 2.082 20 10 DECDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1CN ZINC000843050852 650877485 /nfs/dbraw/zinc/87/74/85/650877485.db2.gz AIDWSQGBJYEVEG-MAUKXSAKSA-N 1 1 303.450 2.082 20 10 DECDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000791145262 643933584 /nfs/dbraw/zinc/93/35/84/643933584.db2.gz GXMFJZABXAKSIB-BVBGJJFLSA-N 1 1 318.417 2.348 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](c3noc(C)n3)C2)c1O ZINC000905684561 644005298 /nfs/dbraw/zinc/00/52/98/644005298.db2.gz AFRZPQLSPIMCJJ-GFCCVEGCSA-N 1 1 303.362 2.390 20 10 DECDMO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cccc(Br)c1O ZINC000843121699 650900462 /nfs/dbraw/zinc/90/04/62/650900462.db2.gz HPMJKXGZZGPHGN-QWRGUYRKSA-N 1 1 317.202 2.287 20 10 DECDMO COCCC1([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCC1 ZINC000793329925 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Cc1cc(N(C)C)ccc1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000843431398 650973645 /nfs/dbraw/zinc/97/36/45/650973645.db2.gz FRFVGOKQWXLZMZ-UHFFFAOYSA-N 1 1 317.477 2.358 20 10 DECDMO CC[N@H+]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)C1 ZINC000910283690 645388344 /nfs/dbraw/zinc/38/83/44/645388344.db2.gz LNVXKDJOHSHXML-CFNZNRNTSA-N 1 1 304.390 2.054 20 10 DECDMO CC[N@H+]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H](C)C1 ZINC000910283691 645388523 /nfs/dbraw/zinc/38/85/23/645388523.db2.gz LNVXKDJOHSHXML-FWPCIQOSSA-N 1 1 304.390 2.054 20 10 DECDMO COc1ccc(N2CCC([NH2+]Cc3n[nH]cc3C)CC2)cc1 ZINC000810142172 646331318 /nfs/dbraw/zinc/33/13/18/646331318.db2.gz UZCDTKZFNASTHX-UHFFFAOYSA-N 1 1 300.406 2.485 20 10 DECDMO Cc1cc(O)c(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000054847837 646399382 /nfs/dbraw/zinc/39/93/82/646399382.db2.gz HUVDTPYUVKOYQC-HNNXBMFYSA-N 1 1 309.431 2.161 20 10 DECDMO Cc1cc(O)c(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000054847837 646399385 /nfs/dbraw/zinc/39/93/85/646399385.db2.gz HUVDTPYUVKOYQC-HNNXBMFYSA-N 1 1 309.431 2.161 20 10 DECDMO COc1cc(Cl)cc(C[N@H+](C)CC(=O)N2CCCC2)c1O ZINC000228584720 646633547 /nfs/dbraw/zinc/63/35/47/646633547.db2.gz GNRLRVLDBZBQSM-UHFFFAOYSA-N 1 1 312.797 2.108 20 10 DECDMO COc1cc(Cl)cc(C[N@@H+](C)CC(=O)N2CCCC2)c1O ZINC000228584720 646633549 /nfs/dbraw/zinc/63/35/49/646633549.db2.gz GNRLRVLDBZBQSM-UHFFFAOYSA-N 1 1 312.797 2.108 20 10 DECDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)cc1 ZINC000815103384 646969610 /nfs/dbraw/zinc/96/96/10/646969610.db2.gz PMKQOBZMCUTZKT-INIZCTEOSA-N 1 1 305.466 2.295 20 10 DECDMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)O ZINC000815155440 646980917 /nfs/dbraw/zinc/98/09/17/646980917.db2.gz PMQFOJIGNVYPBJ-QGZVFWFLSA-N 1 1 305.466 2.078 20 10 DECDMO CC(C)(C[NH2+]Cc1cc(Cl)c(F)cc1O)S(C)(=O)=O ZINC000816555141 647151858 /nfs/dbraw/zinc/15/18/58/647151858.db2.gz VHXHWGCULJXUIL-UHFFFAOYSA-N 1 1 309.790 2.098 20 10 DECDMO CC(C)S(=O)(=O)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816613406 647158883 /nfs/dbraw/zinc/15/88/83/647158883.db2.gz SSMCPYZFWPIKQJ-UHFFFAOYSA-N 1 1 309.790 2.098 20 10 DECDMO COc1c(O)c(C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000817408820 647286759 /nfs/dbraw/zinc/28/67/59/647286759.db2.gz PUHMCBDIZHLHIB-AMFBXLIHSA-N 1 1 324.377 2.458 20 10 DECDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000817413128 647289327 /nfs/dbraw/zinc/28/93/27/647289327.db2.gz UOWMRKDAFWYBOA-HOCLYGCPSA-N 1 1 322.424 2.113 20 10 DECDMO COc1ccc(N2CCC(N[C@@H](C)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000817903833 647378484 /nfs/dbraw/zinc/37/84/84/647378484.db2.gz VTEAMPQTGGBTDZ-KSSFIOAISA-N 1 1 303.450 2.394 20 10 DECDMO C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc2ccccc2c1[O-] ZINC000817935085 647387292 /nfs/dbraw/zinc/38/72/92/647387292.db2.gz GEMTYQZADOFMJU-OAHLLOKOSA-N 1 1 313.445 2.491 20 10 DECDMO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)OC ZINC000818116874 647423281 /nfs/dbraw/zinc/42/32/81/647423281.db2.gz QXZRRMPJVLPJHR-CJNGLKHVSA-N 1 1 306.406 2.063 20 10 DECDMO COC(=O)[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000818117197 647423508 /nfs/dbraw/zinc/42/35/08/647423508.db2.gz WCCJARWFKXFODO-DYVFJYSZSA-N 1 1 318.417 2.063 20 10 DECDMO Cc1ccc(NCCNC(=O)NCc2ccccc2O)[nH+]c1 ZINC000915525510 647585853 /nfs/dbraw/zinc/58/58/53/647585853.db2.gz PSCJRKDHSZMDJR-UHFFFAOYSA-N 1 1 300.362 2.007 20 10 DECDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)CN1CCCC1 ZINC000917013988 647955325 /nfs/dbraw/zinc/95/53/25/647955325.db2.gz KSNMQEQREHOCSD-LJQANCHMSA-N 1 1 319.493 2.420 20 10 DECDMO CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000917013988 647955330 /nfs/dbraw/zinc/95/53/30/647955330.db2.gz KSNMQEQREHOCSD-LJQANCHMSA-N 1 1 319.493 2.420 20 10 DECDMO COc1ccc(N(C)Cc2c[nH+]c(N(C)C)n2C)cc1OC ZINC000822470204 648214467 /nfs/dbraw/zinc/21/44/67/648214467.db2.gz JGTGGYPNVNPXMB-UHFFFAOYSA-N 1 1 304.394 2.140 20 10 DECDMO C[N@@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501417 648598423 /nfs/dbraw/zinc/59/84/23/648598423.db2.gz 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ZINC000825133243 648709356 /nfs/dbraw/zinc/70/93/56/648709356.db2.gz AJPWZMLIPPHXGS-MRXNPFEDSA-N 1 1 322.361 2.312 20 10 DECDMO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)CC[C@@H]1O ZINC000825567995 648782015 /nfs/dbraw/zinc/78/20/15/648782015.db2.gz QFDLLTBMRYOEAF-CABZTGNLSA-N 1 1 300.196 2.357 20 10 DECDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000825624287 648789948 /nfs/dbraw/zinc/78/99/48/648789948.db2.gz KKZZEORWBFTXJD-UHFFFAOYSA-N 1 1 310.369 2.183 20 10 DECDMO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)[C@H]1CO ZINC000825634229 648791730 /nfs/dbraw/zinc/79/17/30/648791730.db2.gz JXNLKZJEJRIYAY-SKDRFNHKSA-N 1 1 300.196 2.357 20 10 DECDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1Cl ZINC000825658939 648795365 /nfs/dbraw/zinc/79/53/65/648795365.db2.gz UQCALLCMIRSXKB-ITDIGPHOSA-N 1 1 308.809 2.440 20 10 DECDMO Cc1cc(O)c(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1Cl ZINC000825745284 648808234 /nfs/dbraw/zinc/80/82/34/648808234.db2.gz WZAOVMVGMNPIDH-OLZOCXBDSA-N 1 1 312.841 2.241 20 10 DECDMO C[C@@H](O)C[N@@H+](Cc1ccc(Br)cc1O)C1CC1 ZINC000826539009 648874603 /nfs/dbraw/zinc/87/46/03/648874603.db2.gz NJISNLIZEOEFBB-SECBINFHSA-N 1 1 300.196 2.500 20 10 DECDMO Cc1cc(O)c(C[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1Cl ZINC000826853693 648937896 /nfs/dbraw/zinc/93/78/96/648937896.db2.gz XVJGNWDJFSFKDU-LBPRGKRZSA-N 1 1 306.797 2.468 20 10 DECDMO CO[C@@]1(CO)CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000826952860 648952310 /nfs/dbraw/zinc/95/23/10/648952310.db2.gz VJMDQVIEJRJLSW-SUZKBHRPSA-N 1 1 304.434 2.239 20 10 DECDMO CCS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000827581055 649053371 /nfs/dbraw/zinc/05/33/71/649053371.db2.gz ZTCFXSNNJPKAKR-UHFFFAOYSA-N 1 1 321.801 2.242 20 10 DECDMO CCOc1ccc(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c(O)c1 ZINC000827634078 649060043 /nfs/dbraw/zinc/06/00/43/649060043.db2.gz HRLYTYHINFJABO-AWEZNQCLSA-N 1 1 318.417 2.235 20 10 DECDMO CN1CCC[C@@H]1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000844307893 651108854 /nfs/dbraw/zinc/10/88/54/651108854.db2.gz VRRNNSUYQFKBJK-IAGOWNOFSA-N 1 1 304.434 2.467 20 10 DECDMO C[N@@H+]1CCC[C@@H]1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000844307893 651108856 /nfs/dbraw/zinc/10/88/56/651108856.db2.gz VRRNNSUYQFKBJK-IAGOWNOFSA-N 1 1 304.434 2.467 20 10 DECDMO C[N@H+]1CCC[C@@H]1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000844307893 651108858 /nfs/dbraw/zinc/10/88/58/651108858.db2.gz VRRNNSUYQFKBJK-IAGOWNOFSA-N 1 1 304.434 2.467 20 10 DECDMO COc1ccc(N(C)CC[N@@H+](C)CCc2ccnn2C)cc1 ZINC000844400310 651122871 /nfs/dbraw/zinc/12/28/71/651122871.db2.gz AHZAMLXRAPUUJU-UHFFFAOYSA-N 1 1 302.422 2.039 20 10 DECDMO COc1ccc(N(C)CC[N@@H+](C)CCOC[C@H]2CCCO2)cc1 ZINC000844401350 651123301 /nfs/dbraw/zinc/12/33/01/651123301.db2.gz MJVLGWTVMLXFFV-GOSISDBHSA-N 1 1 322.449 2.259 20 10 DECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000844471694 651133380 /nfs/dbraw/zinc/13/33/80/651133380.db2.gz RBIUUPXPNQEHBD-INIZCTEOSA-N 1 1 323.387 2.100 20 10 DECDMO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC000844902208 651180958 /nfs/dbraw/zinc/18/09/58/651180958.db2.gz LBFLYGGKEWKJTL-XNRPHZJLSA-N 1 1 308.397 2.250 20 10 DECDMO CCO[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844903932 651181303 /nfs/dbraw/zinc/18/13/03/651181303.db2.gz SFAGUCCCJDDZSY-WXFDERKXSA-N 1 1 303.450 2.061 20 10 DECDMO C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@@H+](C)C1CC1 ZINC000844951625 651187323 /nfs/dbraw/zinc/18/73/23/651187323.db2.gz DCBNJLAMOLTPHM-SNVBAGLBSA-N 1 1 311.813 2.328 20 10 DECDMO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)CC[N@H+]1C ZINC000845010521 651193111 /nfs/dbraw/zinc/19/31/11/651193111.db2.gz MPMBHTTUSRTDRP-MFKMUULPSA-N 1 1 311.813 2.328 20 10 DECDMO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000846013206 651301700 /nfs/dbraw/zinc/30/17/00/651301700.db2.gz IVTCXNQYYXXPJX-PWSUYJOCSA-N 1 1 312.366 2.196 20 10 DECDMO CC[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)CO1 ZINC000846045183 651304309 /nfs/dbraw/zinc/30/43/09/651304309.db2.gz VNMZSQHCSLIYBF-LPHOPBHVSA-N 1 1 317.477 2.438 20 10 DECDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)ccc2O)C[C@H]1C1CC1 ZINC000846123027 651309252 /nfs/dbraw/zinc/30/92/52/651309252.db2.gz NNKXJXRZWHOATC-LSDHHAIUSA-N 1 1 305.374 2.032 20 10 DECDMO CCc1cccc(C[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c1O ZINC000848892676 651547702 /nfs/dbraw/zinc/54/77/02/651547702.db2.gz DOSKIBPRZPDLAK-GOSISDBHSA-N 1 1 319.493 2.316 20 10 DECDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1c(F)ccc(O)c1O ZINC000857322978 652105451 /nfs/dbraw/zinc/10/54/51/652105451.db2.gz WDBCCSPMTYLRKA-NSHDSACASA-N 1 1 322.380 2.374 20 10 DECDMO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858116809 652257686 /nfs/dbraw/zinc/25/76/86/652257686.db2.gz ZCHHEVCXTJTPTN-MNOVXSKESA-N 1 1 313.392 2.424 20 10 DECDMO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1F ZINC000858149931 652266626 /nfs/dbraw/zinc/26/66/26/652266626.db2.gz AGKHBAQXEBIYAJ-GFCCVEGCSA-N 1 1 306.360 2.401 20 10 DECDMO Cc1cc(C[N@H+]2CCC(CO)(CO)C2)ccc1N1CCCCC1 ZINC000852631999 652430349 /nfs/dbraw/zinc/43/03/49/652430349.db2.gz NRFIUEKLEXXLSY-UHFFFAOYSA-N 1 1 318.461 2.162 20 10 DECDMO COC(=O)NC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000852769182 652453258 /nfs/dbraw/zinc/45/32/58/652453258.db2.gz PWLRTSRQCQEQDH-UHFFFAOYSA-N 1 1 324.352 2.054 20 10 DECDMO COC(=O)CCCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000859059914 685646548 /nfs/dbraw/zinc/64/65/48/685646548.db2.gz KXONOTRYEIWNAH-UHFFFAOYSA-N 1 1 320.433 2.298 20 10 DECDMO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000042290098 683895982 /nfs/dbraw/zinc/89/59/82/683895982.db2.gz JCOOASBHVBUUCO-HNNXBMFYSA-N 1 1 319.449 2.074 20 10 DECDMO CC[N@H+](Cc1cc(Cl)ccc1O)[C@H](C)CS(C)(=O)=O ZINC000093390623 684049255 /nfs/dbraw/zinc/04/92/55/684049255.db2.gz BUNINMNVSHIRRZ-SNVBAGLBSA-N 1 1 305.827 2.301 20 10 DECDMO CC[N@@H+](Cc1cc(Cl)ccc1O)[C@H](C)CS(C)(=O)=O ZINC000093390623 684049256 /nfs/dbraw/zinc/04/92/56/684049256.db2.gz BUNINMNVSHIRRZ-SNVBAGLBSA-N 1 1 305.827 2.301 20 10 DECDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1[O-] ZINC000123990852 684130105 /nfs/dbraw/zinc/13/01/05/684130105.db2.gz BSMNTEBTHNVJDC-VQISRLSMSA-N 1 1 309.793 2.451 20 10 DECDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1O ZINC000123990852 684130106 /nfs/dbraw/zinc/13/01/06/684130106.db2.gz BSMNTEBTHNVJDC-VQISRLSMSA-N 1 1 309.793 2.451 20 10 DECDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1O ZINC000123990852 684130107 /nfs/dbraw/zinc/13/01/07/684130107.db2.gz BSMNTEBTHNVJDC-VQISRLSMSA-N 1 1 309.793 2.451 20 10 DECDMO CCOc1cccc(C[N@@H+]2CCN(CC)C(=O)C2(C)C)c1O ZINC000190028411 684395182 /nfs/dbraw/zinc/39/51/82/684395182.db2.gz HLMBDQCSQBBATD-UHFFFAOYSA-N 1 1 306.406 2.234 20 10 DECDMO CCOc1cccc(C[N@H+]2CCN(CC)C(=O)C2(C)C)c1O ZINC000190028411 684395183 /nfs/dbraw/zinc/39/51/83/684395183.db2.gz HLMBDQCSQBBATD-UHFFFAOYSA-N 1 1 306.406 2.234 20 10 DECDMO CN(C)c1cc(F)c(C[N@H+](CC(N)=O)C2CCCC2)cc1F ZINC000862220341 686256994 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20 10 DECDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](F)[C@H](O)C2)c1 ZINC001236663699 1138391714 /nfs/dbraw/zinc/39/17/14/1138391714.db2.gz OZSMWECYBQSECM-NWDGAFQWSA-N 1 1 318.186 2.368 20 10 DECDMO C[C@@H]1C[N@@H+](Cc2cc(O)c(Br)cc2O)CCCO1 ZINC001236769637 1138405859 /nfs/dbraw/zinc/40/58/59/1138405859.db2.gz XTCKUAGUNAAXQK-SECBINFHSA-N 1 1 316.195 2.471 20 10 DECDMO Oc1cc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c(O)cc1Br ZINC001236770828 1138423334 /nfs/dbraw/zinc/42/33/34/1138423334.db2.gz KUPCNNPHXZVUNB-ISVAXAHUSA-N 1 1 314.179 2.081 20 10 DECDMO C[C@@H]1C[N@H+](Cc2cc(O)c(Br)cc2O)CCCO1 ZINC001236769637 1138405857 /nfs/dbraw/zinc/40/58/57/1138405857.db2.gz XTCKUAGUNAAXQK-SECBINFHSA-N 1 1 316.195 2.471 20 10 DECDMO C[C@@H]1C[N@H+](Cc2cc(O)c(Br)cc2O)CC[C@@H]1O ZINC001236767668 1138419106 /nfs/dbraw/zinc/41/91/06/1138419106.db2.gz LERLXIHEWTWABX-KCJUWKMLSA-N 1 1 316.195 2.063 20 10 DECDMO C[C@@H]1C[N@@H+](Cc2cc(O)c(Br)cc2O)CC[C@@H]1O ZINC001236767668 1138419116 /nfs/dbraw/zinc/41/91/16/1138419116.db2.gz LERLXIHEWTWABX-KCJUWKMLSA-N 1 1 316.195 2.063 20 10 DECDMO Oc1cc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c(O)cc1Br ZINC001236770828 1138423329 /nfs/dbraw/zinc/42/33/29/1138423329.db2.gz KUPCNNPHXZVUNB-ISVAXAHUSA-N 1 1 314.179 2.081 20 10 DECDMO COC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236799668 1138431273 /nfs/dbraw/zinc/43/12/73/1138431273.db2.gz VACUPSKUMDPZCR-JTQLQIEISA-N 1 1 313.781 2.439 20 10 DECDMO CCOC(=O)CC[N@@H+](C)Cc1c(O)cc(OC)cc1Cl ZINC001236802693 1138431722 /nfs/dbraw/zinc/43/17/22/1138431722.db2.gz KELKVGHMBATBDS-UHFFFAOYSA-N 1 1 301.770 2.439 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1 ZINC001236812907 1138437464 /nfs/dbraw/zinc/43/74/64/1138437464.db2.gz HEJFQKOUJBRVIM-ZDUSSCGKSA-N 1 1 306.406 2.009 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCC[C@H](n3ccnn3)C2)c(O)c1 ZINC001236816762 1138439047 /nfs/dbraw/zinc/43/90/47/1138439047.db2.gz WHPBXZDHBSYWTB-ZDUSSCGKSA-N 1 1 302.378 2.138 20 10 DECDMO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001237119378 1138507257 /nfs/dbraw/zinc/50/72/57/1138507257.db2.gz GNIJZHCUXKGGAV-ONGXEEELSA-N 1 1 309.259 2.196 20 10 DECDMO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001237119378 1138507260 /nfs/dbraw/zinc/50/72/60/1138507260.db2.gz GNIJZHCUXKGGAV-ONGXEEELSA-N 1 1 309.259 2.196 20 10 DECDMO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1c(C)cccc1O)C2 ZINC001237486417 1138654215 /nfs/dbraw/zinc/65/42/15/1138654215.db2.gz RTIVJHIECZTBLL-ZDUSSCGKSA-N 1 1 316.405 2.058 20 10 DECDMO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1c(C)cccc1O)C2 ZINC001237486417 1138654222 /nfs/dbraw/zinc/65/42/22/1138654222.db2.gz RTIVJHIECZTBLL-ZDUSSCGKSA-N 1 1 316.405 2.058 20 10 DECDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c(O)c(OC)c1 ZINC001237675583 1138750677 /nfs/dbraw/zinc/75/06/77/1138750677.db2.gz YDBMBKKOUZKMSH-PXAZEXFGSA-N 1 1 309.406 2.392 20 10 DECDMO CNC(=O)CC[N@@H+](C)Cc1cc(Br)c(C)cc1O ZINC001237677793 1138752459 /nfs/dbraw/zinc/75/24/59/1138752459.db2.gz DRPYNXMUXRIKSL-UHFFFAOYSA-N 1 1 315.211 2.031 20 10 DECDMO Cc1cc(Cl)cc(CN2CC([N@H+](C)[C@@H]3CCOC3)C2)c1O ZINC001237687379 1138759119 /nfs/dbraw/zinc/75/91/19/1138759119.db2.gz ZFYZAGACVXZEMU-CQSZACIVSA-N 1 1 310.825 2.259 20 10 DECDMO Cc1cc(F)cc(C[N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c1O ZINC001238067387 1138819577 /nfs/dbraw/zinc/81/95/77/1138819577.db2.gz SWYCKTYMFCNVRN-AWEZNQCLSA-N 1 1 321.327 2.422 20 10 DECDMO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001294936027 1139308505 /nfs/dbraw/zinc/30/85/05/1139308505.db2.gz CCXLJRHMUZPYHV-AVGNSLFASA-N 1 1 306.406 2.308 20 10 DECDMO COc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2)c(O)c1 ZINC001321066782 1141044736 /nfs/dbraw/zinc/04/47/36/1141044736.db2.gz BJTPMIQSHLYINF-UHFFFAOYSA-N 1 1 314.385 2.149 20 10 DECDMO COc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2)c(O)c1 ZINC001321066782 1141044743 /nfs/dbraw/zinc/04/47/43/1141044743.db2.gz BJTPMIQSHLYINF-UHFFFAOYSA-N 1 1 314.385 2.149 20 10 DECDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c(O)c1 ZINC001249178802 1141857355 /nfs/dbraw/zinc/85/73/55/1141857355.db2.gz VXUMLBHJOFMMQZ-RHSMWYFYSA-N 1 1 319.401 2.109 20 10 DECDMO COC(=O)Cc1ccc(CN(C)CCC[NH+]2CCCC2)c(O)c1 ZINC001249201554 1141859164 /nfs/dbraw/zinc/85/91/64/1141859164.db2.gz XQNINYIVQKIJHM-UHFFFAOYSA-N 1 1 320.433 2.025 20 10 DECDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c(O)c1 ZINC001249207289 1141859637 /nfs/dbraw/zinc/85/96/37/1141859637.db2.gz ANJNSAOEXCKTIQ-SFHVURJKSA-N 1 1 319.401 2.110 20 10 DECDMO COC(=O)Cc1ccc(C[N@H+]2CCCC[C@H]2C(C)=O)c(O)c1 ZINC001249215043 1141860218 /nfs/dbraw/zinc/86/02/18/1141860218.db2.gz VHQPHSUQWIHDMY-HNNXBMFYSA-N 1 1 305.374 2.051 20 10 DECDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CC[C@](F)(CO)C3)ccc2O1 ZINC001249224190 1141862399 /nfs/dbraw/zinc/86/23/99/1141862399.db2.gz UHKQRYFDVJCQNY-QGZVFWFLSA-N 1 1 307.365 2.483 20 10 DECDMO C[NH+]1CCN(c2ccc(CNCC(C)(F)F)cc2F)CC1 ZINC001324491521 1142087215 /nfs/dbraw/zinc/08/72/15/1142087215.db2.gz LUSHRPHDGGJYQE-UHFFFAOYSA-N 1 1 301.356 2.322 20 10 DECDMO Oc1cccc2c1C[N@@H+](C[C@H](O)COc1ccc(F)cc1)CC2 ZINC001251931054 1142549710 /nfs/dbraw/zinc/54/97/10/1142549710.db2.gz UFFHBJZCHPFUFL-HNNXBMFYSA-N 1 1 317.360 2.329 20 10 DECDMO CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)c1O ZINC001254004500 1143022705 /nfs/dbraw/zinc/02/27/05/1143022705.db2.gz KYNSJHRRZOGBFT-AWEZNQCLSA-N 1 1 318.417 2.282 20 10 DECDMO COCC[N@H+]1CCN(Cc2cc(F)c(F)cc2O)C(C)(C)C1 ZINC001308846176 1147487756 /nfs/dbraw/zinc/48/77/56/1147487756.db2.gz OKDAQPBFDUJDBS-UHFFFAOYSA-N 1 1 314.376 2.213 20 10 DECDMO COCCn1cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cn1 ZINC001327069252 1148320171 /nfs/dbraw/zinc/32/01/71/1148320171.db2.gz STRIBGXQYBEURU-JTQLQIEISA-N 1 1 311.332 2.364 20 10 DECDMO CN(CCC[N@@H+](C)Cc1cccc(Cl)c1[O-])CC[NH+](C)C ZINC000290009622 282092287 /nfs/dbraw/zinc/09/22/87/282092287.db2.gz DMTYGYZSEINMAD-UHFFFAOYSA-N 1 1 313.873 2.361 20 10 DECDMO COC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079411488 185170169 /nfs/dbraw/zinc/17/01/69/185170169.db2.gz PSEXUXGJCWVFJC-NSHDSACASA-N 1 1 309.337 2.119 20 10 DECDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000079411488 185170170 /nfs/dbraw/zinc/17/01/70/185170170.db2.gz PSEXUXGJCWVFJC-NSHDSACASA-N 1 1 309.337 2.119 20 10 DECDMO CCN(CC)C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000096970990 185394867 /nfs/dbraw/zinc/39/48/67/185394867.db2.gz KRFCKXBEYFTOGK-MRXNPFEDSA-N 1 1 320.433 2.242 20 10 DECDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092733712 185337241 /nfs/dbraw/zinc/33/72/41/185337241.db2.gz VBMCHXYFKAQRGO-MRXNPFEDSA-N 1 1 303.450 2.491 20 10 DECDMO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373931418 530003336 /nfs/dbraw/zinc/00/33/36/530003336.db2.gz BOEOJERFFDGURA-GJZGRUSLSA-N 1 1 303.406 2.160 20 10 DECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C(=O)NC)C2)cc1 ZINC000093361290 193237820 /nfs/dbraw/zinc/23/78/20/193237820.db2.gz BQERXDUBUJGGTQ-MRXNPFEDSA-N 1 1 303.450 2.491 20 10 DECDMO C[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[N@@H+](C)C1CC1 ZINC000105269167 194091376 /nfs/dbraw/zinc/09/13/76/194091376.db2.gz XSDZUMIOCNIPNU-CQSZACIVSA-N 1 1 318.465 2.377 20 10 DECDMO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](C)CS(=O)(=O)CC ZINC000093413678 285101400 /nfs/dbraw/zinc/10/14/00/285101400.db2.gz YYBZYZOXXQRAQR-CQSZACIVSA-N 1 1 312.479 2.398 20 10 DECDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H](C)CS(=O)(=O)CC ZINC000093413678 285101402 /nfs/dbraw/zinc/10/14/02/285101402.db2.gz YYBZYZOXXQRAQR-CQSZACIVSA-N 1 1 312.479 2.398 20 10 DECDMO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000275719522 130370073 /nfs/dbraw/zinc/37/00/73/130370073.db2.gz YYCOCUWRERHTGL-ZFWWWQNUSA-N 1 1 305.353 2.275 20 10 DECDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1C ZINC000284973540 131127314 /nfs/dbraw/zinc/12/73/14/131127314.db2.gz BGLOMUCCJWTZLW-RDJZCZTQSA-N 1 1 304.434 2.304 20 10 DECDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000092218112 402003101 /nfs/dbraw/zinc/00/31/01/402003101.db2.gz AXNKMPYTMDRILW-OAHLLOKOSA-N 1 1 310.825 2.342 20 10 DECDMO CN(C)C(=O)c1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)[nH]1 ZINC000155186956 402248083 /nfs/dbraw/zinc/24/80/83/402248083.db2.gz PPPYGNKCPKIYHA-UHFFFAOYSA-N 1 1 314.433 2.415 20 10 DECDMO CC[C@@H](COC)[NH2+]Cc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000155314002 402252126 /nfs/dbraw/zinc/25/21/26/402252126.db2.gz KLWYNYLWRAURAS-INIZCTEOSA-N 1 1 323.456 2.482 20 10 DECDMO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c1 ZINC000185343746 402345172 /nfs/dbraw/zinc/34/51/72/402345172.db2.gz MFQBAEASVFBYTR-CVEARBPZSA-N 1 1 305.466 2.235 20 10 DECDMO CCCOc1ccc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(O)c1 ZINC000245699967 402480449 /nfs/dbraw/zinc/48/04/49/402480449.db2.gz CWHLQFMQHFXNSS-GJZGRUSLSA-N 1 1 322.449 2.068 20 10 DECDMO CCCOc1ccc(C[N@@H+]2CCN(C[C@H](C)O)[C@@H](C)C2)c(O)c1 ZINC000245699967 402480453 /nfs/dbraw/zinc/48/04/53/402480453.db2.gz CWHLQFMQHFXNSS-GJZGRUSLSA-N 1 1 322.449 2.068 20 10 DECDMO CCCOc1ccc(C[N@H+]2CCN(C[C@H](C)O)[C@@H](C)C2)c(O)c1 ZINC000245699967 402480458 /nfs/dbraw/zinc/48/04/58/402480458.db2.gz CWHLQFMQHFXNSS-GJZGRUSLSA-N 1 1 322.449 2.068 20 10 DECDMO COc1ccc(N2CCN(CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000179238289 402582806 /nfs/dbraw/zinc/58/28/06/402582806.db2.gz ZSAXGQCZRASVKV-MRXNPFEDSA-N 1 1 303.450 2.302 20 10 DECDMO O=C(c1cccc(O)c1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179567892 402595317 /nfs/dbraw/zinc/59/53/17/402595317.db2.gz QYDHIGXGFCSXTF-UHFFFAOYSA-N 1 1 312.369 2.056 20 10 DECDMO COc1cc(O)c(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000179733959 402598731 /nfs/dbraw/zinc/59/87/31/402598731.db2.gz OXXLNWBYAZSVHM-CYBMUJFWSA-N 1 1 308.422 2.183 20 10 DECDMO COc1cc(O)c(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000179733959 402598735 /nfs/dbraw/zinc/59/87/35/402598735.db2.gz OXXLNWBYAZSVHM-CYBMUJFWSA-N 1 1 308.422 2.183 20 10 DECDMO COc1cc(O)c(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000179733959 402598736 /nfs/dbraw/zinc/59/87/36/402598736.db2.gz OXXLNWBYAZSVHM-CYBMUJFWSA-N 1 1 308.422 2.183 20 10 DECDMO COc1cc(O)c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000179733959 402598738 /nfs/dbraw/zinc/59/87/38/402598738.db2.gz OXXLNWBYAZSVHM-CYBMUJFWSA-N 1 1 308.422 2.183 20 10 DECDMO COc1cc([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1OC ZINC000292873651 286248769 /nfs/dbraw/zinc/24/87/69/286248769.db2.gz UALYNIDSAUOIFU-PHIMTYICSA-N 1 1 309.366 2.141 20 10 DECDMO COc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)c1 ZINC000191747146 402689813 /nfs/dbraw/zinc/68/98/13/402689813.db2.gz ALDNALDPADSIGO-OAHLLOKOSA-N 1 1 319.430 2.424 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)c1 ZINC000191747146 402689815 /nfs/dbraw/zinc/68/98/15/402689815.db2.gz ALDNALDPADSIGO-OAHLLOKOSA-N 1 1 319.430 2.424 20 10 DECDMO COc1c(O)c(C[N@H+](C)[C@@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000278205020 402861874 /nfs/dbraw/zinc/86/18/74/402861874.db2.gz JMRVVLTXTHAFOW-LBPRGKRZSA-N 1 1 312.366 2.148 20 10 DECDMO COc1c(O)c(C[N@@H+](C)[C@@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000278205020 402861875 /nfs/dbraw/zinc/86/18/75/402861875.db2.gz JMRVVLTXTHAFOW-LBPRGKRZSA-N 1 1 312.366 2.148 20 10 DECDMO COc1c(O)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000278499429 402867032 /nfs/dbraw/zinc/86/70/32/402867032.db2.gz NJIMRHPZSVTRKB-VQISRLSMSA-N 1 1 322.361 2.212 20 10 DECDMO COc1c(O)c(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000278487426 402867177 /nfs/dbraw/zinc/86/71/77/402867177.db2.gz KTDPHNCOIMZZEL-OCCSQVGLSA-N 1 1 322.361 2.356 20 10 DECDMO C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000271854482 402884660 /nfs/dbraw/zinc/88/46/60/402884660.db2.gz UKQIOHOQRDZHGJ-UHFFFAOYSA-N 1 1 311.769 2.305 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)N(C)C2CC2)c1 ZINC000273465101 403006843 /nfs/dbraw/zinc/00/68/43/403006843.db2.gz DOSUGQXBJQQALK-NWDGAFQWSA-N 1 1 306.406 2.312 20 10 DECDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1O ZINC000274918691 403096724 /nfs/dbraw/zinc/09/67/24/403096724.db2.gz WUKYNNVLESDWAH-AWEZNQCLSA-N 1 1 312.369 2.102 20 10 DECDMO CCCC[N@@H+](CCN1C(=O)CCC1=O)Cc1ccccc1O ZINC000282363403 403146545 /nfs/dbraw/zinc/14/65/45/403146545.db2.gz DLXKGCUTHVLCNH-UHFFFAOYSA-N 1 1 304.390 2.143 20 10 DECDMO CCCC[N@@H+](CC(=O)NC[C@H]1CCCO1)Cc1ccccc1O ZINC000282479760 403155671 /nfs/dbraw/zinc/15/56/71/403155671.db2.gz OSRMCMBPJJKJNU-MRXNPFEDSA-N 1 1 320.433 2.290 20 10 DECDMO CCCOc1ccc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)c(O)c1 ZINC000277572759 403232423 /nfs/dbraw/zinc/23/24/23/403232423.db2.gz SSNMIXYMOOGBJN-ZSEKCTLFSA-N 1 1 311.447 2.381 20 10 DECDMO CCCOc1ccc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)c(O)c1 ZINC000277572759 403232426 /nfs/dbraw/zinc/23/24/26/403232426.db2.gz SSNMIXYMOOGBJN-ZSEKCTLFSA-N 1 1 311.447 2.381 20 10 DECDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000292582882 403370623 /nfs/dbraw/zinc/37/06/23/403370623.db2.gz GRZUQVZHWWAMKA-XOVSCCBYSA-N 1 1 306.406 2.348 20 10 DECDMO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)c(O)c1 ZINC000293635018 403524597 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C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1c(O)cccc1F ZINC001350087211 1151323796 /nfs/dbraw/zinc/32/37/96/1151323796.db2.gz ZMRDVUQCAUAYDZ-NEPJUHHUSA-N 1 1 304.369 2.194 20 10 DECDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(F)F ZINC000375751248 337018679 /nfs/dbraw/zinc/01/86/79/337018679.db2.gz YUEVVJAQPNHCIT-LLVKDONJSA-N 1 1 318.751 2.391 20 10 DECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(F)F ZINC000375751248 337018680 /nfs/dbraw/zinc/01/86/80/337018680.db2.gz YUEVVJAQPNHCIT-LLVKDONJSA-N 1 1 318.751 2.391 20 10 DECDMO CC(=O)N1CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835024964 649867990 /nfs/dbraw/zinc/86/79/90/649867990.db2.gz FANIUYQBNHPHQJ-GQCTYLIASA-N 1 1 301.434 2.320 20 10 DECDMO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000835025162 649868107 /nfs/dbraw/zinc/86/81/07/649868107.db2.gz GFVVJLVYVBAJDA-YIEVGGLXSA-N 1 1 322.474 2.132 20 10 DECDMO CN(C)c1ccc(/C=C\C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000835025162 649868110 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CCN1CCN([C@H](C)C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921527732 633611584 /nfs/dbraw/zinc/61/15/84/633611584.db2.gz AKWNYRHBYBQDIQ-MRXNPFEDSA-N 1 1 317.477 2.127 20 10 DECDMO CC(=O)OC[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000894044794 636098120 /nfs/dbraw/zinc/09/81/20/636098120.db2.gz FDNIXGDOFJPVTD-MRVPVSSYSA-N 1 1 302.168 2.196 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000840941020 634963017 /nfs/dbraw/zinc/96/30/17/634963017.db2.gz NBYVDFCDONXPTQ-YJBOKZPZSA-N 1 1 304.434 2.441 20 10 DECDMO CN(C)C(=O)[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000840957969 635730390 /nfs/dbraw/zinc/73/03/90/635730390.db2.gz NNIGUWCLIQZRHL-SQRWCISFSA-N 1 1 301.434 2.176 20 10 DECDMO CC[N@H+](Cc1ccc(OC)c(OC)c1O)C[C@@H](O)C(F)(F)F ZINC000893702272 635923733 /nfs/dbraw/zinc/92/37/33/635923733.db2.gz BDFUUPHURHSFOD-LLVKDONJSA-N 1 1 323.311 2.155 20 10 DECDMO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2c2nncn2C)c1O ZINC000894075968 636106937 /nfs/dbraw/zinc/10/69/37/636106937.db2.gz MMMINKSCPRWRRJ-ZDUSSCGKSA-N 1 1 302.378 2.175 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2c2nncn2C)c1O ZINC000894075968 636106939 /nfs/dbraw/zinc/10/69/39/636106939.db2.gz MMMINKSCPRWRRJ-ZDUSSCGKSA-N 1 1 302.378 2.175 20 10 DECDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCF)cc1 ZINC001028344809 636141029 /nfs/dbraw/zinc/14/10/29/636141029.db2.gz OWDHYORXFNZMAS-ZDUSSCGKSA-N 1 1 321.356 2.013 20 10 DECDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCF)cc1 ZINC001028344809 636141032 /nfs/dbraw/zinc/14/10/32/636141032.db2.gz OWDHYORXFNZMAS-ZDUSSCGKSA-N 1 1 321.356 2.013 20 10 DECDMO COc1ccc(C[N@@H+](C)Cc2cnn(C)c2C)c(O)c1OC ZINC000894125165 636251432 /nfs/dbraw/zinc/25/14/32/636251432.db2.gz QUDSBKVQOPPXKJ-UHFFFAOYSA-N 1 1 305.378 2.083 20 10 DECDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC1CC2(C1)OCCO2 ZINC000922799615 636411930 /nfs/dbraw/zinc/41/19/30/636411930.db2.gz MNNUPQFFJSAMKJ-UHFFFAOYSA-N 1 1 301.745 2.427 20 10 DECDMO C[N@@H+](CCNC(=O)Cc1ccc(N)cc1)Cc1ccc(F)cc1 ZINC000237143356 636991191 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ZINC000840941140 650390491 /nfs/dbraw/zinc/39/04/91/650390491.db2.gz SYNNROPJXDMUIT-UHFFFAOYSA-N 1 1 316.449 2.443 20 10 DECDMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c(O)c1OC ZINC000895634438 638116131 /nfs/dbraw/zinc/11/61/31/638116131.db2.gz FHUJYTRSQIDLHY-SUMWQHHRSA-N 1 1 307.390 2.004 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000895835166 638225747 /nfs/dbraw/zinc/22/57/47/638225747.db2.gz ADJBJEBHIKIRHA-ZDUSSCGKSA-N 1 1 305.296 2.148 20 10 DECDMO COc1c(O)c(C[N@@H+]2CC(C)(C)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000895922495 638268410 /nfs/dbraw/zinc/26/84/10/638268410.db2.gz JVZKQUXKZVBAJW-LBPRGKRZSA-N 1 1 324.377 2.292 20 10 DECDMO COc1c(O)c(C[N@H+]2CC(C)(C)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000895922495 638268412 /nfs/dbraw/zinc/26/84/12/638268412.db2.gz JVZKQUXKZVBAJW-LBPRGKRZSA-N 1 1 324.377 2.292 20 10 DECDMO COc1c(O)c(C[NH2+]Cc2cc(C)cc(N)c2)ccc1[N+](=O)[O-] ZINC000841070402 650422121 /nfs/dbraw/zinc/42/21/21/650422121.db2.gz CSSVDUQWZILGLX-UHFFFAOYSA-N 1 1 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20 10 DECDMO COc1ccc(O)c(CNc2nc(N3CCCC3)cc[nH+]2)c1 ZINC000811805549 646579612 /nfs/dbraw/zinc/57/96/12/646579612.db2.gz WMRFBRRQUIGWAO-UHFFFAOYSA-N 1 1 300.362 2.403 20 10 DECDMO Cc1cc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)ccc1N(C)C ZINC000815070229 646962891 /nfs/dbraw/zinc/96/28/91/646962891.db2.gz NAIBCIFNYVIHEF-INIZCTEOSA-N 1 1 322.474 2.213 20 10 DECDMO Cc1cc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)ccc1N(C)C ZINC000815070229 646962900 /nfs/dbraw/zinc/96/29/00/646962900.db2.gz NAIBCIFNYVIHEF-INIZCTEOSA-N 1 1 322.474 2.213 20 10 DECDMO Cc1cc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)ccc1N(C)C ZINC000815077901 646963871 /nfs/dbraw/zinc/96/38/71/646963871.db2.gz IDWGYAIAADYZSG-HNNXBMFYSA-N 1 1 303.406 2.088 20 10 DECDMO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2CC(C)C)ccc1N(C)C ZINC000815099675 646968211 /nfs/dbraw/zinc/96/82/11/646968211.db2.gz XXPOKTMVYRPTJW-QGZVFWFLSA-N 1 1 303.450 2.408 20 10 DECDMO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2CC(C)C)ccc1N(C)C ZINC000815099675 646968213 /nfs/dbraw/zinc/96/82/13/646968213.db2.gz XXPOKTMVYRPTJW-QGZVFWFLSA-N 1 1 303.450 2.408 20 10 DECDMO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000815159333 646982881 /nfs/dbraw/zinc/98/28/81/646982881.db2.gz QMNQQACLLUHGKC-QFBILLFUSA-N 1 1 317.477 2.079 20 10 DECDMO COC[C@@H](CCO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815582619 647032791 /nfs/dbraw/zinc/03/27/91/647032791.db2.gz LHJJNSKYQYMFJF-NXEZZACHSA-N 1 1 307.312 2.459 20 10 DECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCOC1 ZINC000151899988 647045236 /nfs/dbraw/zinc/04/52/36/647045236.db2.gz NGVGRWPYXGXTGS-KRWDZBQOSA-N 1 1 304.434 2.382 20 10 DECDMO C[C@@H](CNC(=O)NCc1c(O)cccc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000914074370 647145911 /nfs/dbraw/zinc/14/59/11/647145911.db2.gz DCGFYNFJEZBEAD-OLZOCXBDSA-N 1 1 323.412 2.451 20 10 DECDMO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816568018 647153408 /nfs/dbraw/zinc/15/34/08/647153408.db2.gz UBJLTMNVKMFTTB-JTQLQIEISA-N 1 1 321.801 2.242 20 10 DECDMO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@H](CO)OC(C)(C)C2)cc1 ZINC000817412893 647289294 /nfs/dbraw/zinc/28/92/94/647289294.db2.gz QGSIUHKZZLWTFB-KEGWNNHHSA-N 1 1 304.434 2.238 20 10 DECDMO CN(C)c1ccc(/C=C\C[N@H+]2C[C@H](CO)OC(C)(C)C2)cc1 ZINC000817412893 647289298 /nfs/dbraw/zinc/28/92/98/647289298.db2.gz QGSIUHKZZLWTFB-KEGWNNHHSA-N 1 1 304.434 2.238 20 10 DECDMO CN(C)c1ccc(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000915927415 647819006 /nfs/dbraw/zinc/81/90/06/647819006.db2.gz LZDZATPVDYBTTQ-RDJZCZTQSA-N 1 1 316.449 2.179 20 10 DECDMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC000994496193 647970525 /nfs/dbraw/zinc/97/05/25/647970525.db2.gz OVGLSVNMHDMOMF-FZMZJTMJSA-N 1 1 317.393 2.452 20 10 DECDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000154421713 648007448 /nfs/dbraw/zinc/00/74/48/648007448.db2.gz BYVRPOKOMHSKHY-KRWDZBQOSA-N 1 1 304.434 2.259 20 10 DECDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+]1C ZINC000821529674 648078180 /nfs/dbraw/zinc/07/81/80/648078180.db2.gz YKEMPPXANCVVIY-MNOVXSKESA-N 1 1 303.366 2.014 20 10 DECDMO C[C@@H]1[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1C ZINC000821529674 648078184 /nfs/dbraw/zinc/07/81/84/648078184.db2.gz YKEMPPXANCVVIY-MNOVXSKESA-N 1 1 303.366 2.014 20 10 DECDMO CCOc1cccc(C[NH+]2CCN(C(C)(C)COC)CC2)c1O ZINC000822497931 648219486 /nfs/dbraw/zinc/21/94/86/648219486.db2.gz OOYRYHUPKFXZPL-UHFFFAOYSA-N 1 1 322.449 2.334 20 10 DECDMO CCNC(=O)C[N@@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000921029275 648268670 /nfs/dbraw/zinc/26/86/70/648268670.db2.gz QAPLZABGCHLLCI-UHFFFAOYSA-N 1 1 302.374 2.122 20 10 DECDMO C[C@@H]1[C@@H](NC(=O)NCCCSc2nccs2)CC[N@H+]1C ZINC000921447742 648318874 /nfs/dbraw/zinc/31/88/74/648318874.db2.gz RJGRRIFVPZRPQW-MNOVXSKESA-N 1 1 314.480 2.017 20 10 DECDMO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](OC)C1CC1 ZINC000823576043 648445534 /nfs/dbraw/zinc/44/55/34/648445534.db2.gz HGEIFUGXAMRGNQ-MRXNPFEDSA-N 1 1 307.390 2.182 20 10 DECDMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](OC)C1CC1 ZINC000823576043 648445536 /nfs/dbraw/zinc/44/55/36/648445536.db2.gz HGEIFUGXAMRGNQ-MRXNPFEDSA-N 1 1 307.390 2.182 20 10 DECDMO COc1cc(Br)cc(C[N@H+]2CC[C@@](C)(O)C2)c1O ZINC000180185875 648470097 /nfs/dbraw/zinc/47/00/97/648470097.db2.gz UEKOBQHBLMMHSI-CYBMUJFWSA-N 1 1 316.195 2.120 20 10 DECDMO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccco1 ZINC000180595094 648501848 /nfs/dbraw/zinc/50/18/48/648501848.db2.gz RBCVPSHIDQMXAS-STMXVASLSA-N 1 1 316.357 2.123 20 10 DECDMO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000824696966 648637589 /nfs/dbraw/zinc/63/75/89/648637589.db2.gz WCBDHOXRXIGTRV-HNNXBMFYSA-N 1 1 305.466 2.078 20 10 DECDMO COCCN(C)CCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825108626 648704781 /nfs/dbraw/zinc/70/47/81/648704781.db2.gz XLAYBTSADKEROP-UHFFFAOYSA-N 1 1 300.830 2.412 20 10 DECDMO COc1cc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000825651717 648793712 /nfs/dbraw/zinc/79/37/12/648793712.db2.gz KFWCXYSOJPXGHL-SWLSCSKDSA-N 1 1 323.433 2.280 20 10 DECDMO COc1cc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000825651717 648793716 /nfs/dbraw/zinc/79/37/16/648793716.db2.gz KFWCXYSOJPXGHL-SWLSCSKDSA-N 1 1 323.433 2.280 20 10 DECDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827132413 648978902 /nfs/dbraw/zinc/97/89/02/648978902.db2.gz MHPYBWLPGWYPBC-SMDDNHRTSA-N 1 1 308.809 2.455 20 10 DECDMO COC(=O)N(C)CC[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000827346792 649019463 /nfs/dbraw/zinc/01/94/63/649019463.db2.gz LNVCGVKDFHQNTF-SREVYHEPSA-N 1 1 305.422 2.396 20 10 DECDMO Oc1cccc2c1[C@H]([NH2+]C1CCN([C@@H]3CCC[C@H]3O)CC1)CC2 ZINC000834685367 649830694 /nfs/dbraw/zinc/83/06/94/649830694.db2.gz RVGRVUHXSHJEBU-BRWVUGGUSA-N 1 1 316.445 2.347 20 10 DECDMO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000844981171 651190139 /nfs/dbraw/zinc/19/01/39/651190139.db2.gz RLOQXFVFICHAEI-GFCCVEGCSA-N 1 1 309.797 2.082 20 10 DECDMO COc1cccc([C@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)c1O ZINC000846162815 651312090 /nfs/dbraw/zinc/31/20/90/651312090.db2.gz FKSJLOGXVYLFEP-CABCVRRESA-N 1 1 321.465 2.077 20 10 DECDMO CC[N@@H+](C)C[C@@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000846765954 651350327 /nfs/dbraw/zinc/35/03/27/651350327.db2.gz GIXJOJMRCKHAPB-LJQANCHMSA-N 1 1 319.493 2.421 20 10 DECDMO CCN(C)C[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000846765954 651350328 /nfs/dbraw/zinc/35/03/28/651350328.db2.gz GIXJOJMRCKHAPB-LJQANCHMSA-N 1 1 319.493 2.421 20 10 DECDMO CCN(C)C[C@@H](O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000846765954 651350330 /nfs/dbraw/zinc/35/03/30/651350330.db2.gz GIXJOJMRCKHAPB-LJQANCHMSA-N 1 1 319.493 2.421 20 10 DECDMO CCN(CC)c1ccc(C[N@@H+](C)CC[C@H]2CCNC2=O)cc1 ZINC000846766792 651350393 /nfs/dbraw/zinc/35/03/93/651350393.db2.gz WUOVVQLWUFIDBM-MRXNPFEDSA-N 1 1 303.450 2.491 20 10 DECDMO CC[N@@H+](C)C[C@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000846776555 651350859 /nfs/dbraw/zinc/35/08/59/651350859.db2.gz REVJTBXIDRUHBO-SFHVURJKSA-N 1 1 305.466 2.030 20 10 DECDMO CCN(C)C[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000846776555 651350860 /nfs/dbraw/zinc/35/08/60/651350860.db2.gz REVJTBXIDRUHBO-SFHVURJKSA-N 1 1 305.466 2.030 20 10 DECDMO CCN(C)C[C@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000846776555 651350861 /nfs/dbraw/zinc/35/08/61/651350861.db2.gz REVJTBXIDRUHBO-SFHVURJKSA-N 1 1 305.466 2.030 20 10 DECDMO O=C(NCc1ccccc1O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847303609 651387926 /nfs/dbraw/zinc/38/79/26/651387926.db2.gz XTCTUYUXWWNXOR-CABCVRRESA-N 1 1 303.406 2.208 20 10 DECDMO COc1ccc(C[NH2+]Cc2nnc([C@H]3CCCO3)[n-]2)cc1C ZINC000848562480 651471225 /nfs/dbraw/zinc/47/12/25/651471225.db2.gz KIUUSKATTNRXLK-CQSZACIVSA-N 1 1 302.378 2.263 20 10 DECDMO COc1cc(C[NH2+]Cc2cn(C)nn2)c(O)c(C(C)(C)C)c1 ZINC000850242840 651874363 /nfs/dbraw/zinc/87/43/63/651874363.db2.gz INDVJZDYKXYWTG-UHFFFAOYSA-N 1 1 304.394 2.117 20 10 DECDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(C)ccc1O ZINC000858212549 652280206 /nfs/dbraw/zinc/28/02/06/652280206.db2.gz OVPMZRSKNFCHHP-OAHLLOKOSA-N 1 1 305.422 2.374 20 10 DECDMO Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000858294601 652298578 /nfs/dbraw/zinc/29/85/78/652298578.db2.gz JYTWKARFYOWGQC-HNNXBMFYSA-N 1 1 319.449 2.478 20 10 DECDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000111420743 652570474 /nfs/dbraw/zinc/57/04/74/652570474.db2.gz MXJVMBGIFKFUIL-QGZVFWFLSA-N 1 1 318.465 2.426 20 10 DECDMO CCOc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1O ZINC000092100853 684040947 /nfs/dbraw/zinc/04/09/47/684040947.db2.gz BAXOUJDONRLAEX-AWEZNQCLSA-N 1 1 306.406 2.091 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000093277219 684048728 /nfs/dbraw/zinc/04/87/28/684048728.db2.gz CMLRSMCAKBDLRI-KRWDZBQOSA-N 1 1 301.434 2.339 20 10 DECDMO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000122833466 684119590 /nfs/dbraw/zinc/11/95/90/684119590.db2.gz CWGCXEJXQUEGHD-CABCVRRESA-N 1 1 303.450 2.347 20 10 DECDMO Cc1ccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c(O)c1O ZINC000246475231 685130666 /nfs/dbraw/zinc/13/06/66/685130666.db2.gz OJLSIFWDTLRUPL-DGCLKSJQSA-N 1 1 306.406 2.256 20 10 DECDMO Cn1cc(CC[N@@H+](Cc2ccco2)Cc2ccccc2O)nn1 ZINC000859190687 685676611 /nfs/dbraw/zinc/67/66/11/685676611.db2.gz NTHMVUSJUFKCDV-UHFFFAOYSA-N 1 1 312.373 2.359 20 10 DECDMO Cc1cc(C[N@H+]2CCC[C@H]2C(N)=O)ccc1N1CCCCC1 ZINC000859663638 685788536 /nfs/dbraw/zinc/78/85/36/685788536.db2.gz QSUKPZPDHIBGAK-KRWDZBQOSA-N 1 1 301.434 2.435 20 10 DECDMO CCN(C)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000859878617 685846479 /nfs/dbraw/zinc/84/64/79/685846479.db2.gz XFLDSDHXIUWSOM-SJORKVTESA-N 1 1 322.474 2.294 20 10 DECDMO CCN(C)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000859878617 685846483 /nfs/dbraw/zinc/84/64/83/685846483.db2.gz XFLDSDHXIUWSOM-SJORKVTESA-N 1 1 322.474 2.294 20 10 DECDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](CC(N)=O)C2)cc1F ZINC000862250512 686265539 /nfs/dbraw/zinc/26/55/39/686265539.db2.gz POGQKRBINJXTCY-NSHDSACASA-N 1 1 311.376 2.118 20 10 DECDMO Cc1ncc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000862271849 686270499 /nfs/dbraw/zinc/27/04/99/686270499.db2.gz DSYXQIMTVHCSHY-UHFFFAOYSA-N 1 1 305.353 2.249 20 10 DECDMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)[C@@H]1CO ZINC000862336402 686278662 /nfs/dbraw/zinc/27/86/62/686278662.db2.gz DGAABANEGYHVRS-BXKDBHETSA-N 1 1 300.196 2.357 20 10 DECDMO C[N@H+]1C[C@@H]2CCN(Cc3c(O)cccc3Br)[C@@H]2C1 ZINC000862372763 686284788 /nfs/dbraw/zinc/28/47/88/686284788.db2.gz AFEJPMYHKNKNGR-GXFFZTMASA-N 1 1 311.223 2.291 20 10 DECDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1F ZINC000862407519 686294759 /nfs/dbraw/zinc/29/47/59/686294759.db2.gz HEIQGFLRSAXWKU-LBPRGKRZSA-N 1 1 321.375 2.144 20 10 DECDMO COc1cccc(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1O ZINC000863646836 686540112 /nfs/dbraw/zinc/54/01/12/686540112.db2.gz PXEZNSSDVUHWFQ-VXGBXAGGSA-N 1 1 318.339 2.360 20 10 DECDMO CN1CCN(c2ccc(C[NH2+]Cc3ccnc(F)c3)cc2)CC1 ZINC000865723517 687313933 /nfs/dbraw/zinc/31/39/33/687313933.db2.gz ZCJBPQWANFROGR-UHFFFAOYSA-N 1 1 314.408 2.262 20 10 DECDMO CN(C)c1ccc(CNc2cc3n(n2)CC[N@@H+](C)C3)cc1F ZINC000865845050 687353106 /nfs/dbraw/zinc/35/31/06/687353106.db2.gz NIFRKUXUBXKWPP-UHFFFAOYSA-N 1 1 303.385 2.146 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1 ZINC000866462909 687581854 /nfs/dbraw/zinc/58/18/54/687581854.db2.gz CXQJWWSIDMKBAU-SXMVTHIZSA-N 1 1 321.295 2.141 20 10 DECDMO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1O ZINC000868282461 687968786 /nfs/dbraw/zinc/96/87/86/687968786.db2.gz BWBCQFXCAJHUSI-GXTWGEPZSA-N 1 1 303.406 2.237 20 10 DECDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCc1ccccc1O ZINC000869104128 688217647 /nfs/dbraw/zinc/21/76/47/688217647.db2.gz AQWNPYQYWHZHCL-INIZCTEOSA-N 1 1 311.385 2.378 20 10 DECDMO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCc1ccccc1O ZINC000869104128 688217651 /nfs/dbraw/zinc/21/76/51/688217651.db2.gz AQWNPYQYWHZHCL-INIZCTEOSA-N 1 1 311.385 2.378 20 10 DECDMO CC[N@H+]1CCCN(Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000930711901 694223653 /nfs/dbraw/zinc/22/36/53/694223653.db2.gz OYFQYGAGUOGKMU-QGZVFWFLSA-N 1 1 317.477 2.439 20 10 DECDMO CCN1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000930711901 694223657 /nfs/dbraw/zinc/22/36/57/694223657.db2.gz OYFQYGAGUOGKMU-QGZVFWFLSA-N 1 1 317.477 2.439 20 10 DECDMO CCN1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000930711901 694223661 /nfs/dbraw/zinc/22/36/61/694223661.db2.gz OYFQYGAGUOGKMU-QGZVFWFLSA-N 1 1 317.477 2.439 20 10 DECDMO COc1ccc(C[NH2+][C@@H]2CCn3ccnc32)cc1Cn1cccn1 ZINC000873129768 689165129 /nfs/dbraw/zinc/16/51/29/689165129.db2.gz SUACDKHIJZJNSW-MRXNPFEDSA-N 1 1 323.400 2.371 20 10 DECDMO CCCOc1ccc(C[NH2+][C@H](CO)c2ccnn2C)cc1C ZINC000873131005 689165836 /nfs/dbraw/zinc/16/58/36/689165836.db2.gz OCHAHLBCWFXXNH-OAHLLOKOSA-N 1 1 303.406 2.341 20 10 DECDMO COc1ccc(C[NH2+]C2CC(N(C)C)C2)cc1Cn1cccn1 ZINC000873134025 689166568 /nfs/dbraw/zinc/16/65/68/689166568.db2.gz MKLXPZRYVDIKCL-UHFFFAOYSA-N 1 1 314.433 2.122 20 10 DECDMO CCC[N@H+](Cc1ccc(C)cc1O)[C@@H](COC)C(=O)OCC ZINC000877472736 690123688 /nfs/dbraw/zinc/12/36/88/690123688.db2.gz ZRPFDEZSMHFXHK-HNNXBMFYSA-N 1 1 309.406 2.491 20 10 DECDMO CCC[N@@H+](Cc1ccc(C)cc1O)[C@@H](COC)C(=O)OCC ZINC000877472736 690123690 /nfs/dbraw/zinc/12/36/90/690123690.db2.gz ZRPFDEZSMHFXHK-HNNXBMFYSA-N 1 1 309.406 2.491 20 10 DECDMO COc1c[nH+]ccc1N1CCN(Cc2ccc(C)cc2O)CC1 ZINC000877492860 690130495 /nfs/dbraw/zinc/13/04/95/690130495.db2.gz VGJSXRPEBWHDPZ-UHFFFAOYSA-N 1 1 313.401 2.426 20 10 DECDMO CC(C)[N@@H+](C)C[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877539682 690145844 /nfs/dbraw/zinc/14/58/44/690145844.db2.gz QZQPFTVRWAAMPB-MRXNPFEDSA-N 1 1 319.493 2.466 20 10 DECDMO CC(C)[N@H+](C)C[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877539682 690145848 /nfs/dbraw/zinc/14/58/48/690145848.db2.gz QZQPFTVRWAAMPB-MRXNPFEDSA-N 1 1 319.493 2.466 20 10 DECDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877630542 690173318 /nfs/dbraw/zinc/17/33/18/690173318.db2.gz GSELUSIUZHNYJT-QFBILLFUSA-N 1 1 316.445 2.116 20 10 DECDMO Cc1ccc(C[N@@H+](CCN2CCOCC2)CC2CC2)c(O)c1 ZINC000877636058 690174198 /nfs/dbraw/zinc/17/41/98/690174198.db2.gz LGQYUZNGCOAJLA-UHFFFAOYSA-N 1 1 304.434 2.245 20 10 DECDMO CCC[N@@H+]1CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877635751 690174548 /nfs/dbraw/zinc/17/45/48/690174548.db2.gz CUSRSXHWFCYYRV-QGZVFWFLSA-N 1 1 317.477 2.222 20 10 DECDMO CCC[N@H+]1CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877635751 690174551 /nfs/dbraw/zinc/17/45/51/690174551.db2.gz CUSRSXHWFCYYRV-QGZVFWFLSA-N 1 1 317.477 2.222 20 10 DECDMO CC[C@]1(O)CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000877692511 690192875 /nfs/dbraw/zinc/19/28/75/690192875.db2.gz GCUOBIURDRLJKQ-SFHVURJKSA-N 1 1 304.434 2.260 20 10 DECDMO CC(C)[C@@H](O)CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000877923786 690261060 /nfs/dbraw/zinc/26/10/60/690261060.db2.gz WMSCKJHDCDJPJV-SFHVURJKSA-N 1 1 306.450 2.362 20 10 DECDMO Cc1cc(C[N@@H+]2CCN(C)C[C@H]2CO)ccc1N1CCCCC1 ZINC000879001326 690546204 /nfs/dbraw/zinc/54/62/04/690546204.db2.gz UPKRRUNUVCLCPM-SFHVURJKSA-N 1 1 317.477 2.094 20 10 DECDMO Cc1cc(CN2CC[N@@H+](C)C[C@H]2CO)ccc1N1CCCCC1 ZINC000879001326 690546207 /nfs/dbraw/zinc/54/62/07/690546207.db2.gz UPKRRUNUVCLCPM-SFHVURJKSA-N 1 1 317.477 2.094 20 10 DECDMO Cc1cc(CN2CC[N@H+](C)C[C@H]2CO)ccc1N1CCCCC1 ZINC000879001326 690546210 /nfs/dbraw/zinc/54/62/10/690546210.db2.gz UPKRRUNUVCLCPM-SFHVURJKSA-N 1 1 317.477 2.094 20 10 DECDMO CCN(C)c1ccc(C[N@@H+]2C[C@@H](OC)C[C@@]2(C)C(=O)OC)cc1 ZINC000879153526 690580065 /nfs/dbraw/zinc/58/00/65/690580065.db2.gz GXJFCHXPFDCJHH-WMZOPIPTSA-N 1 1 320.433 2.295 20 10 DECDMO CCN(C)c1ccc(C[N@H+]2C[C@@H](OC)C[C@@]2(C)C(=O)OC)cc1 ZINC000879153526 690580068 /nfs/dbraw/zinc/58/00/68/690580068.db2.gz GXJFCHXPFDCJHH-WMZOPIPTSA-N 1 1 320.433 2.295 20 10 DECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](CF)C2)cc1 ZINC000880234663 690846110 /nfs/dbraw/zinc/84/61/10/690846110.db2.gz KOQSISOVNQAZLQ-INIZCTEOSA-N 1 1 321.440 2.393 20 10 DECDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C(=O)NCc1ccco1 ZINC000882992643 691405233 /nfs/dbraw/zinc/40/52/33/691405233.db2.gz ARVXDORAGDLWGU-VIFPVBQESA-N 1 1 310.300 2.058 20 10 DECDMO COc1ccc(N2CCC(N[C@@H]3CC[NH2+]C3(C)C)CC2)cc1 ZINC000925563672 693298112 /nfs/dbraw/zinc/29/81/12/693298112.db2.gz DIZUXKQDVYJHHB-QGZVFWFLSA-N 1 1 303.450 2.394 20 10 DECDMO C[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000925790909 693342462 /nfs/dbraw/zinc/34/24/62/693342462.db2.gz NASQESSPMQIINP-FMKPAKJESA-N 1 1 321.440 2.168 20 10 DECDMO COc1ccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)c(O)c1OC ZINC001334126536 1150204175 /nfs/dbraw/zinc/20/41/75/1150204175.db2.gz RIAFEYJDCODCFD-CYBMUJFWSA-N 1 1 323.389 2.137 20 10 DECDMO CC[N@H+]1CCC2(CN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001073474221 790677962 /nfs/dbraw/zinc/67/79/62/790677962.db2.gz ZZMIIGHQONFXST-UHFFFAOYSA-N 1 1 315.377 2.017 20 10 DECDMO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1c(O)cc(O)cc1O ZINC001144499544 790934365 /nfs/dbraw/zinc/93/43/65/790934365.db2.gz IBPFFNHJQWZMGP-UHFFFAOYSA-N 1 1 317.341 2.207 20 10 DECDMO CCOC(=O)C[N@@H+](Cc1c(O)cc(O)cc1O)C1CCCC1 ZINC001144515867 790943172 /nfs/dbraw/zinc/94/31/72/790943172.db2.gz HIJWWOQLISAJRD-UHFFFAOYSA-N 1 1 309.362 2.111 20 10 DECDMO CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968685588 784540819 /nfs/dbraw/zinc/54/08/19/784540819.db2.gz VYFMXLVWYDICKV-BXUZGUMPSA-N 1 1 317.393 2.309 20 10 DECDMO CC(C)OC1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001333796411 1150092125 /nfs/dbraw/zinc/09/21/25/1150092125.db2.gz UOJUYRFLGWBSAI-UHFFFAOYSA-N 1 1 321.440 2.187 20 10 DECDMO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(F)c(F)cc2O)C1 ZINC001182872873 795770719 /nfs/dbraw/zinc/77/07/19/795770719.db2.gz GYXOAHPFWBOMQY-MKXJDEKUSA-N 1 1 303.374 2.450 20 10 DECDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C2OCCO2)c1O ZINC001184314166 796032234 /nfs/dbraw/zinc/03/22/34/796032234.db2.gz GWPISAUAFNZOKN-LBPRGKRZSA-N 1 1 313.781 2.392 20 10 DECDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C2OCCO2)c1O ZINC001184314166 796032241 /nfs/dbraw/zinc/03/22/41/796032241.db2.gz GWPISAUAFNZOKN-LBPRGKRZSA-N 1 1 313.781 2.392 20 10 DECDMO O=C1N(c2ccccc2)CC12C[NH+](Cc1cccc(F)c1O)C2 ZINC001138127472 796167932 /nfs/dbraw/zinc/16/79/32/796167932.db2.gz FBFXHJVKTFDRPS-UHFFFAOYSA-N 1 1 312.344 2.380 20 10 DECDMO Oc1c(F)cccc1C[NH+]1CCC(Oc2ccncn2)CC1 ZINC001138131262 796168718 /nfs/dbraw/zinc/16/87/18/796168718.db2.gz ULNMESVXPXEKDV-UHFFFAOYSA-N 1 1 303.337 2.365 20 10 DECDMO Cc1c(C[NH+]2CCC(S(C)(=O)=O)CC2)c2ccccc2n1C ZINC001138256703 796188143 /nfs/dbraw/zinc/18/81/43/796188143.db2.gz HKFSJBMJYRCZQW-UHFFFAOYSA-N 1 1 320.458 2.496 20 10 DECDMO Cc1c(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)c2ccccc2n1C ZINC001138252339 796188561 /nfs/dbraw/zinc/18/85/61/796188561.db2.gz CMTDVODIUMYOBQ-CQSZACIVSA-N 1 1 304.434 2.440 20 10 DECDMO CN1CC[C@@H]([N@@H+](C)Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337030 796199416 /nfs/dbraw/zinc/19/94/16/796199416.db2.gz JBUJQPMBUIYQCS-MRXNPFEDSA-N 1 1 315.461 2.227 20 10 DECDMO CN(Cc1cc2c3c(c1O)CCCN3CCC2)[C@@H]1CC[N@H+](C)C1 ZINC001138337030 796199419 /nfs/dbraw/zinc/19/94/19/796199419.db2.gz JBUJQPMBUIYQCS-MRXNPFEDSA-N 1 1 315.461 2.227 20 10 DECDMO CN(Cc1cc2c3c(c1O)CCCN3CCC2)[C@@H]1CC[N@@H+](C)C1 ZINC001138337030 796199421 /nfs/dbraw/zinc/19/94/21/796199421.db2.gz JBUJQPMBUIYQCS-MRXNPFEDSA-N 1 1 315.461 2.227 20 10 DECDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@](F)(CO)C2)c(OC)c1 ZINC001138386697 796209049 /nfs/dbraw/zinc/20/90/49/796209049.db2.gz TWIQVEDXPUDMIK-QGZVFWFLSA-N 1 1 310.413 2.448 20 10 DECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@](F)(CO)C2)c(OC)c1 ZINC001138386697 796209053 /nfs/dbraw/zinc/20/90/53/796209053.db2.gz TWIQVEDXPUDMIK-QGZVFWFLSA-N 1 1 310.413 2.448 20 10 DECDMO Cc1[nH+]cc2n1CCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC001138496986 796226875 /nfs/dbraw/zinc/22/68/75/796226875.db2.gz WOKATTHICSYERF-UHFFFAOYSA-N 1 1 312.417 2.044 20 10 DECDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCC[C@H]1O ZINC001138496466 796227151 /nfs/dbraw/zinc/22/71/51/796227151.db2.gz QMRRABPIDYAAGH-CRAIPNDOSA-N 1 1 304.434 2.116 20 10 DECDMO O=C1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]12 ZINC001138501371 796228353 /nfs/dbraw/zinc/22/83/53/796228353.db2.gz RQANNIGWJSWWQC-AEFFLSMTSA-N 1 1 314.429 2.324 20 10 DECDMO CCOC(=O)c1n[nH]cc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001138856938 796293981 /nfs/dbraw/zinc/29/39/81/796293981.db2.gz FVCMWECBHAUUQC-UHFFFAOYSA-N 1 1 316.405 2.284 20 10 DECDMO CCOC(=O)c1n[nH]cc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001138856938 796293988 /nfs/dbraw/zinc/29/39/88/796293988.db2.gz FVCMWECBHAUUQC-UHFFFAOYSA-N 1 1 316.405 2.284 20 10 DECDMO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)c(O)c1 ZINC001203628492 796327582 /nfs/dbraw/zinc/32/75/82/796327582.db2.gz ATQVHMTXNFVGGA-QGZVFWFLSA-N 1 1 300.358 2.369 20 10 DECDMO COc1ccc(C[N@H+]2CCO[C@@H](c3ccccn3)C2)c(O)c1 ZINC001203628492 796327590 /nfs/dbraw/zinc/32/75/90/796327590.db2.gz ATQVHMTXNFVGGA-QGZVFWFLSA-N 1 1 300.358 2.369 20 10 DECDMO CC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139132934 796330336 /nfs/dbraw/zinc/33/03/36/796330336.db2.gz CRSODJANESRDCJ-LBPRGKRZSA-N 1 1 301.342 2.218 20 10 DECDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001140060063 796471915 /nfs/dbraw/zinc/47/19/15/796471915.db2.gz JNAJLJSXDBKTHH-AWEZNQCLSA-N 1 1 303.337 2.365 20 10 DECDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@]1(C)O ZINC001140282695 796501595 /nfs/dbraw/zinc/50/15/95/796501595.db2.gz HQZSTLRKSAOORC-BEFAXECRSA-N 1 1 318.461 2.241 20 10 DECDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC1=O ZINC001140282911 796502059 /nfs/dbraw/zinc/50/20/59/796502059.db2.gz KHOSHSXAUGMBBO-CQSZACIVSA-N 1 1 302.418 2.059 20 10 DECDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC1=O ZINC001140282911 796502062 /nfs/dbraw/zinc/50/20/62/796502062.db2.gz KHOSHSXAUGMBBO-CQSZACIVSA-N 1 1 302.418 2.059 20 10 DECDMO CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3C(C)=O)cc2)CC1 ZINC001140309365 796505385 /nfs/dbraw/zinc/50/53/85/796505385.db2.gz CVCPDAYAJDXGNX-IBGZPJMESA-N 1 1 315.461 2.382 20 10 DECDMO CC[NH+]1CCN(c2ccc(CN3CCC[C@H]3C(C)=O)cc2)CC1 ZINC001140309365 796505387 /nfs/dbraw/zinc/50/53/87/796505387.db2.gz CVCPDAYAJDXGNX-IBGZPJMESA-N 1 1 315.461 2.382 20 10 DECDMO Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3O)CC2)ncn1 ZINC001140464139 796526142 /nfs/dbraw/zinc/52/61/42/796526142.db2.gz DCKWSZYKGYUSLM-UHFFFAOYSA-N 1 1 318.808 2.466 20 10 DECDMO Oc1cc(Cl)ccc1CN1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001140464946 796526366 /nfs/dbraw/zinc/52/63/66/796526366.db2.gz FOMOGUVWPCMBJD-IYBDPMFKSA-N 1 1 322.836 2.341 20 10 DECDMO Cc1ccc(O)c(C[NH+]2CCN(c3nccnc3Cl)CC2)c1 ZINC001140617087 796545821 /nfs/dbraw/zinc/54/58/21/796545821.db2.gz CXUFRPNLDGOWLQ-UHFFFAOYSA-N 1 1 318.808 2.466 20 10 DECDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@@H]1O ZINC001140660212 796552027 /nfs/dbraw/zinc/55/20/27/796552027.db2.gz JOGRVFNTHVFADQ-KSSFIOAISA-N 1 1 322.424 2.255 20 10 DECDMO OC[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660332 796552092 /nfs/dbraw/zinc/55/20/92/796552092.db2.gz OLXGUEKSAFPNLY-HNNXBMFYSA-N 1 1 322.424 2.257 20 10 DECDMO CCN(CC)c1ccc(C[N@@H+](C)CCC(=O)N(C)C)c(O)c1 ZINC001140855647 796583966 /nfs/dbraw/zinc/58/39/66/796583966.db2.gz GZGDTHWBRRFVID-UHFFFAOYSA-N 1 1 307.438 2.149 20 10 DECDMO Cc1ccc(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c(O)c1 ZINC001140949460 796605839 /nfs/dbraw/zinc/60/58/39/796605839.db2.gz CIMIDAZCLHJMIL-IYBDPMFKSA-N 1 1 310.401 2.059 20 10 DECDMO CCN(C)C(=O)CO[C@H]1CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC001140953521 796606145 /nfs/dbraw/zinc/60/61/45/796606145.db2.gz BBQHGQNYVWDLFC-INIZCTEOSA-N 1 1 320.433 2.160 20 10 DECDMO CN1CCOc2cc(CN3CCC[N@H+]4CCC[C@@H]4C3)ccc21 ZINC001141142936 796638540 /nfs/dbraw/zinc/63/85/40/796638540.db2.gz HCZXNPGOYMVUNU-MRXNPFEDSA-N 1 1 301.434 2.185 20 10 DECDMO CN1CCOc2cc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)ccc21 ZINC001141145674 796639606 /nfs/dbraw/zinc/63/96/06/796639606.db2.gz XTXIJYPGKDXFKF-SFHVURJKSA-N 1 1 301.434 2.043 20 10 DECDMO CN1CCOc2cc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)ccc21 ZINC001141145674 796639608 /nfs/dbraw/zinc/63/96/08/796639608.db2.gz XTXIJYPGKDXFKF-SFHVURJKSA-N 1 1 301.434 2.043 20 10 DECDMO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]21 ZINC001141162680 796643262 /nfs/dbraw/zinc/64/32/62/796643262.db2.gz ZPTVGHBPFKGLIB-OCCSQVGLSA-N 1 1 320.389 2.149 20 10 DECDMO CCN(CC[N@@H+]1CCOC[C@H]1C)c1ccc(OC)c(OC)c1 ZINC001192106667 797319745 /nfs/dbraw/zinc/31/97/45/797319745.db2.gz AHRRQIPKYUJDTA-CQSZACIVSA-N 1 1 308.422 2.251 20 10 DECDMO CCN(CC[N@H+]1CCOC[C@H]1C)c1ccc(OC)c(OC)c1 ZINC001192106667 797319753 /nfs/dbraw/zinc/31/97/53/797319753.db2.gz AHRRQIPKYUJDTA-CQSZACIVSA-N 1 1 308.422 2.251 20 10 DECDMO COc1cc2c(c(OC)c1)N(CC[N@@H+]1CCOC[C@@H]1C)CCC2 ZINC001195181055 797845061 /nfs/dbraw/zinc/84/50/61/797845061.db2.gz VTZAPTVUHZUUMY-AWEZNQCLSA-N 1 1 320.433 2.177 20 10 DECDMO COc1cc2c(c(OC)c1)N(CC[N@H+]1CCOC[C@@H]1C)CCC2 ZINC001195181055 797845067 /nfs/dbraw/zinc/84/50/67/797845067.db2.gz VTZAPTVUHZUUMY-AWEZNQCLSA-N 1 1 320.433 2.177 20 10 DECDMO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC001161161292 798803914 /nfs/dbraw/zinc/80/39/14/798803914.db2.gz QPVXAQXBIUSTPX-UHFFFAOYSA-N 1 1 311.429 2.402 20 10 DECDMO COc1cccc(C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)c1O ZINC001203596578 800086885 /nfs/dbraw/zinc/08/68/85/800086885.db2.gz JKCUCCPAVRSWPW-UHFFFAOYSA-N 1 1 300.358 2.102 20 10 DECDMO Cc1cc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)ncn1 ZINC001203665638 800101888 /nfs/dbraw/zinc/10/18/88/800101888.db2.gz QSIUFPLAIDTVED-UHFFFAOYSA-N 1 1 318.808 2.466 20 10 DECDMO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(c4ncccn4)C[C@H]3C2)cc1 ZINC001203931517 800147837 /nfs/dbraw/zinc/14/78/37/800147837.db2.gz ILULXOIFRCPTHI-CALCHBBNSA-N 1 1 323.444 2.111 20 10 DECDMO COc1ccc(N2CC[NH+](Cc3ccc[nH]3)CC2)c(OC)c1 ZINC001204009678 800158949 /nfs/dbraw/zinc/15/89/49/800158949.db2.gz AWZDLEXVLCLVHN-UHFFFAOYSA-N 1 1 301.390 2.354 20 10 DECDMO CN(C)c1ccc(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c2ccccc21 ZINC001204240253 800192515 /nfs/dbraw/zinc/19/25/15/800192515.db2.gz MJSLIIJSVQAJRU-MAUKXSAKSA-N 1 1 323.440 2.474 20 10 DECDMO Oc1ccc(C[N@H+]2CCCN(Cc3ccncc3)CC2)c(O)c1 ZINC001204273086 800197532 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DECDMO CC(C)c1ccc(O)c(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC001560800132 1075146446 /nfs/dbraw/zinc/14/64/46/1075146446.db2.gz GCLDBOXXCCETEX-HUUCEWRRSA-N 1 1 306.450 2.403 20 10 DECDMO CC(C)c1ccc(O)c(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC001560800132 1075146448 /nfs/dbraw/zinc/14/64/48/1075146448.db2.gz GCLDBOXXCCETEX-HUUCEWRRSA-N 1 1 306.450 2.403 20 10 DECDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](NC(=O)NC)C2)cc1 ZINC001655581909 1080006294 /nfs/dbraw/zinc/00/62/94/1080006294.db2.gz XAZTXNMVFHIKIB-OAHLLOKOSA-N 1 1 304.438 2.036 20 10 DECDMO CS(=O)(=O)C1(C[NH2+]Cc2cc(F)c(F)cc2O)CCCC1 ZINC001658047287 1080193569 /nfs/dbraw/zinc/19/35/69/1080193569.db2.gz QSNQMJPUQIUSJJ-UHFFFAOYSA-N 1 1 319.373 2.117 20 10 DECDMO COc1ccc(C[NH2+]Cc2ccc3cncn3c2)c(O)c1OC ZINC001664962328 1080980683 /nfs/dbraw/zinc/98/06/83/1080980683.db2.gz JRZGXLQNKFLPKT-UHFFFAOYSA-N 1 1 313.357 2.347 20 10 DECDMO Cc1ccnc(NC(=O)CN(C)Cc2cc(F)c(F)cc2[O-])c1 ZINC001665236847 1081003410 /nfs/dbraw/zinc/00/34/10/1081003410.db2.gz 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1084496147 /nfs/dbraw/zinc/49/61/47/1084496147.db2.gz SGPZDTWTNANAMC-OAHLLOKOSA-N 1 1 307.390 2.064 20 10 DECDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCO1 ZINC001235676423 1084496149 /nfs/dbraw/zinc/49/61/49/1084496149.db2.gz SGPZDTWTNANAMC-OAHLLOKOSA-N 1 1 307.390 2.064 20 10 DECDMO CCN(Cc1cc(Br)c(F)cc1O)[C@H]1CC[NH2+]C1 ZINC001235969332 1084575155 /nfs/dbraw/zinc/57/51/55/1084575155.db2.gz BPSGCBDTOHIOJG-JTQLQIEISA-N 1 1 317.202 2.478 20 10 DECDMO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)c(O)c1 ZINC001626080177 1085987584 /nfs/dbraw/zinc/98/75/84/1085987584.db2.gz ZOBSXUXMMOQMPA-CQSZACIVSA-N 1 1 306.406 2.137 20 10 DECDMO CN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(Cl)cc3O)C2)C1=O ZINC001273163569 1087112525 /nfs/dbraw/zinc/11/25/25/1087112525.db2.gz OAJYAXPZAHAIRG-MRXNPFEDSA-N 1 1 322.792 2.017 20 10 DECDMO Oc1cc(O)c(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)c(O)c1 ZINC001275112452 1091559652 /nfs/dbraw/zinc/55/96/52/1091559652.db2.gz DYBWZCJTBZXSLM-BLLLJJGKSA-N 1 1 318.417 2.252 20 10 DECDMO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001275276670 1091647749 /nfs/dbraw/zinc/64/77/49/1091647749.db2.gz OFGXPLMKWYQWSY-CJNGLKHVSA-N 1 1 323.868 2.113 20 10 DECDMO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(Cl)ccc1[O-])C2 ZINC001275276670 1091647755 /nfs/dbraw/zinc/64/77/55/1091647755.db2.gz OFGXPLMKWYQWSY-CJNGLKHVSA-N 1 1 323.868 2.113 20 10 DECDMO C[N@H+]1CCC2(CN(Cc3c(O)cccc3Br)C2)C1 ZINC001275948370 1092365101 /nfs/dbraw/zinc/36/51/01/1092365101.db2.gz ZYWREMJJUYHFEN-UHFFFAOYSA-N 1 1 311.223 2.292 20 10 DECDMO CN(C)c1ccc(CN2CC[C@@]3(CCC[N@H+]3C3CC3)C2=O)cc1 ZINC001274022657 1093769067 /nfs/dbraw/zinc/76/90/67/1093769067.db2.gz KFLJGTJELMTVMY-IBGZPJMESA-N 1 1 313.445 2.482 20 10 DECDMO COc1cc(Cl)cc(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c1O ZINC001274123153 1093808419 /nfs/dbraw/zinc/80/84/19/1093808419.db2.gz YJBFUDKEFPVOBE-MRXNPFEDSA-N 1 1 324.808 2.108 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001236663692 1138392097 /nfs/dbraw/zinc/39/20/97/1138392097.db2.gz OZSMWECYBQSECM-NEPJUHHUSA-N 1 1 318.186 2.368 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001236663692 1138392098 /nfs/dbraw/zinc/39/20/98/1138392098.db2.gz OZSMWECYBQSECM-NEPJUHHUSA-N 1 1 318.186 2.368 20 10 DECDMO CC(C)[N@@H+](CCCO)Cc1cc(O)c(Br)cc1O ZINC001236776209 1138424753 /nfs/dbraw/zinc/42/47/53/1138424753.db2.gz VEKJEWOSPTZNRZ-UHFFFAOYSA-N 1 1 318.211 2.453 20 10 DECDMO COc1cc(O)c(C[N@H+](C)Cc2cc(C)nn2C)cc1OC ZINC001236756704 1138410259 /nfs/dbraw/zinc/41/02/59/1138410259.db2.gz PCRQNJWUWSNSIJ-UHFFFAOYSA-N 1 1 305.378 2.083 20 10 DECDMO COc1cc(O)c(C[N@@H+](C)Cc2cc(C)nn2C)cc1OC ZINC001236756704 1138410271 /nfs/dbraw/zinc/41/02/71/1138410271.db2.gz PCRQNJWUWSNSIJ-UHFFFAOYSA-N 1 1 305.378 2.083 20 10 DECDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)CC12CC2 ZINC001236812632 1138436743 /nfs/dbraw/zinc/43/67/43/1138436743.db2.gz CPBSLXZJGBDQEW-AWEZNQCLSA-N 1 1 305.374 2.094 20 10 DECDMO COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236810495 1138437278 /nfs/dbraw/zinc/43/72/78/1138437278.db2.gz IBVZXYDOJLGUOQ-OLZOCXBDSA-N 1 1 307.390 2.483 20 10 DECDMO COC(=O)[C@H]1C[N@@H+](Cc2c(C)cc(OC)cc2O)CC12CC2 ZINC001236812633 1138437833 /nfs/dbraw/zinc/43/78/33/1138437833.db2.gz CPBSLXZJGBDQEW-CQSZACIVSA-N 1 1 305.374 2.094 20 10 DECDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CCOCC2)cc1Cl ZINC001236925848 1138458417 /nfs/dbraw/zinc/45/84/17/1138458417.db2.gz YMYXHRFYPYRZLF-IUODEOHRSA-N 1 1 310.825 2.132 20 10 DECDMO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001237119377 1138506622 /nfs/dbraw/zinc/50/66/22/1138506622.db2.gz GNIJZHCUXKGGAV-MWLCHTKSSA-N 1 1 309.259 2.196 20 10 DECDMO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001237119377 1138506630 /nfs/dbraw/zinc/50/66/30/1138506630.db2.gz GNIJZHCUXKGGAV-MWLCHTKSSA-N 1 1 309.259 2.196 20 10 DECDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CC[C@H]1O ZINC001237119682 1138507693 /nfs/dbraw/zinc/50/76/93/1138507693.db2.gz JUWKFSLZTBYUPA-MWLCHTKSSA-N 1 1 305.296 2.494 20 10 DECDMO CC1CC([N@@H+](C)Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237204021 1138529463 /nfs/dbraw/zinc/52/94/63/1138529463.db2.gz XJIZLEZVKNPBDB-UHFFFAOYSA-N 1 1 322.474 2.152 20 10 DECDMO COc1cc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c(O)c(OC)c1 ZINC001237677701 1138753380 /nfs/dbraw/zinc/75/33/80/1138753380.db2.gz HFADJMROSYTARV-PYHGIMPFSA-N 1 1 305.374 2.019 20 10 DECDMO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001319717170 1140685349 /nfs/dbraw/zinc/68/53/49/1140685349.db2.gz WCCKTWFEHVOCLM-KRWDZBQOSA-N 1 1 301.434 2.243 20 10 DECDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001319717170 1140685365 /nfs/dbraw/zinc/68/53/65/1140685365.db2.gz WCCKTWFEHVOCLM-KRWDZBQOSA-N 1 1 301.434 2.243 20 10 DECDMO COC[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249259364 1141865338 /nfs/dbraw/zinc/86/53/38/1141865338.db2.gz UTDQWJFTYKKRQY-CQSZACIVSA-N 1 1 319.401 2.424 20 10 DECDMO COC[C@@H]1COCC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249259364 1141865341 /nfs/dbraw/zinc/86/53/41/1141865341.db2.gz UTDQWJFTYKKRQY-CQSZACIVSA-N 1 1 319.401 2.424 20 10 DECDMO CC[N@H+](Cc1ccccc1O)C[C@@H](O)COCc1ccco1 ZINC001252640903 1142801290 /nfs/dbraw/zinc/80/12/90/1142801290.db2.gz XZFGTRWXORFJKY-OAHLLOKOSA-N 1 1 305.374 2.385 20 10 DECDMO Nc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cc1 ZINC001262487783 1144315835 /nfs/dbraw/zinc/31/58/35/1144315835.db2.gz FTUOVNRKOPRLBW-IBGZPJMESA-N 1 1 321.424 2.474 20 10 DECDMO Nc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cc1 ZINC001262487783 1144315838 /nfs/dbraw/zinc/31/58/38/1144315838.db2.gz FTUOVNRKOPRLBW-IBGZPJMESA-N 1 1 321.424 2.474 20 10 DECDMO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001308571189 1147480451 /nfs/dbraw/zinc/48/04/51/1147480451.db2.gz RZWOBIDKQXDKEI-ZDUSSCGKSA-N 1 1 322.405 2.420 20 10 DECDMO CN(C)c1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371466933 529780447 /nfs/dbraw/zinc/78/04/47/529780447.db2.gz UFLAFJBWXRICJS-IPMKNSEASA-N 1 1 317.477 2.436 20 10 DECDMO COc1ccc(N2CC[NH+](Cc3ccc(OC)nc3)CC2)cc1 ZINC000085771097 355497147 /nfs/dbraw/zinc/49/71/47/355497147.db2.gz MKVNKYGGRJNXDZ-UHFFFAOYSA-N 1 1 313.401 2.421 20 10 DECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C(=O)NC)C2)cc1 ZINC000093361289 193237542 /nfs/dbraw/zinc/23/75/42/193237542.db2.gz BQERXDUBUJGGTQ-INIZCTEOSA-N 1 1 303.450 2.491 20 10 DECDMO CCOc1cccc(C[N@H+](CC)[C@@H](C)CS(C)(=O)=O)c1O ZINC000093390606 193243810 /nfs/dbraw/zinc/24/38/10/193243810.db2.gz RKARNXOQQZUFRO-LBPRGKRZSA-N 1 1 315.435 2.046 20 10 DECDMO CCOc1cccc(C[N@@H+](CC)[C@@H](C)CS(C)(=O)=O)c1O ZINC000093390606 193243811 /nfs/dbraw/zinc/24/38/11/193243811.db2.gz RKARNXOQQZUFRO-LBPRGKRZSA-N 1 1 315.435 2.046 20 10 DECDMO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000371530007 533541940 /nfs/dbraw/zinc/54/19/40/533541940.db2.gz WIWAZWGBZHJSJA-LSDHHAIUSA-N 1 1 307.390 2.161 20 10 DECDMO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000371530007 533541942 /nfs/dbraw/zinc/54/19/42/533541942.db2.gz WIWAZWGBZHJSJA-LSDHHAIUSA-N 1 1 307.390 2.161 20 10 DECDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cc(OC)ccc1O)C2 ZINC000374682869 533639734 /nfs/dbraw/zinc/63/97/34/533639734.db2.gz MVYCXMLRUONUOR-GUYCJALGSA-N 1 1 305.374 2.176 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)c1 ZINC000273420885 130118873 /nfs/dbraw/zinc/11/88/73/130118873.db2.gz RZQADRJJSFZPRI-RCBQFDQVSA-N 1 1 318.417 2.456 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)Cn2cccn2)c1 ZINC000273490370 130127500 /nfs/dbraw/zinc/12/75/00/130127500.db2.gz OCAPPUALVRLNII-NEPJUHHUSA-N 1 1 303.362 2.115 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)c1 ZINC000273582558 130140035 /nfs/dbraw/zinc/14/00/35/130140035.db2.gz NBHIOGTUZMWPER-SGMGOOAPSA-N 1 1 323.389 2.023 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000275144630 292014300 /nfs/dbraw/zinc/01/43/00/292014300.db2.gz TTWXBDHCBWSUHP-SLEUVZQESA-N 1 1 307.390 2.381 20 10 DECDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c[nH]1 ZINC000155178944 402247663 /nfs/dbraw/zinc/24/76/63/402247663.db2.gz BICHREMGLSPVDU-UHFFFAOYSA-N 1 1 301.390 2.499 20 10 DECDMO CCC[N@@H+](CC(=O)NC)Cc1cc(Cl)cc(OC)c1O ZINC000184683160 402291641 /nfs/dbraw/zinc/29/16/41/402291641.db2.gz PQNWPIMNOBRDEO-UHFFFAOYSA-N 1 1 300.786 2.012 20 10 DECDMO C[C@@H](CNC(=O)Cc1ccc(N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000166499568 402485000 /nfs/dbraw/zinc/48/50/00/402485000.db2.gz QXIDYIVURCKNQR-HNNXBMFYSA-N 1 1 323.440 2.374 20 10 DECDMO CCCC[N@@H+](Cc1cc(C)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000179614514 402595786 /nfs/dbraw/zinc/59/57/86/402595786.db2.gz SJMYBRVGTSXTJU-HNNXBMFYSA-N 1 1 311.447 2.490 20 10 DECDMO COc1c(O)c(C[NH2+]CCc2ccncc2)ccc1[N+](=O)[O-] ZINC000278104205 402855556 /nfs/dbraw/zinc/85/55/56/402855556.db2.gz AKJJKQGPYFHKHR-UHFFFAOYSA-N 1 1 303.318 2.036 20 10 DECDMO COc1cccc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280118368 402967684 /nfs/dbraw/zinc/96/76/84/402967684.db2.gz BLAVRWBSWSAAOA-KRWDZBQOSA-N 1 1 307.390 2.171 20 10 DECDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@]2(CCOC2)O1 ZINC000280194324 402973694 /nfs/dbraw/zinc/97/36/94/402973694.db2.gz HMWHEUFTIDVRPY-CXAGYDPISA-N 1 1 308.397 2.272 20 10 DECDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@]2(CCOC2)O1 ZINC000280194324 402973695 /nfs/dbraw/zinc/97/36/95/402973695.db2.gz HMWHEUFTIDVRPY-CXAGYDPISA-N 1 1 308.397 2.272 20 10 DECDMO COc1c(O)c(C[N@H+]2CC[C@@H](OC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000282135799 403125759 /nfs/dbraw/zinc/12/57/59/403125759.db2.gz BPOVJAIKPNFVKB-ZYHUDNBSSA-N 1 1 310.350 2.308 20 10 DECDMO COc1c(O)c(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000282135799 403125762 /nfs/dbraw/zinc/12/57/62/403125762.db2.gz BPOVJAIKPNFVKB-ZYHUDNBSSA-N 1 1 310.350 2.308 20 10 DECDMO CCCOc1ccc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c(O)c1 ZINC000276797617 403194417 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C[N@H+]1CCC[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)C1 ZINC000293852589 403580870 /nfs/dbraw/zinc/58/08/70/403580870.db2.gz DEAKQQYSNURJGK-JXTAAOLFSA-N 1 1 316.401 2.055 20 10 DECDMO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)OC ZINC000294765568 403732298 /nfs/dbraw/zinc/73/22/98/403732298.db2.gz JPATVSHJFQZCPC-MFKMUULPSA-N 1 1 312.366 2.460 20 10 DECDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H](CO)c1ccccc1 ZINC000295094891 403758423 /nfs/dbraw/zinc/75/84/23/403758423.db2.gz SABALOMHRNUABS-CQSZACIVSA-N 1 1 301.342 2.286 20 10 DECDMO CCN(Cc1cc(Cl)c(F)cc1O)[C@H](C)CS(C)(=O)=O ZINC000295328652 403858076 /nfs/dbraw/zinc/85/80/76/403858076.db2.gz LUKHPZOCLWVRDK-SECBINFHSA-N 1 1 323.817 2.440 20 10 DECDMO C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[N@H+](C2CC2)C1 ZINC000296098491 404092827 /nfs/dbraw/zinc/09/28/27/404092827.db2.gz RRGRJLSBXZVKKK-LBPRGKRZSA-N 1 1 304.390 2.037 20 10 DECDMO C[C@@H]1CN(C2CC2)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000296098491 404092833 /nfs/dbraw/zinc/09/28/33/404092833.db2.gz 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COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1 ZINC000756684250 639686166 /nfs/dbraw/zinc/68/61/66/639686166.db2.gz NITBSNKOANEHNM-LLVKDONJSA-N 1 1 322.405 2.134 20 10 DECDMO C[C@H]([NH2+]CC1(CO)CCOCC1)c1cc(F)cc(F)c1O ZINC000756757915 639691776 /nfs/dbraw/zinc/69/17/76/639691776.db2.gz DAEWIZIOIOUYRJ-JTQLQIEISA-N 1 1 301.333 2.110 20 10 DECDMO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)[nH]1 ZINC000839540629 639752700 /nfs/dbraw/zinc/75/27/00/639752700.db2.gz CAWMFAGUNUVZKG-CHWSQXEVSA-N 1 1 315.421 2.362 20 10 DECDMO CC[C@]1(C)CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000758742097 639991525 /nfs/dbraw/zinc/99/15/25/639991525.db2.gz UATUFWJQGJDHNJ-GOSISDBHSA-N 1 1 303.450 2.491 20 10 DECDMO COc1cccc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)c1O ZINC000761226951 640288027 /nfs/dbraw/zinc/28/80/27/640288027.db2.gz XXWYQLZLQXTKLO-UHFFFAOYSA-N 1 1 318.417 2.234 20 10 DECDMO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000897558572 640795421 /nfs/dbraw/zinc/79/54/21/640795421.db2.gz 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644276914 /nfs/dbraw/zinc/27/69/14/644276914.db2.gz LYDYFWAVHCCFLS-WDEREUQCSA-N 1 1 316.804 2.072 20 10 DECDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1c(O)ccc3ccncc31)CCO2 ZINC000794658632 644455000 /nfs/dbraw/zinc/45/50/00/644455000.db2.gz CKRHVYJMWDHGNY-SCLBCKFNSA-N 1 1 314.385 2.320 20 10 DECDMO COC(=O)c1cnoc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000795985415 644669027 /nfs/dbraw/zinc/66/90/27/644669027.db2.gz NKZALSOMPHFCBD-SECBINFHSA-N 1 1 306.318 2.026 20 10 DECDMO CC[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(F)cc1O ZINC000796792742 644794025 /nfs/dbraw/zinc/79/40/25/644794025.db2.gz IQKAGXFXDSSTSX-ZDUSSCGKSA-N 1 1 303.337 2.266 20 10 DECDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)C1(S(C)(=O)=O)CC1 ZINC000797069010 644833128 /nfs/dbraw/zinc/83/31/28/644833128.db2.gz BFTLTXRKOMIYIH-DTWKUNHWSA-N 1 1 319.373 2.287 20 10 DECDMO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(F)cc1O ZINC000797072519 644834142 /nfs/dbraw/zinc/83/41/42/644834142.db2.gz YAIFBXHAPSVUEZ-UWVGGRQHSA-N 1 1 301.383 2.148 20 10 DECDMO 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/nfs/dbraw/zinc/59/51/67/402595167.db2.gz MRJJOYQKWIVBIM-UHFFFAOYSA-N 1 1 317.385 2.404 20 10 DECDMO Cc1cc(Cl)cc(C[NH+]2CCN(c3cnccn3)CC2)c1O ZINC000179714589 402598829 /nfs/dbraw/zinc/59/88/29/402598829.db2.gz JDWBXBVRNDDSNU-UHFFFAOYSA-N 1 1 318.808 2.466 20 10 DECDMO CCC[N@@H+](CC(=O)Nc1nncs1)Cc1ccccc1O ZINC000171823223 402625790 /nfs/dbraw/zinc/62/57/90/402625790.db2.gz ISKLHDXHRLFJSM-UHFFFAOYSA-N 1 1 306.391 2.094 20 10 DECDMO COc1cccc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000191747876 402689640 /nfs/dbraw/zinc/68/96/40/402689640.db2.gz ZJUZQUNLWIHOAD-CQSZACIVSA-N 1 1 319.430 2.424 20 10 DECDMO COc1cccc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000191747876 402689642 /nfs/dbraw/zinc/68/96/42/402689642.db2.gz ZJUZQUNLWIHOAD-CQSZACIVSA-N 1 1 319.430 2.424 20 10 DECDMO C[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000193158256 402767353 /nfs/dbraw/zinc/76/73/53/402767353.db2.gz UCIAJSUSIFLMDU-STQMWFEESA-N 1 1 318.417 2.481 20 10 DECDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)CO[C@@H](C)COC ZINC000278053330 402851335 /nfs/dbraw/zinc/85/13/35/402851335.db2.gz IZVNEIBUQWXJIK-HOCLYGCPSA-N 1 1 311.422 2.017 20 10 DECDMO CC(=O)c1cc(F)cc(C[N@@H+](C)CCc2cnccn2)c1O ZINC000271310945 402856645 /nfs/dbraw/zinc/85/66/45/402856645.db2.gz HWKNEQRHBDFZPI-UHFFFAOYSA-N 1 1 303.337 2.198 20 10 DECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000278157505 402860482 /nfs/dbraw/zinc/86/04/82/402860482.db2.gz DAWKGMNEWOSFJZ-CMPLNLGQSA-N 1 1 310.350 2.044 20 10 DECDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000278157505 402860483 /nfs/dbraw/zinc/86/04/83/402860483.db2.gz DAWKGMNEWOSFJZ-CMPLNLGQSA-N 1 1 310.350 2.044 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@H](OC)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000278501747 402867112 /nfs/dbraw/zinc/86/71/12/402867112.db2.gz NXPDVZGUHNMTCZ-LBPRGKRZSA-N 1 1 312.366 2.460 20 10 DECDMO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000278637678 402868920 /nfs/dbraw/zinc/86/89/20/402868920.db2.gz IRVBZRQBZKEJDA-NSHDSACASA-N 1 1 317.838 2.445 20 10 DECDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000278637678 402868922 /nfs/dbraw/zinc/86/89/22/402868922.db2.gz IRVBZRQBZKEJDA-NSHDSACASA-N 1 1 317.838 2.445 20 10 DECDMO COC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)[C@H]1CCCO1 ZINC000278718955 402869952 /nfs/dbraw/zinc/86/99/52/402869952.db2.gz ILERKDYFUJDEBI-DIOULYMOSA-N 1 1 323.389 2.023 20 10 DECDMO COCC[NH+]1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273444729 403005243 /nfs/dbraw/zinc/00/52/43/403005243.db2.gz ZPMYFMPAESRDHJ-LBPRGKRZSA-N 1 1 323.393 2.062 20 10 DECDMO CSCCC[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000281387198 403067455 /nfs/dbraw/zinc/06/74/55/403067455.db2.gz MRWJHPXSJBDISD-UHFFFAOYSA-N 1 1 309.479 2.054 20 10 DECDMO CC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000268839026 403119480 /nfs/dbraw/zinc/11/94/80/403119480.db2.gz MWBMHOFRTPGIJZ-QZTJIDSGSA-N 1 1 305.466 2.250 20 10 DECDMO CC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(N(C)C)cc1 ZINC000268839026 403119482 /nfs/dbraw/zinc/11/94/82/403119482.db2.gz MWBMHOFRTPGIJZ-QZTJIDSGSA-N 1 1 305.466 2.250 20 10 DECDMO COC(=O)[C@H](C)[N@H+](Cc1cc(OC)c(OC)cc1O)C1CCC1 ZINC000276750563 403193054 /nfs/dbraw/zinc/19/30/54/403193054.db2.gz FJSBLLHRPKZOLO-NSHDSACASA-N 1 1 323.389 2.325 20 10 DECDMO COC(=O)[C@H](C)[N@@H+](Cc1cc(OC)c(OC)cc1O)C1CCC1 ZINC000276750563 403193055 /nfs/dbraw/zinc/19/30/55/403193055.db2.gz FJSBLLHRPKZOLO-NSHDSACASA-N 1 1 323.389 2.325 20 10 DECDMO C[C@@H]1CCSCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298404072 403375827 /nfs/dbraw/zinc/37/58/27/403375827.db2.gz FGIOQXXIFRXDJP-CQSZACIVSA-N 1 1 321.490 2.196 20 10 DECDMO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298759239 403457091 /nfs/dbraw/zinc/45/70/91/403457091.db2.gz UMRVKUFTVJFDCG-GJZGRUSLSA-N 1 1 303.406 2.160 20 10 DECDMO CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(F)cc1O ZINC000286178822 403465929 /nfs/dbraw/zinc/46/59/29/403465929.db2.gz QSAVIGBEYJTQKN-SNVBAGLBSA-N 1 1 308.275 2.251 20 10 DECDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000293538321 403498297 /nfs/dbraw/zinc/49/82/97/403498297.db2.gz FRINAHTYDKWMHU-CQSZACIVSA-N 1 1 303.761 2.062 20 10 DECDMO COc1c(O)c(C[NH2+]CCC2(OC)CCC2)ccc1[N+](=O)[O-] ZINC000293560639 403505554 /nfs/dbraw/zinc/50/55/54/403505554.db2.gz GBVNLHXBHFZKGU-UHFFFAOYSA-N 1 1 310.350 2.358 20 10 DECDMO Cc1cc(C[N@@H+](CCS(C)(=O)=O)C(C)C)ccc1N(C)C ZINC000293877380 403588162 /nfs/dbraw/zinc/58/81/62/403588162.db2.gz TVOLFNNDVQXRLL-UHFFFAOYSA-N 1 1 312.479 2.316 20 10 DECDMO Cc1cc(C[N@H+](CCS(C)(=O)=O)C(C)C)ccc1N(C)C ZINC000293877380 403588169 /nfs/dbraw/zinc/58/81/69/403588169.db2.gz TVOLFNNDVQXRLL-UHFFFAOYSA-N 1 1 312.479 2.316 20 10 DECDMO CCS(=O)(=O)C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000294022747 403626190 /nfs/dbraw/zinc/62/61/90/403626190.db2.gz HNZXNMASYNCCHZ-UHFFFAOYSA-N 1 1 324.490 2.460 20 10 DECDMO COCCOCCOCC[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000294599171 403722590 /nfs/dbraw/zinc/72/25/90/403722590.db2.gz NNZMRINQFBRFEC-UHFFFAOYSA-N 1 1 324.465 2.172 20 10 DECDMO COC1CCN(c2ccc(C[N@@H+](C)C3(CO)CC3)cc2)CC1 ZINC000295304667 403843440 /nfs/dbraw/zinc/84/34/40/403843440.db2.gz MOYZVFSRVCRYNG-UHFFFAOYSA-N 1 1 304.434 2.259 20 10 DECDMO COCC[N@@H+](Cc1ccccn1)Cc1cc2c(cc1O)OCO2 ZINC000289697032 403993093 /nfs/dbraw/zinc/99/30/93/403993093.db2.gz FWWHAIGUTFUKIJ-UHFFFAOYSA-N 1 1 316.357 2.165 20 10 DECDMO Cc1cn[nH]c1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000289718899 403995153 /nfs/dbraw/zinc/99/51/53/403995153.db2.gz CTUNXJCOZQSTAA-UHFFFAOYSA-N 1 1 318.396 2.108 20 10 DECDMO Cc1c[nH]nc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000289718899 403995157 /nfs/dbraw/zinc/99/51/57/403995157.db2.gz CTUNXJCOZQSTAA-UHFFFAOYSA-N 1 1 318.396 2.108 20 10 DECDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)c1 ZINC000290887041 404351793 /nfs/dbraw/zinc/35/17/93/404351793.db2.gz LDENERINFGLDNK-CYBMUJFWSA-N 1 1 301.346 2.073 20 10 DECDMO C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)N1CCN(C)CC1 ZINC000185364028 333207740 /nfs/dbraw/zinc/20/77/40/333207740.db2.gz RUGWLUNCHDYSTD-STQMWFEESA-N 1 1 311.857 2.332 20 10 DECDMO CN(C)c1ccc(/C=C\C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000835026000 649868180 /nfs/dbraw/zinc/86/81/80/649868180.db2.gz PTOFDXIDYVBFRR-HYXAFXHYSA-N 1 1 323.444 2.378 20 10 DECDMO C[NH+]1CCN([C@H](C(=O)Nc2ccc(N)cc2)c2ccccc2)CC1 ZINC000237231116 523920003 /nfs/dbraw/zinc/92/00/03/523920003.db2.gz UXBZAQNHOBYYKJ-SFHVURJKSA-N 1 1 324.428 2.196 20 10 DECDMO COc1ccc(O)c(C[NH+]2CCN(C3=NC[C@H](C)S3)CC2)c1 ZINC000180448126 524742736 /nfs/dbraw/zinc/74/27/36/524742736.db2.gz DBFZAOOSFKCVHH-LBPRGKRZSA-N 1 1 321.446 2.010 20 10 DECDMO C[C@H]1CSCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000190462863 524751927 /nfs/dbraw/zinc/75/19/27/524751927.db2.gz FIHSPKJPBIHEFA-CQSZACIVSA-N 1 1 321.490 2.054 20 10 DECDMO C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000127440006 525490050 /nfs/dbraw/zinc/49/00/50/525490050.db2.gz 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DECDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000757640350 639863253 /nfs/dbraw/zinc/86/32/53/639863253.db2.gz UTMJFXLNHLNRKP-MRXNPFEDSA-N 1 1 311.385 2.378 20 10 DECDMO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@H+]2CCC[C@H]2C)c1 ZINC000897479896 640462899 /nfs/dbraw/zinc/46/28/99/640462899.db2.gz LKDGKAXBXJUDRK-CHWSQXEVSA-N 1 1 321.421 2.245 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)ccc1[N+](=O)[O-] ZINC000897506334 640511627 /nfs/dbraw/zinc/51/16/27/640511627.db2.gz ZGABOWFMKLEBPM-OCCSQVGLSA-N 1 1 322.361 2.356 20 10 DECDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CC[NH2+]CC1 ZINC000841915019 650601809 /nfs/dbraw/zinc/60/18/09/650601809.db2.gz LXVQWGIMVVWLIU-UHFFFAOYSA-N 1 1 318.204 2.250 20 10 DECDMO CN(C)c1ccc(CN(C(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC000729518703 640789159 /nfs/dbraw/zinc/78/91/59/640789159.db2.gz RVMSDBYERNLDSH-HNNXBMFYSA-N 1 1 301.434 2.195 20 10 DECDMO C[C@H](C[NH3+])CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000841963996 650614352 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FDRAYSNEWPBXJF-GOEBONIOSA-N 1 1 321.440 2.235 20 10 DECDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000783701921 643038723 /nfs/dbraw/zinc/03/87/23/643038723.db2.gz AOBNKSDPEYOLBY-CQSZACIVSA-N 1 1 323.456 2.169 20 10 DECDMO COc1cc(O)c(C[N@H+]2CCOC[C@H]2CC2CC2)cc1OC ZINC000902536673 643058585 /nfs/dbraw/zinc/05/85/85/643058585.db2.gz KPMBGVMPRPKJQV-CQSZACIVSA-N 1 1 307.390 2.410 20 10 DECDMO CCCC[C@](C)(CO)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000842745741 650816468 /nfs/dbraw/zinc/81/64/68/650816468.db2.gz FRGUKZYFXKYZKC-LJQANCHMSA-N 1 1 319.493 2.469 20 10 DECDMO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1cnn(C)n1 ZINC000924795859 643589630 /nfs/dbraw/zinc/58/96/30/643589630.db2.gz QSMDFRKMWCQNQY-UONOGXRCSA-N 1 1 315.421 2.064 20 10 DECDMO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cc(F)cc(F)c1O ZINC000842919112 650852230 /nfs/dbraw/zinc/85/22/30/650852230.db2.gz JXEBWHCGOWGKDG-HWPZZCPQSA-N 1 1 315.360 2.499 20 10 DECDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000790966754 643914792 /nfs/dbraw/zinc/91/47/92/643914792.db2.gz HWPUBBIPJHHMPA-CYBMUJFWSA-N 1 1 303.761 2.062 20 10 DECDMO C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC(C)(C)C[NH3+] ZINC000843056705 650879542 /nfs/dbraw/zinc/87/95/42/650879542.db2.gz WYWSZLJJMBTZDD-UHFFFAOYSA-N 1 1 301.774 2.371 20 10 DECDMO CCC[N@H+](Cc1cc(C)ccc1O)[C@H](COC)C(=O)OCC ZINC000792186831 644086353 /nfs/dbraw/zinc/08/63/53/644086353.db2.gz RCDCZVLQWAIJFC-OAHLLOKOSA-N 1 1 309.406 2.491 20 10 DECDMO CCC[N@@H+](Cc1cc(C)ccc1O)[C@H](COC)C(=O)OCC ZINC000792186831 644086360 /nfs/dbraw/zinc/08/63/60/644086360.db2.gz RCDCZVLQWAIJFC-OAHLLOKOSA-N 1 1 309.406 2.491 20 10 DECDMO CC(=O)CCn1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)nn1 ZINC000906297727 644200128 /nfs/dbraw/zinc/20/01/28/644200128.db2.gz VNLVANPKTDZHLE-CQSZACIVSA-N 1 1 315.421 2.174 20 10 DECDMO [NH3+]CC[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843122455 650900455 /nfs/dbraw/zinc/90/04/55/650900455.db2.gz CWEPIMVQCDALBT-INIZCTEOSA-N 1 1 321.440 2.366 20 10 DECDMO COc1cc(C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c(O)cc1C ZINC000794660561 644455508 /nfs/dbraw/zinc/45/55/08/644455508.db2.gz GQPCWDWDVQQNJA-CXAGYDPISA-N 1 1 307.390 2.089 20 10 DECDMO CC[C@@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1ccc(C)cc1O ZINC000794804433 644477868 /nfs/dbraw/zinc/47/78/68/644477868.db2.gz DYFREHYHTCGVLK-NVXWUHKLSA-N 1 1 305.466 2.377 20 10 DECDMO COc1cc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(O)cc1C ZINC000794888314 644488814 /nfs/dbraw/zinc/48/88/14/644488814.db2.gz FAIJDRNUSSIMMV-KDOFPFPSSA-N 1 1 321.417 2.479 20 10 DECDMO COc1cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c(O)cc1C ZINC000795638925 644609722 /nfs/dbraw/zinc/60/97/22/644609722.db2.gz PTVMYMAVSBRMNR-KRWDZBQOSA-N 1 1 307.390 2.091 20 10 DECDMO COc1cc(C)cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1O ZINC000795688537 644620013 /nfs/dbraw/zinc/62/00/13/644620013.db2.gz GASYAMIVNDFSLK-GDBMZVCRSA-N 1 1 320.433 2.004 20 10 DECDMO CC[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(F)cc1O ZINC000796962228 644819561 /nfs/dbraw/zinc/81/95/61/644819561.db2.gz 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318.373 2.484 20 10 DECDMO CCOc1cccc(C[NH+]2CCN(C(=O)C3CCC3)CC2)c1O ZINC001203614287 800090163 /nfs/dbraw/zinc/09/01/63/800090163.db2.gz UJYIUSGHPYHNBT-UHFFFAOYSA-N 1 1 318.417 2.235 20 10 DECDMO CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203878453 800138787 /nfs/dbraw/zinc/13/87/87/800138787.db2.gz GXIIFGOIVOKQIB-GOSISDBHSA-N 1 1 318.417 2.321 20 10 DECDMO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(O)c(O)c1)N1CCCC1 ZINC001203882245 800139405 /nfs/dbraw/zinc/13/94/05/800139405.db2.gz GOIXQYSDXQNVHS-AWEZNQCLSA-N 1 1 304.390 2.075 20 10 DECDMO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(O)c1)N1CCCC1 ZINC001203882245 800139408 /nfs/dbraw/zinc/13/94/08/800139408.db2.gz GOIXQYSDXQNVHS-AWEZNQCLSA-N 1 1 304.390 2.075 20 10 DECDMO CCN(CC)c1ccc(C[NH+]2CCN(CCCO)CC2)cc1 ZINC001203940202 800149317 /nfs/dbraw/zinc/14/93/17/800149317.db2.gz IXNKHNOOUHGBDU-UHFFFAOYSA-N 1 1 305.466 2.033 20 10 DECDMO CN(C)c1ccc(C[NH+]2CC3(C2)CS(=O)C3)c2ccccc21 ZINC001204236034 800192881 /nfs/dbraw/zinc/19/28/81/800192881.db2.gz 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801690919 /nfs/dbraw/zinc/69/09/19/801690919.db2.gz CYAXUEUJDDQRQU-AWEZNQCLSA-N 1 1 313.401 2.439 20 10 DECDMO COc1cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c(O)cc1O ZINC001231636103 801700376 /nfs/dbraw/zinc/70/03/76/801700376.db2.gz JXAXBDCHJXRWDK-CYBMUJFWSA-N 1 1 300.358 2.491 20 10 DECDMO COc1cc(C[N@@H+]2CCC[C@H]2c2ncccn2)c(O)cc1O ZINC001231640305 801701340 /nfs/dbraw/zinc/70/13/40/801701340.db2.gz SGYVOKDSFKKPCL-LBPRGKRZSA-N 1 1 301.346 2.234 20 10 DECDMO COc1cc(C[N@H+]2CCC[C@H]2c2ncccn2)c(O)cc1O ZINC001231640305 801701347 /nfs/dbraw/zinc/70/13/47/801701347.db2.gz SGYVOKDSFKKPCL-LBPRGKRZSA-N 1 1 301.346 2.234 20 10 DECDMO COc1cc(C[N@@H+](C)Cc2cccc3c2OCO3)c(O)cc1O ZINC001231638679 801702273 /nfs/dbraw/zinc/70/22/73/801702273.db2.gz ASPGVHZMLLYYKH-UHFFFAOYSA-N 1 1 317.341 2.467 20 10 DECDMO C[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194478 801812272 /nfs/dbraw/zinc/81/22/72/801812272.db2.gz ICIVGOADHRDCQG-ZFWWWQNUSA-N 1 1 324.852 2.379 20 10 DECDMO C[C@@]1(CO)CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232194721 801813394 /nfs/dbraw/zinc/81/33/94/801813394.db2.gz LEIVNFZSAASEQR-QGZVFWFLSA-N 1 1 324.852 2.381 20 10 DECDMO C[NH+](C)[C@H]1CCN(Cc2c(O)cc(Br)cc2F)C1 ZINC001233027233 802006739 /nfs/dbraw/zinc/00/67/39/802006739.db2.gz NYCFBVUMPZOJKW-JTQLQIEISA-N 1 1 317.202 2.430 20 10 DECDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)c1 ZINC001233284345 802064217 /nfs/dbraw/zinc/06/42/17/802064217.db2.gz QZOHNZLNILUJII-FUHWJXTLSA-N 1 1 307.434 2.255 20 10 DECDMO O[C@@H]1CC[NH2+][C@H](c2nnc(-c3ccc(-n4cccc4)cc3)o2)C1 ZINC001217697059 802101618 /nfs/dbraw/zinc/10/16/18/802101618.db2.gz VUVLHSIBRWGTTF-CABCVRRESA-N 1 1 310.357 2.313 20 10 DECDMO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233453972 802121911 /nfs/dbraw/zinc/12/19/11/802121911.db2.gz AZBKHEMNVFGCHM-LLVKDONJSA-N 1 1 323.336 2.030 20 10 DECDMO C[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)C(=O)NCC(F)(F)F ZINC001331229120 1149400768 /nfs/dbraw/zinc/40/07/68/1149400768.db2.gz HCHOSTVZTUCRDM-HTQZYQBOSA-N 1 1 308.275 2.249 20 10 DECDMO COCn1ncc(C)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001335408911 1150409661 /nfs/dbraw/zinc/40/96/61/1150409661.db2.gz ZUKIYZUXTUJKFV-UHFFFAOYSA-N 1 1 302.422 2.493 20 10 DECDMO COc1cc(C)c(C[N@H+]2CC[C@H](c3noc(C)n3)C2)c(O)c1 ZINC001462584370 1058857222 /nfs/dbraw/zinc/85/72/22/1058857222.db2.gz KUZRCZPYZFLFRH-LBPRGKRZSA-N 1 1 303.362 2.390 20 10 DECDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001465900116 1059382005 /nfs/dbraw/zinc/38/20/05/1059382005.db2.gz NQQGATRHLYQTCH-YGRLFVJLSA-N 1 1 315.377 2.062 20 10 DECDMO CN(C)c1ccc(C[N@@H+](C[C@@H](O)C2(O)CCCC2)C2CC2)cc1 ZINC001473115151 1060649782 /nfs/dbraw/zinc/64/97/82/1060649782.db2.gz LXMZTOIMXCZPAK-GOSISDBHSA-N 1 1 318.461 2.383 20 10 DECDMO CCC[N@@H+](Cc1ccc(Cl)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC001474414794 1060864983 /nfs/dbraw/zinc/86/49/83/1060864983.db2.gz GJIGBYBDNUYLDM-ZDUSSCGKSA-N 1 1 317.838 2.445 20 10 DECDMO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nc(N)nc(Cl)n2)c1 ZINC001616779225 1078134842 /nfs/dbraw/zinc/13/48/42/1078134842.db2.gz SRAIXUBPILKDCL-JGVFFNPUSA-N 1 1 323.784 2.233 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC001621306702 1078172065 /nfs/dbraw/zinc/17/20/65/1078172065.db2.gz SMOPDGMURCCECW-SUMWQHHRSA-N 1 1 307.390 2.089 20 10 DECDMO CN(C)c1ccc2c(c1)OCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001628727438 1078302752 /nfs/dbraw/zinc/30/27/52/1078302752.db2.gz XEXFIPIVYFIJTQ-UHFFFAOYSA-N 1 1 319.449 2.456 20 10 DECDMO CC(C)[NH2+]CCCNCc1ccc(N2CCC(O)CC2)cc1 ZINC001575731278 1066411039 /nfs/dbraw/zinc/41/10/39/1066411039.db2.gz YENUZUSHWZQEMA-UHFFFAOYSA-N 1 1 305.466 2.125 20 10 DECDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1c(O)cccc1F ZINC001635001062 1078441814 /nfs/dbraw/zinc/44/18/14/1078441814.db2.gz AFZGALYBPSGYAS-HNNXBMFYSA-N 1 1 323.412 2.451 20 10 DECDMO CC[N@@H+]1CC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001638694085 1078577015 /nfs/dbraw/zinc/57/70/15/1078577015.db2.gz PKYBSJFGYICJMI-QGZVFWFLSA-N 1 1 301.434 2.387 20 10 DECDMO CC[N@H+]1CC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001638694085 1078577020 /nfs/dbraw/zinc/57/70/20/1078577020.db2.gz PKYBSJFGYICJMI-QGZVFWFLSA-N 1 1 301.434 2.387 20 10 DECDMO CC(C)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)C1=O ZINC001272618513 1079015603 /nfs/dbraw/zinc/01/56/03/1079015603.db2.gz KESUHALTURUALM-GOSISDBHSA-N 1 1 302.418 2.473 20 10 DECDMO [NH3+][C@]12CC[C@@H]1CN(Cc1c(O)cc(Br)cc1F)C2 ZINC001235993717 1079070294 /nfs/dbraw/zinc/07/02/94/1079070294.db2.gz SANNKYNGPUFJTL-OQPBUACISA-N 1 1 315.186 2.217 20 10 DECDMO CC(C)c1ccc(O)c(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1 ZINC001652946894 1079905635 /nfs/dbraw/zinc/90/56/35/1079905635.db2.gz OUSDLLUBRWQTLA-HDICACEKSA-N 1 1 316.401 2.000 20 10 DECDMO COc1c(O)c(C[NH2+][C@H](CCO)C2CCCC2)ccc1[N+](=O)[O-] ZINC001653161798 1079916592 /nfs/dbraw/zinc/91/65/92/1079916592.db2.gz DWVKSSFTJAEHEV-CYBMUJFWSA-N 1 1 324.377 2.340 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCOCC3(CCOCC3)C2)c(O)c1 ZINC001657753370 1080184844 /nfs/dbraw/zinc/18/48/44/1080184844.db2.gz AQAKEQCKOJLHAP-UHFFFAOYSA-N 1 1 321.417 2.338 20 10 DECDMO COc1cc(C)c(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC001657886058 1080188605 /nfs/dbraw/zinc/18/86/05/1080188605.db2.gz KBABYENOSFQDSN-SUMWQHHRSA-N 1 1 307.390 2.089 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c(O)c1 ZINC001658144972 1080197670 /nfs/dbraw/zinc/19/76/70/1080197670.db2.gz WVPQZPJBJMKXHA-ZDUSSCGKSA-N 1 1 322.405 2.372 20 10 DECDMO Cc1c2ccccc2n(C)c1CNC1(CCO)CC[NH+](C)CC1 ZINC001658190855 1080200155 /nfs/dbraw/zinc/20/01/55/1080200155.db2.gz DJPDQAUDVVVYBK-UHFFFAOYSA-N 1 1 315.461 2.423 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)c(O)c1 ZINC001658202339 1080202507 /nfs/dbraw/zinc/20/25/07/1080202507.db2.gz QGXYGXMNKWSCIA-AWEZNQCLSA-N 1 1 306.406 2.057 20 10 DECDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001663536867 1080770043 /nfs/dbraw/zinc/77/00/43/1080770043.db2.gz LOACVYHPUSPTGK-LLVKDONJSA-N 1 1 312.360 2.409 20 10 DECDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001663536867 1080770052 /nfs/dbraw/zinc/77/00/52/1080770052.db2.gz LOACVYHPUSPTGK-LLVKDONJSA-N 1 1 312.360 2.409 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)c(O)c1 ZINC001665773185 1081080403 /nfs/dbraw/zinc/08/04/03/1081080403.db2.gz DHUXUCVUFNGADE-QGZVFWFLSA-N 1 1 317.389 2.016 20 10 DECDMO Oc1c(F)cccc1CN1C[C@@H]2C[N@@H+](C3CCCC3)C[C@H](C1)O2 ZINC001276537035 1083484257 /nfs/dbraw/zinc/48/42/57/1083484257.db2.gz ARZWIKTZKZNWCP-IYBDPMFKSA-N 1 1 320.408 2.359 20 10 DECDMO CCOc1ccc(C[N@H+]2CCC[C@]3(CN(C)CCO3)C2)c(O)c1 ZINC001276814220 1083626496 /nfs/dbraw/zinc/62/64/96/1083626496.db2.gz FIYNBWKLVFNGGD-SFHVURJKSA-N 1 1 320.433 2.088 20 10 DECDMO COc1ccc(N2CCC[C@]3(C2)C[N@H+](C)CCO3)c(OC)c1 ZINC001276994626 1083724926 /nfs/dbraw/zinc/72/49/26/1083724926.db2.gz POSYHSCACKHXDV-QGZVFWFLSA-N 1 1 306.406 2.005 20 10 DECDMO COc1ccc(N2CCC[C@]3(C2)C[N@@H+](C)CCO3)c(OC)c1 ZINC001276994626 1083724935 /nfs/dbraw/zinc/72/49/35/1083724935.db2.gz POSYHSCACKHXDV-QGZVFWFLSA-N 1 1 306.406 2.005 20 10 DECDMO [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001205210209 1083789469 /nfs/dbraw/zinc/78/94/69/1083789469.db2.gz NNZDUNSAVCAKGD-CQSZACIVSA-N 1 1 319.232 2.375 20 10 DECDMO Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CN(C)CCO3)C2)c1O ZINC001277519246 1084011534 /nfs/dbraw/zinc/01/15/34/1084011534.db2.gz PTMCVFDGECZVAF-KRWDZBQOSA-N 1 1 308.397 2.136 20 10 DECDMO COC(=O)C[C@H]1CNCC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001235849739 1084548917 /nfs/dbraw/zinc/54/89/17/1084548917.db2.gz SCCSIQQXGMQWDW-HNNXBMFYSA-N 1 1 320.433 2.027 20 10 DECDMO COC(=O)C[C@H]1CNCC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001235849739 1084548928 /nfs/dbraw/zinc/54/89/28/1084548928.db2.gz SCCSIQQXGMQWDW-HNNXBMFYSA-N 1 1 320.433 2.027 20 10 DECDMO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(O)cc1O ZINC001272987944 1085804674 /nfs/dbraw/zinc/80/46/74/1085804674.db2.gz MAIQQPOXOPOOKH-HZPDHXFCSA-N 1 1 318.417 2.319 20 10 DECDMO C[C@H]1C[C@@H](C(=O)NCCCSc2nccs2)CC[N@H+]1C ZINC001292996406 1091452809 /nfs/dbraw/zinc/45/28/09/1091452809.db2.gz CZXZHLHATSLWCZ-RYUDHWBXSA-N 1 1 313.492 2.472 20 10 DECDMO Cc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)c1O ZINC001276080801 1091516216 /nfs/dbraw/zinc/51/62/16/1091516216.db2.gz VKGAPIUOYHMWPJ-IRXDYDNUSA-N 1 1 312.417 2.273 20 10 DECDMO COc1ccc(C[NH+]2CC3(CCN3Cc3ccc[nH]3)C2)c(O)c1 ZINC001275275158 1091649234 /nfs/dbraw/zinc/64/92/34/1091649234.db2.gz CQYLWKITNNKURG-UHFFFAOYSA-N 1 1 313.401 2.189 20 10 DECDMO [NH3+]C[C@H]1CCCN1Cc1c(O)cc(Br)cc1F ZINC001236251402 1138344239 /nfs/dbraw/zinc/34/42/39/1138344239.db2.gz SWDQRLPOJVMAID-SECBINFHSA-N 1 1 303.175 2.217 20 10 DECDMO Oc1c(Br)cc(Cl)cc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236291657 1138346588 /nfs/dbraw/zinc/34/65/88/1138346588.db2.gz NYUOXDFLRFQCFD-GZMMTYOYSA-N 1 1 317.614 2.212 20 10 DECDMO Oc1cc(C[N@@H+]2CCCC[C@@H](O)C2)c(O)cc1Br ZINC001236764254 1138416764 /nfs/dbraw/zinc/41/67/64/1138416764.db2.gz DQTOIAJRMCCVCO-SNVBAGLBSA-N 1 1 316.195 2.207 20 10 DECDMO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236807661 1138434549 /nfs/dbraw/zinc/43/45/49/1138434549.db2.gz IBVZXYDOJLGUOQ-CHWSQXEVSA-N 1 1 307.390 2.483 20 10 DECDMO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236810291 1138435487 /nfs/dbraw/zinc/43/54/87/1138435487.db2.gz RUVMDOGLVIVIQR-NSHDSACASA-N 1 1 313.781 2.439 20 10 DECDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236810291 1138435493 /nfs/dbraw/zinc/43/54/93/1138435493.db2.gz RUVMDOGLVIVIQR-NSHDSACASA-N 1 1 313.781 2.439 20 10 DECDMO COc1cc(C)c(C[NH+]2CCN(CC(F)(F)F)CC2)c(O)c1 ZINC001236811344 1138436443 /nfs/dbraw/zinc/43/64/43/1138436443.db2.gz QUGQZAMLIHTGQW-UHFFFAOYSA-N 1 1 318.339 2.389 20 10 DECDMO COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236812028 1138437393 /nfs/dbraw/zinc/43/73/93/1138437393.db2.gz YFCCNNOOVVVYOD-AAEUAGOBSA-N 1 1 307.390 2.340 20 10 DECDMO COC(=O)C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCO1 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COc1c(O)c(C[NH2+]CCc2ccccn2)ccc1[N+](=O)[O-] ZINC000278914211 402885190 /nfs/dbraw/zinc/88/51/90/402885190.db2.gz SYSOHDVLDYABMZ-UHFFFAOYSA-N 1 1 303.318 2.036 20 10 DECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](C)(C(=O)NC)C2)cc1 ZINC000281251524 403061905 /nfs/dbraw/zinc/06/19/05/403061905.db2.gz XIKVEFPXDKMKGC-GOSISDBHSA-N 1 1 303.450 2.491 20 10 DECDMO Cc1nccn1CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000270810724 403226818 /nfs/dbraw/zinc/22/68/18/403226818.db2.gz HMYJNNXKFSIYRO-UHFFFAOYSA-N 1 1 314.433 2.160 20 10 DECDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000292899703 403383173 /nfs/dbraw/zinc/38/31/73/403383173.db2.gz ZWPHTIXXEWZVKK-MRXNPFEDSA-N 1 1 324.490 2.399 20 10 DECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000292899703 403383177 /nfs/dbraw/zinc/38/31/77/403383177.db2.gz ZWPHTIXXEWZVKK-MRXNPFEDSA-N 1 1 324.490 2.399 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2snnc2C)c1 ZINC000293354525 403451564 /nfs/dbraw/zinc/45/15/64/403451564.db2.gz HBQUIONCFJJCOE-MRVPVSSYSA-N 1 1 307.375 2.190 20 10 DECDMO CC(C)(C)C(=O)NCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293529007 403496690 /nfs/dbraw/zinc/49/66/90/403496690.db2.gz DTQYRMDCYRJWRD-UHFFFAOYSA-N 1 1 302.777 2.437 20 10 DECDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000294206088 403672773 /nfs/dbraw/zinc/67/27/73/403672773.db2.gz YCDHOXRTYZVHOV-KRWDZBQOSA-N 1 1 307.390 2.351 20 10 DECDMO Cn1ccnc1[C@H]([NH2+]Cc1cc(F)ccc1O)C(C)(C)CO ZINC000295136180 403770598 /nfs/dbraw/zinc/77/05/98/403770598.db2.gz YVQSAXFXUFOGDV-AWEZNQCLSA-N 1 1 307.369 2.114 20 10 DECDMO O=C1N[C@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C[C@@H]2CO1 ZINC000294842835 403735159 /nfs/dbraw/zinc/73/51/59/403735159.db2.gz ZIPNRHSAHHFPNQ-SKDRFNHKSA-N 1 1 314.744 2.115 20 10 DECDMO O=C1N[C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C[C@@H]2CO1 ZINC000294842835 403735163 /nfs/dbraw/zinc/73/51/63/403735163.db2.gz ZIPNRHSAHHFPNQ-SKDRFNHKSA-N 1 1 314.744 2.115 20 10 DECDMO Cc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000294902705 403737789 /nfs/dbraw/zinc/73/77/89/403737789.db2.gz XKKUDXNGBLVEDA-LSDHHAIUSA-N 1 1 310.397 2.482 20 10 DECDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000295232802 403805539 /nfs/dbraw/zinc/80/55/39/403805539.db2.gz XBPYVFNUFKMCHF-GOSISDBHSA-N 1 1 320.433 2.073 20 10 DECDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000289684842 403993441 /nfs/dbraw/zinc/99/34/41/403993441.db2.gz OAFWLRKJEPJQOE-ZDUSSCGKSA-N 1 1 320.389 2.002 20 10 DECDMO CCC[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000290152892 404060394 /nfs/dbraw/zinc/06/03/94/404060394.db2.gz LEYDHELJDUIWFP-INIZCTEOSA-N 1 1 324.377 2.294 20 10 DECDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000290152892 404060399 /nfs/dbraw/zinc/06/03/99/404060399.db2.gz LEYDHELJDUIWFP-INIZCTEOSA-N 1 1 324.377 2.294 20 10 DECDMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)cc1C ZINC000291642338 404460055 /nfs/dbraw/zinc/46/00/55/404460055.db2.gz TXILVSJTBPOWKA-NVXWUHKLSA-N 1 1 304.434 2.304 20 10 DECDMO COc1c([O-])c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000365821539 404726838 /nfs/dbraw/zinc/72/68/38/404726838.db2.gz LGGTYWWYMGGKSK-QWHCGFSZSA-N 1 1 321.377 2.025 20 10 DECDMO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC2(CC2)c2ccccc21 ZINC000662469912 425659971 /nfs/dbraw/zinc/65/99/71/425659971.db2.gz MGYLSUOOFGOHQN-GFCCVEGCSA-N 1 1 308.385 2.179 20 10 DECDMO OCC[N@H+](Cc1cc(Cl)c(F)cc1O)C1CCOCC1 ZINC000294635822 335126604 /nfs/dbraw/zinc/12/66/04/335126604.db2.gz JXYXMLGJFUBMCZ-UHFFFAOYSA-N 1 1 303.761 2.158 20 10 DECDMO OCC[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CCOCC1 ZINC000294635822 335126606 /nfs/dbraw/zinc/12/66/06/335126606.db2.gz JXYXMLGJFUBMCZ-UHFFFAOYSA-N 1 1 303.761 2.158 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CCN2CCOCC2)cc1 ZINC000835025200 649867895 /nfs/dbraw/zinc/86/78/95/649867895.db2.gz BVRQJUSEOAIDNV-SNAWJCMRSA-N 1 1 303.450 2.030 20 10 DECDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835025543 649868233 /nfs/dbraw/zinc/86/82/33/649868233.db2.gz KSAPAYJDACSERS-ATQQARJTSA-N 1 1 301.434 2.352 20 10 DECDMO CC(=O)N1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835026081 649868334 /nfs/dbraw/zinc/86/83/34/649868334.db2.gz PIWVZQJTGATURN-NFAHFFEMSA-N 1 1 301.434 2.318 20 10 DECDMO CC(=O)N1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835026081 649868335 /nfs/dbraw/zinc/86/83/35/649868335.db2.gz PIWVZQJTGATURN-NFAHFFEMSA-N 1 1 301.434 2.318 20 10 DECDMO CN(C)c1ccc(/C=C/C[NH2+]CCCCN2CCOCC2)cc1 ZINC000835035586 649869912 /nfs/dbraw/zinc/86/99/12/649869912.db2.gz KZNZJEBFCFSLMS-AATRIKPKSA-N 1 1 317.477 2.468 20 10 DECDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000190212795 523739129 /nfs/dbraw/zinc/73/91/29/523739129.db2.gz XJKVOSWAUKIVBC-QGZVFWFLSA-N 1 1 309.406 2.394 20 10 DECDMO Cc1cccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1O ZINC000180031642 524394794 /nfs/dbraw/zinc/39/47/94/524394794.db2.gz SRPRUPUFYCDIFI-INIZCTEOSA-N 1 1 304.434 2.245 20 10 DECDMO C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1[O-] ZINC000191216699 525474602 /nfs/dbraw/zinc/47/46/02/525474602.db2.gz HRJSESHVOSUKRJ-VXGBXAGGSA-N 1 1 314.376 2.168 20 10 DECDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180953336 527442705 /nfs/dbraw/zinc/44/27/05/527442705.db2.gz VGVMWORMQMPNGG-FVOPLDGLSA-N 1 1 315.373 2.068 20 10 DECDMO Nc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000238007169 527493122 /nfs/dbraw/zinc/49/31/22/527493122.db2.gz DQFAGVYIRMIXFZ-QGZVFWFLSA-N 1 1 311.385 2.108 20 10 DECDMO Nc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000238007169 527493125 /nfs/dbraw/zinc/49/31/25/527493125.db2.gz DQFAGVYIRMIXFZ-QGZVFWFLSA-N 1 1 311.385 2.108 20 10 DECDMO CC[C@@H]([NH2+][C@H](CC)c1ccc(F)cc1O)C(=O)N1CCOCC1 ZINC000285524893 535808884 /nfs/dbraw/zinc/80/88/84/535808884.db2.gz BHYNPEFDMWDJQZ-HUUCEWRRSA-N 1 1 324.396 2.209 20 10 DECDMO CC[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc(F)cc1O ZINC000287764588 535898162 /nfs/dbraw/zinc/89/81/62/535898162.db2.gz ZZLOBQASFDKNRL-HNNXBMFYSA-N 1 1 308.397 2.437 20 10 DECDMO C[N@@H+]1CCN(C(=O)/C=C\c2cncc(O)c2)c2ccccc2C1 ZINC000492441470 536399080 /nfs/dbraw/zinc/39/90/80/536399080.db2.gz NERPXULXAICWRG-SREVYHEPSA-N 1 1 309.369 2.279 20 10 DECDMO C[N@H+]1CCN(C(=O)/C=C\c2cncc(O)c2)c2ccccc2C1 ZINC000492441470 536399082 /nfs/dbraw/zinc/39/90/82/536399082.db2.gz NERPXULXAICWRG-SREVYHEPSA-N 1 1 309.369 2.279 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2ccccn2)c1 ZINC000273393092 536793289 /nfs/dbraw/zinc/79/32/89/536793289.db2.gz LFJACKLHWGOPDY-LBPRGKRZSA-N 1 1 300.358 2.467 20 10 DECDMO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1nnnn1C1CC1 ZINC000835047637 649871597 /nfs/dbraw/zinc/87/15/97/649871597.db2.gz BYAZXTZPZTVYAQ-IHVVCDCBSA-N 1 1 312.421 2.438 20 10 DECDMO C[C@H]1C[N@H+](Cc2ccccc2O)CCN1C(=O)c1cscn1 ZINC000835057503 649873486 /nfs/dbraw/zinc/87/34/86/649873486.db2.gz PMXLACNNTQGXAL-LBPRGKRZSA-N 1 1 317.414 2.195 20 10 DECDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CCN1C(=O)c1cscn1 ZINC000835057503 649873487 /nfs/dbraw/zinc/87/34/87/649873487.db2.gz PMXLACNNTQGXAL-LBPRGKRZSA-N 1 1 317.414 2.195 20 10 DECDMO CCC[N@@H+](CC)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000175767591 622923765 /nfs/dbraw/zinc/92/37/65/622923765.db2.gz FTYHCHVHLLHLGN-CYBMUJFWSA-N 1 1 323.437 2.493 20 10 DECDMO C[C@@H](CNC(=O)NCc1cccc(Cl)c1O)[N@@H+](C)C1CC1 ZINC000892819537 625639834 /nfs/dbraw/zinc/63/98/34/625639834.db2.gz BMFULBILLAIKIP-JTQLQIEISA-N 1 1 311.813 2.328 20 10 DECDMO COc1cc(C[N@H+]2CCOC3(CCOCC3)C2)c(O)cc1C ZINC000160450969 623764635 /nfs/dbraw/zinc/76/46/35/623764635.db2.gz HBBKWYGYEFXLPJ-UHFFFAOYSA-N 1 1 307.390 2.091 20 10 DECDMO COc1ccc(C[N@@H+](CCO)Cc2ccccc2)c(O)c1OC ZINC000891451136 624200197 /nfs/dbraw/zinc/20/01/97/624200197.db2.gz RTAZHUWVXRKSFM-UHFFFAOYSA-N 1 1 317.385 2.404 20 10 DECDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(OC)c(OC)c2O)C[C@@H]1C ZINC000892085450 624775539 /nfs/dbraw/zinc/77/55/39/624775539.db2.gz FXFODFZKGACNOD-QWHCGFSZSA-N 1 1 308.422 2.324 20 10 DECDMO CCN1C[C@@H](C)[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@@H]1C ZINC000892085450 624775541 /nfs/dbraw/zinc/77/55/41/624775541.db2.gz FXFODFZKGACNOD-QWHCGFSZSA-N 1 1 308.422 2.324 20 10 DECDMO CCN1C[C@@H](C)[N@@H+](Cc2ccc(OC)c(OC)c2O)C[C@@H]1C ZINC000892085450 624775543 /nfs/dbraw/zinc/77/55/43/624775543.db2.gz FXFODFZKGACNOD-QWHCGFSZSA-N 1 1 308.422 2.324 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000128528859 625179714 /nfs/dbraw/zinc/17/97/14/625179714.db2.gz NAMKRQPZWMZIEH-KRWDZBQOSA-N 1 1 315.461 2.491 20 10 DECDMO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccco1 ZINC000180595074 625190078 /nfs/dbraw/zinc/19/00/78/625190078.db2.gz RBCVPSHIDQMXAS-CFNZNRNTSA-N 1 1 316.357 2.123 20 10 DECDMO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000840936993 634815551 /nfs/dbraw/zinc/81/55/51/634815551.db2.gz PZCFXXUOFXQUSA-IAGOWNOFSA-N 1 1 320.433 2.213 20 10 DECDMO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000840936993 634815555 /nfs/dbraw/zinc/81/55/55/634815555.db2.gz PZCFXXUOFXQUSA-IAGOWNOFSA-N 1 1 320.433 2.213 20 10 DECDMO COc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c(O)c1OC ZINC000893409500 633511124 /nfs/dbraw/zinc/51/11/24/633511124.db2.gz RSPREDCOVPJCRF-TZMCWYRMSA-N 1 1 309.406 2.392 20 10 DECDMO COc1cc(C)cc(CN2CC[NH+](CCOC(C)C)CC2)c1O ZINC000894044714 636098180 /nfs/dbraw/zinc/09/81/80/636098180.db2.gz WQMGURHPALZSAC-UHFFFAOYSA-N 1 1 322.449 2.252 20 10 DECDMO CN(C)c1ccc(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000837380536 650192521 /nfs/dbraw/zinc/19/25/21/650192521.db2.gz QQVDGBKLJRZZIM-MRXNPFEDSA-N 1 1 318.465 2.284 20 10 DECDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000840974292 635979437 /nfs/dbraw/zinc/97/94/37/635979437.db2.gz FDFNPGBCJHCIPA-CQSZACIVSA-N 1 1 318.417 2.378 20 10 DECDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC000840976869 636006577 /nfs/dbraw/zinc/00/65/77/636006577.db2.gz YSDUQFJOTYIQKI-PKOBYXMFSA-N 1 1 320.477 2.488 20 10 DECDMO COC(=O)c1c(C[NH+]2CCC(O)CC2)c2cc(F)ccc2n1C ZINC000893901194 636058824 /nfs/dbraw/zinc/05/88/24/636058824.db2.gz NAGJXQHMPSSOIO-UHFFFAOYSA-N 1 1 320.364 2.061 20 10 DECDMO Cn1cc(C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C2)cn1 ZINC000894084699 636105349 /nfs/dbraw/zinc/10/53/49/636105349.db2.gz NBUNMQJCDJZRSD-LLVKDONJSA-N 1 1 307.344 2.469 20 10 DECDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)cn1 ZINC000894084699 636105354 /nfs/dbraw/zinc/10/53/54/636105354.db2.gz NBUNMQJCDJZRSD-LLVKDONJSA-N 1 1 307.344 2.469 20 10 DECDMO COc1ccc(N2CCC[N@@H+](CCc3nnc(C)o3)CC2)cc1 ZINC000929315536 636400023 /nfs/dbraw/zinc/40/00/23/636400023.db2.gz LMPXNOUUGPTGDI-UHFFFAOYSA-N 1 1 316.405 2.141 20 10 DECDMO CCOC(=O)C[N@H+](Cc1c(O)ccc2ccncc21)C1CC1 ZINC000726589718 636445510 /nfs/dbraw/zinc/44/55/10/636445510.db2.gz PEXUAJAYXXSACY-UHFFFAOYSA-N 1 1 300.358 2.468 20 10 DECDMO CCOC(=O)C[N@@H+](Cc1c(O)ccc2ccncc21)C1CC1 ZINC000726589718 636445512 /nfs/dbraw/zinc/44/55/12/636445512.db2.gz PEXUAJAYXXSACY-UHFFFAOYSA-N 1 1 300.358 2.468 20 10 DECDMO COc1cc(C)cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1O ZINC000894532903 637093343 /nfs/dbraw/zinc/09/33/43/637093343.db2.gz JSVNUKUJBWXPLW-LSDHHAIUSA-N 1 1 319.401 2.279 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1O ZINC000894532903 637093347 /nfs/dbraw/zinc/09/33/47/637093347.db2.gz JSVNUKUJBWXPLW-LSDHHAIUSA-N 1 1 319.401 2.279 20 10 DECDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4COC[C@@H]43)cc2)CC1 ZINC000839187133 637813862 /nfs/dbraw/zinc/81/38/62/637813862.db2.gz BYEOMLWZLLDPEF-MJGOQNOKSA-N 1 1 315.461 2.049 20 10 DECDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]4COC[C@@H]43)cc2)CC1 ZINC000839187133 637813865 /nfs/dbraw/zinc/81/38/65/637813865.db2.gz BYEOMLWZLLDPEF-MJGOQNOKSA-N 1 1 315.461 2.049 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000840912021 650378079 /nfs/dbraw/zinc/37/80/79/650378079.db2.gz XPEWPRWCKFXILT-KRWDZBQOSA-N 1 1 316.449 2.051 20 10 DECDMO COc1cc(Br)cc(C[NH2+]Cc2ncc[nH]2)c1O ZINC000741160874 637946195 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2.295 20 10 DECDMO COc1c(O)c(C[N@H+]2CC[C@@H](OC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000824821113 648657305 /nfs/dbraw/zinc/65/73/05/648657305.db2.gz UOCVYOZUQQMZPR-ZWNOBZJWSA-N 1 1 310.350 2.166 20 10 DECDMO COc1c(O)c(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000824821113 648657310 /nfs/dbraw/zinc/65/73/10/648657310.db2.gz UOCVYOZUQQMZPR-ZWNOBZJWSA-N 1 1 310.350 2.166 20 10 DECDMO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000824903192 648670112 /nfs/dbraw/zinc/67/01/12/648670112.db2.gz AZUQDXJJNJIOAI-QZTJIDSGSA-N 1 1 303.450 2.096 20 10 DECDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1cc(OC)c(OC)cc1O ZINC000825005457 648683707 /nfs/dbraw/zinc/68/37/07/648683707.db2.gz LJWCQRAMZMDTFN-CQSZACIVSA-N 1 1 308.422 2.326 20 10 DECDMO CC[C@@H]1CN(CC)CC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000825005457 648683709 /nfs/dbraw/zinc/68/37/09/648683709.db2.gz LJWCQRAMZMDTFN-CQSZACIVSA-N 1 1 308.422 2.326 20 10 DECDMO CC[C@@H]1CN(CC)CC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000825005457 648683711 /nfs/dbraw/zinc/68/37/11/648683711.db2.gz LJWCQRAMZMDTFN-CQSZACIVSA-N 1 1 308.422 2.326 20 10 DECDMO COc1cccc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124250 648707563 /nfs/dbraw/zinc/70/75/63/648707563.db2.gz KXSWGNWMEWRGQW-GWCFXTLKSA-N 1 1 305.296 2.146 20 10 DECDMO COc1c(O)c(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000825338380 648745406 /nfs/dbraw/zinc/74/54/06/648745406.db2.gz PQPATSBGHIQISO-CYBMUJFWSA-N 1 1 323.393 2.224 20 10 DECDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](N3CCOC3=O)C2)cc1 ZINC000826999915 648959453 /nfs/dbraw/zinc/95/94/53/648959453.db2.gz DLYGWDIPUNVVMN-LIMHQNJXSA-N 1 1 315.417 2.292 20 10 DECDMO Cc1cc(C[N@H+](C)[C@@H]2CCNC2=O)ccc1N1CCCCC1 ZINC000828511298 649189149 /nfs/dbraw/zinc/18/91/49/649189149.db2.gz MCAQEZFZXJZLHD-QGZVFWFLSA-N 1 1 301.434 2.306 20 10 DECDMO COc1ccc(N(C)CC[N@H+](C)CC(=O)N[C@H](C)C(C)C)cc1 ZINC000844398780 651122897 /nfs/dbraw/zinc/12/28/97/651122897.db2.gz CHVRUYGKONQZIQ-OAHLLOKOSA-N 1 1 321.465 2.224 20 10 DECDMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)N[C@H](C)C(C)C)cc1 ZINC000844398780 651122898 /nfs/dbraw/zinc/12/28/98/651122898.db2.gz CHVRUYGKONQZIQ-OAHLLOKOSA-N 1 1 321.465 2.224 20 10 DECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000844471695 651133150 /nfs/dbraw/zinc/13/31/50/651133150.db2.gz RBIUUPXPNQEHBD-MRXNPFEDSA-N 1 1 323.387 2.100 20 10 DECDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C1CC1 ZINC000844478747 651134453 /nfs/dbraw/zinc/13/44/53/651134453.db2.gz JKIZWRBHSIRLDH-DLBZAZTESA-N 1 1 302.418 2.384 20 10 DECDMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H](CC)CO1 ZINC000844722229 651160458 /nfs/dbraw/zinc/16/04/58/651160458.db2.gz DTLMKUROUKNXHC-ZENOOKHLSA-N 1 1 307.390 2.207 20 10 DECDMO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000844981172 651190039 /nfs/dbraw/zinc/19/00/39/651190039.db2.gz RLOQXFVFICHAEI-LBPRGKRZSA-N 1 1 309.797 2.082 20 10 DECDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000846920848 651361987 /nfs/dbraw/zinc/36/19/87/651361987.db2.gz LJTULKMDXPGBAS-ZDUSSCGKSA-N 1 1 324.808 2.301 20 10 DECDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000846920848 651361989 /nfs/dbraw/zinc/36/19/89/651361989.db2.gz LJTULKMDXPGBAS-ZDUSSCGKSA-N 1 1 324.808 2.301 20 10 DECDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000846989637 651367311 /nfs/dbraw/zinc/36/73/11/651367311.db2.gz SYEPIEFALBXKPN-OWNNVSBGSA-N 1 1 304.390 2.054 20 10 DECDMO CN(C)c1ccc(C[N@H+](C)Cn2cc(-c3ccncn3)cn2)cc1 ZINC000848473998 651461075 /nfs/dbraw/zinc/46/10/75/651461075.db2.gz TXLLCWKDFBDWEF-UHFFFAOYSA-N 1 1 322.416 2.496 20 10 DECDMO CN(C)c1ccc(C[N@@H+](C)Cn2cc(-c3ccncn3)cn2)cc1 ZINC000848473998 651461076 /nfs/dbraw/zinc/46/10/76/651461076.db2.gz TXLLCWKDFBDWEF-UHFFFAOYSA-N 1 1 322.416 2.496 20 10 DECDMO Nc1ccc(CCNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848603502 651477876 /nfs/dbraw/zinc/47/78/76/651477876.db2.gz PLLIHGOVQXJHHH-IAGOWNOFSA-N 1 1 316.449 2.127 20 10 DECDMO CCc1cccc(C[N@@H+]2CCc3nn(CC)c(=O)cc3C2)c1O ZINC000848888685 651546464 /nfs/dbraw/zinc/54/64/64/651546464.db2.gz AKCNAVNSCYOHQE-UHFFFAOYSA-N 1 1 313.401 2.090 20 10 DECDMO COc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000109768937 652071468 /nfs/dbraw/zinc/07/14/68/652071468.db2.gz GYWVMCPMVVUPMV-UHFFFAOYSA-N 1 1 300.358 2.471 20 10 DECDMO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109768937 652071470 /nfs/dbraw/zinc/07/14/70/652071470.db2.gz GYWVMCPMVVUPMV-UHFFFAOYSA-N 1 1 300.358 2.471 20 10 DECDMO C[N@@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccccc1O ZINC000109772523 652072415 /nfs/dbraw/zinc/07/24/15/652072415.db2.gz QOFNORFJENKISR-UHFFFAOYSA-N 1 1 316.376 2.322 20 10 DECDMO COc1ccc(N(C)CC[N@@H+](C)CCO[C@@H]2CC2(F)F)cc1 ZINC000852210821 652364587 /nfs/dbraw/zinc/36/45/87/652364587.db2.gz BDASCNQMGPGYLZ-OAHLLOKOSA-N 1 1 314.376 2.487 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1 ZINC000852680184 652438338 /nfs/dbraw/zinc/43/83/38/652438338.db2.gz NQBFDLHAZISCGG-MRXNPFEDSA-N 1 1 301.434 2.197 20 10 DECDMO CCOc1ccc(N(C)C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1 ZINC000852844771 652467919 /nfs/dbraw/zinc/46/79/19/652467919.db2.gz KOGYLGYHNOOKQB-GFCCVEGCSA-N 1 1 314.389 2.162 20 10 DECDMO COc1ccc2ccc(O)c(C[N@@H+](C)C[C@@H]3COCCO3)c2c1 ZINC000853560642 652568381 /nfs/dbraw/zinc/56/83/81/652568381.db2.gz XQRVGDVHPLGUEV-OAHLLOKOSA-N 1 1 317.385 2.401 20 10 DECDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1C ZINC000853594030 652575683 /nfs/dbraw/zinc/57/56/83/652575683.db2.gz NSKUXOZGFNYAHZ-OAHLLOKOSA-N 1 1 302.418 2.453 20 10 DECDMO Cc1ccc(O)c(CNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000858596608 685565318 /nfs/dbraw/zinc/56/53/18/685565318.db2.gz GXZQDDDLGVGENY-AWEZNQCLSA-N 1 1 305.422 2.373 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000092660602 684044397 /nfs/dbraw/zinc/04/43/97/684044397.db2.gz GKTUEWNAMYRMST-ZDUSSCGKSA-N 1 1 306.406 2.268 20 10 DECDMO CO[C@@]1(C[NH2+]Cc2cccc(Br)c2O)CCOC1 ZINC000122880017 684119854 /nfs/dbraw/zinc/11/98/54/684119854.db2.gz JSCVKDPFPRLBKL-CYBMUJFWSA-N 1 1 316.195 2.050 20 10 DECDMO CCC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000129857482 684183060 /nfs/dbraw/zinc/18/30/60/684183060.db2.gz XHIPBSPNKUGFKJ-MRXNPFEDSA-N 1 1 310.463 2.152 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000246485227 685131329 /nfs/dbraw/zinc/13/13/29/685131329.db2.gz JVJBIMPBFKPHFF-ZBFHGGJFSA-N 1 1 307.390 2.089 20 10 DECDMO O=C(NCc1ccc2cccnc2c1O)[C@H]1CCC[N@H+]1C1CC1 ZINC000862026219 686225501 /nfs/dbraw/zinc/22/55/01/686225501.db2.gz IVMFBXCEGGKMNB-OAHLLOKOSA-N 1 1 311.385 2.183 20 10 DECDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862310605 686276338 /nfs/dbraw/zinc/27/63/38/686276338.db2.gz ZRKWMKFNQQAHMB-ZJUUUORDSA-N 1 1 300.196 2.357 20 10 DECDMO FCC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000862530532 686315043 /nfs/dbraw/zinc/31/50/43/686315043.db2.gz OEFHQOHJEMYWAO-QGZVFWFLSA-N 1 1 308.397 2.084 20 10 DECDMO FCC[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000862530532 686315052 /nfs/dbraw/zinc/31/50/52/686315052.db2.gz OEFHQOHJEMYWAO-QGZVFWFLSA-N 1 1 308.397 2.084 20 10 DECDMO C[C@@H]([NH2+]CC1(N)CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000863541197 686518200 /nfs/dbraw/zinc/51/82/00/686518200.db2.gz JOQZEVBNZCKRKD-CYBMUJFWSA-N 1 1 304.434 2.430 20 10 DECDMO Cc1nnc(CC[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000929971110 694061598 /nfs/dbraw/zinc/06/15/98/694061598.db2.gz MAJYNUFPQKFVLE-OAHLLOKOSA-N 1 1 317.389 2.307 20 10 DECDMO CN(C)c1ccc(/C=C/CN[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1 ZINC000865659335 687292846 /nfs/dbraw/zinc/29/28/46/687292846.db2.gz HNTKFVFSBLNVDR-RTRPANQVSA-N 1 1 317.477 2.201 20 10 DECDMO CN(C)c1ccc(/C=C/CN[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1 ZINC000865659335 687292848 /nfs/dbraw/zinc/29/28/48/687292848.db2.gz HNTKFVFSBLNVDR-RTRPANQVSA-N 1 1 317.477 2.201 20 10 DECDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)[C@H](C)O1 ZINC000865690333 687303521 /nfs/dbraw/zinc/30/35/21/687303521.db2.gz YHULBBHHIBBHTF-VKJFTORMSA-N 1 1 303.450 2.094 20 10 DECDMO Cc1[nH+]ccn1CCCNC(=O)N[C@H](C)c1ccccc1O ZINC000868096614 687909035 /nfs/dbraw/zinc/90/90/35/687909035.db2.gz RFJGTMQIGJYHDO-GFCCVEGCSA-N 1 1 302.378 2.348 20 10 DECDMO CC[N@H+]1CCCN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000930711900 694223493 /nfs/dbraw/zinc/22/34/93/694223493.db2.gz OYFQYGAGUOGKMU-KRWDZBQOSA-N 1 1 317.477 2.439 20 10 DECDMO CCN1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000930711900 694223495 /nfs/dbraw/zinc/22/34/95/694223495.db2.gz OYFQYGAGUOGKMU-KRWDZBQOSA-N 1 1 317.477 2.439 20 10 DECDMO CCN1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000930711900 694223498 /nfs/dbraw/zinc/22/34/98/694223498.db2.gz OYFQYGAGUOGKMU-KRWDZBQOSA-N 1 1 317.477 2.439 20 10 DECDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1Cc2cccc(O)c2C1 ZINC000875092238 689570140 /nfs/dbraw/zinc/57/01/40/689570140.db2.gz PVECBCSZKTUCBD-KBPBESRZSA-N 1 1 301.390 2.044 20 10 DECDMO Cc1cccc(O)c1C[N@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000876567553 689859596 /nfs/dbraw/zinc/85/95/96/689859596.db2.gz AITLFENHYZAAND-INIZCTEOSA-N 1 1 304.434 2.387 20 10 DECDMO Cc1cccc(O)c1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000876567553 689859599 /nfs/dbraw/zinc/85/95/99/689859599.db2.gz AITLFENHYZAAND-INIZCTEOSA-N 1 1 304.434 2.387 20 10 DECDMO Cc1cccc(O)c1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000876567553 689859602 /nfs/dbraw/zinc/85/96/02/689859602.db2.gz AITLFENHYZAAND-INIZCTEOSA-N 1 1 304.434 2.387 20 10 DECDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000876583687 689865625 /nfs/dbraw/zinc/86/56/25/689865625.db2.gz NPSRWFWLIDBGHE-HNNXBMFYSA-N 1 1 302.418 2.439 20 10 DECDMO CC(C)[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H](C)O ZINC000876697316 689906392 /nfs/dbraw/zinc/90/63/92/689906392.db2.gz SFFXLDRYNWKQGU-HNNXBMFYSA-N 1 1 306.450 2.239 20 10 DECDMO Cc1cccc(O)c1C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000876734384 689920679 /nfs/dbraw/zinc/92/06/79/689920679.db2.gz FFCTYROYNUDNFY-GFCCVEGCSA-N 1 1 316.323 2.296 20 10 DECDMO Cc1cccc(O)c1C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000877559778 690152371 /nfs/dbraw/zinc/15/23/71/690152371.db2.gz VSJQEKDDAWNKMP-CYBMUJFWSA-N 1 1 324.421 2.018 20 10 DECDMO COc1c(O)c(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000877738847 690210604 /nfs/dbraw/zinc/21/06/04/690210604.db2.gz QFZCPJDNYFRIFZ-VXGBXAGGSA-N 1 1 324.402 2.494 20 10 DECDMO COc1c(O)c(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000877738847 690210607 /nfs/dbraw/zinc/21/06/07/690210607.db2.gz QFZCPJDNYFRIFZ-VXGBXAGGSA-N 1 1 324.402 2.494 20 10 DECDMO C[N@@H+](CCN1CC2(C1)CCOCC2)Cc1cc(F)ccc1O ZINC000877765972 690219983 /nfs/dbraw/zinc/21/99/83/690219983.db2.gz NMBTVOZYIZOEHK-UHFFFAOYSA-N 1 1 308.397 2.076 20 10 DECDMO CN(CC[NH+]1CC2(C1)CCOCC2)Cc1cc(F)ccc1O ZINC000877765972 690219985 /nfs/dbraw/zinc/21/99/85/690219985.db2.gz NMBTVOZYIZOEHK-UHFFFAOYSA-N 1 1 308.397 2.076 20 10 DECDMO CNC(=O)C[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000877771979 690220883 /nfs/dbraw/zinc/22/08/83/690220883.db2.gz IFENDZJLMFVDQG-UHFFFAOYSA-N 1 1 314.385 2.149 20 10 DECDMO CNC(=O)C[N@@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000877771979 690220886 /nfs/dbraw/zinc/22/08/86/690220886.db2.gz IFENDZJLMFVDQG-UHFFFAOYSA-N 1 1 314.385 2.149 20 10 DECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc[nH]c(=O)c1 ZINC000877921432 690260685 /nfs/dbraw/zinc/26/06/85/690260685.db2.gz HMVWKHLEWMOYCG-UHFFFAOYSA-N 1 1 313.401 2.256 20 10 DECDMO CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1O ZINC000879571549 690676323 /nfs/dbraw/zinc/67/63/23/690676323.db2.gz BQXPXDKDCDNYGR-BLLLJJGKSA-N 1 1 306.381 2.260 20 10 DECDMO Cc1cc(=O)n2nc(C[NH2+][C@H](C)c3ccccc3O)sc2n1 ZINC000879649806 690699323 /nfs/dbraw/zinc/69/93/23/690699323.db2.gz UVZYDMSYUURPHF-SNVBAGLBSA-N 1 1 316.386 2.016 20 10 DECDMO CCc1[nH+]ccn1Cc1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272069 691059988 /nfs/dbraw/zinc/05/99/88/691059988.db2.gz KZXRSYRTIHQHAB-UHFFFAOYSA-N 1 1 310.405 2.200 20 10 DECDMO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883167285 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COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886594042 692123417 /nfs/dbraw/zinc/12/34/17/692123417.db2.gz FFAGQNLOESAZAQ-NJZAAPMLSA-N 1 1 313.369 2.002 20 10 DECDMO C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1c([O-])cccc1F ZINC000886607189 692130994 /nfs/dbraw/zinc/13/09/94/692130994.db2.gz MEPVZMAHGAYXST-ZDUSSCGKSA-N 1 1 309.429 2.208 20 10 DECDMO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1c(O)cccc1F ZINC000886636648 692142727 /nfs/dbraw/zinc/14/27/27/692142727.db2.gz RSQVFRRGAMORMM-FHZGZLOMSA-N 1 1 313.316 2.493 20 10 DECDMO C[C@H]([NH2+]CCN1CCNC1=O)c1cc(Cl)c(Cl)cc1O ZINC000886744638 692181007 /nfs/dbraw/zinc/18/10/07/692181007.db2.gz CLIJTPILFFWDKU-QMMMGPOBSA-N 1 1 318.204 2.375 20 10 DECDMO CC(C)[N@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863363 692319891 /nfs/dbraw/zinc/31/98/91/692319891.db2.gz XVXKONLBIOFCMK-MRXNPFEDSA-N 1 1 317.393 2.452 20 10 DECDMO CC(C)[N@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863362 692319964 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DECDMO CC1(N2CCOCC2)CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137839241 796145308 /nfs/dbraw/zinc/14/53/08/796145308.db2.gz XXPLNXQEJKLALW-UHFFFAOYSA-N 1 1 308.397 2.218 20 10 DECDMO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(F)c3O)C[C@H]21 ZINC001138123673 796166231 /nfs/dbraw/zinc/16/62/31/796166231.db2.gz GFTOBWXYDNTCPC-IMRBUKKESA-N 1 1 322.380 2.486 20 10 DECDMO CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@H]21 ZINC001138123673 796166237 /nfs/dbraw/zinc/16/62/37/796166237.db2.gz GFTOBWXYDNTCPC-IMRBUKKESA-N 1 1 322.380 2.486 20 10 DECDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001138131120 796167852 /nfs/dbraw/zinc/16/78/52/796167852.db2.gz QTRSSXKSMSUOII-ZDUSSCGKSA-N 1 1 303.337 2.365 20 10 DECDMO Oc1c(F)cccc1C[N@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001138131120 796167858 /nfs/dbraw/zinc/16/78/58/796167858.db2.gz QTRSSXKSMSUOII-ZDUSSCGKSA-N 1 1 303.337 2.365 20 10 DECDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337859 796198681 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CC(=O)N1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C[C@@H]1C ZINC001138359365 796205724 /nfs/dbraw/zinc/20/57/24/796205724.db2.gz SCUFADOHINLEKE-AWEZNQCLSA-N 1 1 301.434 2.122 20 10 DECDMO CC(=O)N1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C[C@@H]1C ZINC001138359365 796205728 /nfs/dbraw/zinc/20/57/28/796205728.db2.gz SCUFADOHINLEKE-AWEZNQCLSA-N 1 1 301.434 2.122 20 10 DECDMO COc1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(OC)n1 ZINC001139236948 796347965 /nfs/dbraw/zinc/34/79/65/796347965.db2.gz JMBLZKVJBVJMHM-UHFFFAOYSA-N 1 1 316.405 2.192 20 10 DECDMO COc1ncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(OC)n1 ZINC001139236948 796347968 /nfs/dbraw/zinc/34/79/68/796347968.db2.gz JMBLZKVJBVJMHM-UHFFFAOYSA-N 1 1 316.405 2.192 20 10 DECDMO C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@H]3C[C@@H]4F)cc2)CC1 ZINC001139413466 796372370 /nfs/dbraw/zinc/37/23/70/796372370.db2.gz UTOVGIPSTMNVLU-SZMVWBNQSA-N 1 1 303.425 2.371 20 10 DECDMO CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3C[C@@H]4F)cc2)CC1 ZINC001139413466 796372375 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C[C@@H]1CNC[C@@H](C)[NH+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001236102395 1084613124 /nfs/dbraw/zinc/61/31/24/1084613124.db2.gz LARIVLSJOGREFJ-ZIAGYGMSSA-N 1 1 315.461 2.273 20 10 DECDMO C[N@H+]1CCCC2(CC[NH+](Cc3cc(C(=O)[O-])ccc3O)CC2)C1 ZINC001276055368 1091493299 /nfs/dbraw/zinc/49/32/99/1091493299.db2.gz GOKOIDSUGXCORE-UHFFFAOYSA-N 1 1 318.417 2.398 20 10 DECDMO Oc1cc(O)c(CN2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)c(O)c1 ZINC001275112840 1091562069 /nfs/dbraw/zinc/56/20/69/1091562069.db2.gz ULPZMMDURGJFPE-HOTGVXAUSA-N 1 1 318.417 2.395 20 10 DECDMO CC(C)NC(=O)N1CC2(C1)C[NH+](Cc1cc(Cl)ccc1O)C2 ZINC001275276598 1091648134 /nfs/dbraw/zinc/64/81/34/1091648134.db2.gz MBEJCQOPWHJWFR-UHFFFAOYSA-N 1 1 323.824 2.281 20 10 DECDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@H]2CC1 ZINC001275731092 1092050713 /nfs/dbraw/zinc/05/07/13/1092050713.db2.gz COLOHMRGZLYOHX-PHIMTYICSA-N 1 1 324.808 2.165 20 10 DECDMO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(O)c(O)c(Cl)c3)C[C@H]2CC1 ZINC001275731092 1092050726 /nfs/dbraw/zinc/05/07/26/1092050726.db2.gz COLOHMRGZLYOHX-PHIMTYICSA-N 1 1 324.808 2.165 20 10 DECDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3C)cc1 ZINC001275833802 1092197515 /nfs/dbraw/zinc/19/75/15/1092197515.db2.gz RDJOGQBYOKNVHJ-HDICACEKSA-N 1 1 303.450 2.048 20 10 DECDMO C[C@@H]1CC[N@@H+](Cc2cc(O)c(Br)cc2O)C[C@@H]1O ZINC001236764203 1138417498 /nfs/dbraw/zinc/41/74/98/1138417498.db2.gz CXCLGEPMHXEQFY-OQPBUACISA-N 1 1 316.195 2.063 20 10 DECDMO COc1cc(O)c(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)cc1OC ZINC001236750556 1138407847 /nfs/dbraw/zinc/40/78/47/1138407847.db2.gz RYTWJHZREPBGJX-SJCJKPOMSA-N 1 1 309.406 2.392 20 10 DECDMO CC[N@@H+](CCCC(=O)OC)Cc1cc(OC)c(OC)cc1O ZINC001236749458 1138407966 /nfs/dbraw/zinc/40/79/66/1138407966.db2.gz FOLRWXPWALNRHY-UHFFFAOYSA-N 1 1 311.378 2.185 20 10 DECDMO COc1cc(O)c(C[N@H+]2CCCC[C@](O)(CF)C2)cc1OC ZINC001236749368 1138408292 /nfs/dbraw/zinc/40/82/92/1138408292.db2.gz CHWAZJLHLOURRD-INIZCTEOSA-N 1 1 313.369 2.096 20 10 DECDMO COc1cc(O)c(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)cc1OC ZINC001236750557 1138408458 /nfs/dbraw/zinc/40/84/58/1138408458.db2.gz RYTWJHZREPBGJX-SJKOYZFVSA-N 1 1 309.406 2.392 20 10 DECDMO CC[N@@H+](CCn1ccnc1)Cc1cc(OC)c(OC)cc1O ZINC001236753301 1138409147 /nfs/dbraw/zinc/40/91/47/1138409147.db2.gz KNOIFCPFGJQDGV-UHFFFAOYSA-N 1 1 305.378 2.128 20 10 DECDMO COc1cc(O)c(CN2CC[C@@H]([N@@H+](C)C3CC3)C2)cc1OC ZINC001236757252 1138412135 /nfs/dbraw/zinc/41/21/35/1138412135.db2.gz JGRWAFATZWVROE-CQSZACIVSA-N 1 1 306.406 2.078 20 10 DECDMO COc1cc(O)c(C[N@@H+]2CC[C@@H](N(C)C3CC3)C2)cc1OC ZINC001236757252 1138412151 /nfs/dbraw/zinc/41/21/51/1138412151.db2.gz JGRWAFATZWVROE-CQSZACIVSA-N 1 1 306.406 2.078 20 10 DECDMO COc1cc(O)c(C[N@H+]2CC[C@@H](N(C)C3CC3)C2)cc1OC ZINC001236757252 1138412168 /nfs/dbraw/zinc/41/21/68/1138412168.db2.gz JGRWAFATZWVROE-CQSZACIVSA-N 1 1 306.406 2.078 20 10 DECDMO C[C@@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)C[C@@H]1O ZINC001236764203 1138417488 /nfs/dbraw/zinc/41/74/88/1138417488.db2.gz CXCLGEPMHXEQFY-OQPBUACISA-N 1 1 316.195 2.063 20 10 DECDMO O=C1NCC[C@]12CC[N@@H+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236789722 1138428589 /nfs/dbraw/zinc/42/85/89/1138428589.db2.gz IGTLBRDPPDUPMX-CQSZACIVSA-N 1 1 315.200 2.411 20 10 DECDMO O=C1NCC[C@]12CC[N@H+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236789722 1138428599 /nfs/dbraw/zinc/42/85/99/1138428599.db2.gz IGTLBRDPPDUPMX-CQSZACIVSA-N 1 1 315.200 2.411 20 10 DECDMO COc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c(O)c1 ZINC001236812538 1138436250 /nfs/dbraw/zinc/43/62/50/1138436250.db2.gz BDMRQULHHVEIIZ-CJNGLKHVSA-N 1 1 318.417 2.152 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCOC3(CCOCC3)C2)c(O)c1 ZINC001236821754 1138439659 /nfs/dbraw/zinc/43/96/59/1138439659.db2.gz TZNRFLXKLSBZBA-UHFFFAOYSA-N 1 1 307.390 2.091 20 10 DECDMO C[N@@H+](CCN1CCOCC1)Cc1cc2ccccc2cc1O ZINC001236827929 1138440739 /nfs/dbraw/zinc/44/07/39/1138440739.db2.gz WZRPQEHSKQYNGG-UHFFFAOYSA-N 1 1 300.402 2.309 20 10 DECDMO Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCCOCC1 ZINC001236928570 1138458235 /nfs/dbraw/zinc/45/82/35/1138458235.db2.gz NDBNQGQWSTUBIA-UHFFFAOYSA-N 1 1 310.825 2.399 20 10 DECDMO Clc1cc(N2CCOCC2)ccc1C[N@H+]1CCCOCC1 ZINC001236928570 1138458244 /nfs/dbraw/zinc/45/82/44/1138458244.db2.gz NDBNQGQWSTUBIA-UHFFFAOYSA-N 1 1 310.825 2.399 20 10 DECDMO CCOc1ccc(C[N@@H+](C)[C@H]2CCCN(C(C)=O)C2)c(O)c1 ZINC001237047195 1138488376 /nfs/dbraw/zinc/48/83/76/1138488376.db2.gz UYRHVBSUSSBUQX-HNNXBMFYSA-N 1 1 306.406 2.234 20 10 DECDMO C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C[C@@H]1O ZINC001237053023 1138490700 /nfs/dbraw/zinc/49/07/00/1138490700.db2.gz GXJYCKAECJBDEM-ZANVPECISA-N 1 1 305.296 2.146 20 10 DECDMO OC[C@@]1(F)CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237053476 1138491766 /nfs/dbraw/zinc/49/17/66/1138491766.db2.gz MLBUWERQCZYNCO-CYBMUJFWSA-N 1 1 323.286 2.240 20 10 DECDMO NC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078822 1138501024 /nfs/dbraw/zinc/50/10/24/1138501024.db2.gz XHUYTXDCTGTTDV-MRVPVSSYSA-N 1 1 303.189 2.396 20 10 DECDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078822 1138501030 /nfs/dbraw/zinc/50/10/30/1138501030.db2.gz XHUYTXDCTGTTDV-MRVPVSSYSA-N 1 1 303.189 2.396 20 10 DECDMO Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC001237641097 1138730164 /nfs/dbraw/zinc/73/01/64/1138730164.db2.gz LWYZHBNLKOCOJI-KRWDZBQOSA-N 1 1 317.360 2.391 20 10 DECDMO COc1cc(C[N@@H+]2CCc3ccncc3C2)c(O)c(OC)c1 ZINC001237679684 1138754834 /nfs/dbraw/zinc/75/48/34/1138754834.db2.gz XRSCOGBAZIZZPS-UHFFFAOYSA-N 1 1 300.358 2.363 20 10 DECDMO COc1cc(C[N@H+]2CCc3ccncc3C2)c(O)c(OC)c1 ZINC001237679684 1138754853 /nfs/dbraw/zinc/75/48/53/1138754853.db2.gz XRSCOGBAZIZZPS-UHFFFAOYSA-N 1 1 300.358 2.363 20 10 DECDMO COc1cc(C[N@H+]2CC[C@H](c3nc(C)no3)C2)c(O)c(OC)c1 ZINC001237680344 1138756296 /nfs/dbraw/zinc/75/62/96/1138756296.db2.gz JDTVBJOVTSNOOB-NSHDSACASA-N 1 1 319.361 2.090 20 10 DECDMO COC[C@H]1Cn2ccnc2C[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238061600 1138819313 /nfs/dbraw/zinc/81/93/13/1138819313.db2.gz ONWVNJAJNPCBEM-CYBMUJFWSA-N 1 1 319.380 2.315 20 10 DECDMO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238061600 1138819314 /nfs/dbraw/zinc/81/93/14/1138819314.db2.gz ONWVNJAJNPCBEM-CYBMUJFWSA-N 1 1 319.380 2.315 20 10 DECDMO CC[NH+](CC)CCN1CCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238055674 1138819365 /nfs/dbraw/zinc/81/93/65/1138819365.db2.gz BRGWKWWEACRWDZ-UHFFFAOYSA-N 1 1 323.456 2.299 20 10 DECDMO Cc1cnc(N2CC[NH+](Cc3cc(F)cc(C)c3O)CC2)nc1 ZINC001238067382 1138819776 /nfs/dbraw/zinc/81/97/76/1138819776.db2.gz SVSBLEKZQIGWSJ-UHFFFAOYSA-N 1 1 316.380 2.260 20 10 DECDMO Cn1ccc2c1cc[nH+]c2-c1ccc(C(=O)N2CCOCC2)nc1 ZINC001242652948 1140012231 /nfs/dbraw/zinc/01/22/31/1140012231.db2.gz VVZITVOZEBMPOB-UHFFFAOYSA-N 1 1 322.368 2.108 20 10 DECDMO COC(=O)Cc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)OC)c(O)c1 ZINC001249201109 1141858951 /nfs/dbraw/zinc/85/89/51/1141858951.db2.gz GAQISEFPFYZLKH-MRXNPFEDSA-N 1 1 321.417 2.497 20 10 DECDMO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C(N)=O)c1ccccn1 ZINC001324601263 1142139230 /nfs/dbraw/zinc/13/92/30/1142139230.db2.gz IHDMDDHIYFGGQO-NDGTYSDOSA-N 1 1 311.385 2.460 20 10 DECDMO CCc1nsc(N2CC[NH+](Cc3ccc(N)cc3)CC2)n1 ZINC001336116162 1142361422 /nfs/dbraw/zinc/36/14/22/1142361422.db2.gz CCHLDFPFVQIRGA-UHFFFAOYSA-N 1 1 303.435 2.005 20 10 DECDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001337001544 1142652550 /nfs/dbraw/zinc/65/25/50/1142652550.db2.gz VFBACWKIYJRTIB-GDBMZVCRSA-N 1 1 301.434 2.373 20 10 DECDMO C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(Cl)c1O ZINC001341466681 1143607048 /nfs/dbraw/zinc/60/70/48/1143607048.db2.gz PKBDNUJACOXBOZ-GFCCVEGCSA-N 1 1 311.813 2.329 20 10 DECDMO C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)[C@@H](C)C[N@H+]1CCO ZINC001261376502 1144240079 /nfs/dbraw/zinc/24/00/79/1144240079.db2.gz PZZCEICWLCIAQO-SJORKVTESA-N 1 1 317.477 2.174 20 10 DECDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)[C@@H](C)CN1CCO ZINC001261376502 1144240083 /nfs/dbraw/zinc/24/00/83/1144240083.db2.gz PZZCEICWLCIAQO-SJORKVTESA-N 1 1 317.477 2.174 20 10 DECDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@@H](C)CN1CCO ZINC001261376502 1144240087 /nfs/dbraw/zinc/24/00/87/1144240087.db2.gz PZZCEICWLCIAQO-SJORKVTESA-N 1 1 317.477 2.174 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c(O)c1 ZINC001308577719 1147481037 /nfs/dbraw/zinc/48/10/37/1147481037.db2.gz JMAOIPHWRNZIST-OAHLLOKOSA-N 1 1 320.433 2.006 20 10 DECDMO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1 ZINC000375466360 529780530 /nfs/dbraw/zinc/78/05/30/529780530.db2.gz CNDZRIPVGDNUEG-DLBZAZTESA-N 1 1 302.418 2.323 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1 ZINC000375466360 529780531 /nfs/dbraw/zinc/78/05/31/529780531.db2.gz CNDZRIPVGDNUEG-DLBZAZTESA-N 1 1 302.418 2.323 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(OC)c2)c1 ZINC000273299323 130104981 /nfs/dbraw/zinc/10/49/81/130104981.db2.gz AXJQZRXNKQWAHK-LLVKDONJSA-N 1 1 316.357 2.433 20 10 DECDMO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc2c(cc1O)CCCC2 ZINC000273424113 130120159 /nfs/dbraw/zinc/12/01/59/130120159.db2.gz SWFMSIAGGZOGRA-RHSMWYFYSA-N 1 1 318.461 2.378 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000273550473 130135433 /nfs/dbraw/zinc/13/54/33/130135433.db2.gz FVWAOJHCXNRLQM-WDEREUQCSA-N 1 1 303.362 2.324 20 10 DECDMO CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000284055956 131044076 /nfs/dbraw/zinc/04/40/76/131044076.db2.gz JWBAQLRNZOQLSY-AWEZNQCLSA-N 1 1 311.447 2.429 20 10 DECDMO CC[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1O ZINC000286932569 131256916 /nfs/dbraw/zinc/25/69/16/131256916.db2.gz GJAUQZDONXZACS-FZMZJTMJSA-N 1 1 315.410 2.397 20 10 DECDMO [O-]c1cccc(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000113340814 401776886 /nfs/dbraw/zinc/77/68/86/401776886.db2.gz BJOXSHWUCVRBCE-ZDUSSCGKSA-N 1 1 312.841 2.372 20 10 DECDMO [O-]c1cccc(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000113340814 401776888 /nfs/dbraw/zinc/77/68/88/401776888.db2.gz BJOXSHWUCVRBCE-ZDUSSCGKSA-N 1 1 312.841 2.372 20 10 DECDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)COCc1ccccc1 ZINC000121149568 402017482 /nfs/dbraw/zinc/01/74/82/402017482.db2.gz JKDNCQXYDHSXIV-QGZVFWFLSA-N 1 1 301.386 2.402 20 10 DECDMO COc1cccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1O ZINC000093691452 402019745 /nfs/dbraw/zinc/01/97/45/402019745.db2.gz CNTZYHHAMGOGJT-HNNXBMFYSA-N 1 1 300.358 2.449 20 10 DECDMO CNC(=O)CCC[N@@H+](C)Cc1cc(Br)ccc1O ZINC000093717293 402019847 /nfs/dbraw/zinc/01/98/47/402019847.db2.gz YLAJTPLUDFMRAE-UHFFFAOYSA-N 1 1 315.211 2.113 20 10 DECDMO CCCOc1ccc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c(O)c1 ZINC000093809080 402020455 /nfs/dbraw/zinc/02/04/55/402020455.db2.gz YWPACJHUQYYECA-CYBMUJFWSA-N 1 1 306.406 2.268 20 10 DECDMO Cc1nn(C)cc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121292599 402026064 /nfs/dbraw/zinc/02/60/64/402026064.db2.gz SVQHRGVHLOAHLN-UHFFFAOYSA-N 1 1 314.433 2.197 20 10 DECDMO Oc1ccccc1C[N@@H+](CCn1ccnc1)C[C@H]1CCCO1 ZINC000123510491 402131451 /nfs/dbraw/zinc/13/14/51/402131451.db2.gz DWNUEXNLURBWFZ-MRXNPFEDSA-N 1 1 301.390 2.270 20 10 DECDMO Cn1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000070976685 402268667 /nfs/dbraw/zinc/26/86/67/402268667.db2.gz PHNVBFSNVGIMOE-MRXNPFEDSA-N 1 1 301.390 2.307 20 10 DECDMO COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000179129675 402574547 /nfs/dbraw/zinc/57/45/47/402574547.db2.gz CZIGMBWFROSUMP-CYBMUJFWSA-N 1 1 309.337 2.261 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c1 ZINC000179755725 402599771 /nfs/dbraw/zinc/59/97/71/402599771.db2.gz YNMASQIROPXHKJ-LBPRGKRZSA-N 1 1 303.362 2.472 20 10 DECDMO C=Cn1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000193639266 402774229 /nfs/dbraw/zinc/77/42/29/402774229.db2.gz UERMZVWYIYRNGU-UHFFFAOYSA-N 1 1 312.417 2.452 20 10 DECDMO COCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278302525 402863095 /nfs/dbraw/zinc/86/30/95/402863095.db2.gz WBNBSKPPDMBKMS-UHFFFAOYSA-N 1 1 310.350 2.167 20 10 DECDMO CCOC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C(C)C ZINC000278400687 402863918 /nfs/dbraw/zinc/86/39/18/402863918.db2.gz ODVBDAUXPYLIFL-LBPRGKRZSA-N 1 1 312.366 2.460 20 10 DECDMO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278473378 402866268 /nfs/dbraw/zinc/86/62/68/402866268.db2.gz HVYNKFYFCIICEY-ZDUSSCGKSA-N 1 1 312.366 2.196 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@@H](OC)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000278501746 402867088 /nfs/dbraw/zinc/86/70/88/402867088.db2.gz NXPDVZGUHNMTCZ-GFCCVEGCSA-N 1 1 312.366 2.460 20 10 DECDMO CCN1CCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278833759 402876718 /nfs/dbraw/zinc/87/67/18/402876718.db2.gz JBWJXMIUZOCNPJ-CYBMUJFWSA-N 1 1 323.393 2.273 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000271793689 402884443 /nfs/dbraw/zinc/88/44/43/402884443.db2.gz JRHWDJFCWQKTIB-LBPRGKRZSA-N 1 1 302.378 2.207 20 10 DECDMO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c1 ZINC000271793689 402884445 /nfs/dbraw/zinc/88/44/45/402884445.db2.gz JRHWDJFCWQKTIB-LBPRGKRZSA-N 1 1 302.378 2.207 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c1 ZINC000271793689 402884446 /nfs/dbraw/zinc/88/44/46/402884446.db2.gz JRHWDJFCWQKTIB-LBPRGKRZSA-N 1 1 302.378 2.207 20 10 DECDMO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000271793689 402884448 /nfs/dbraw/zinc/88/44/48/402884448.db2.gz JRHWDJFCWQKTIB-LBPRGKRZSA-N 1 1 302.378 2.207 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000271793689 402884449 /nfs/dbraw/zinc/88/44/49/402884449.db2.gz JRHWDJFCWQKTIB-LBPRGKRZSA-N 1 1 302.378 2.207 20 10 DECDMO CC1=CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000280710258 403028913 /nfs/dbraw/zinc/02/89/13/403028913.db2.gz DNGRWHWGKXQMRH-UHFFFAOYSA-N 1 1 301.434 2.363 20 10 DECDMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269045966 403123044 /nfs/dbraw/zinc/12/30/44/403123044.db2.gz NJAOOIDBOZTFLQ-DLBZAZTESA-N 1 1 323.433 2.159 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1F ZINC000276779288 403193277 /nfs/dbraw/zinc/19/32/77/403193277.db2.gz JAXZKWHPSXWYRO-AWEZNQCLSA-N 1 1 305.397 2.088 20 10 DECDMO CCNC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000293499321 403488248 /nfs/dbraw/zinc/48/82/48/403488248.db2.gz BIJUCBMAQPVJRV-SNVBAGLBSA-N 1 1 315.776 2.078 20 10 DECDMO Cc1cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)ccc1N(C)C ZINC000293571080 403507308 /nfs/dbraw/zinc/50/73/08/403507308.db2.gz MYTPTAYWJLXHPW-MRXNPFEDSA-N 1 1 324.490 2.318 20 10 DECDMO Cc1cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)ccc1N(C)C ZINC000293571080 403507314 /nfs/dbraw/zinc/50/73/14/403507314.db2.gz MYTPTAYWJLXHPW-MRXNPFEDSA-N 1 1 324.490 2.318 20 10 DECDMO Oc1cc2c(cc1C[N@@H+]1C[C@]3(CCCO3)[C@@H]1C1CC1)OCO2 ZINC000294214143 403674060 /nfs/dbraw/zinc/67/40/60/403674060.db2.gz YKKVJJKJILCEOQ-DLBZAZTESA-N 1 1 303.358 2.264 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1C[C@]3(CCCO3)[C@@H]1C1CC1)OCO2 ZINC000294214143 403674066 /nfs/dbraw/zinc/67/40/66/403674066.db2.gz YKKVJJKJILCEOQ-DLBZAZTESA-N 1 1 303.358 2.264 20 10 DECDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000294529010 403721538 /nfs/dbraw/zinc/72/15/38/403721538.db2.gz DAEBWBPSHCSPNH-UHFFFAOYSA-N 1 1 314.788 2.139 20 10 DECDMO C[N@H+](Cc1cccc(S(C)(=O)=O)c1)Cc1ccccc1O ZINC000294720295 403726135 /nfs/dbraw/zinc/72/61/35/403726135.db2.gz GAHPNQSSZGEBBB-UHFFFAOYSA-N 1 1 305.399 2.428 20 10 DECDMO C[N@@H+](Cc1cccc(S(C)(=O)=O)c1)Cc1ccccc1O ZINC000294720295 403726141 /nfs/dbraw/zinc/72/61/41/403726141.db2.gz GAHPNQSSZGEBBB-UHFFFAOYSA-N 1 1 305.399 2.428 20 10 DECDMO OCCO[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295289861 403833171 /nfs/dbraw/zinc/83/31/71/403833171.db2.gz JDVLDEBYPACWMV-LLVKDONJSA-N 1 1 303.761 2.158 20 10 DECDMO OCCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000295289861 403833179 /nfs/dbraw/zinc/83/31/79/403833179.db2.gz JDVLDEBYPACWMV-LLVKDONJSA-N 1 1 303.761 2.158 20 10 DECDMO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C)[C@H](CO)C3)cc2)CC1 ZINC000296147985 404115643 /nfs/dbraw/zinc/11/56/43/404115643.db2.gz XTKBMHUGCAMIRH-WBVHZDCISA-N 1 1 318.461 2.362 20 10 DECDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000350058409 404308397 /nfs/dbraw/zinc/30/83/97/404308397.db2.gz DZGYBGNXXOCOJI-UHFFFAOYSA-N 1 1 314.433 2.334 20 10 DECDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000471737291 406113460 /nfs/dbraw/zinc/11/34/60/406113460.db2.gz PATBLNPASSIVRA-CQSZACIVSA-N 1 1 314.433 2.380 20 10 DECDMO C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000228726549 225208831 /nfs/dbraw/zinc/20/88/31/225208831.db2.gz OKADLWPXICXZBH-CYBMUJFWSA-N 1 1 307.221 2.101 20 10 DECDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000377241279 227185130 /nfs/dbraw/zinc/18/51/30/227185130.db2.gz QDXVZKMJPWIXNB-ROUUACIJSA-N 1 1 316.445 2.382 20 10 DECDMO C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000377887170 227204388 /nfs/dbraw/zinc/20/43/88/227204388.db2.gz DCILECXGYDMDLE-OAHLLOKOSA-N 1 1 301.434 2.387 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2cnc(C)cn2)c1 ZINC000834908674 649858923 /nfs/dbraw/zinc/85/89/23/649858923.db2.gz LDEKHPHWDVBPIK-LBPRGKRZSA-N 1 1 315.373 2.171 20 10 DECDMO CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2nncn2C)C(C)C)c1O ZINC000285300754 275501912 /nfs/dbraw/zinc/50/19/12/275501912.db2.gz HFXKRAJEDCMBDC-CQSZACIVSA-N 1 1 320.368 2.349 20 10 DECDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000279465144 278262995 /nfs/dbraw/zinc/26/29/95/278262995.db2.gz RNNAOVDLIMVRQC-AWEZNQCLSA-N 1 1 309.429 2.044 20 10 DECDMO NC(=O)c1c[nH+]ccc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000547279543 341203387 /nfs/dbraw/zinc/20/33/87/341203387.db2.gz SKPYJAUAHUSPKP-UHFFFAOYSA-N 1 1 319.368 2.351 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000835025160 649868150 /nfs/dbraw/zinc/86/81/50/649868150.db2.gz GFVVJLVYVBAJDA-DWTRPJMMSA-N 1 1 322.474 2.132 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000835025160 649868153 /nfs/dbraw/zinc/86/81/53/649868153.db2.gz GFVVJLVYVBAJDA-DWTRPJMMSA-N 1 1 322.474 2.132 20 10 DECDMO CC(C)C(=O)NCC[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835030239 649869148 /nfs/dbraw/zinc/86/91/48/649869148.db2.gz VWPSRSABPHCLOS-VOTSOKGWSA-N 1 1 303.450 2.470 20 10 DECDMO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000159825527 520893222 /nfs/dbraw/zinc/89/32/22/520893222.db2.gz VSURFHDXFKWYTM-INIZCTEOSA-N 1 1 310.463 2.152 20 10 DECDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000159825527 520893232 /nfs/dbraw/zinc/89/32/32/520893232.db2.gz VSURFHDXFKWYTM-INIZCTEOSA-N 1 1 310.463 2.152 20 10 DECDMO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000180197722 523179863 /nfs/dbraw/zinc/17/98/63/523179863.db2.gz IKLAIDYFPZOGCS-HIFRSBDPSA-N 1 1 315.410 2.319 20 10 DECDMO C[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000180197722 523179870 /nfs/dbraw/zinc/17/98/70/523179870.db2.gz IKLAIDYFPZOGCS-HIFRSBDPSA-N 1 1 315.410 2.319 20 10 DECDMO COc1ccc(O)c(C[NH+]2CCN(C3=NC[C@@H](C)S3)CC2)c1 ZINC000180448109 524740771 /nfs/dbraw/zinc/74/07/71/524740771.db2.gz DBFZAOOSFKCVHH-GFCCVEGCSA-N 1 1 321.446 2.010 20 10 DECDMO c1cc(N2CCCC2)ccc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC001355301369 1152000945 /nfs/dbraw/zinc/00/09/45/1152000945.db2.gz GVGZBNDJRHDRES-MRXNPFEDSA-N 1 1 302.418 2.482 20 10 DECDMO Cn1nccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160194948 622578808 /nfs/dbraw/zinc/57/88/08/622578808.db2.gz RCDMTQZYLQKLGQ-INIZCTEOSA-N 1 1 301.390 2.307 20 10 DECDMO COC(=O)[C@]1(F)CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160338445 623586581 /nfs/dbraw/zinc/58/65/81/623586581.db2.gz RBCYDKWWASYHCN-KRWDZBQOSA-N 1 1 307.365 2.358 20 10 DECDMO CN(C)c1ccc(CN2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931286779 625700135 /nfs/dbraw/zinc/70/01/35/625700135.db2.gz JPOBTDBXZKQDMN-UHFFFAOYSA-N 1 1 317.477 2.439 20 10 DECDMO C[N@H+](Cc1cc(Cl)ccc1O)CC(C)(C)S(C)(=O)=O ZINC000093772571 634421545 /nfs/dbraw/zinc/42/15/45/634421545.db2.gz VFKNYOAYKQZGSW-UHFFFAOYSA-N 1 1 305.827 2.301 20 10 DECDMO C[N@@H+](Cc1cc(Cl)ccc1O)CC(C)(C)S(C)(=O)=O ZINC000093772571 634421546 /nfs/dbraw/zinc/42/15/46/634421546.db2.gz VFKNYOAYKQZGSW-UHFFFAOYSA-N 1 1 305.827 2.301 20 10 DECDMO O=C(NCc1cccc(Cl)c1O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000893018132 625053584 /nfs/dbraw/zinc/05/35/84/625053584.db2.gz FEVPXJSGEWYSSD-LLVKDONJSA-N 1 1 309.797 2.082 20 10 DECDMO Cc1cc(N(C)C)ccc1CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000840933987 634779983 /nfs/dbraw/zinc/77/99/83/634779983.db2.gz LJXWOJODEMQPEX-ROUUACIJSA-N 1 1 303.450 2.014 20 10 DECDMO Cc1cc(N(C)C)ccc1CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000840933987 634779988 /nfs/dbraw/zinc/77/99/88/634779988.db2.gz LJXWOJODEMQPEX-ROUUACIJSA-N 1 1 303.450 2.014 20 10 DECDMO CC(C)O[C@]1(C[NH2+]Cc2cc(F)cc(F)c2O)CCOC1 ZINC000922606971 636276138 /nfs/dbraw/zinc/27/61/38/636276138.db2.gz BZLCOBXXGAZHGD-HNNXBMFYSA-N 1 1 301.333 2.344 20 10 DECDMO COc1ccc(C[NH2+]C(C)(C)c2nc(C)no2)c(O)c1OC ZINC000894298949 636745050 /nfs/dbraw/zinc/74/50/50/636745050.db2.gz JVYOYYWSKNSKIB-UHFFFAOYSA-N 1 1 307.350 2.126 20 10 DECDMO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c(O)c1OC ZINC000894306868 636773765 /nfs/dbraw/zinc/77/37/65/636773765.db2.gz VIVLKIRSDGRAIJ-KRWDZBQOSA-N 1 1 307.390 2.412 20 10 DECDMO COc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)c1OC ZINC000894417963 637027821 /nfs/dbraw/zinc/02/78/21/637027821.db2.gz XSTRAIJZICOOHH-YIONKMFJSA-N 1 1 320.433 2.466 20 10 DECDMO COc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1OC ZINC000894417963 637027827 /nfs/dbraw/zinc/02/78/27/637027827.db2.gz XSTRAIJZICOOHH-YIONKMFJSA-N 1 1 320.433 2.466 20 10 DECDMO COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c(O)c1OC ZINC000894417963 637027835 /nfs/dbraw/zinc/02/78/35/637027835.db2.gz XSTRAIJZICOOHH-YIONKMFJSA-N 1 1 320.433 2.466 20 10 DECDMO COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c(O)c1OC ZINC000894417963 637027838 /nfs/dbraw/zinc/02/78/38/637027838.db2.gz XSTRAIJZICOOHH-YIONKMFJSA-N 1 1 320.433 2.466 20 10 DECDMO C[C@@H]1CC[C@H](CN)[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000923425525 637170739 /nfs/dbraw/zinc/17/07/39/637170739.db2.gz ZTLNPZLGLRTBLZ-GPMSIDNRSA-N 1 1 317.477 2.471 20 10 DECDMO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000923425525 637170742 /nfs/dbraw/zinc/17/07/42/637170742.db2.gz ZTLNPZLGLRTBLZ-GPMSIDNRSA-N 1 1 317.477 2.471 20 10 DECDMO COc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c(O)c1OC ZINC000894886906 637295624 /nfs/dbraw/zinc/29/56/24/637295624.db2.gz CQBGWFQWYKDXKU-OAHLLOKOSA-N 1 1 307.390 2.410 20 10 DECDMO COc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c(O)c1OC ZINC000894886906 637295627 /nfs/dbraw/zinc/29/56/27/637295627.db2.gz CQBGWFQWYKDXKU-OAHLLOKOSA-N 1 1 307.390 2.410 20 10 DECDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000320137233 637726951 /nfs/dbraw/zinc/72/69/51/637726951.db2.gz DVKZYQIHFTXJSB-MRXNPFEDSA-N 1 1 324.808 2.206 20 10 DECDMO COc1c(O)c(C[NH2+]C2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000839167625 637807781 /nfs/dbraw/zinc/80/77/81/637807781.db2.gz HEKLIHJHMAPTJH-UHFFFAOYSA-N 1 1 310.350 2.356 20 10 DECDMO OCCOCC[N@H+](Cc1cc(F)cc(F)c1O)C1CCC1 ZINC000895269807 637872657 /nfs/dbraw/zinc/87/26/57/637872657.db2.gz FGQJFGFNADPRMP-UHFFFAOYSA-N 1 1 301.333 2.034 20 10 DECDMO OCCOCC[N@@H+](Cc1cc(F)cc(F)c1O)C1CCC1 ZINC000895269807 637872660 /nfs/dbraw/zinc/87/26/60/637872660.db2.gz FGQJFGFNADPRMP-UHFFFAOYSA-N 1 1 301.333 2.034 20 10 DECDMO COc1ccc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)c(O)c1OC ZINC000895321477 637924941 /nfs/dbraw/zinc/92/49/41/637924941.db2.gz QSPIBGASWCNPTN-QGZVFWFLSA-N 1 1 307.390 2.410 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000840913663 650377890 /nfs/dbraw/zinc/37/78/90/650377890.db2.gz ZRRAJSJLAOIRKA-IRXDYDNUSA-N 1 1 301.434 2.304 20 10 DECDMO Cc1ncoc1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895608995 638109769 /nfs/dbraw/zinc/10/97/69/638109769.db2.gz WVUWZNCGAGBMSW-UHFFFAOYSA-N 1 1 300.406 2.025 20 10 DECDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CS1 ZINC000840958835 650394858 /nfs/dbraw/zinc/39/48/58/650394858.db2.gz OOZDYNGZBAGKTD-GDBMZVCRSA-N 1 1 305.491 2.422 20 10 DECDMO CN(C)c1ccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c(C(F)(F)F)c1 ZINC000895652703 638137955 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COc1cc(O)c(C[N@H+]2CCCC[C@@H]2C2OCCO2)cc1OC ZINC000768444716 641082410 /nfs/dbraw/zinc/08/24/10/641082410.db2.gz BPZQOVHBGLZBSC-CYBMUJFWSA-N 1 1 323.389 2.137 20 10 DECDMO COc1cc(O)c(CN(C)[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000768447167 641082430 /nfs/dbraw/zinc/08/24/30/641082430.db2.gz MVIBYSXEEMYJAS-AWEZNQCLSA-N 1 1 306.406 2.078 20 10 DECDMO COc1cc(O)c(C[N@H+](C)[C@H]2CCN(C3CC3)C2)cc1OC ZINC000768447167 641082433 /nfs/dbraw/zinc/08/24/33/641082433.db2.gz MVIBYSXEEMYJAS-AWEZNQCLSA-N 1 1 306.406 2.078 20 10 DECDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CCN(C3CC3)C2)cc1OC ZINC000768447167 641082438 /nfs/dbraw/zinc/08/24/38/641082438.db2.gz MVIBYSXEEMYJAS-AWEZNQCLSA-N 1 1 306.406 2.078 20 10 DECDMO C[N@H+](Cc1cc2c(cc1O)CCCC2)C[C@@H]1CCS(=O)(=O)C1 ZINC000768445074 641082583 /nfs/dbraw/zinc/08/25/83/641082583.db2.gz DZIFCGIXYLYYAU-ZDUSSCGKSA-N 1 1 323.458 2.138 20 10 DECDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464472 641084513 /nfs/dbraw/zinc/08/45/13/641084513.db2.gz 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C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCCOC1 ZINC000779986213 642568372 /nfs/dbraw/zinc/56/83/72/642568372.db2.gz MDUMTUMLDYBAOF-FUHWJXTLSA-N 1 1 317.477 2.343 20 10 DECDMO C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C1=CC[N@@H+](C)CC1 ZINC000781161746 642721839 /nfs/dbraw/zinc/72/18/39/642721839.db2.gz UGPMJLMNUDJXFM-CQSZACIVSA-N 1 1 316.449 2.202 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](Nc3ncccn3)C1)CCC2 ZINC000842616843 650782997 /nfs/dbraw/zinc/78/29/97/650782997.db2.gz XHQVCMBAGMNRQA-MRXNPFEDSA-N 1 1 310.401 2.357 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783746844 643046275 /nfs/dbraw/zinc/04/62/75/643046275.db2.gz YPFPHTKNKCJVEC-RISCZKNCSA-N 1 1 312.207 2.277 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783746844 643046281 /nfs/dbraw/zinc/04/62/81/643046281.db2.gz YPFPHTKNKCJVEC-RISCZKNCSA-N 1 1 312.207 2.277 20 10 DECDMO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1cn(C)nn1 ZINC000902767108 643137016 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CCc1cccc(C[N@@H+]2C[C@@H](C)N(CCOC)[C@@H](C)C2)c1O ZINC000848920134 651562349 /nfs/dbraw/zinc/56/23/49/651562349.db2.gz YAEUWWDQZDPJAA-GASCZTMLSA-N 1 1 306.450 2.496 20 10 DECDMO CCc1cccc(CN2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)c1O ZINC000848920134 651562352 /nfs/dbraw/zinc/56/23/52/651562352.db2.gz YAEUWWDQZDPJAA-GASCZTMLSA-N 1 1 306.450 2.496 20 10 DECDMO CCc1cccc(CN2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)c1O ZINC000848920134 651562357 /nfs/dbraw/zinc/56/23/57/651562357.db2.gz YAEUWWDQZDPJAA-GASCZTMLSA-N 1 1 306.450 2.496 20 10 DECDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000855161622 651637129 /nfs/dbraw/zinc/63/71/29/651637129.db2.gz AKYHAVPMBZYBFI-SCXUMTSISA-N 1 1 304.390 2.100 20 10 DECDMO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(F)cc1O ZINC000850495480 651939842 /nfs/dbraw/zinc/93/98/42/651939842.db2.gz DVWFRFCGLJSEDF-FFVOIRBGSA-N 1 1 313.316 2.493 20 10 DECDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1CO ZINC000857061953 652044235 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CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CC[N@@H+](CC)C1 ZINC000853245489 652529079 /nfs/dbraw/zinc/52/90/79/652529079.db2.gz ZXVBHUTYZDNEBE-KRWDZBQOSA-N 1 1 318.465 2.378 20 10 DECDMO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000853576951 652571531 /nfs/dbraw/zinc/57/15/31/652571531.db2.gz GQKYDIQYNWGJLP-LRDDRELGSA-N 1 1 319.401 2.352 20 10 DECDMO COc1cc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c(O)cc1C ZINC000853601598 652577234 /nfs/dbraw/zinc/57/72/34/652577234.db2.gz KHWIWPMPUHIURV-AWEZNQCLSA-N 1 1 320.433 2.446 20 10 DECDMO Nc1ccc(CC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000383389688 685407623 /nfs/dbraw/zinc/40/76/23/685407623.db2.gz JTEJPBHQQFMYRW-GOSISDBHSA-N 1 1 323.440 2.450 20 10 DECDMO C[C@@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1ccccc1O ZINC000858584016 685562073 /nfs/dbraw/zinc/56/20/73/685562073.db2.gz OESHESZIEVKOGH-GFCCVEGCSA-N 1 1 311.389 2.299 20 10 DECDMO C[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C ZINC000122833669 684119605 /nfs/dbraw/zinc/11/96/05/684119605.db2.gz CWGCXEJXQUEGHD-GJZGRUSLSA-N 1 1 303.450 2.347 20 10 DECDMO COC(=O)/C=C(/C)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000929314934 693934862 /nfs/dbraw/zinc/93/48/62/693934862.db2.gz GUZLUXZZGITCPP-SQFISAMPSA-N 1 1 318.417 2.327 20 10 DECDMO CN(C)c1ccc(CN(C)C(=O)Cn2cc[nH+]c2C2CC2)cc1 ZINC000863385544 686489324 /nfs/dbraw/zinc/48/93/24/686489324.db2.gz DRYGIXVOTXQJOO-UHFFFAOYSA-N 1 1 312.417 2.485 20 10 DECDMO C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(Br)cc1[O-] ZINC000863546630 686519237 /nfs/dbraw/zinc/51/92/37/686519237.db2.gz MANISWGXGGMEDL-SNVBAGLBSA-N 1 1 317.227 2.171 20 10 DECDMO COc1cccc(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863646834 686540326 /nfs/dbraw/zinc/54/03/26/686540326.db2.gz PXEZNSSDVUHWFQ-RYUDHWBXSA-N 1 1 318.339 2.360 20 10 DECDMO Cc1ccc(O)c(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c1 ZINC000865687773 687302437 /nfs/dbraw/zinc/30/24/37/687302437.db2.gz VDLVGNSWFNLGRU-UHFFFAOYSA-N 1 1 302.378 2.003 20 10 DECDMO C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1O ZINC000868209974 687948012 /nfs/dbraw/zinc/94/80/12/687948012.db2.gz IUNVFMBDNIXPAU-NWANDNLSSA-N 1 1 303.406 2.379 20 10 DECDMO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c1 ZINC000872790217 689094658 /nfs/dbraw/zinc/09/46/58/689094658.db2.gz FLHYPRUNSOQAGM-HOTGVXAUSA-N 1 1 321.417 2.361 20 10 DECDMO C[C@]12C[NH2+]C[C@H]1CN(Cc1cccc(Br)c1O)C2 ZINC000873227414 689188607 /nfs/dbraw/zinc/18/86/07/689188607.db2.gz GSOQJFNJCYLQKF-SMDDNHRTSA-N 1 1 311.223 2.196 20 10 DECDMO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1[O-] ZINC000873230329 689190300 /nfs/dbraw/zinc/19/03/00/689190300.db2.gz PHRZPTNTDUIRKE-JSGCOSHPSA-N 1 1 311.769 2.328 20 10 DECDMO CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032810067 689267708 /nfs/dbraw/zinc/26/77/08/689267708.db2.gz QEXKHDFZDMAVLB-KBPBESRZSA-N 1 1 315.377 2.158 20 10 DECDMO Nc1ccc(CCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000876527668 689847719 /nfs/dbraw/zinc/84/77/19/689847719.db2.gz JXKWBWNBMADXNG-SFHVURJKSA-N 1 1 323.440 2.450 20 10 DECDMO Cc1cccc(O)c1C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000877054148 690008092 /nfs/dbraw/zinc/00/80/92/690008092.db2.gz FHLZLNAVNNLOQV-OAHLLOKOSA-N 1 1 304.434 2.291 20 10 DECDMO Cc1cccc(O)c1C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000877483989 690126912 /nfs/dbraw/zinc/12/69/12/690126912.db2.gz SJCNFIMUSFAAPK-OAHLLOKOSA-N 1 1 317.433 2.278 20 10 DECDMO CC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCOC1 ZINC000877543420 690146468 /nfs/dbraw/zinc/14/64/68/690146468.db2.gz ALUQGPJVSAROSD-QGZVFWFLSA-N 1 1 304.434 2.259 20 10 DECDMO CC1(C)C[C@H](O)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877751839 690215645 /nfs/dbraw/zinc/21/56/45/690215645.db2.gz LJDQVQPFAISDCS-SFHVURJKSA-N 1 1 318.461 2.241 20 10 DECDMO OC[C@H]1CSCC[N@H+]1Cc1cc(Br)ccc1O ZINC000877779190 690225094 /nfs/dbraw/zinc/22/50/94/690225094.db2.gz ALNDKBDBNRKXMM-NSHDSACASA-N 1 1 318.236 2.064 20 10 DECDMO COc1c(O)c(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000877797235 690234001 /nfs/dbraw/zinc/23/40/01/690234001.db2.gz REMICEVGNSHOHS-LBPRGKRZSA-N 1 1 324.377 2.292 20 10 DECDMO COc1c(O)c(C[N@H+]2CCC[C@H](C(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000877797235 690234003 /nfs/dbraw/zinc/23/40/03/690234003.db2.gz REMICEVGNSHOHS-LBPRGKRZSA-N 1 1 324.377 2.292 20 10 DECDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CCCF)cc1 ZINC001039060853 691006185 /nfs/dbraw/zinc/00/61/85/691006185.db2.gz NFHLUGLCRZVFOI-ZDUSSCGKSA-N 1 1 321.356 2.013 20 10 DECDMO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CC[N@H+]2CC)cc1 ZINC000883157933 691443427 /nfs/dbraw/zinc/44/34/27/691443427.db2.gz OWLGSHJWUDSIDF-KRWDZBQOSA-N 1 1 318.465 2.426 20 10 DECDMO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000883161431 691444389 /nfs/dbraw/zinc/44/43/89/691444389.db2.gz RSHIXXVAPFLLKG-UTUOFQBUSA-N 1 1 314.376 2.258 20 10 DECDMO Cc1ncc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000883283603 691471841 /nfs/dbraw/zinc/47/18/41/691471841.db2.gz LQHAPVMWPVTKGL-UHFFFAOYSA-N 1 1 316.474 2.493 20 10 DECDMO CCCC[NH+]1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001044355076 691811771 /nfs/dbraw/zinc/81/17/71/691811771.db2.gz NYSHHZHNWZNQJM-UHFFFAOYSA-N 1 1 317.393 2.405 20 10 DECDMO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1c(O)cccc1F ZINC000886556784 692109053 /nfs/dbraw/zinc/10/90/53/692109053.db2.gz KBLOSMXZFKWVIQ-JTQLQIEISA-N 1 1 301.383 2.007 20 10 DECDMO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1c(O)cccc1F ZINC000886609498 692131566 /nfs/dbraw/zinc/13/15/66/692131566.db2.gz VFXACFMBSZXXOB-WDEREUQCSA-N 1 1 301.383 2.007 20 10 DECDMO CCCN1CCC([NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000893324250 692966342 /nfs/dbraw/zinc/96/63/42/692966342.db2.gz QMURCEAAUNWXSH-UHFFFAOYSA-N 1 1 308.422 2.373 20 10 DECDMO COc1ccc(N2CC[NH+](Cc3ocnc3C)CC2)cc1F ZINC000894089192 692977193 /nfs/dbraw/zinc/97/71/93/692977193.db2.gz PXESVGPFJMBBOU-UHFFFAOYSA-N 1 1 305.353 2.453 20 10 DECDMO C[C@@H]([NH2+][C@@H](C)c1cnn(C)n1)c1ccc(N2CCOCC2)cc1 ZINC000924795856 693186611 /nfs/dbraw/zinc/18/66/11/693186611.db2.gz QSMDFRKMWCQNQY-KGLIPLIRSA-N 1 1 315.421 2.064 20 10 DECDMO COc1ccc(N2CC[C@H](CN[C@@H]3CC[NH2+]C3(C)C)C2)cc1 ZINC000925709305 693327844 /nfs/dbraw/zinc/32/78/44/693327844.db2.gz UZTPETTZAGHFLP-RHSMWYFYSA-N 1 1 303.450 2.252 20 10 DECDMO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)CC2)cc(OC)n1 ZINC001052526457 693558289 /nfs/dbraw/zinc/55/82/89/693558289.db2.gz CSRWUEAZEYHWRP-CQSZACIVSA-N 1 1 321.421 2.092 20 10 DECDMO Cc1ccccc1CC(=O)N1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001335284378 1150392902 /nfs/dbraw/zinc/39/29/02/1150392902.db2.gz ATBQTIIUKKHBMS-UHFFFAOYSA-N 1 1 323.440 2.464 20 10 DECDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N)cc2)[C@@H](C)C1 ZINC001353539871 1151837105 /nfs/dbraw/zinc/83/71/05/1151837105.db2.gz PHGBZFQDZKHYDV-BBRMVZONSA-N 1 1 304.438 2.141 20 10 DECDMO COc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1O ZINC001358046157 1152357920 /nfs/dbraw/zinc/35/79/20/1152357920.db2.gz NRAJRHZNHQOXKQ-AWEZNQCLSA-N 1 1 306.406 2.137 20 10 DECDMO Cn1ncc(Br)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000693419819 777133607 /nfs/dbraw/zinc/13/36/07/777133607.db2.gz OIRXMIWCWIUWHX-UHFFFAOYSA-N 1 1 322.206 2.407 20 10 DECDMO Cc1cnccc1O[C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515993 790944084 /nfs/dbraw/zinc/94/40/84/790944084.db2.gz MBZOOZUVUMSMDM-ZDUSSCGKSA-N 1 1 316.357 2.160 20 10 DECDMO CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994915 784295469 /nfs/dbraw/zinc/29/54/69/784295469.db2.gz YLRNGOSPCUVYIP-ZDUSSCGKSA-N 1 1 303.366 2.015 20 10 DECDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001136259241 789674263 /nfs/dbraw/zinc/67/42/63/789674263.db2.gz RCLCXIRMQDBKDL-OKILXGFUSA-N 1 1 320.433 2.125 20 10 DECDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[S@@](=O)C1 ZINC001116775491 794986685 /nfs/dbraw/zinc/98/66/85/794986685.db2.gz OCOCIZMKNJPWGR-QVKFZJNVSA-N 1 1 306.475 2.487 20 10 DECDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[S@@](=O)C1 ZINC001116775491 794986690 /nfs/dbraw/zinc/98/66/90/794986690.db2.gz OCOCIZMKNJPWGR-QVKFZJNVSA-N 1 1 306.475 2.487 20 10 DECDMO CCOc1ccc(N2CC[NH+](Cc3ccnc(N)c3)CC2)cc1 ZINC001116821895 794991617 /nfs/dbraw/zinc/99/16/17/794991617.db2.gz QWFXLFKOAPSUAW-UHFFFAOYSA-N 1 1 312.417 2.385 20 10 DECDMO C[C@H]1CN(Cc2cc(Br)c(F)cc2O)CC[NH2+]1 ZINC001206389869 795153620 /nfs/dbraw/zinc/15/36/20/795153620.db2.gz UNHQIMKXUWNMAJ-QMMMGPOBSA-N 1 1 303.175 2.088 20 10 DECDMO CN(C)c1ccc(/C=C/C(=O)NCC[C@@H]2CCC[N@H+]2C)cc1 ZINC001180129905 795238604 /nfs/dbraw/zinc/23/86/04/795238604.db2.gz MEWOYRKMAWBFTJ-YRYLYKBFSA-N 1 1 301.434 2.366 20 10 DECDMO CN1C[C@@H]2CC[C@H](CC1=O)[N@H+]2Cc1cc2c(cc1O)CCC2 ZINC001119337482 795290574 /nfs/dbraw/zinc/29/05/74/795290574.db2.gz LAUSBPZGLZBBSJ-CVEARBPZSA-N 1 1 300.402 2.076 20 10 DECDMO Oc1cccc(F)c1C[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001137839212 796145640 /nfs/dbraw/zinc/14/56/40/796145640.db2.gz WRVSPUFPWNOJDU-UHFFFAOYSA-N 1 1 300.324 2.447 20 10 DECDMO CCc1ncnc2c1CC[N@H+](Cc1cccc(F)c1O)CC2 ZINC001138124899 796166333 /nfs/dbraw/zinc/16/63/33/796166333.db2.gz CQDJYXDDMTUHPW-UHFFFAOYSA-N 1 1 301.365 2.485 20 10 DECDMO CCc1ncnc2c1CC[N@@H+](Cc1cccc(F)c1O)CC2 ZINC001138124899 796166335 /nfs/dbraw/zinc/16/63/35/796166335.db2.gz CQDJYXDDMTUHPW-UHFFFAOYSA-N 1 1 301.365 2.485 20 10 DECDMO Cc1c(C[N@H+]2CC[C@@H](O)[C@](C)(CO)C2)c2ccccc2n1C ZINC001138252375 796188157 /nfs/dbraw/zinc/18/81/57/796188157.db2.gz DXMVEHIRFYBCTQ-MSOLQXFVSA-N 1 1 302.418 2.052 20 10 DECDMO CC[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1CN(C)C1 ZINC001138340897 796199788 /nfs/dbraw/zinc/19/97/88/796199788.db2.gz BGJKBTWILXDXOC-UHFFFAOYSA-N 1 1 315.461 2.227 20 10 DECDMO c1cc2c(cn1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001138498736 796226749 /nfs/dbraw/zinc/22/67/49/796226749.db2.gz BVMIJDLJWXHDKS-UHFFFAOYSA-N 1 1 309.413 2.477 20 10 DECDMO CCO[C@@H]1C[C@H]2CN(Cc3c(C)ccc(C)c3O)CC[N@H+]2C1 ZINC001140181068 796487285 /nfs/dbraw/zinc/48/72/85/796487285.db2.gz PBIVTGUSWHLACV-JKSUJKDBSA-N 1 1 304.434 2.304 20 10 DECDMO CCO[C@@H]1C[C@H]2C[N@H+](Cc3c(C)ccc(C)c3O)CCN2C1 ZINC001140181068 796487289 /nfs/dbraw/zinc/48/72/89/796487289.db2.gz 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CN(C)C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccccc1O ZINC000895992548 638302838 /nfs/dbraw/zinc/30/28/38/638302838.db2.gz KMMXLNCNFFCRGH-MRXNPFEDSA-N 1 1 304.434 2.467 20 10 DECDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc3c(c2)CCO3)cc1 ZINC000841042964 650412470 /nfs/dbraw/zinc/41/24/70/650412470.db2.gz NEZROIPKSNQMLF-SFHVURJKSA-N 1 1 311.429 2.477 20 10 DECDMO Cc1ccc(O)c(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000897176200 639224969 /nfs/dbraw/zinc/22/49/69/639224969.db2.gz PREKZGUAOXJOFS-INIZCTEOSA-N 1 1 305.418 2.454 20 10 DECDMO CCC[N@@H+](Cc1cc(C)c(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000022013988 639530592 /nfs/dbraw/zinc/53/05/92/639530592.db2.gz DWAFYXBOSJBDBV-HNNXBMFYSA-N 1 1 311.447 2.408 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccco2)c1 ZINC000756383182 639656971 /nfs/dbraw/zinc/65/69/71/639656971.db2.gz WHCNVGMHFAEZEG-IINYFYTJSA-N 1 1 305.330 2.156 20 10 DECDMO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000756553943 639673519 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GXRBOYPEVLLJLE-UHFFFAOYSA-N 1 1 301.434 2.245 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)cc1 ZINC000817412895 647289011 /nfs/dbraw/zinc/28/90/11/647289011.db2.gz QGSIUHKZZLWTFB-RTRPANQVSA-N 1 1 304.434 2.238 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@H+]2C[C@@H](CO)OC(C)(C)C2)cc1 ZINC000817412895 647289015 /nfs/dbraw/zinc/28/90/15/647289015.db2.gz QGSIUHKZZLWTFB-RTRPANQVSA-N 1 1 304.434 2.238 20 10 DECDMO CN(C)c1ccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000817900910 647377051 /nfs/dbraw/zinc/37/70/51/647377051.db2.gz QUVJKCHKBBRPQE-USXIJHARSA-N 1 1 321.440 2.138 20 10 DECDMO CC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(Br)ccc1O ZINC000817977780 647398916 /nfs/dbraw/zinc/39/89/16/647398916.db2.gz OYGOKTQRRDIHKU-CZXHOFHRSA-N 1 1 311.223 2.413 20 10 DECDMO COC(=O)[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000818117199 647423484 /nfs/dbraw/zinc/42/34/84/647423484.db2.gz WCCJARWFKXFODO-SUMWQHHRSA-N 1 1 318.417 2.063 20 10 DECDMO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000917466394 648004702 /nfs/dbraw/zinc/00/47/02/648004702.db2.gz VGANWCBIHMOKQM-CYBMUJFWSA-N 1 1 323.458 2.138 20 10 DECDMO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C)cc1F ZINC000917616758 648017997 /nfs/dbraw/zinc/01/79/97/648017997.db2.gz BFPDCHSKSXQANL-CQSZACIVSA-N 1 1 322.428 2.175 20 10 DECDMO COc1ccc2c(c1)CCCN2Cc1c[nH+]c(N(C)C)n1C ZINC000822469618 648214398 /nfs/dbraw/zinc/21/43/98/648214398.db2.gz BGCLGOBBRFVVGE-UHFFFAOYSA-N 1 1 300.406 2.448 20 10 DECDMO CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000822740058 648275317 /nfs/dbraw/zinc/27/53/17/648275317.db2.gz KZOSSFIBUYMPKW-CQSZACIVSA-N 1 1 324.421 2.052 20 10 DECDMO CCC[N@@H+](CC)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000175406200 648347020 /nfs/dbraw/zinc/34/70/20/648347020.db2.gz QJLSOUKMVAJNBD-UHFFFAOYSA-N 1 1 324.444 2.423 20 10 DECDMO CCOc1cccc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)c1O ZINC000824451230 648591066 /nfs/dbraw/zinc/59/10/66/648591066.db2.gz PEEJHEFZPDBZAE-CYBMUJFWSA-N 1 1 320.389 2.065 20 10 DECDMO OC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824474444 648594312 /nfs/dbraw/zinc/59/43/12/648594312.db2.gz ORKAYVFNOJEGJL-JTQLQIEISA-N 1 1 300.196 2.359 20 10 DECDMO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000824636881 648628314 /nfs/dbraw/zinc/62/83/14/648628314.db2.gz UUGVIOAFHJSWGS-HKUYNNGSSA-N 1 1 317.477 2.031 20 10 DECDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000824636881 648628316 /nfs/dbraw/zinc/62/83/16/648628316.db2.gz UUGVIOAFHJSWGS-HKUYNNGSSA-N 1 1 317.477 2.031 20 10 DECDMO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000824636882 648628350 /nfs/dbraw/zinc/62/83/50/648628350.db2.gz UUGVIOAFHJSWGS-IEBWSBKVSA-N 1 1 317.477 2.031 20 10 DECDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000824636882 648628352 /nfs/dbraw/zinc/62/83/52/648628352.db2.gz UUGVIOAFHJSWGS-IEBWSBKVSA-N 1 1 317.477 2.031 20 10 DECDMO Cc1cc(O)c(C[NH+]2CCN(c3cnn(C)c3)CC2)cc1Cl ZINC000824808595 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650427938 /nfs/dbraw/zinc/42/79/38/650427938.db2.gz ZAJBADYMVLTNGW-DZGCQCFKSA-N 1 1 320.433 2.373 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)ncn2)c1 ZINC000756776839 639694123 /nfs/dbraw/zinc/69/41/23/639694123.db2.gz SGKNTGRMYSKXPT-NSHDSACASA-N 1 1 301.346 2.128 20 10 DECDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)ccc1N1CCCCC1 ZINC000839665558 639784948 /nfs/dbraw/zinc/78/49/48/639784948.db2.gz ICGNQKYOUJBRBK-HKUYNNGSSA-N 1 1 318.461 2.160 20 10 DECDMO CC[C@@]1(C)CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000758742100 639991884 /nfs/dbraw/zinc/99/18/84/639991884.db2.gz UATUFWJQGJDHNJ-SFHVURJKSA-N 1 1 303.450 2.491 20 10 DECDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000761228979 640288998 /nfs/dbraw/zinc/28/89/98/640288998.db2.gz QARZVYNGUBNWCS-LLVKDONJSA-N 1 1 309.797 2.082 20 10 DECDMO CCCN(CCC)c1ccc(CNC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000762555285 640438168 /nfs/dbraw/zinc/43/81/68/640438168.db2.gz DHIJMKGTNWVUBZ-IBGZPJMESA-N 1 1 319.493 2.469 20 10 DECDMO CCCN(CCC)c1ccc(CNC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762555285 640438171 /nfs/dbraw/zinc/43/81/71/640438171.db2.gz DHIJMKGTNWVUBZ-IBGZPJMESA-N 1 1 319.493 2.469 20 10 DECDMO O=C(NCc1ccccc1O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000764837894 640700835 /nfs/dbraw/zinc/70/08/35/640700835.db2.gz BACVNTFUCYWZJI-OAHLLOKOSA-N 1 1 303.406 2.208 20 10 DECDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)cc1C ZINC000897559390 640796837 /nfs/dbraw/zinc/79/68/37/640796837.db2.gz VGMMXLWPESPGEU-QGZVFWFLSA-N 1 1 301.390 2.316 20 10 DECDMO O=C1CCCN1C1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000897789423 640934212 /nfs/dbraw/zinc/93/42/12/640934212.db2.gz HRLNCPNUYAZYOT-UHFFFAOYSA-N 1 1 313.445 2.484 20 10 DECDMO CC[N@@H+](CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768141345 641054197 /nfs/dbraw/zinc/05/41/97/641054197.db2.gz XKSSFNRTOLOULJ-UHFFFAOYSA-N 1 1 307.394 2.399 20 10 DECDMO C[N@@H+](Cc1ccc(Cl)nc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440075 641080564 /nfs/dbraw/zinc/08/05/64/641080564.db2.gz CVKKTBIURSPSIT-AWEZNQCLSA-N 1 1 320.776 2.498 20 10 DECDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768438889 641080767 /nfs/dbraw/zinc/08/07/67/641080767.db2.gz AARCTUDCAJPZNV-ZDUSSCGKSA-N 1 1 323.389 2.327 20 10 DECDMO COc1cc(O)c(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1OC ZINC000768447674 641082486 /nfs/dbraw/zinc/08/24/86/641082486.db2.gz RRGDNBVDIWTNON-AWEZNQCLSA-N 1 1 317.389 2.443 20 10 DECDMO CC(C)C[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768445735 641082743 /nfs/dbraw/zinc/08/27/43/641082743.db2.gz HEVCGGIEGIEUIC-BBRMVZONSA-N 1 1 307.390 2.065 20 10 DECDMO COc1cc(C[N@H+]2CCCN(CC(F)F)CC2)c(O)cc1C ZINC000768464536 641084774 /nfs/dbraw/zinc/08/47/74/641084774.db2.gz BAVLXGJNXAKTII-UHFFFAOYSA-N 1 1 314.376 2.482 20 10 DECDMO COc1cc(C[N@@H+]2CCO[C@H](COC(C)C)C2)c(O)cc1C ZINC000769800633 641292427 /nfs/dbraw/zinc/29/24/27/641292427.db2.gz WXGBMPSYGAGDNH-HNNXBMFYSA-N 1 1 309.406 2.335 20 10 DECDMO COc1cc(C[N@H+]2CCO[C@H](COC(C)C)C2)c(O)cc1C ZINC000769800633 641292434 /nfs/dbraw/zinc/29/24/34/641292434.db2.gz WXGBMPSYGAGDNH-HNNXBMFYSA-N 1 1 309.406 2.335 20 10 DECDMO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771842096 641558469 /nfs/dbraw/zinc/55/84/69/641558469.db2.gz JDZUTQBZASDXIE-DLBZAZTESA-N 1 1 305.491 2.422 20 10 DECDMO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cnccn1 ZINC000898448917 641660879 /nfs/dbraw/zinc/66/08/79/641660879.db2.gz ZEUHTGIAWWDLNY-KDOFPFPSSA-N 1 1 313.449 2.496 20 10 DECDMO CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773274464 641751539 /nfs/dbraw/zinc/75/15/39/641751539.db2.gz UUJYRBRQNRDDAU-AWEZNQCLSA-N 1 1 306.454 2.453 20 10 DECDMO C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000773370050 641765281 /nfs/dbraw/zinc/76/52/81/641765281.db2.gz YKLGIVHVPDVXMN-HIFRSBDPSA-N 1 1 304.438 2.207 20 10 DECDMO CCN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000773887058 641836309 /nfs/dbraw/zinc/83/63/09/641836309.db2.gz ABQWYHILLBVEJD-UAGQMJEPSA-N 1 1 301.434 2.229 20 10 DECDMO COc1c(O)c(C[NH2+][C@H]2C[C@@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000775030944 641996726 /nfs/dbraw/zinc/99/67/26/641996726.db2.gz XKPVIQBIHZPBSE-NWDGAFQWSA-N 1 1 310.350 2.212 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@H]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000775049793 641999623 /nfs/dbraw/zinc/99/96/23/641999623.db2.gz DJNDJOZRFKXBDJ-MNOVXSKESA-N 1 1 310.350 2.214 20 10 DECDMO CC[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccccc1O ZINC000775502890 642052909 /nfs/dbraw/zinc/05/29/09/642052909.db2.gz XUKQNNZRQMHTIM-ZBFHGGJFSA-N 1 1 319.449 2.020 20 10 DECDMO CC[C@H](CO)[NH+]1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775726643 642085338 /nfs/dbraw/zinc/08/53/38/642085338.db2.gz YNGRAWNCCKIYMD-CYBMUJFWSA-N 1 1 316.804 2.073 20 10 DECDMO CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC000899982673 642227453 /nfs/dbraw/zinc/22/74/53/642227453.db2.gz JECAWSUZGRRQGY-SJORKVTESA-N 1 1 301.434 2.386 20 10 DECDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000779151225 642467316 /nfs/dbraw/zinc/46/73/16/642467316.db2.gz WRNJZEBCGCGSOQ-GOSISDBHSA-N 1 1 304.434 2.380 20 10 DECDMO CC(C)[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000779149530 642467601 /nfs/dbraw/zinc/46/76/01/642467601.db2.gz FPBBYSKPDXIOIN-IBGZPJMESA-N 1 1 317.477 2.295 20 10 DECDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000779151227 642467993 /nfs/dbraw/zinc/46/79/93/642467993.db2.gz WRNJZEBCGCGSOQ-SFHVURJKSA-N 1 1 304.434 2.380 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000783746847 643045829 /nfs/dbraw/zinc/04/58/29/643045829.db2.gz YPFPHTKNKCJVEC-SMDDNHRTSA-N 1 1 312.207 2.277 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000783746847 643045835 /nfs/dbraw/zinc/04/58/35/643045835.db2.gz YPFPHTKNKCJVEC-SMDDNHRTSA-N 1 1 312.207 2.277 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H]3COCC[C@@H]31)CCCC2 ZINC000902626892 643090178 /nfs/dbraw/zinc/09/01/78/643090178.db2.gz OSYXRZLLCZYALR-FUHWJXTLSA-N 1 1 303.402 2.261 20 10 DECDMO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cn(C)cn1 ZINC000903449337 643355945 /nfs/dbraw/zinc/35/59/45/643355945.db2.gz XKUYSNMJPTUIRX-KSSFIOAISA-N 1 1 315.465 2.440 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCOc3ccc(N)cc3C2)c1 ZINC000903944118 643523950 /nfs/dbraw/zinc/52/39/50/643523950.db2.gz GHSKXDXTZUIMEZ-UHFFFAOYSA-N 1 1 300.358 2.378 20 10 DECDMO COC(=O)[C@H]1[C@@H](C[N@@H+](C)Cc2ccc(N(C)C)cc2)C1(F)F ZINC000787769365 643540049 /nfs/dbraw/zinc/54/00/49/643540049.db2.gz DWEVJHFILMCEHT-ZIAGYGMSSA-N 1 1 312.360 2.239 20 10 DECDMO OCC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CCOCC1 ZINC000790985712 643917349 /nfs/dbraw/zinc/91/73/49/643917349.db2.gz AFHUYKFYPAVLCN-CYBMUJFWSA-N 1 1 317.788 2.452 20 10 DECDMO COc1c(O)c(C[NH2+]CCc2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000793202073 644207723 /nfs/dbraw/zinc/20/77/23/644207723.db2.gz DXEACCXPYXMNSC-UHFFFAOYSA-N 1 1 317.345 2.345 20 10 DECDMO COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c(O)c1 ZINC000794378510 644405697 /nfs/dbraw/zinc/40/56/97/644405697.db2.gz WVRWDDIIKZBHSH-FRRDWIJNSA-N 1 1 306.406 2.278 20 10 DECDMO COc1cc(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c(O)cc1C ZINC000794710201 644464155 /nfs/dbraw/zinc/46/41/55/644464155.db2.gz YDJZACCNARNYCM-DYVFJYSZSA-N 1 1 307.390 2.089 20 10 DECDMO COc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c(O)cc1C ZINC000794888313 644488594 /nfs/dbraw/zinc/48/85/94/644488594.db2.gz FAIJDRNUSSIMMV-KBXCAEBGSA-N 1 1 321.417 2.479 20 10 DECDMO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843414181 650969696 /nfs/dbraw/zinc/96/96/96/650969696.db2.gz WASVYPCFBBFBCO-LJQANCHMSA-N 1 1 317.477 2.438 20 10 DECDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843414181 650969698 /nfs/dbraw/zinc/96/96/98/650969698.db2.gz WASVYPCFBBFBCO-LJQANCHMSA-N 1 1 317.477 2.438 20 10 DECDMO O=C1N[C@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]2CO1 ZINC000798957705 645103372 /nfs/dbraw/zinc/10/33/72/645103372.db2.gz LMCNACCCAZHVJY-KCJUWKMLSA-N 1 1 314.744 2.115 20 10 DECDMO O=C1N[C@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]2CO1 ZINC000798957705 645103374 /nfs/dbraw/zinc/10/33/74/645103374.db2.gz LMCNACCCAZHVJY-KCJUWKMLSA-N 1 1 314.744 2.115 20 10 DECDMO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC000839919103 645299819 /nfs/dbraw/zinc/29/98/19/645299819.db2.gz PLPQADBRQVCCRB-RHSMWYFYSA-N 1 1 303.450 2.202 20 10 DECDMO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000105263373 650999490 /nfs/dbraw/zinc/99/94/90/650999490.db2.gz GZRMQABEONZZAS-NEPJUHHUSA-N 1 1 321.421 2.244 20 10 DECDMO Oc1c(Br)cccc1CN1CC[NH2+]C[C@H]1C(F)F ZINC000843124870 645822879 /nfs/dbraw/zinc/82/28/79/645822879.db2.gz ODVNTQXSZPVHMP-JTQLQIEISA-N 1 1 321.165 2.194 20 10 DECDMO CCOc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c(O)c1 ZINC000809697780 646264529 /nfs/dbraw/zinc/26/45/29/646264529.db2.gz OEVGQXWNYQDRMM-DOTOQJQBSA-N 1 1 307.390 2.171 20 10 DECDMO CCOc1ccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c(O)c1 ZINC000809697780 646264534 /nfs/dbraw/zinc/26/45/34/646264534.db2.gz OEVGQXWNYQDRMM-DOTOQJQBSA-N 1 1 307.390 2.171 20 10 DECDMO COc1cc(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c(O)cc1C ZINC000840188985 646294304 /nfs/dbraw/zinc/29/43/04/646294304.db2.gz NPIYKVOEWWQAEJ-AWEZNQCLSA-N 1 1 306.406 2.198 20 10 DECDMO CC(C)[N@H+](C)C[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000810172590 646334899 /nfs/dbraw/zinc/33/48/99/646334899.db2.gz KXMFNVUVZYFVPA-OAHLLOKOSA-N 1 1 323.456 2.481 20 10 DECDMO CC(C)N(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000810172590 646334902 /nfs/dbraw/zinc/33/49/02/646334902.db2.gz KXMFNVUVZYFVPA-OAHLLOKOSA-N 1 1 323.456 2.481 20 10 DECDMO COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000811931004 646593257 /nfs/dbraw/zinc/59/32/57/646593257.db2.gz OVDBQFLUKVDVLR-QWHCGFSZSA-N 1 1 323.437 2.490 20 10 DECDMO CCOc1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c(O)c1 ZINC000812776112 646693667 /nfs/dbraw/zinc/69/36/67/646693667.db2.gz RNHYVCAUVRTPDC-GFCCVEGCSA-N 1 1 301.333 2.240 20 10 DECDMO CC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)C[C@H](C)OC ZINC000812809505 646700820 /nfs/dbraw/zinc/70/08/20/646700820.db2.gz YORUOKHMGJRZBH-INIZCTEOSA-N 1 1 305.466 2.295 20 10 DECDMO CC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)C[C@H](C)OC ZINC000812809505 646700823 /nfs/dbraw/zinc/70/08/23/646700823.db2.gz YORUOKHMGJRZBH-INIZCTEOSA-N 1 1 305.466 2.295 20 10 DECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000172957201 646756439 /nfs/dbraw/zinc/75/64/39/646756439.db2.gz WXBUWROGIRTJJC-CALCHBBNSA-N 1 1 315.461 2.299 20 10 DECDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000174373114 646805582 /nfs/dbraw/zinc/80/55/82/646805582.db2.gz YXGUTPWVJSWCEU-SJORKVTESA-N 1 1 323.433 2.161 20 10 DECDMO COCC[N@@H+](CCC(=O)OC)Cc1ccc(N(C)C)c(C)c1 ZINC000815048540 646960332 /nfs/dbraw/zinc/96/03/32/646960332.db2.gz OESZYQDTWNMEGE-UHFFFAOYSA-N 1 1 308.422 2.073 20 10 DECDMO CCOCC(C)(C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000815148533 646979692 /nfs/dbraw/zinc/97/96/92/646979692.db2.gz YVXQXHKFYNBEAD-UHFFFAOYSA-N 1 1 305.466 2.343 20 10 DECDMO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)O ZINC000815155438 646980727 /nfs/dbraw/zinc/98/07/27/646980727.db2.gz PMQFOJIGNVYPBJ-KRWDZBQOSA-N 1 1 305.466 2.078 20 10 DECDMO COC[C@@H](O)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815599368 647034393 /nfs/dbraw/zinc/03/43/93/647034393.db2.gz RHKRZEMTVLRBBV-UWVGGRQHSA-N 1 1 307.312 2.459 20 10 DECDMO COC(=O)C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816513475 647145619 /nfs/dbraw/zinc/14/56/19/647145619.db2.gz RFSIKSRVIDJFFR-OAHLLOKOSA-N 1 1 315.369 2.309 20 10 DECDMO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816513475 647145623 /nfs/dbraw/zinc/14/56/23/647145623.db2.gz RFSIKSRVIDJFFR-OAHLLOKOSA-N 1 1 315.369 2.309 20 10 DECDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000817413127 647289413 /nfs/dbraw/zinc/28/94/13/647289413.db2.gz UOWMRKDAFWYBOA-GOEBONIOSA-N 1 1 322.424 2.113 20 10 DECDMO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000817415673 647290326 /nfs/dbraw/zinc/29/03/26/647290326.db2.gz 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CCOc1cccc(C[N@@H+](CCN(C)C)C[C@@H]2CCCO2)c1O ZINC000809738070 646272006 /nfs/dbraw/zinc/27/20/06/646272006.db2.gz RDKYSEQLOVBXII-INIZCTEOSA-N 1 1 322.449 2.334 20 10 DECDMO COCC[N@H+](Cc1cccnc1)Cc1c(O)cccc1OC ZINC000809741584 646272883 /nfs/dbraw/zinc/27/28/83/646272883.db2.gz QANMSAHWBNYGRX-UHFFFAOYSA-N 1 1 302.374 2.444 20 10 DECDMO COCC[N@@H+](Cc1cccnc1)Cc1c(O)cccc1OC ZINC000809741584 646272887 /nfs/dbraw/zinc/27/28/87/646272887.db2.gz QANMSAHWBNYGRX-UHFFFAOYSA-N 1 1 302.374 2.444 20 10 DECDMO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cccc(C(F)(F)F)c1O ZINC000815572712 647030921 /nfs/dbraw/zinc/03/09/21/647030921.db2.gz LDXPQQOCYRVLMJ-DTWKUNHWSA-N 1 1 302.296 2.292 20 10 DECDMO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cccc(C(F)(F)F)c1O ZINC000815572713 647031316 /nfs/dbraw/zinc/03/13/16/647031316.db2.gz LDXPQQOCYRVLMJ-IUCAKERBSA-N 1 1 302.296 2.292 20 10 DECDMO C[C@H]([NH2+]C[C@@H]1COCCO1)c1cccc(C(F)(F)F)c1O ZINC000815561560 647031417 /nfs/dbraw/zinc/03/14/17/647031417.db2.gz JPXWDGFVTVFTNZ-VHSXEESVSA-N 1 1 305.296 2.477 20 10 DECDMO CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816612199 647158694 /nfs/dbraw/zinc/15/86/94/647158694.db2.gz IXYKWKLJKIAPGP-NSHDSACASA-N 1 1 305.777 2.402 20 10 DECDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816612199 647158697 /nfs/dbraw/zinc/15/86/97/647158697.db2.gz IXYKWKLJKIAPGP-NSHDSACASA-N 1 1 305.777 2.402 20 10 DECDMO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)cc1 ZINC000817412894 647288992 /nfs/dbraw/zinc/28/89/92/647288992.db2.gz QGSIUHKZZLWTFB-OSJSJHBBSA-N 1 1 304.434 2.238 20 10 DECDMO CN(C)c1ccc(/C=C\C[N@H+]2C[C@@H](CO)OC(C)(C)C2)cc1 ZINC000817412894 647288996 /nfs/dbraw/zinc/28/89/96/647288996.db2.gz QGSIUHKZZLWTFB-OSJSJHBBSA-N 1 1 304.434 2.238 20 10 DECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](C(=O)NC)C2)cc1F ZINC000817415357 647290728 /nfs/dbraw/zinc/29/07/28/647290728.db2.gz RSEHDZKUHHGTOW-AWEZNQCLSA-N 1 1 307.413 2.240 20 10 DECDMO Cc1cc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)n(C)n1 ZINC000817942411 647388664 /nfs/dbraw/zinc/38/86/64/647388664.db2.gz ORKXIQFCNHBQTR-CZUORRHYSA-N 1 1 301.438 2.145 20 10 DECDMO CCn1cc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cn1 ZINC000817944194 647389527 /nfs/dbraw/zinc/38/95/27/647389527.db2.gz YAPIECQDNLGXES-CXAGYDPISA-N 1 1 301.438 2.320 20 10 DECDMO C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1cc2c(cc1O)CCCC2 ZINC000817981799 647400011 /nfs/dbraw/zinc/40/00/11/647400011.db2.gz NYJVEXXZBLFNSK-BBRMVZONSA-N 1 1 304.434 2.300 20 10 DECDMO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)C(=O)OC ZINC000818116873 647423614 /nfs/dbraw/zinc/42/36/14/647423614.db2.gz QXZRRMPJVLPJHR-BBRMVZONSA-N 1 1 306.406 2.063 20 10 DECDMO COc1ccc(N2CC[C@H](C[NH2+]Cc3n[nH]cc3C)C2)cc1 ZINC000818219786 647435211 /nfs/dbraw/zinc/43/52/11/647435211.db2.gz DIDHHIPVCIEUSB-CQSZACIVSA-N 1 1 300.406 2.343 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1O ZINC000819896007 647736346 /nfs/dbraw/zinc/73/63/46/647736346.db2.gz DKBWAAMKISXBMZ-AWEZNQCLSA-N 1 1 302.378 2.138 20 10 DECDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1C ZINC000821442730 648064312 /nfs/dbraw/zinc/06/43/12/648064312.db2.gz KFOXFHZMXCVNOG-RYUDHWBXSA-N 1 1 317.393 2.404 20 10 DECDMO C[C@@H]1NCCC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000925479449 648221014 /nfs/dbraw/zinc/22/10/14/648221014.db2.gz ZRKWJQQJARMANA-YOEHRIQHSA-N 1 1 305.491 2.470 20 10 DECDMO CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000822740057 648275256 /nfs/dbraw/zinc/27/52/56/648275256.db2.gz KZOSSFIBUYMPKW-AWEZNQCLSA-N 1 1 324.421 2.052 20 10 DECDMO CCOc1ccc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)c(O)c1 ZINC000824451310 648590662 /nfs/dbraw/zinc/59/06/62/648590662.db2.gz RVRDGPHMUSNKTH-CYBMUJFWSA-N 1 1 320.389 2.065 20 10 DECDMO CCOc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1O ZINC000824655725 648630227 /nfs/dbraw/zinc/63/02/27/648630227.db2.gz ZLOVCAJHNSPKOG-BZUAXINKSA-N 1 1 321.417 2.153 20 10 DECDMO CC1(C)C[N@@H+](Cc2ccc(Br)cc2O)C[C@H]1O ZINC000825732369 648806341 /nfs/dbraw/zinc/80/63/41/648806341.db2.gz RAKKCMWCPMDCMA-GFCCVEGCSA-N 1 1 300.196 2.357 20 10 DECDMO Cc1cc(O)c(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1Cl ZINC000825745287 648808063 /nfs/dbraw/zinc/80/80/63/648808063.db2.gz WZAOVMVGMNPIDH-QWHCGFSZSA-N 1 1 312.841 2.241 20 10 DECDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c1O ZINC000827000034 648959011 /nfs/dbraw/zinc/95/90/11/648959011.db2.gz GRZPOUUNYRVZBH-ZDUSSCGKSA-N 1 1 310.781 2.381 20 10 DECDMO COc1c(O)c(C[NH2+][C@H]2COC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000827125720 648976023 /nfs/dbraw/zinc/97/60/23/648976023.db2.gz PVZZAWVHXXWQQG-LLVKDONJSA-N 1 1 308.334 2.110 20 10 DECDMO C[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1COCCO1 ZINC000827139405 648980121 /nfs/dbraw/zinc/98/01/21/648980121.db2.gz ALUSQWREYXQVKI-GFCCVEGCSA-N 1 1 316.195 2.002 20 10 DECDMO COc1c(O)c(C[N@@H+](C)CC2=CCSC2)ccc1[N+](=O)[O-] ZINC000827805085 649087809 /nfs/dbraw/zinc/08/78/09/649087809.db2.gz GSVZWTKBZZMSPQ-UHFFFAOYSA-N 1 1 310.375 2.414 20 10 DECDMO CCc1cccc(CN2CCO[C@@H](CCC[NH+](C)C)C2)c1O ZINC000827856956 649095401 /nfs/dbraw/zinc/09/54/01/649095401.db2.gz UQCWNMHOVSBPSQ-KRWDZBQOSA-N 1 1 306.450 2.497 20 10 DECDMO CC[N@@H+](CCSC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000830993753 649526614 /nfs/dbraw/zinc/52/66/14/649526614.db2.gz BYMQMAPYVRMHBM-UHFFFAOYSA-N 1 1 323.506 2.396 20 10 DECDMO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)ccc1N(C)C ZINC000832549760 649723696 /nfs/dbraw/zinc/72/36/96/649723696.db2.gz DPFIWVHKCMEFDD-MRXNPFEDSA-N 1 1 318.465 2.297 20 10 DECDMO CCOc1cccc(C[N@H+]2CCN(CCOC)CC2(C)C)c1O ZINC000846103438 651307953 /nfs/dbraw/zinc/30/79/53/651307953.db2.gz XJQIPJIGVOAANP-UHFFFAOYSA-N 1 1 322.449 2.334 20 10 DECDMO CCOc1cccc(CN2CC[N@H+](CCOC)CC2(C)C)c1O ZINC000846103438 651307956 /nfs/dbraw/zinc/30/79/56/651307956.db2.gz XJQIPJIGVOAANP-UHFFFAOYSA-N 1 1 322.449 2.334 20 10 DECDMO CCOc1cccc(CN2CC[N@@H+](CCOC)CC2(C)C)c1O ZINC000846103438 651307958 /nfs/dbraw/zinc/30/79/58/651307958.db2.gz XJQIPJIGVOAANP-UHFFFAOYSA-N 1 1 322.449 2.334 20 10 DECDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846110231 651308284 /nfs/dbraw/zinc/30/82/84/651308284.db2.gz XLSDGBIMPPWUIE-CQSZACIVSA-N 1 1 303.761 2.206 20 10 DECDMO Nc1ccc(CCNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848603504 651477770 /nfs/dbraw/zinc/47/77/70/651477770.db2.gz PLLIHGOVQXJHHH-IRXDYDNUSA-N 1 1 316.449 2.127 20 10 DECDMO COc1ccc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)N4C)C2)cc1 ZINC000850489667 651938550 /nfs/dbraw/zinc/93/85/50/651938550.db2.gz WKUNJOAKAKAUKM-DUZACMNTSA-N 1 1 315.461 2.489 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)CC2CC2)c1 ZINC000850544154 651950047 /nfs/dbraw/zinc/95/00/47/651950047.db2.gz CTRMZWCUQPQMNF-DGCLKSJQSA-N 1 1 307.390 2.238 20 10 DECDMO Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000858288563 652296309 /nfs/dbraw/zinc/29/63/09/652296309.db2.gz KYLJSTRUTQXVEG-JSGCOSHPSA-N 1 1 303.406 2.125 20 10 DECDMO COc1ccc(N(C)CC[N@H+](C)C[C@@H](OC)[C@H]2CCOC2)cc1 ZINC000852211648 652364644 /nfs/dbraw/zinc/36/46/44/652364644.db2.gz NKFGLLDMAQKIJN-MAUKXSAKSA-N 1 1 322.449 2.115 20 10 DECDMO Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)ccc1N(C)C ZINC000852653574 652433749 /nfs/dbraw/zinc/43/37/49/652433749.db2.gz WQUXWTBNVQEXNN-MRXNPFEDSA-N 1 1 318.465 2.249 20 10 DECDMO COc1ccc2ccc(O)c(C[N@@H+](C)C[C@H]3COCCO3)c2c1 ZINC000853560641 652568412 /nfs/dbraw/zinc/56/84/12/652568412.db2.gz XQRVGDVHPLGUEV-HNNXBMFYSA-N 1 1 317.385 2.401 20 10 DECDMO OC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000305186202 685281735 /nfs/dbraw/zinc/28/17/35/685281735.db2.gz IUANJCLTRDDMFD-SNVBAGLBSA-N 1 1 300.196 2.359 20 10 DECDMO OC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000305186202 685281740 /nfs/dbraw/zinc/28/17/40/685281740.db2.gz IUANJCLTRDDMFD-SNVBAGLBSA-N 1 1 300.196 2.359 20 10 DECDMO C[C@H](C[NH+]1CCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000079000232 683968897 /nfs/dbraw/zinc/96/88/97/683968897.db2.gz URVUNSVVUOMGKT-QGZVFWFLSA-N 1 1 317.477 2.487 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c1 ZINC000092660601 684044214 /nfs/dbraw/zinc/04/42/14/684044214.db2.gz GKTUEWNAMYRMST-CYBMUJFWSA-N 1 1 306.406 2.268 20 10 DECDMO Fc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000093645517 684050239 /nfs/dbraw/zinc/05/02/39/684050239.db2.gz RJMDVZJFBKLSPA-SFHVURJKSA-N 1 1 320.408 2.273 20 10 DECDMO Fc1cc(C[N@H+]2CCOC[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000093645517 684050245 /nfs/dbraw/zinc/05/02/45/684050245.db2.gz RJMDVZJFBKLSPA-SFHVURJKSA-N 1 1 320.408 2.273 20 10 DECDMO CCCC[N@H+](CC(N)=O)Cc1cccc(Br)c1O ZINC000132868730 684213855 /nfs/dbraw/zinc/21/38/55/684213855.db2.gz UUKVOKBIFYGDAF-UHFFFAOYSA-N 1 1 315.211 2.242 20 10 DECDMO CCCC[N@@H+](CC(N)=O)Cc1cccc(Br)c1O ZINC000132868730 684213858 /nfs/dbraw/zinc/21/38/58/684213858.db2.gz UUKVOKBIFYGDAF-UHFFFAOYSA-N 1 1 315.211 2.242 20 10 DECDMO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000155611219 684276405 /nfs/dbraw/zinc/27/64/05/684276405.db2.gz DTBJZSMRHKJIJV-DLBZAZTESA-N 1 1 318.509 2.429 20 10 DECDMO COCCO[C@@H]1CCC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000193414363 685040350 /nfs/dbraw/zinc/04/03/50/685040350.db2.gz OZALOAJYCVPOLT-OAHLLOKOSA-N 1 1 309.406 2.337 20 10 DECDMO Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c(O)c1O ZINC000246475247 685131090 /nfs/dbraw/zinc/13/10/90/685131090.db2.gz OJLSIFWDTLRUPL-YPMHNXCESA-N 1 1 306.406 2.256 20 10 DECDMO CN(C)c1cc(F)c(C[N@@H+](C)CC2(O)CCOCC2)cc1F ZINC000862335438 686277343 /nfs/dbraw/zinc/27/73/43/686277343.db2.gz GAARIMMKQXPLHG-UHFFFAOYSA-N 1 1 314.376 2.004 20 10 DECDMO O=C1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCN1C1CCC1 ZINC000862551540 686321419 /nfs/dbraw/zinc/32/14/19/686321419.db2.gz SANNTIUJTBUOIJ-CYBMUJFWSA-N 1 1 312.772 2.428 20 10 DECDMO CCOC[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000863310689 686474311 /nfs/dbraw/zinc/47/43/11/686474311.db2.gz NTPZGNFPEGDGKC-AWEZNQCLSA-N 1 1 302.374 2.178 20 10 DECDMO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1[O-] ZINC000863482776 686508096 /nfs/dbraw/zinc/50/80/96/686508096.db2.gz 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Cc1ncccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000858274086 652295215 /nfs/dbraw/zinc/29/52/15/652295215.db2.gz MYNVJXOZYVHAGL-UHFFFAOYSA-N 1 1 310.445 2.432 20 10 DECDMO Cc1ccc(O)c(CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000858279396 652295976 /nfs/dbraw/zinc/29/59/76/652295976.db2.gz ZZFWKWQKQCRNIN-CQSZACIVSA-N 1 1 305.422 2.230 20 10 DECDMO COc1ccc(N(C)CC[N@H+](C)C[C@H](OC)[C@H]2CCOC2)cc1 ZINC000852211650 652364649 /nfs/dbraw/zinc/36/46/49/652364649.db2.gz NKFGLLDMAQKIJN-YJBOKZPZSA-N 1 1 322.449 2.115 20 10 DECDMO C[S@@](=O)C1(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000380161053 685395834 /nfs/dbraw/zinc/39/58/34/685395834.db2.gz AQPGIVBOASWWPI-QGZVFWFLSA-N 1 1 318.236 2.155 20 10 DECDMO CC[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccccc1O ZINC000386537168 685418130 /nfs/dbraw/zinc/41/81/30/685418130.db2.gz IHXKNWNHDJYSRT-MRXNPFEDSA-N 1 1 305.466 2.459 20 10 DECDMO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cccc(C(F)(F)F)c1O ZINC000858523513 685553807 /nfs/dbraw/zinc/55/38/07/685553807.db2.gz RFMDEDJXEFNOJG-GHMZBOCLSA-N 1 1 318.339 2.392 20 10 DECDMO C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(F)cc(F)c1O ZINC000858603046 685566943 /nfs/dbraw/zinc/56/69/43/685566943.db2.gz PURYEBLLZBUOBV-XPTSAGLGSA-N 1 1 310.344 2.474 20 10 DECDMO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000155611094 684276718 /nfs/dbraw/zinc/27/67/18/684276718.db2.gz DTBJZSMRHKJIJV-SJORKVTESA-N 1 1 318.509 2.429 20 10 DECDMO CN(C)c1ccc(C[N@H+](C)Cn2cc3[nH]cccc-3c2=O)cc1 ZINC000190176756 684396958 /nfs/dbraw/zinc/39/69/58/684396958.db2.gz CSJQXMXTBGGEFS-UHFFFAOYSA-N 1 1 310.401 2.193 20 10 DECDMO CN(C)c1ccc(C[N@@H+](C)Cn2cc3[nH]cccc-3c2=O)cc1 ZINC000190176756 684396963 /nfs/dbraw/zinc/39/69/63/684396963.db2.gz CSJQXMXTBGGEFS-UHFFFAOYSA-N 1 1 310.401 2.193 20 10 DECDMO COc1cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c(O)cc1C ZINC000252734230 685194597 /nfs/dbraw/zinc/19/45/97/685194597.db2.gz HUTJZISEQGFKAG-WBVHZDCISA-N 1 1 307.390 2.089 20 10 DECDMO C[N@H+]1C[C@H]2CCN(Cc3c(O)cccc3Br)[C@@H]2C1 ZINC000862372765 686284826 /nfs/dbraw/zinc/28/48/26/686284826.db2.gz AFEJPMYHKNKNGR-ZWNOBZJWSA-N 1 1 311.223 2.291 20 10 DECDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1F ZINC000862413545 686296237 /nfs/dbraw/zinc/29/62/37/686296237.db2.gz RAZMKODLFZOBBU-ABAIWWIYSA-N 1 1 323.387 2.131 20 10 DECDMO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1(C)COC1 ZINC000862478163 686307701 /nfs/dbraw/zinc/30/77/01/686307701.db2.gz ZUORZPRCWXSATM-UHFFFAOYSA-N 1 1 308.397 2.131 20 10 DECDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2noc3c2COCC3)c1 ZINC000930216217 694114114 /nfs/dbraw/zinc/11/41/14/694114114.db2.gz BAYQNRUYBSKXMY-JTQLQIEISA-N 1 1 304.346 2.312 20 10 DECDMO COc1cc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1OC ZINC000866216655 687495579 /nfs/dbraw/zinc/49/55/79/687495579.db2.gz AETLRFSCUSFICM-CQSZACIVSA-N 1 1 323.393 2.388 20 10 DECDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868363173 687991186 /nfs/dbraw/zinc/99/11/86/687991186.db2.gz KCICWJUCIUBDQQ-KGLIPLIRSA-N 1 1 305.422 2.483 20 10 DECDMO COc1ccc(C[NH2+][C@H](C)CCN(C)C)cc1Cn1cccn1 ZINC000873030050 689144164 /nfs/dbraw/zinc/14/41/64/689144164.db2.gz ZVROCCOBASZFOQ-OAHLLOKOSA-N 1 1 316.449 2.370 20 10 DECDMO CC(C)[N@H+]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000874328859 689389301 /nfs/dbraw/zinc/38/93/01/689389301.db2.gz HBXMJYAGIKKVTH-UHFFFAOYSA-N 1 1 317.393 2.405 20 10 DECDMO Cc1[nH+]ccn1CCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875120332 689574590 /nfs/dbraw/zinc/57/45/90/689574590.db2.gz SMALLCANSPFZBP-UHFFFAOYSA-N 1 1 300.362 2.013 20 10 DECDMO Cc1ccc(C[NH+]2CCN(C(=O)N3CCCC3)CC2)c(O)c1 ZINC000876559031 689855996 /nfs/dbraw/zinc/85/59/96/689855996.db2.gz SBLVGTTULIMIOG-UHFFFAOYSA-N 1 1 303.406 2.034 20 10 DECDMO COC[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876725498 689916913 /nfs/dbraw/zinc/91/69/13/689916913.db2.gz LEJCDLUVJQUUAV-INIZCTEOSA-N 1 1 304.434 2.116 20 10 DECDMO COC(=O)CC[N@@H+](Cc1ccc(C)cc1O)C1CCOCC1 ZINC000876774336 689933631 /nfs/dbraw/zinc/93/36/31/689933631.db2.gz RZMMPVNMLYBIEE-UHFFFAOYSA-N 1 1 307.390 2.245 20 10 DECDMO COC(=O)c1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)on1 ZINC000877030338 690002104 /nfs/dbraw/zinc/00/21/04/690002104.db2.gz BPKAUEMTGVDTHI-UHFFFAOYSA-N 1 1 303.362 2.125 20 10 DECDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877501291 690132823 /nfs/dbraw/zinc/13/28/23/690132823.db2.gz NYSDTDFZDOBHSP-GOSISDBHSA-N 1 1 321.417 2.492 20 10 DECDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877562015 690152967 /nfs/dbraw/zinc/15/29/67/690152967.db2.gz VGQIXOONOIWPGR-APWZRJJASA-N 1 1 318.461 2.241 20 10 DECDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000877619858 690169708 /nfs/dbraw/zinc/16/97/08/690169708.db2.gz ARRYIIPKNKXJNI-INIZCTEOSA-N 1 1 304.434 2.387 20 10 DECDMO CC[C@]1(O)CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877690617 690192410 /nfs/dbraw/zinc/19/24/10/690192410.db2.gz CUBKLILLQSOCNV-IBGZPJMESA-N 1 1 318.461 2.385 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)ccc1[N+](=O)[O-] ZINC000877804788 690236783 /nfs/dbraw/zinc/23/67/83/690236783.db2.gz DAZXZCPWKUWDSM-VHRBIJSZSA-N 1 1 322.361 2.356 20 10 DECDMO CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1O ZINC000879571551 690676303 /nfs/dbraw/zinc/67/63/03/690676303.db2.gz BQXPXDKDCDNYGR-MLGOLLRUSA-N 1 1 306.381 2.260 20 10 DECDMO CCN(C)c1ccc(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000879941614 690758107 /nfs/dbraw/zinc/75/81/07/690758107.db2.gz ZPRIZNBSMWXOHL-HOTGVXAUSA-N 1 1 322.474 2.009 20 10 DECDMO CCN(C)c1ccc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000879941614 690758110 /nfs/dbraw/zinc/75/81/10/690758110.db2.gz ZPRIZNBSMWXOHL-HOTGVXAUSA-N 1 1 322.474 2.009 20 10 DECDMO Cc1cc(C[N@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)ccc1N(C)C ZINC000880524028 690917646 /nfs/dbraw/zinc/91/76/46/690917646.db2.gz OIRQFFCHCOGQOF-DOTOQJQBSA-N 1 1 301.434 2.162 20 10 DECDMO Cc1ccc(O)c(CNC(=O)Nc2cc[nH+]c(N(C)C)c2)c1 ZINC000880607670 690940358 /nfs/dbraw/zinc/94/03/58/690940358.db2.gz XIUTUCTUTVETOA-UHFFFAOYSA-N 1 1 300.362 2.483 20 10 DECDMO CCN(C)c1ccc(Cn2cc(Cn3cc[nH+]c3C)nn2)cc1 ZINC000881314870 691070610 /nfs/dbraw/zinc/07/06/10/691070610.db2.gz HQYGHFMYPKHXIG-UHFFFAOYSA-N 1 1 310.405 2.336 20 10 DECDMO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)C(C)C ZINC000883132930 691436989 /nfs/dbraw/zinc/43/69/89/691436989.db2.gz JTBCQRNUOOEEDP-ZDUSSCGKSA-N 1 1 300.349 2.263 20 10 DECDMO CCC[NH+]1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001044354791 691811472 /nfs/dbraw/zinc/81/14/72/691811472.db2.gz ISAMQXODBPOJDT-UHFFFAOYSA-N 1 1 303.366 2.015 20 10 DECDMO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1c(O)cccc1F ZINC000886626794 692138013 /nfs/dbraw/zinc/13/80/13/692138013.db2.gz LCEGWIFQIQFYGY-LLVKDONJSA-N 1 1 315.410 2.397 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC000886810809 692196449 /nfs/dbraw/zinc/19/64/49/692196449.db2.gz DVAQWFFSKRTRRT-CQSZACIVSA-N 1 1 302.340 2.499 20 10 DECDMO COc1ccc(CNC2CC[NH+](CC3CC3)CC2)c(O)c1OC ZINC000892621011 692963965 /nfs/dbraw/zinc/96/39/65/692963965.db2.gz BHRRMQJCNIFPMV-UHFFFAOYSA-N 1 1 320.433 2.373 20 10 DECDMO COc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)c(O)c1OC ZINC000892621011 692963967 /nfs/dbraw/zinc/96/39/67/692963967.db2.gz BHRRMQJCNIFPMV-UHFFFAOYSA-N 1 1 320.433 2.373 20 10 DECDMO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000925322759 693256145 /nfs/dbraw/zinc/25/61/45/693256145.db2.gz BNYDRIGXNFVEQR-HIFRSBDPSA-N 1 1 305.422 2.406 20 10 DECDMO COc1ccc(N2CC[C@@H](CN[C@H]3CC[NH2+]C3(C)C)C2)cc1 ZINC000925709307 693328308 /nfs/dbraw/zinc/32/83/08/693328308.db2.gz UZTPETTZAGHFLP-YOEHRIQHSA-N 1 1 303.450 2.252 20 10 DECDMO [NH3+][C@H]1C[C@H](NCc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000925715109 693328812 /nfs/dbraw/zinc/32/88/12/693328812.db2.gz DGZRMQIHMVBTIY-ROUUACIJSA-N 1 1 315.461 2.007 20 10 DECDMO Cc1cccc(NCCNC(=O)N2Cc3cccc(O)c3C2)[nH+]1 ZINC000927497721 693617066 /nfs/dbraw/zinc/61/70/66/693617066.db2.gz YLMCZJSQRBENJV-UHFFFAOYSA-N 1 1 312.373 2.233 20 10 DECDMO COC(=O)c1c(C[N@H+]2CC[C@](C)(O)C2)c2cc(F)ccc2n1C ZINC001333701213 1150081163 /nfs/dbraw/zinc/08/11/63/1150081163.db2.gz IEAXKMHQSTYZEO-KRWDZBQOSA-N 1 1 320.364 2.061 20 10 DECDMO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)c1 ZINC001348901038 1151207665 /nfs/dbraw/zinc/20/76/65/1151207665.db2.gz SXFUIQUCLXMATO-IIAWOOMASA-N 1 1 302.418 2.437 20 10 DECDMO Cc1cccc(O)c1C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001353593209 1151840785 /nfs/dbraw/zinc/84/07/85/1151840785.db2.gz LHENAQLFYBZPFW-LJQANCHMSA-N 1 1 310.397 2.330 20 10 DECDMO Oc1cc(O)c(C[N@H+]2CCCC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC001144504052 790936058 /nfs/dbraw/zinc/93/60/58/790936058.db2.gz JWGMHDLKFRIDBX-CYBMUJFWSA-N 1 1 321.295 2.083 20 10 DECDMO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)n1 ZINC001144515989 790943339 /nfs/dbraw/zinc/94/33/39/790943339.db2.gz MALSGPDFJGMSRJ-CYBMUJFWSA-N 1 1 316.357 2.160 20 10 DECDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(O)cc(O)cc3O)C2)nc1 ZINC001144516193 790944027 /nfs/dbraw/zinc/94/40/27/790944027.db2.gz SQEYEYUZHGKLRX-ZDUSSCGKSA-N 1 1 316.357 2.160 20 10 DECDMO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001169039893 785013895 /nfs/dbraw/zinc/01/38/95/785013895.db2.gz VKFBVWFIOPFHQA-SMDDNHRTSA-N 1 1 306.362 2.291 20 10 DECDMO CCOC(=O)[C@@H]1CC[C@H]([N@@H+](CC)Cc2ccccc2O)CO1 ZINC001169411377 785183540 /nfs/dbraw/zinc/18/35/40/785183540.db2.gz SFQVMOHTXIMRPM-HOCLYGCPSA-N 1 1 307.390 2.325 20 10 DECDMO CCN(CC)C(=O)C[C@H](C)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001169485853 785199667 /nfs/dbraw/zinc/19/96/67/785199667.db2.gz CIYCYTAUJHZMTG-ZDUSSCGKSA-N 1 1 320.433 2.493 20 10 DECDMO CC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)c3cccnc3c2O)C1 ZINC001169501663 785218687 /nfs/dbraw/zinc/21/86/87/785218687.db2.gz BOWRHMSMJOXZLB-LBPRGKRZSA-N 1 1 319.792 2.304 20 10 DECDMO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CC[S@@](=O)C1 ZINC001116775495 794986468 /nfs/dbraw/zinc/98/64/68/794986468.db2.gz OCOCIZMKNJPWGR-YCRPNKLZSA-N 1 1 306.475 2.487 20 10 DECDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[S@@](=O)C1 ZINC001116775495 794986473 /nfs/dbraw/zinc/98/64/73/794986473.db2.gz OCOCIZMKNJPWGR-YCRPNKLZSA-N 1 1 306.475 2.487 20 10 DECDMO COC(=O)N1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC001117945245 795128745 /nfs/dbraw/zinc/12/87/45/795128745.db2.gz QNQITWASIVTYEK-UHFFFAOYSA-N 1 1 305.422 2.335 20 10 DECDMO CC(C)CC(=O)N1CCC[N@@H+](Cc2ccc(O)cc2O)CC1 ZINC001204280708 795369645 /nfs/dbraw/zinc/36/96/45/795369645.db2.gz NHVRNGUMGRBTKG-UHFFFAOYSA-N 1 1 306.406 2.178 20 10 DECDMO CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1 ZINC001138153107 796172526 /nfs/dbraw/zinc/17/25/26/796172526.db2.gz XXRPTKFAIOYZJR-DZGCQCFKSA-N 1 1 320.433 2.265 20 10 DECDMO Cc1c(CN2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2n1C ZINC001138252866 796188295 /nfs/dbraw/zinc/18/82/95/796188295.db2.gz XCBGQKVCPPESDE-MRXNPFEDSA-N 1 1 313.445 2.393 20 10 DECDMO CN1CCCc2cc(C[N@H+]3CCC[C@@]4(CCNC4=O)C3)ccc21 ZINC001138355406 796204026 /nfs/dbraw/zinc/20/40/26/796204026.db2.gz QBIMJRVOWJALOM-LJQANCHMSA-N 1 1 313.445 2.171 20 10 DECDMO 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NRAFDDRVSJHVHA-IBGZPJMESA-N 1 1 315.461 2.193 20 10 DECDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@]34CCOC4)cc2)CC1 ZINC001139412783 796372722 /nfs/dbraw/zinc/37/27/22/796372722.db2.gz NRAFDDRVSJHVHA-IBGZPJMESA-N 1 1 315.461 2.193 20 10 DECDMO Cc1cc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)ccc1N(C)C ZINC001139671337 796407736 /nfs/dbraw/zinc/40/77/36/796407736.db2.gz JDAYMGMNNCWISO-IAGOWNOFSA-N 1 1 301.434 2.256 20 10 DECDMO Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)ccc1N(C)C ZINC001139671478 796408251 /nfs/dbraw/zinc/40/82/51/796408251.db2.gz WPQCHTQOWJIZQJ-KBAYOESNSA-N 1 1 304.434 2.033 20 10 DECDMO Cc1cc(C[N@H+]2CCC(=O)N3CCC[C@H]3C2)ccc1N(C)C ZINC001139674080 796408811 /nfs/dbraw/zinc/40/88/11/796408811.db2.gz MWTSABRHPDGQJU-INIZCTEOSA-N 1 1 301.434 2.258 20 10 DECDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@]1(C)O ZINC001140282902 796501852 /nfs/dbraw/zinc/50/18/52/796501852.db2.gz JZIJRDGFBHKOLR-HNAYVOBHSA-N 1 1 318.461 2.241 20 10 DECDMO CC(C)[N@@H+](CCCO)Cc1ccc(N2CCC(O)CC2)cc1 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COC(=O)[C@H]1CSCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000840978824 636014446 /nfs/dbraw/zinc/01/44/46/636014446.db2.gz WLJKSKAIWRCKOS-LLVKDONJSA-N 1 1 315.822 2.384 20 10 DECDMO COc1cccc(O)c1C[NH2+]Cc1nc(CN(C)C)cs1 ZINC000922490756 636203388 /nfs/dbraw/zinc/20/33/88/636203388.db2.gz FPPUKICJRMKGHQ-UHFFFAOYSA-N 1 1 307.419 2.209 20 10 DECDMO C[C@H]1CN(c2ccc(CNCc3c[nH]cn3)cc2F)C[C@H](C)O1 ZINC000894193557 636402303 /nfs/dbraw/zinc/40/23/03/636402303.db2.gz RRUGDQDOBNLYIY-STQMWFEESA-N 1 1 318.396 2.452 20 10 DECDMO CC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@H](C)CO ZINC000814169240 636418880 /nfs/dbraw/zinc/41/88/80/636418880.db2.gz FSQKJQINBJNLRX-SECBINFHSA-N 1 1 318.211 2.366 20 10 DECDMO C[C@@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000894286593 636696168 /nfs/dbraw/zinc/69/61/68/636696168.db2.gz PHUPQWBPYUNFRO-BMFZPTHFSA-N 1 1 316.449 2.017 20 10 DECDMO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000894533843 637094342 /nfs/dbraw/zinc/09/43/42/637094342.db2.gz JDSUOJYMMXAOJX-KRWDZBQOSA-N 1 1 306.406 2.200 20 10 DECDMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894533843 637094343 /nfs/dbraw/zinc/09/43/43/637094343.db2.gz JDSUOJYMMXAOJX-KRWDZBQOSA-N 1 1 306.406 2.200 20 10 DECDMO COc1ccc(N2CCC[N@@H+](CCc3cn[nH]c3)CC2)cc1 ZINC000838799482 637653176 /nfs/dbraw/zinc/65/31/76/637653176.db2.gz QXUXAGHJDKWWAS-UHFFFAOYSA-N 1 1 300.406 2.173 20 10 DECDMO CCn1nncc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000838896447 637705482 /nfs/dbraw/zinc/70/54/82/637705482.db2.gz ULBZGAHSKPRSGF-INIZCTEOSA-N 1 1 316.405 2.185 20 10 DECDMO CCn1nncc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000838896447 637705484 /nfs/dbraw/zinc/70/54/84/637705484.db2.gz ULBZGAHSKPRSGF-INIZCTEOSA-N 1 1 316.405 2.185 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000840818212 650361562 /nfs/dbraw/zinc/36/15/62/650361562.db2.gz XRDBWLWEEUTWES-GHMZBOCLSA-N 1 1 303.362 2.324 20 10 DECDMO CCN(CC)c1ccc(C[NH2+][C@@H](C)C2N=NC(=O)N2C)cc1 ZINC000895183732 637762509 /nfs/dbraw/zinc/76/25/09/637762509.db2.gz KIZZCQFUIMKXFE-LBPRGKRZSA-N 1 1 303.410 2.218 20 10 DECDMO CCN(CC)c1ccc(C[NH2+][C@H](C)C2N=NC(=O)N2C)cc1 ZINC000895183731 637762661 /nfs/dbraw/zinc/76/26/61/637762661.db2.gz KIZZCQFUIMKXFE-GFCCVEGCSA-N 1 1 303.410 2.218 20 10 DECDMO COc1ccc(C[N@H+](C)CCN2CCCCC2)c(O)c1OC ZINC000895188728 637769740 /nfs/dbraw/zinc/76/97/40/637769740.db2.gz RAWMBCCFCYMTJF-UHFFFAOYSA-N 1 1 308.422 2.327 20 10 DECDMO COc1ccc(C[N@@H+](C)CCN2CCCCC2)c(O)c1OC ZINC000895188728 637769744 /nfs/dbraw/zinc/76/97/44/637769744.db2.gz RAWMBCCFCYMTJF-UHFFFAOYSA-N 1 1 308.422 2.327 20 10 DECDMO Fc1cc(C[NH+]2CC(C(F)F)C2)ccc1N1CCOCC1 ZINC000839141695 637804398 /nfs/dbraw/zinc/80/43/98/637804398.db2.gz WLYBINBKKNLOFN-UHFFFAOYSA-N 1 1 300.324 2.359 20 10 DECDMO CC[C@H]([NH2+]CCCS(=O)(=O)CC)c1ccc(F)cc1O ZINC000840888435 650372167 /nfs/dbraw/zinc/37/21/67/650372167.db2.gz JZXRLJRKVOFBQM-ZDUSSCGKSA-N 1 1 303.399 2.397 20 10 DECDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CS1 ZINC000840958838 650394793 /nfs/dbraw/zinc/39/47/93/650394793.db2.gz OOZDYNGZBAGKTD-GOEBONIOSA-N 1 1 305.491 2.422 20 10 DECDMO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000840959259 650394910 /nfs/dbraw/zinc/39/49/10/650394910.db2.gz ZWAFZYCVMVNOTJ-SECBINFHSA-N 1 1 300.761 2.095 20 10 DECDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000840959259 650394911 /nfs/dbraw/zinc/39/49/11/650394911.db2.gz ZWAFZYCVMVNOTJ-SECBINFHSA-N 1 1 300.761 2.095 20 10 DECDMO CN(C)c1ccc(C[N@@H+](C)C(C)(C)CN2CCOCC2)cc1F ZINC000840976004 650399156 /nfs/dbraw/zinc/39/91/56/650399156.db2.gz CJRCQGUFJHMFFA-UHFFFAOYSA-N 1 1 323.456 2.434 20 10 DECDMO COc1c(O)c(C[N@H+]2C[C@@H](OC)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000895927080 638269910 /nfs/dbraw/zinc/26/99/10/638269910.db2.gz LVJSQGABOUWFLF-JQWIXIFHSA-N 1 1 310.350 2.308 20 10 DECDMO COc1ccc(N2CCC(NC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000841033556 650410007 /nfs/dbraw/zinc/41/00/07/650410007.db2.gz VHSFYDDLWZWQIT-INIZCTEOSA-N 1 1 303.450 2.396 20 10 DECDMO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000745856415 638294242 /nfs/dbraw/zinc/29/42/42/638294242.db2.gz CLWBGEBHBBQCIX-GDBMZVCRSA-N 1 1 318.465 2.377 20 10 DECDMO COc1ccc(CNCc2cc(N(C)C)cc[nH+]2)c(O)c1OC ZINC000896299015 638455022 /nfs/dbraw/zinc/45/50/22/638455022.db2.gz OGXIRVCNRIYGOL-UHFFFAOYSA-N 1 1 317.389 2.160 20 10 DECDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000748346813 638543761 /nfs/dbraw/zinc/54/37/61/638543761.db2.gz ROQOKSNPNPUIRE-AWEZNQCLSA-N 1 1 312.417 2.265 20 10 DECDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000748346813 638543764 /nfs/dbraw/zinc/54/37/64/638543764.db2.gz ROQOKSNPNPUIRE-AWEZNQCLSA-N 1 1 312.417 2.265 20 10 DECDMO CCCN(CCC)c1ccc(CNC[C@H]2C[NH2+]CCO2)cc1 ZINC000841099630 650430762 /nfs/dbraw/zinc/43/07/62/650430762.db2.gz UISRJXMBFXRYMX-GOSISDBHSA-N 1 1 305.466 2.391 20 10 DECDMO C[C@H](CNC(=O)NCc1ccccc1O)[N@H+]1CCCC[C@H]1C ZINC000748458673 638558352 /nfs/dbraw/zinc/55/83/52/638558352.db2.gz AKPHBPCSVUGKQR-ZIAGYGMSSA-N 1 1 305.422 2.454 20 10 DECDMO CCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000749295966 638632864 /nfs/dbraw/zinc/63/28/64/638632864.db2.gz CZYXZGAGNMIRCK-OAHLLOKOSA-N 1 1 305.374 2.385 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@]2(C)CCCCO2)ccc1[N+](=O)[O-] ZINC000896924783 639079665 /nfs/dbraw/zinc/07/96/65/639079665.db2.gz OMCCIWUMZZCXKJ-HNNXBMFYSA-N 1 1 310.350 2.358 20 10 DECDMO COc1cccc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1O ZINC000897173566 639219941 /nfs/dbraw/zinc/21/99/41/639219941.db2.gz XLBXPAAUHOGPSN-OAHLLOKOSA-N 1 1 321.417 2.154 20 10 DECDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897297743 639384247 /nfs/dbraw/zinc/38/42/47/639384247.db2.gz OBRWTPJWMXKQJI-UWVGGRQHSA-N 1 1 320.414 2.477 20 10 DECDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897297743 639384250 /nfs/dbraw/zinc/38/42/50/639384250.db2.gz OBRWTPJWMXKQJI-UWVGGRQHSA-N 1 1 320.414 2.477 20 10 DECDMO C[N@@H+](CCC1OCCCO1)Cc1ccc(N2CCOCC2)cc1 ZINC000754641551 639454188 /nfs/dbraw/zinc/45/41/88/639454188.db2.gz DXEYNNFPVXJDDE-UHFFFAOYSA-N 1 1 320.433 2.108 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1O ZINC000754742118 639468328 /nfs/dbraw/zinc/46/83/28/639468328.db2.gz QBFFVVDNWNQJCD-INIZCTEOSA-N 1 1 320.433 2.006 20 10 DECDMO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(F)cc(F)c1O ZINC000756792059 639694887 /nfs/dbraw/zinc/69/48/87/639694887.db2.gz XBPOZWRWLPCEBY-VIFPVBQESA-N 1 1 308.332 2.377 20 10 DECDMO CCN(C)c1ccc(C[N@H+]2CCSC[C@H](C(=O)OC)C2)cc1 ZINC000839669666 639798402 /nfs/dbraw/zinc/79/84/02/639798402.db2.gz AABGAWMYKCYTDD-OAHLLOKOSA-N 1 1 322.474 2.481 20 10 DECDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCc1ccc(N)cc1 ZINC000841890840 650594473 /nfs/dbraw/zinc/59/44/73/650594473.db2.gz KRIYITSSHHZVDH-MRXNPFEDSA-N 1 1 318.465 2.231 20 10 DECDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841955313 650611140 /nfs/dbraw/zinc/61/11/40/650611140.db2.gz ZANPWRYLUARYGD-INIZCTEOSA-N 1 1 318.465 2.185 20 10 DECDMO CN(C(=O)NCCc1ccc(N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000841962642 650614188 /nfs/dbraw/zinc/61/41/88/650614188.db2.gz QCNKTPOYASREJT-SJPCQFCGSA-N 1 1 316.449 2.078 20 10 DECDMO O=S1(=O)C[C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)C[C@H]2C1 ZINC000897619348 640870071 /nfs/dbraw/zinc/87/00/71/640870071.db2.gz UCXRGWIALKHXBB-OKILXGFUSA-N 1 1 317.410 2.022 20 10 DECDMO COc1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768437958 641081414 /nfs/dbraw/zinc/08/14/14/641081414.db2.gz LCVFOBHYOIYWBQ-KRWDZBQOSA-N 1 1 315.369 2.459 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](C3CCOCC3)C1)[C@H](O)CO2 ZINC000768466273 641086039 /nfs/dbraw/zinc/08/60/39/641086039.db2.gz XKHNRCNMFPCEOR-CXAGYDPISA-N 1 1 319.401 2.067 20 10 DECDMO CC[N@H+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000769381408 641230239 /nfs/dbraw/zinc/23/02/39/641230239.db2.gz OFJRHPHKDXRGAR-HNNXBMFYSA-N 1 1 321.440 2.188 20 10 DECDMO OCCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000769403534 641233608 /nfs/dbraw/zinc/23/36/08/641233608.db2.gz DEFNKRCUJBZIOA-UHFFFAOYSA-N 1 1 308.397 2.009 20 10 DECDMO CCOc1ccc(C[N@H+](CC)[C@H](C)CS(C)(=O)=O)c(O)c1 ZINC000769422370 641236823 /nfs/dbraw/zinc/23/68/23/641236823.db2.gz AZPOUIRRGUHHEP-GFCCVEGCSA-N 1 1 315.435 2.046 20 10 DECDMO CCOc1ccc(C[N@@H+](CC)[C@H](C)CS(C)(=O)=O)c(O)c1 ZINC000769422370 641236829 /nfs/dbraw/zinc/23/68/29/641236829.db2.gz AZPOUIRRGUHHEP-GFCCVEGCSA-N 1 1 315.435 2.046 20 10 DECDMO C[C@H]1COCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769457045 641242609 /nfs/dbraw/zinc/24/26/09/641242609.db2.gz NIKBNMJIOUNLTC-AWEZNQCLSA-N 1 1 308.397 2.273 20 10 DECDMO CCCN(CCC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000769564975 641260821 /nfs/dbraw/zinc/26/08/21/641260821.db2.gz RVBOJSHHZNULPW-HDICACEKSA-N 1 1 306.450 2.241 20 10 DECDMO CCn1nc(C)c(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1C ZINC000841043682 641451570 /nfs/dbraw/zinc/45/15/70/641451570.db2.gz QAINFLPTKNAPNC-SFHVURJKSA-N 1 1 315.465 2.375 20 10 DECDMO CN(C)c1ccc([C@H](CNCc2ccc(CO)o2)[NH+](C)C)cc1 ZINC000898450289 641661952 /nfs/dbraw/zinc/66/19/52/641661952.db2.gz ACOINESLWNAESU-SFHVURJKSA-N 1 1 317.433 2.230 20 10 DECDMO CCN(C)c1ccc(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000773884239 641836530 /nfs/dbraw/zinc/83/65/30/641836530.db2.gz KNQQLYGVNFGXSQ-MRXNPFEDSA-N 1 1 319.493 2.420 20 10 DECDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@H]1CCOC1 ZINC000774841143 641971865 /nfs/dbraw/zinc/97/18/65/641971865.db2.gz NVUPSMZKIWBTEC-LLVKDONJSA-N 1 1 310.350 2.167 20 10 DECDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@H]1CCOC1 ZINC000774841143 641971870 /nfs/dbraw/zinc/97/18/70/641971870.db2.gz NVUPSMZKIWBTEC-LLVKDONJSA-N 1 1 310.350 2.167 20 10 DECDMO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cn1 ZINC000774963690 641988252 /nfs/dbraw/zinc/98/82/52/641988252.db2.gz JYLQJMXZECRIRW-UHFFFAOYSA-N 1 1 319.317 2.002 20 10 DECDMO COc1c(O)c(C[NH2+]C2CCC(C)(O)CC2)ccc1[N+](=O)[O-] ZINC000775030785 641996511 /nfs/dbraw/zinc/99/65/11/641996511.db2.gz TWWPGMHBKLSKCQ-UHFFFAOYSA-N 1 1 310.350 2.092 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@@H]2CCC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000775047923 641999926 /nfs/dbraw/zinc/99/99/26/641999926.db2.gz OZDKCKPTMRKDCR-GWCFXTLKSA-N 1 1 310.350 2.214 20 10 DECDMO CC[N@H+]1C[C@@H](C)N(Cc2cc(OC)c(OC)cc2O)C[C@@H]1C ZINC000775711488 642083415 /nfs/dbraw/zinc/08/34/15/642083415.db2.gz BJZLPSCSTOECGK-QWHCGFSZSA-N 1 1 308.422 2.324 20 10 DECDMO CCN1C[C@@H](C)[N@H+](Cc2cc(OC)c(OC)cc2O)C[C@@H]1C ZINC000775711488 642083417 /nfs/dbraw/zinc/08/34/17/642083417.db2.gz BJZLPSCSTOECGK-QWHCGFSZSA-N 1 1 308.422 2.324 20 10 DECDMO CCN1C[C@@H](C)[N@@H+](Cc2cc(OC)c(OC)cc2O)C[C@@H]1C ZINC000775711488 642083421 /nfs/dbraw/zinc/08/34/21/642083421.db2.gz BJZLPSCSTOECGK-QWHCGFSZSA-N 1 1 308.422 2.324 20 10 DECDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCSC3)cc2)CC1 ZINC000776232915 642147891 /nfs/dbraw/zinc/14/78/91/642147891.db2.gz UINOJGKDOYVBDJ-MRXNPFEDSA-N 1 1 305.491 2.424 20 10 DECDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000779219042 642473824 /nfs/dbraw/zinc/47/38/24/642473824.db2.gz KWJDAMSLHSLWGI-QGZVFWFLSA-N 1 1 308.397 2.009 20 10 DECDMO COC(=O)[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000781588126 642767353 /nfs/dbraw/zinc/76/73/53/642767353.db2.gz NBBREMKJGSAGFF-QGZVFWFLSA-N 1 1 318.417 2.205 20 10 DECDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3CO[C@H](C)C3)cc2F)CC1 ZINC000842677202 650802937 /nfs/dbraw/zinc/80/29/37/650802937.db2.gz FDRAYSNEWPBXJF-ZBFHGGJFSA-N 1 1 321.440 2.235 20 10 DECDMO Fc1cc(C[N@H+]2CCOCC3(CC3)C2)ccc1N1CCOCC1 ZINC000783600389 643026527 /nfs/dbraw/zinc/02/65/27/643026527.db2.gz ZAKYGHPTFQIGPT-UHFFFAOYSA-N 1 1 320.408 2.275 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCOC[C@@H]2C[C@H]2CCOC2)c1O ZINC000902609109 643083239 /nfs/dbraw/zinc/08/32/39/643083239.db2.gz NVQDTDKQTKXTRQ-ZBFHGGJFSA-N 1 1 321.417 2.337 20 10 DECDMO CCn1cnc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 ZINC000902724108 643121387 /nfs/dbraw/zinc/12/13/87/643121387.db2.gz 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CN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H](CO)C3)cc2)CC1 ZINC000840978334 636012628 /nfs/dbraw/zinc/01/26/28/636012628.db2.gz NIRYUWRLJPCVEC-ZWKOTPCHSA-N 1 1 317.477 2.079 20 10 DECDMO [O-]c1c(F)cc(F)cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000894083442 636104452 /nfs/dbraw/zinc/10/44/52/636104452.db2.gz CWKYCVYWPVRGSV-CHWSQXEVSA-N 1 1 301.358 2.377 20 10 DECDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000894083442 636104455 /nfs/dbraw/zinc/10/44/55/636104455.db2.gz CWKYCVYWPVRGSV-CHWSQXEVSA-N 1 1 301.358 2.377 20 10 DECDMO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2c(O)cccc2Cl)n[nH]1 ZINC000922408577 636161001 /nfs/dbraw/zinc/16/10/01/636161001.db2.gz AIGWFKKNSXWTAB-QMTHXVAHSA-N 1 1 322.796 2.340 20 10 DECDMO CCN1CCC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1=O ZINC000922640325 636295345 /nfs/dbraw/zinc/29/53/45/636295345.db2.gz SWEGIWZVGORZRA-LLVKDONJSA-N 1 1 300.761 2.285 20 10 DECDMO c1cc(N2CCOCC2)ccc1CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000320040950 637527170 /nfs/dbraw/zinc/52/71/70/637527170.db2.gz KMGBZWVOBOPIKZ-RBUKOAKNSA-N 1 1 315.461 2.240 20 10 DECDMO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000320040950 637527185 /nfs/dbraw/zinc/52/71/85/637527185.db2.gz KMGBZWVOBOPIKZ-RBUKOAKNSA-N 1 1 315.461 2.240 20 10 DECDMO OC[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000895151524 637676281 /nfs/dbraw/zinc/67/62/81/637676281.db2.gz KRIJXROHAMIMNL-INIZCTEOSA-N 1 1 322.424 2.399 20 10 DECDMO COc1c(O)c(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000839180121 637811922 /nfs/dbraw/zinc/81/19/22/637811922.db2.gz CJSHUTGXPOUUBM-CHWSQXEVSA-N 1 1 322.361 2.356 20 10 DECDMO COc1c([O-])c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000839182355 637812005 /nfs/dbraw/zinc/81/20/05/637812005.db2.gz MTEIICRRHMYGIQ-LBPRGKRZSA-N 1 1 323.393 2.131 20 10 DECDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CCN1CCN(C)CC1 ZINC000840937530 650389082 /nfs/dbraw/zinc/38/90/82/650389082.db2.gz IVHJDAGVVMGILY-QGZVFWFLSA-N 1 1 318.509 2.177 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000840948296 650393639 /nfs/dbraw/zinc/39/36/39/650393639.db2.gz ORKCLAFCTVNNBI-QZTJIDSGSA-N 1 1 304.434 2.441 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000840948296 650393642 /nfs/dbraw/zinc/39/36/42/650393642.db2.gz ORKCLAFCTVNNBI-QZTJIDSGSA-N 1 1 304.434 2.441 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000840948298 650393748 /nfs/dbraw/zinc/39/37/48/650393748.db2.gz ORKCLAFCTVNNBI-ZWKOTPCHSA-N 1 1 304.434 2.441 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000840948298 650393750 /nfs/dbraw/zinc/39/37/50/650393750.db2.gz ORKCLAFCTVNNBI-ZWKOTPCHSA-N 1 1 304.434 2.441 20 10 DECDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CS1 ZINC000840958841 650395029 /nfs/dbraw/zinc/39/50/29/650395029.db2.gz OOZDYNGZBAGKTD-HOCLYGCPSA-N 1 1 305.491 2.422 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)c1 ZINC000840974883 650397991 /nfs/dbraw/zinc/39/79/91/650397991.db2.gz PKRSDNAUYIWLNM-OAHLLOKOSA-N 1 1 318.417 2.378 20 10 DECDMO c1cc(N2CCOCC2)ccc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895780165 638198988 /nfs/dbraw/zinc/19/89/88/638198988.db2.gz DESQHWOTSKUGLF-IYBDPMFKSA-N 1 1 304.459 2.318 20 10 DECDMO C[C@H]1CC[N@H+](CCNCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000744450463 638222292 /nfs/dbraw/zinc/22/22/92/638222292.db2.gz WCMCCWVMQYSOHK-HNNXBMFYSA-N 1 1 321.440 2.094 20 10 DECDMO C[C@H]1CC[N@@H+](CCNCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000744450463 638222294 /nfs/dbraw/zinc/22/22/94/638222294.db2.gz WCMCCWVMQYSOHK-HNNXBMFYSA-N 1 1 321.440 2.094 20 10 DECDMO C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000841032566 650409543 /nfs/dbraw/zinc/40/95/43/650409543.db2.gz FAFTZQHBFNSLPO-HOCLYGCPSA-N 1 1 321.440 2.140 20 10 DECDMO Oc1cccc(F)c1C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000896639733 638621621 /nfs/dbraw/zinc/62/16/21/638621621.db2.gz FOVLFWIJUQQLPX-UHFFFAOYSA-N 1 1 323.393 2.114 20 10 DECDMO CCO[C@@H](CNCc1cc(Cl)cc(OC)c1O)C[NH+](C)C ZINC000896879535 638753549 /nfs/dbraw/zinc/75/35/49/638753549.db2.gz CXIRTIDHTYECOA-ZDUSSCGKSA-N 1 1 316.829 2.111 20 10 DECDMO C[C@H](NC[C@H](O)C[NH+](C)C)c1ccc(N2CCCCC2)cc1 ZINC000305119007 639461373 /nfs/dbraw/zinc/46/13/73/639461373.db2.gz IXZJXJIZROVLGE-YJBOKZPZSA-N 1 1 305.466 2.250 20 10 DECDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000756414948 639660651 /nfs/dbraw/zinc/66/06/51/639660651.db2.gz ALOKRDMUQVIYHR-AEGPPILISA-N 1 1 318.417 2.456 20 10 DECDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000756414949 639660716 /nfs/dbraw/zinc/66/07/16/639660716.db2.gz ALOKRDMUQVIYHR-CFVMTHIKSA-N 1 1 318.417 2.456 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000756547259 639672258 /nfs/dbraw/zinc/67/22/58/639672258.db2.gz XDCDAHVTAHHJCK-YPMHNXCESA-N 1 1 304.390 2.066 20 10 DECDMO CCc1cc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)[nH]n1 ZINC000756576293 639677279 /nfs/dbraw/zinc/67/72/79/639677279.db2.gz ZLVIQNZHBJKHFW-SNVBAGLBSA-N 1 1 303.362 2.315 20 10 DECDMO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839564352 639755612 /nfs/dbraw/zinc/75/56/12/639755612.db2.gz QIXGJUJZSOJWRQ-YOEHRIQHSA-N 1 1 303.450 2.489 20 10 DECDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000761967328 640367216 /nfs/dbraw/zinc/36/72/16/640367216.db2.gz LZWTUHVFYXTPLT-DOMZBBRYSA-N 1 1 306.406 2.452 20 10 DECDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1CCC[NH2+]1 ZINC000841937787 650606323 /nfs/dbraw/zinc/60/63/23/650606323.db2.gz XSVJUVYHZSPFMD-JTQLQIEISA-N 1 1 318.204 2.250 20 10 DECDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1CCC[NH2+]1 ZINC000841937788 650606331 /nfs/dbraw/zinc/60/63/31/650606331.db2.gz XSVJUVYHZSPFMD-SNVBAGLBSA-N 1 1 318.204 2.250 20 10 DECDMO C[N@H+]1CCCC[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000897563312 640804595 /nfs/dbraw/zinc/80/45/95/640804595.db2.gz KLEPGVCEOMEQCB-ZDUSSCGKSA-N 1 1 303.406 2.149 20 10 DECDMO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000897567550 640808636 /nfs/dbraw/zinc/80/86/36/640808636.db2.gz KWXXYCZQJPTZCC-MRXNPFEDSA-N 1 1 317.389 2.016 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000897567550 640808640 /nfs/dbraw/zinc/80/86/40/640808640.db2.gz KWXXYCZQJPTZCC-MRXNPFEDSA-N 1 1 317.389 2.016 20 10 DECDMO COc1cc(Cl)cc(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1O ZINC000897621421 640871197 /nfs/dbraw/zinc/87/11/97/640871197.db2.gz AHIJCZNGNAXKMH-BLLLJJGKSA-N 1 1 310.825 2.438 20 10 DECDMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OC[C@H]3O)on1 ZINC000768440814 641081518 /nfs/dbraw/zinc/08/15/18/641081518.db2.gz ZFLBOBPQRJNMPJ-UKRRQHHQSA-N 1 1 316.357 2.452 20 10 DECDMO COC(=O)[C@H](C)C[N@@H+](Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000768449330 641083874 /nfs/dbraw/zinc/08/38/74/641083874.db2.gz GELTXXTXYQPFGN-LLVKDONJSA-N 1 1 323.389 2.183 20 10 DECDMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2CC2CC2)c2c1c(F)ccc2O ZINC000769989180 641317626 /nfs/dbraw/zinc/31/76/26/641317626.db2.gz QCOVLWQPRLJBTN-SKDRFNHKSA-N 1 1 317.368 2.266 20 10 DECDMO COC[C@]1(CNCc2c(O)ccc(Cl)c2F)CCC[NH2+]1 ZINC000841067725 641625236 /nfs/dbraw/zinc/62/52/36/641625236.db2.gz PGCPCIUVEKRNNG-CQSZACIVSA-N 1 1 302.777 2.043 20 10 DECDMO CCn1nccc1CNC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449680 641662148 /nfs/dbraw/zinc/66/21/48/641662148.db2.gz IZFAAYDIYWXBPH-SFHVURJKSA-N 1 1 315.465 2.362 20 10 DECDMO Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000773762352 641822522 /nfs/dbraw/zinc/82/25/22/641822522.db2.gz ICXRQQZHJODDPE-LBPRGKRZSA-N 1 1 317.389 2.130 20 10 DECDMO CCN(C)c1ccc(CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000773889409 641836977 /nfs/dbraw/zinc/83/69/77/641836977.db2.gz UYZCPNGHEJQXDU-INIZCTEOSA-N 1 1 319.493 2.420 20 10 DECDMO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000780893580 642685297 /nfs/dbraw/zinc/68/52/97/642685297.db2.gz YFPLSZPSLUBTLL-WMZOPIPTSA-N 1 1 317.477 2.031 20 10 DECDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000780893580 642685299 /nfs/dbraw/zinc/68/52/99/642685299.db2.gz YFPLSZPSLUBTLL-WMZOPIPTSA-N 1 1 317.477 2.031 20 10 DECDMO Cc1cc(Br)c(O)c(C[NH2+]CC2(O)CCC2)c1 ZINC000781629231 642771944 /nfs/dbraw/zinc/77/19/44/642771944.db2.gz FNAUSJNSWZRSKZ-UHFFFAOYSA-N 1 1 300.196 2.468 20 10 DECDMO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC000781905597 642796740 /nfs/dbraw/zinc/79/67/40/642796740.db2.gz OCSQPQQQVXZQRE-SNVBAGLBSA-N 1 1 300.196 2.277 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000781905597 642796742 /nfs/dbraw/zinc/79/67/42/642796742.db2.gz OCSQPQQQVXZQRE-SNVBAGLBSA-N 1 1 300.196 2.277 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC000781905597 642796752 /nfs/dbraw/zinc/79/67/52/642796752.db2.gz OCSQPQQQVXZQRE-SNVBAGLBSA-N 1 1 300.196 2.277 20 10 DECDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cc3c(cc1O)CCCC3)C2 ZINC000902617944 643086304 /nfs/dbraw/zinc/08/63/04/643086304.db2.gz XAWUUXHPSPPKDP-LPHOPBHVSA-N 1 1 314.429 2.358 20 10 DECDMO CCCC[C@@](C)(CO)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000842745740 650816647 /nfs/dbraw/zinc/81/66/47/650816647.db2.gz FRGUKZYFXKYZKC-IBGZPJMESA-N 1 1 319.493 2.469 20 10 DECDMO CO[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1C ZINC000784668604 643162307 /nfs/dbraw/zinc/16/23/07/643162307.db2.gz RRGCFDNTWREPOW-LPHOPBHVSA-N 1 1 317.477 2.295 20 10 DECDMO CO[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1C ZINC000784668604 643162308 /nfs/dbraw/zinc/16/23/08/643162308.db2.gz RRGCFDNTWREPOW-LPHOPBHVSA-N 1 1 317.477 2.295 20 10 DECDMO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000903216454 643292794 /nfs/dbraw/zinc/29/27/94/643292794.db2.gz AZUQDXJJNJIOAI-ZWKOTPCHSA-N 1 1 303.450 2.096 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2COC[C@@H]2C2CC2)c1 ZINC000903436006 643348932 /nfs/dbraw/zinc/34/89/32/643348932.db2.gz GVBWZKPZQVBIPA-COLVAYQJSA-N 1 1 305.374 2.254 20 10 DECDMO C[C@@H]([NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccn(C)n1 ZINC000903447763 643354760 /nfs/dbraw/zinc/35/47/60/643354760.db2.gz CEPGSHBEVLMOSE-KDOFPFPSSA-N 1 1 315.465 2.440 20 10 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C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccc(F)cc1O ZINC000850563421 651953652 /nfs/dbraw/zinc/95/36/52/651953652.db2.gz XSXVDESOANLSFN-GXTWGEPZSA-N 1 1 321.396 2.472 20 10 DECDMO Cc1cc(N(C)C)ccc1CNC(=O)NCC[N@H+](C)C(C)C ZINC000115677618 652185183 /nfs/dbraw/zinc/18/51/83/652185183.db2.gz HAUBUWBDOKXHFY-UHFFFAOYSA-N 1 1 306.454 2.200 20 10 DECDMO C[N@@H+]1CCCC[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000858245108 652287756 /nfs/dbraw/zinc/28/77/56/652287756.db2.gz NFJJOAMKYNBXBR-SFHVURJKSA-N 1 1 317.477 2.345 20 10 DECDMO C[N@H+]1CCCC[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1 ZINC000858245108 652287764 /nfs/dbraw/zinc/28/77/64/652287764.db2.gz NFJJOAMKYNBXBR-SFHVURJKSA-N 1 1 317.477 2.345 20 10 DECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000852636320 652431173 /nfs/dbraw/zinc/43/11/73/652431173.db2.gz RQDJYRPQOHUJOH-HOTGVXAUSA-N 1 1 301.434 2.053 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CCc3c(cccc3C(N)=O)C2)cc1 ZINC000852754965 652451156 /nfs/dbraw/zinc/45/11/56/652451156.db2.gz 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ZINC000858495002 685550961 /nfs/dbraw/zinc/55/09/61/685550961.db2.gz QYCISNJDOXEHLA-CIUDSAMLSA-N 1 1 302.296 2.326 20 10 DECDMO C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1O ZINC000858602210 685566977 /nfs/dbraw/zinc/56/69/77/685566977.db2.gz TWHKHGCGXOEMQR-QWRGUYRKSA-N 1 1 318.339 2.128 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)cc1F ZINC000122700826 684117878 /nfs/dbraw/zinc/11/78/78/684117878.db2.gz ICQRAYVCOLKPDB-ZDUSSCGKSA-N 1 1 307.413 2.369 20 10 DECDMO Oc1ccc(Cl)cc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000127957360 684167533 /nfs/dbraw/zinc/16/75/33/684167533.db2.gz JSDVIMGRCBHUDR-UHFFFAOYSA-N 1 1 304.781 2.158 20 10 DECDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000136847814 684242234 /nfs/dbraw/zinc/24/22/34/684242234.db2.gz AESAMEAUJKFHQT-DOTOQJQBSA-N 1 1 304.434 2.116 20 10 DECDMO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)cc1 ZINC000248186675 685155518 /nfs/dbraw/zinc/15/55/18/685155518.db2.gz XLROPQHRAKZWGE-IAGOWNOFSA-N 1 1 318.509 2.429 20 10 DECDMO CN(C)c1ccc(C[N@@H+](C[C@@H](O)CC2(O)CCC2)C2CC2)cc1 ZINC000859082347 685651426 /nfs/dbraw/zinc/65/14/26/685651426.db2.gz WLWQWKPDCKTWLP-SFHVURJKSA-N 1 1 318.461 2.383 20 10 DECDMO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)[C@@H]1CO ZINC000862336405 686278934 /nfs/dbraw/zinc/27/89/34/686278934.db2.gz DGAABANEGYHVRS-JOYOIKCWSA-N 1 1 300.196 2.357 20 10 DECDMO CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862368681 686284356 /nfs/dbraw/zinc/28/43/56/686284356.db2.gz LAMLHRPLBFTJOL-ZDUSSCGKSA-N 1 1 316.392 2.249 20 10 DECDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862368681 686284360 /nfs/dbraw/zinc/28/43/60/686284360.db2.gz LAMLHRPLBFTJOL-ZDUSSCGKSA-N 1 1 316.392 2.249 20 10 DECDMO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(F)c(N(C)C)cc1F ZINC000862387640 686289572 /nfs/dbraw/zinc/28/95/72/686289572.db2.gz PFIPGGJYAZDYCX-IAQYHMDHSA-N 1 1 314.376 2.003 20 10 DECDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cc(F)c(N(C)C)cc1F ZINC000862387640 686289574 /nfs/dbraw/zinc/28/95/74/686289574.db2.gz PFIPGGJYAZDYCX-IAQYHMDHSA-N 1 1 314.376 2.003 20 10 DECDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@]1(CO)CCOC1 ZINC000862427170 686300426 /nfs/dbraw/zinc/30/04/26/686300426.db2.gz VNIPCKBOGDPCOX-GOSISDBHSA-N 1 1 304.434 2.260 20 10 DECDMO CN1C[C@H]([N@H+](C)Cc2cc(Cl)c(F)cc2O)CCC1=O ZINC000862427936 686301033 /nfs/dbraw/zinc/30/10/33/686301033.db2.gz IEVKJRQWXXIIJI-SNVBAGLBSA-N 1 1 300.761 2.237 20 10 DECDMO CN1C[C@H]([N@@H+](C)Cc2cc(Cl)c(F)cc2O)CCC1=O ZINC000862427936 686301039 /nfs/dbraw/zinc/30/10/39/686301039.db2.gz IEVKJRQWXXIIJI-SNVBAGLBSA-N 1 1 300.761 2.237 20 10 DECDMO CCN(CC)c1ccc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1 ZINC000862519284 686312958 /nfs/dbraw/zinc/31/29/58/686312958.db2.gz ZEKHHVUQRNYNNY-KDURUIRLSA-N 1 1 320.477 2.346 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000862526498 686314560 /nfs/dbraw/zinc/31/45/60/686314560.db2.gz VOSZSZZHFJXLDP-SJORKVTESA-N 1 1 322.474 2.213 20 10 DECDMO CC[N@H+]1CCC[C@@H]1CNC(=S)N1Cc2cccc(O)c2C1 ZINC000865259145 686980970 /nfs/dbraw/zinc/98/09/70/686980970.db2.gz ZWNXWXNQTFLQRK-CYBMUJFWSA-N 1 1 305.447 2.067 20 10 DECDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccnn1C ZINC000865837812 687350386 /nfs/dbraw/zinc/35/03/86/687350386.db2.gz AWDPPTJFHJGKMN-OAHLLOKOSA-N 1 1 313.449 2.023 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC000866446071 687575946 /nfs/dbraw/zinc/57/59/46/687575946.db2.gz SWUQYPTUHKTXST-RHXGIMGWSA-N 1 1 317.385 2.253 20 10 DECDMO C[C@@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1O ZINC000868355885 687988731 /nfs/dbraw/zinc/98/87/31/687988731.db2.gz SMBZINNPGMDHEO-CHWSQXEVSA-N 1 1 303.406 2.237 20 10 DECDMO C[C@H](NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1O ZINC000868397336 688001543 /nfs/dbraw/zinc/00/15/43/688001543.db2.gz SBEPHIBJOJPEBP-HUBLWGQQSA-N 1 1 303.406 2.235 20 10 DECDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001033700401 689588666 /nfs/dbraw/zinc/58/86/66/689588666.db2.gz YAFLKJZVDLWHPM-CYBMUJFWSA-N 1 1 303.366 2.015 20 10 DECDMO CC(C)[C@@H](C(=O)N(C)c1ccc(N)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000877077554 690014019 /nfs/dbraw/zinc/01/40/19/690014019.db2.gz MSFDDJJXJLBWCI-VBQJREDUSA-N 1 1 319.449 2.365 20 10 DECDMO CC(C)[C@@H](C(=O)N(C)c1ccc(N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000877077554 690014021 /nfs/dbraw/zinc/01/40/21/690014021.db2.gz MSFDDJJXJLBWCI-VBQJREDUSA-N 1 1 319.449 2.365 20 10 DECDMO Cc1nnc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000877185444 690039959 /nfs/dbraw/zinc/03/99/59/690039959.db2.gz NDXJYWISPUVZMY-UHFFFAOYSA-N 1 1 318.446 2.097 20 10 DECDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1c(C)cccc1O ZINC000877422212 690107780 /nfs/dbraw/zinc/10/77/80/690107780.db2.gz SJRCGVMQRBAXBW-KGLIPLIRSA-N 1 1 307.390 2.243 20 10 DECDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877501005 690132551 /nfs/dbraw/zinc/13/25/51/690132551.db2.gz KUUIERXYCFVJLA-GOSISDBHSA-N 1 1 321.417 2.492 20 10 DECDMO Cc1ccc(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000877558608 690151308 /nfs/dbraw/zinc/15/13/08/690151308.db2.gz BQYMHJCKTVVEMS-CQSZACIVSA-N 1 1 324.421 2.018 20 10 DECDMO Cc1cccc(O)c1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000877560498 690152066 /nfs/dbraw/zinc/15/20/66/690152066.db2.gz SKJHTZCUKUBUKO-LSDHHAIUSA-N 1 1 310.397 2.482 20 10 DECDMO [O-]c1c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc(F)c1F ZINC000877635936 690174739 /nfs/dbraw/zinc/17/47/39/690174739.db2.gz ICQNEBIGNDGEKJ-CYBMUJFWSA-N 1 1 312.360 2.013 20 10 DECDMO Cc1cccc(O)c1CNc1cc(N2CCN(C)CC2)cc[nH+]1 ZINC000877691372 690192240 /nfs/dbraw/zinc/19/22/40/690192240.db2.gz OCCPWDMFEJGITC-UHFFFAOYSA-N 1 1 312.417 2.460 20 10 DECDMO Cc1ccc(O)c(C[N@@H+](C)CCN2CC3(C2)CCOCC3)c1 ZINC000877766040 690220116 /nfs/dbraw/zinc/22/01/16/690220116.db2.gz WQGKWYYBSKSRGH-UHFFFAOYSA-N 1 1 304.434 2.245 20 10 DECDMO Cc1ccc(O)c(CN(C)CC[NH+]2CC3(C2)CCOCC3)c1 ZINC000877766040 690220120 /nfs/dbraw/zinc/22/01/20/690220120.db2.gz WQGKWYYBSKSRGH-UHFFFAOYSA-N 1 1 304.434 2.245 20 10 DECDMO CCc1cccc(C[N@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c1O ZINC000877784512 690227517 /nfs/dbraw/zinc/22/75/17/690227517.db2.gz HPPDUWXZCCGVBH-HOTGVXAUSA-N 1 1 321.417 2.307 20 10 DECDMO Cc1ncc(CNC(=O)CC[N@H+](C)Cc2ccccc2O)s1 ZINC000878241311 690355862 /nfs/dbraw/zinc/35/58/62/690355862.db2.gz DVEZMNNFRMFBNA-UHFFFAOYSA-N 1 1 319.430 2.295 20 10 DECDMO CCN(C#N)CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000878240846 690356082 /nfs/dbraw/zinc/35/60/82/690356082.db2.gz NMAHELRPAXPBHY-INIZCTEOSA-N 1 1 303.406 2.176 20 10 DECDMO Oc1c(F)cc(F)cc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000883016128 691411702 /nfs/dbraw/zinc/41/17/02/691411702.db2.gz OPGBAFJREMZFGX-UHFFFAOYSA-N 1 1 305.324 2.290 20 10 DECDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CCOCC1 ZINC000883289233 691473577 /nfs/dbraw/zinc/47/35/77/691473577.db2.gz IGWWRHVADHCNSR-MRXNPFEDSA-N 1 1 317.477 2.343 20 10 DECDMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1C[C@]12CCOC2 ZINC000886251481 692036349 /nfs/dbraw/zinc/03/63/49/692036349.db2.gz DINKKYCYYIWSFT-YJBOKZPZSA-N 1 1 319.401 2.184 20 10 DECDMO COC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)[C@@H]1CCCOC1 ZINC000886355832 692064709 /nfs/dbraw/zinc/06/47/09/692064709.db2.gz OMQAGLKVVFELDC-QMTHXVAHSA-N 1 1 301.333 2.202 20 10 DECDMO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1c(O)cccc1F ZINC000886548226 692107087 /nfs/dbraw/zinc/10/70/87/692107087.db2.gz ZIVMFTYKOQEUBB-WPRPVWTQSA-N 1 1 320.286 2.345 20 10 DECDMO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000925322762 693256286 /nfs/dbraw/zinc/25/62/86/693256286.db2.gz BNYDRIGXNFVEQR-ZFWWWQNUSA-N 1 1 305.422 2.406 20 10 DECDMO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000925784462 693341950 /nfs/dbraw/zinc/34/19/50/693341950.db2.gz RUSCCOCIJPCFRI-QWRGUYRKSA-N 1 1 300.349 2.296 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCOC2CCOCC2)c1 ZINC000927080140 693550823 /nfs/dbraw/zinc/55/08/23/693550823.db2.gz PXVVLWGAHKPPNB-LBPRGKRZSA-N 1 1 323.389 2.025 20 10 DECDMO C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O ZINC001345390764 1150886524 /nfs/dbraw/zinc/88/65/24/1150886524.db2.gz FUMRBLFOFLCWLS-CYBMUJFWSA-N 1 1 311.813 2.329 20 10 DECDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001446515386 1184384985 /nfs/dbraw/zinc/38/49/85/1184384985.db2.gz ITJQEGTUVSFDOH-HNNXBMFYSA-N 1 1 320.433 2.125 20 10 DECDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1c(O)cccc1Br ZINC001140100902 776793370 /nfs/dbraw/zinc/79/33/70/776793370.db2.gz FNSLOAPHAFVNIW-ZJUUUORDSA-N 1 1 300.196 2.500 20 10 DECDMO Oc1cc(Cl)ccc1C[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001140468653 777201868 /nfs/dbraw/zinc/20/18/68/777201868.db2.gz SOHXCXPFSWEEKP-ZDUSSCGKSA-N 1 1 305.765 2.489 20 10 DECDMO C[C@H]1C[N@@H+](Cc2cc(Br)c(F)cc2[O-])C[C@H]1O ZINC001144299324 790848604 /nfs/dbraw/zinc/84/86/04/790848604.db2.gz WFTBRFXWGZGFBW-JVXZTZIISA-N 1 1 304.159 2.106 20 10 DECDMO CCCC[N@@H+](CC(N)=O)Cc1ccc(Br)cc1O ZINC000691781663 783476685 /nfs/dbraw/zinc/47/66/85/783476685.db2.gz XRJWSWXYIPMWPE-UHFFFAOYSA-N 1 1 315.211 2.242 20 10 DECDMO COc1cc(CN2CCCO[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139253546 788107372 /nfs/dbraw/zinc/10/73/72/788107372.db2.gz XSLVYJSVYDRYJR-ZDUSSCGKSA-N 1 1 308.422 2.073 20 10 DECDMO CCOc1ccc(N2CCN([C@@H]3CC[N@@H+](CC)C3)CC2)cc1 ZINC001173374289 793707696 /nfs/dbraw/zinc/70/76/96/793707696.db2.gz JXYPCTLJUUCXMU-QGZVFWFLSA-N 1 1 303.450 2.302 20 10 DECDMO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](C)N1CCN(C)CC1 ZINC001177748824 794741885 /nfs/dbraw/zinc/74/18/85/794741885.db2.gz HTVAEGYBCVLVCL-HNNXBMFYSA-N 1 1 314.477 2.212 20 10 DECDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CC[C@@H]2N1 ZINC001118568872 795200961 /nfs/dbraw/zinc/20/09/61/795200961.db2.gz ZHAFBXCPTWLXAZ-WMZOPIPTSA-N 1 1 313.445 2.387 20 10 DECDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1ccc(O)c(O)c1 ZINC001182155803 795615712 /nfs/dbraw/zinc/61/57/12/795615712.db2.gz QVFGYJMUJZFPSM-AWEZNQCLSA-N 1 1 320.433 2.411 20 10 DECDMO CCN1CC[C@]2(CCC[N@H+](Cc3cccc(F)c3O)C2)C1=O ZINC001138127325 796167079 /nfs/dbraw/zinc/16/70/79/796167079.db2.gz 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Oc1ccccc1C[N@H+](Cc1ccco1)C[C@H]1COCCO1 ZINC001324487940 1142087614 /nfs/dbraw/zinc/08/76/14/1142087614.db2.gz LQIGKPQAHINJEC-INIZCTEOSA-N 1 1 303.358 2.403 20 10 DECDMO Oc1cccc2c1C[N@@H+](C[C@@H](O)COc1cccc(F)c1)CC2 ZINC001250805998 1142320724 /nfs/dbraw/zinc/32/07/24/1142320724.db2.gz LQPKTWHAULWXMH-OAHLLOKOSA-N 1 1 317.360 2.329 20 10 DECDMO COc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC001252887332 1142827533 /nfs/dbraw/zinc/82/75/33/1142827533.db2.gz FLCIESCZELLTDL-OAHLLOKOSA-N 1 1 317.385 2.273 20 10 DECDMO C[C@@H]1OCCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1C ZINC001254010942 1143025736 /nfs/dbraw/zinc/02/57/36/1143025736.db2.gz QLFGCCOAZUKSKZ-GJZGRUSLSA-N 1 1 321.440 2.187 20 10 DECDMO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001262590281 1144321957 /nfs/dbraw/zinc/32/19/57/1144321957.db2.gz HLEUQABBIGHRQN-RDDDGLTNSA-N 1 1 318.204 2.106 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c(O)c1 ZINC001308613684 1147481756 /nfs/dbraw/zinc/48/17/56/1147481756.db2.gz 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DECDMO C[N@@H+](CCC(N)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000289534775 131393216 /nfs/dbraw/zinc/39/32/16/131393216.db2.gz HUVITZSFHALMJO-UHFFFAOYSA-N 1 1 314.385 2.278 20 10 DECDMO CCC[N@@H+](CC(=O)NC)Cc1cc(Br)ccc1O ZINC000133294655 401881490 /nfs/dbraw/zinc/88/14/90/401881490.db2.gz LFFLTLUMARWAQC-UHFFFAOYSA-N 1 1 315.211 2.113 20 10 DECDMO O=C(C1CC1)N1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000119081884 401924159 /nfs/dbraw/zinc/92/41/59/401924159.db2.gz XMBHINJQBZBUPL-UHFFFAOYSA-N 1 1 308.809 2.490 20 10 DECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000119879353 401970127 /nfs/dbraw/zinc/97/01/27/401970127.db2.gz YNVVPMWRVLRYKX-INIZCTEOSA-N 1 1 321.490 2.148 20 10 DECDMO CCCOc1ccc(C[NH+]2CCN(C(=O)NCC)CC2)c(O)c1 ZINC000121597040 402045914 /nfs/dbraw/zinc/04/59/14/402045914.db2.gz KPLKEMXPUVWQBT-UHFFFAOYSA-N 1 1 321.421 2.028 20 10 DECDMO Cn1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000070976683 402268311 /nfs/dbraw/zinc/26/83/11/402268311.db2.gz PHNVBFSNVGIMOE-INIZCTEOSA-N 1 1 301.390 2.307 20 10 DECDMO Cc1cc(O)c(C[NH2+][C@H](C)CCN2CCN(C)CC2)cc1C ZINC000185863835 402383954 /nfs/dbraw/zinc/38/39/54/402383954.db2.gz RSQALONCXWRZKJ-MRXNPFEDSA-N 1 1 305.466 2.125 20 10 DECDMO CC[C@H]([NH2+][C@H](C)CCN1CCN(C)CC1)c1ccccc1O ZINC000186427075 402430839 /nfs/dbraw/zinc/43/08/39/402430839.db2.gz IJJDXNJSDDRFRM-WBVHZDCISA-N 1 1 305.466 2.459 20 10 DECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC3(CC3)C2)cc1 ZINC000186995535 402476385 /nfs/dbraw/zinc/47/63/85/402476385.db2.gz MPVKWTXLOROFMD-UHFFFAOYSA-N 1 1 301.434 2.245 20 10 DECDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1O ZINC000179369799 402586986 /nfs/dbraw/zinc/58/69/86/402586986.db2.gz DUWUXUCGXIYVNF-CQSZACIVSA-N 1 1 307.390 2.376 20 10 DECDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](OCCO)C2)c(O)c1 ZINC000179578062 402594850 /nfs/dbraw/zinc/59/48/50/402594850.db2.gz HJZNMGYZHJXVKP-MRXNPFEDSA-N 1 1 309.406 2.154 20 10 DECDMO COc1c(O)c(C[N@@H+](C)CCOCC2CC2)ccc1[N+](=O)[O-] ZINC000278299630 402862995 /nfs/dbraw/zinc/86/29/95/402862995.db2.gz VQCVMIMDGOKDIF-UHFFFAOYSA-N 1 1 310.350 2.167 20 10 DECDMO COc1c(O)c(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000278531848 402867450 /nfs/dbraw/zinc/86/74/50/402867450.db2.gz VGCDIVABKCYCAN-JKSUJKDBSA-N 1 1 322.361 2.356 20 10 DECDMO COc1c(O)c(C[NH2+]CCCc2nccs2)ccc1[N+](=O)[O-] ZINC000278521242 402867505 /nfs/dbraw/zinc/86/75/05/402867505.db2.gz RYTNYQUJBIGELG-UHFFFAOYSA-N 1 1 323.374 2.488 20 10 DECDMO COc1c(O)c(C[NH2+]CC2(O)CCCCC2)ccc1[N+](=O)[O-] ZINC000278619535 402869094 /nfs/dbraw/zinc/86/90/94/402869094.db2.gz FQKQUHLMBQVTSS-UHFFFAOYSA-N 1 1 310.350 2.094 20 10 DECDMO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000278810435 402873530 /nfs/dbraw/zinc/87/35/30/402873530.db2.gz YMRNZXIQZYGXPM-CYBMUJFWSA-N 1 1 304.369 2.023 20 10 DECDMO COc1c(O)c(C[NH2+]CCc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000278868485 402879951 /nfs/dbraw/zinc/87/99/51/402879951.db2.gz MQULEUQIIZKGSS-UHFFFAOYSA-N 1 1 318.329 2.347 20 10 DECDMO CCOC(=O)C[N@H+](Cc1cc(OC)c(OC)cc1O)C(C)C ZINC000271754086 402883809 /nfs/dbraw/zinc/88/38/09/402883809.db2.gz WOGYRPIDKFQBQZ-UHFFFAOYSA-N 1 1 311.378 2.183 20 10 DECDMO CCOC(=O)C[N@@H+](Cc1cc(OC)c(OC)cc1O)C(C)C ZINC000271754086 402883810 /nfs/dbraw/zinc/88/38/10/402883810.db2.gz WOGYRPIDKFQBQZ-UHFFFAOYSA-N 1 1 311.378 2.183 20 10 DECDMO COc1c(O)c(C[NH2+][C@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000278945987 402888966 /nfs/dbraw/zinc/88/89/66/402888966.db2.gz YPBNWKLBLJJILI-GFCCVEGCSA-N 1 1 323.393 2.273 20 10 DECDMO Cc1c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cnn1C ZINC000268962992 403122061 /nfs/dbraw/zinc/12/20/61/403122061.db2.gz YBGVRPYWMNGFRF-UHFFFAOYSA-N 1 1 314.433 2.197 20 10 DECDMO CN(C)c1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1F ZINC000276217516 403154903 /nfs/dbraw/zinc/15/49/03/403154903.db2.gz LRQJHIHKWKKLGH-UHFFFAOYSA-N 1 1 319.424 2.336 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1F ZINC000276217516 403154905 /nfs/dbraw/zinc/15/49/05/403154905.db2.gz LRQJHIHKWKKLGH-UHFFFAOYSA-N 1 1 319.424 2.336 20 10 DECDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1cccc(OC)c1O ZINC000292198730 403318352 /nfs/dbraw/zinc/31/83/52/403318352.db2.gz RJJMZDNTEXKBRA-ZDUSSCGKSA-N 1 1 323.437 2.320 20 10 DECDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC000280619461 286338309 /nfs/dbraw/zinc/33/83/09/286338309.db2.gz ZPGIVZFHGKTBGP-DCGLDWPTSA-N 1 1 307.390 2.169 20 10 DECDMO Cc1cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)ccc1N(C)C ZINC000293478523 403483462 /nfs/dbraw/zinc/48/34/62/403483462.db2.gz FOARYTPZRIALLK-SJLPKXTDSA-N 1 1 317.477 2.356 20 10 DECDMO CC[C@@H](CSC)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299711058 403565076 /nfs/dbraw/zinc/56/50/76/403565076.db2.gz QIJRJFZKGRVWIG-HNNXBMFYSA-N 1 1 323.506 2.442 20 10 DECDMO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)CC2 ZINC000294124315 403654478 /nfs/dbraw/zinc/65/44/78/403654478.db2.gz GNQRGROIKPAXOA-JTQLQIEISA-N 1 1 310.760 2.189 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289832397 404002553 /nfs/dbraw/zinc/00/25/53/404002553.db2.gz UJBXQJXMEPJZRC-DGCLKSJQSA-N 1 1 319.323 2.394 20 10 DECDMO COc1c(O)c(C[NH2+]CC2(OC)CCCC2)ccc1[N+](=O)[O-] ZINC000295993900 404043995 /nfs/dbraw/zinc/04/39/95/404043995.db2.gz KMKMKRMKWUVCBQ-UHFFFAOYSA-N 1 1 310.350 2.358 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](n3cc(Cl)cn3)C1)OCO2 ZINC000290821301 404325751 /nfs/dbraw/zinc/32/57/51/404325751.db2.gz GUDKKHIDVWYVQB-LBPRGKRZSA-N 1 1 321.764 2.418 20 10 DECDMO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000471923669 406129648 /nfs/dbraw/zinc/12/96/48/406129648.db2.gz QALCKUBPUJAUOE-UHFFFAOYSA-N 1 1 314.433 2.380 20 10 DECDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(O)c1O ZINC000189556243 225056817 /nfs/dbraw/zinc/05/68/17/225056817.db2.gz NHWUSZTWFSHARS-CYBMUJFWSA-N 1 1 314.385 2.348 20 10 DECDMO CCOc1cccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1O ZINC000375470882 227151477 /nfs/dbraw/zinc/15/14/77/227151477.db2.gz QUNLWNXARALNFY-GJZGRUSLSA-N 1 1 319.401 2.361 20 10 DECDMO CCOc1cccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1O ZINC000375470882 227151481 /nfs/dbraw/zinc/15/14/81/227151481.db2.gz QUNLWNXARALNFY-GJZGRUSLSA-N 1 1 319.401 2.361 20 10 DECDMO CC[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(F)cc1O ZINC000834849860 649854222 /nfs/dbraw/zinc/85/42/22/649854222.db2.gz GWCFNSPJUISQBB-ZBFHGGJFSA-N 1 1 310.413 2.419 20 10 DECDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)[C@H](C)OC)cc2F)CC1 ZINC000268892156 279374526 /nfs/dbraw/zinc/37/45/26/279374526.db2.gz PCXUSFFWGLSHEU-CABCVRRESA-N 1 1 323.456 2.481 20 10 DECDMO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)c1 ZINC001348901040 1151207776 /nfs/dbraw/zinc/20/77/76/1151207776.db2.gz SXFUIQUCLXMATO-LZWOXQAQSA-N 1 1 302.418 2.437 20 10 DECDMO C[NH+](C)[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000375774412 337019299 /nfs/dbraw/zinc/01/92/99/337019299.db2.gz BRKAFRHUSJYOMY-SFHVURJKSA-N 1 1 317.477 2.439 20 10 DECDMO CC[N@@H+](CCS(C)(=O)=O)Cc1c(O)ccc2ccccc21 ZINC000156927270 521151674 /nfs/dbraw/zinc/15/16/74/521151674.db2.gz 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C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc2cccnc2c1O ZINC000862028001 686225429 /nfs/dbraw/zinc/22/54/29/686225429.db2.gz MTAQKGPMFIXTND-BETUJISGSA-N 1 1 313.401 2.429 20 10 DECDMO CC[C@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@H]1O ZINC000862254294 686267346 /nfs/dbraw/zinc/26/73/46/686267346.db2.gz XSHJEAKDURXVLW-TVQRCGJNSA-N 1 1 300.196 2.357 20 10 DECDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H]1C ZINC000862337957 686278363 /nfs/dbraw/zinc/27/83/63/686278363.db2.gz DQBHZXWLQCPPJF-ZYHUDNBSSA-N 1 1 312.360 2.414 20 10 DECDMO CC1(C)C[N@@H+](Cc2c(O)cccc2Br)C[C@@H]1O ZINC000862352236 686280956 /nfs/dbraw/zinc/28/09/56/686280956.db2.gz ZIPTYFBHHYDACT-LBPRGKRZSA-N 1 1 300.196 2.357 20 10 DECDMO CC1(C)[C@H](O)CC[N@H+]1Cc1c(O)cccc1Br ZINC000862373335 686285068 /nfs/dbraw/zinc/28/50/68/686285068.db2.gz UWSYIZOWWDTHFF-GFCCVEGCSA-N 1 1 300.196 2.500 20 10 DECDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862391855 686291292 /nfs/dbraw/zinc/29/12/92/686291292.db2.gz VODHSTBEZWEUSN-ZJUUUORDSA-N 1 1 300.196 2.357 20 10 DECDMO COc1c(O)c(C[NH2+][C@H](CO)CCC(C)C)ccc1[N+](=O)[O-] ZINC000862480503 686307722 /nfs/dbraw/zinc/30/77/22/686307722.db2.gz DWJTVBBEZQKMPS-LBPRGKRZSA-N 1 1 312.366 2.196 20 10 DECDMO COc1cccc(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1O ZINC000863646833 686540141 /nfs/dbraw/zinc/54/01/41/686540141.db2.gz PXEZNSSDVUHWFQ-NWDGAFQWSA-N 1 1 318.339 2.360 20 10 DECDMO Cc1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)on1 ZINC000865597966 687272208 /nfs/dbraw/zinc/27/22/08/687272208.db2.gz LGOXMCJSNOITRY-UHFFFAOYSA-N 1 1 323.343 2.388 20 10 DECDMO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccccc1O ZINC000868805845 688145663 /nfs/dbraw/zinc/14/56/63/688145663.db2.gz PCFRLXAYHVCPBK-UONOGXRCSA-N 1 1 305.422 2.484 20 10 DECDMO NC(=O)N=Nc1ccc(C(=O)NC2C[NH+](CCC3CC3)C2)cc1 ZINC001031463949 688924539 /nfs/dbraw/zinc/92/45/39/688924539.db2.gz BZOOZGWUTLTONU-UHFFFAOYSA-N 1 1 315.377 2.063 20 10 DECDMO COc1cc(C[N@@H+](C)[C@H]2CCCCN(C)C2=O)c(O)cc1C ZINC000872676863 689063527 /nfs/dbraw/zinc/06/35/27/689063527.db2.gz YLQMKWXPCQAONM-AWEZNQCLSA-N 1 1 306.406 2.152 20 10 DECDMO COCCC1(NCc2ccc(N(C)C)c(F)c2)CC[NH2+]CC1 ZINC000873224752 689188098 /nfs/dbraw/zinc/18/80/98/689188098.db2.gz JVFOXABSKZXWAI-UHFFFAOYSA-N 1 1 309.429 2.140 20 10 DECDMO CN(C)c1ccc(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000873829532 689315427 /nfs/dbraw/zinc/31/54/27/689315427.db2.gz RZOAGQZKJWLJGB-KRWDZBQOSA-N 1 1 301.434 2.386 20 10 DECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000874230973 689371747 /nfs/dbraw/zinc/37/17/47/689371747.db2.gz HOTBOQBLHWRYPU-INIZCTEOSA-N 1 1 303.450 2.443 20 10 DECDMO Cc1ccc(O)c(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000874996135 689555565 /nfs/dbraw/zinc/55/55/65/689555565.db2.gz YAAXNQLZAILEMH-CQSZACIVSA-N 1 1 317.389 2.396 20 10 DECDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000876561860 689857366 /nfs/dbraw/zinc/85/73/66/689857366.db2.gz UXROWLHUTVYQIB-SFHVURJKSA-N 1 1 304.434 2.259 20 10 DECDMO CC[C@H]1COCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876616997 689877833 /nfs/dbraw/zinc/87/78/33/689877833.db2.gz CWIHLPFMYGPRJW-INIZCTEOSA-N 1 1 304.434 2.259 20 10 DECDMO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CCOC1 ZINC000876788965 689937526 /nfs/dbraw/zinc/93/75/26/689937526.db2.gz OQOVXJXEVMJWJT-MRXNPFEDSA-N 1 1 304.434 2.116 20 10 DECDMO C[NH+](C)[C@H](CNCc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876949636 689980853 /nfs/dbraw/zinc/98/08/53/689980853.db2.gz TZAHQGWXDUGEKF-LJQANCHMSA-N 1 1 317.477 2.078 20 10 DECDMO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)on1 ZINC000877419818 690107445 /nfs/dbraw/zinc/10/74/45/690107445.db2.gz VWNJJOPANRATFM-LLVKDONJSA-N 1 1 303.362 2.378 20 10 DECDMO O=C1CC2(C[NH+](Cc3ccccc3O)C2)N1Cc1ccccc1 ZINC000877717304 690202761 /nfs/dbraw/zinc/20/27/61/690202761.db2.gz HDKDSISUXVELAY-UHFFFAOYSA-N 1 1 308.381 2.379 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCCN(C(=O)CC(C)C)CC2)c1 ZINC000877773987 690222370 /nfs/dbraw/zinc/22/23/70/690222370.db2.gz CJHQGGBSJDGBIN-UHFFFAOYSA-N 1 1 320.433 2.481 20 10 DECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000877797234 690233760 /nfs/dbraw/zinc/23/37/60/690233760.db2.gz REMICEVGNSHOHS-GFCCVEGCSA-N 1 1 324.377 2.292 20 10 DECDMO COc1c(O)c(C[N@H+]2CCC[C@@H](C(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000877797234 690233763 /nfs/dbraw/zinc/23/37/63/690233763.db2.gz REMICEVGNSHOHS-GFCCVEGCSA-N 1 1 324.377 2.292 20 10 DECDMO CCCn1nccc1NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000878242189 690355973 /nfs/dbraw/zinc/35/59/73/690355973.db2.gz OAADLKVSGAJKQQ-UHFFFAOYSA-N 1 1 302.378 2.069 20 10 DECDMO CCCn1nccc1NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000878242189 690355977 /nfs/dbraw/zinc/35/59/77/690355977.db2.gz OAADLKVSGAJKQQ-UHFFFAOYSA-N 1 1 302.378 2.069 20 10 DECDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cc[nH]c(=O)c2)cc1 ZINC000878805556 690503637 /nfs/dbraw/zinc/50/36/37/690503637.db2.gz PTQMQPCLMGPDLQ-UHFFFAOYSA-N 1 1 301.390 2.364 20 10 DECDMO Cc1cc(C[NH+]2CCN(CCCCCO)CC2)ccc1N(C)C ZINC000931496149 694412960 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CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1C[C@@]12CCOC2 ZINC000886251478 692035932 /nfs/dbraw/zinc/03/59/32/692035932.db2.gz DINKKYCYYIWSFT-CRAIPNDOSA-N 1 1 319.401 2.184 20 10 DECDMO CN1CCN(c2ccc(C[NH2+]CC[C@H]3CCCO3)cc2)CC1 ZINC000886313994 692053302 /nfs/dbraw/zinc/05/33/02/692053302.db2.gz JFHJZINBKPAOEX-GOSISDBHSA-N 1 1 303.450 2.097 20 10 DECDMO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1c([O-])cccc1F ZINC000886526351 692101986 /nfs/dbraw/zinc/10/19/86/692101986.db2.gz KWJBEPPWICBFST-KBPBESRZSA-N 1 1 310.413 2.419 20 10 DECDMO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886639562 692143722 /nfs/dbraw/zinc/14/37/22/692143722.db2.gz GCQBRISFGNLGBC-JTQLQIEISA-N 1 1 301.383 2.149 20 10 DECDMO C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1c(O)cccc1F ZINC000886639329 692143812 /nfs/dbraw/zinc/14/38/12/692143812.db2.gz AMBNTPNTECQQLZ-CHWSQXEVSA-N 1 1 321.396 2.472 20 10 DECDMO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000895328476 692995651 /nfs/dbraw/zinc/99/56/51/692995651.db2.gz 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Cc1ccc(O)c(C[N@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)c1 ZINC001140624332 796546990 /nfs/dbraw/zinc/54/69/90/796546990.db2.gz RALWSGHDWTWCPC-MRXNPFEDSA-N 1 1 317.433 2.470 20 10 DECDMO COC[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660632 796552518 /nfs/dbraw/zinc/55/25/18/796552518.db2.gz YUJWLGXHGNIZQN-AWEZNQCLSA-N 1 1 308.397 2.131 20 10 DECDMO CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CC[C@@H]21 ZINC001203665261 796556822 /nfs/dbraw/zinc/55/68/22/796556822.db2.gz FEUNZBNJZTVMPO-RISCZKNCSA-N 1 1 308.809 2.488 20 10 DECDMO COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140744994 796566501 /nfs/dbraw/zinc/56/65/01/796566501.db2.gz RWVPLSFDUFRZMV-SJLPKXTDSA-N 1 1 321.417 2.424 20 10 DECDMO Cc1c(O)ccc(C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)c1O ZINC001140749334 796567550 /nfs/dbraw/zinc/56/75/50/796567550.db2.gz VWZAGCSSRTZFBU-UHFFFAOYSA-N 1 1 300.358 2.108 20 10 DECDMO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](NC(=O)NC(C)C)C2)c1O ZINC001140750150 796567616 /nfs/dbraw/zinc/56/76/16/796567616.db2.gz 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CCOC[C@H]1C[N@@H+](Cc2ccccc2O)Cc2cn(C)nc21 ZINC001203551785 800079061 /nfs/dbraw/zinc/07/90/61/800079061.db2.gz NYARPYHSFAXYPD-OAHLLOKOSA-N 1 1 301.390 2.262 20 10 DECDMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC001203585110 800084511 /nfs/dbraw/zinc/08/45/11/800084511.db2.gz LXBYMFLSGVVEDL-HNNXBMFYSA-N 1 1 320.433 2.481 20 10 DECDMO COc1cccc(C[N@H+]2CC[C@@]3(C2)CCCCN3C(C)=O)c1O ZINC001203594136 800086279 /nfs/dbraw/zinc/08/62/79/800086279.db2.gz SRXSMQLAILYVML-GOSISDBHSA-N 1 1 318.417 2.378 20 10 DECDMO COc1cccc(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)c1O ZINC001203595479 800086546 /nfs/dbraw/zinc/08/65/46/800086546.db2.gz DAGLWMHRGWNLFJ-UHFFFAOYSA-N 1 1 318.417 2.235 20 10 DECDMO COc1ccc(C[N@H+]2CCC[C@H](c3noc(C)n3)C2)c(O)c1 ZINC001203621561 800091711 /nfs/dbraw/zinc/09/17/11/800091711.db2.gz XGTVPECRYXTCGE-ZDUSSCGKSA-N 1 1 303.362 2.472 20 10 DECDMO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCCN3C(C)=O)c(O)c1 ZINC001203630813 800094475 /nfs/dbraw/zinc/09/44/75/800094475.db2.gz WLXPQBMIVPVYCB-SFHVURJKSA-N 1 1 318.417 2.378 20 10 DECDMO COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877303 800138199 /nfs/dbraw/zinc/13/81/99/800138199.db2.gz PKHVMADVGKHFRS-DLBZAZTESA-N 1 1 307.390 2.115 20 10 DECDMO C[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CC[C@@]1(O)C(F)(F)F ZINC001204276329 800199178 /nfs/dbraw/zinc/19/91/78/800199178.db2.gz KOFDGLHQOWIUKP-ZANVPECISA-N 1 1 305.296 2.233 20 10 DECDMO COc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(O)cc3O)C2)nc1 ZINC001204278116 800199525 /nfs/dbraw/zinc/19/95/25/800199525.db2.gz UGBIAWLGOCSECP-OAHLLOKOSA-N 1 1 316.357 2.155 20 10 DECDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CCS(=O)(=O)CC1 ZINC001204321033 800204399 /nfs/dbraw/zinc/20/43/99/800204399.db2.gz FDLKCYITAKDBLL-UHFFFAOYSA-N 1 1 322.474 2.296 20 10 DECDMO O=C1NCC[C@@]12CCC[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001204327769 800205112 /nfs/dbraw/zinc/20/51/12/800205112.db2.gz HVKDMTZSVAEHPC-LJQANCHMSA-N 1 1 313.445 2.389 20 10 DECDMO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001204329293 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322.424 2.207 20 10 DECDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](F)C3)cc2)CC1 ZINC000934563226 800389542 /nfs/dbraw/zinc/38/95/42/800389542.db2.gz DSDYVVNDTUGUKC-ZWKOTPCHSA-N 1 1 322.424 2.207 20 10 DECDMO COc1c(O)c(C[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001207738734 800821914 /nfs/dbraw/zinc/82/19/14/800821914.db2.gz KDVCAOJVKCQMIZ-XHDPSFHLSA-N 1 1 324.402 2.494 20 10 DECDMO COc1c(O)c(C[N@H+]2C[C@H]3CSC[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001207738734 800821919 /nfs/dbraw/zinc/82/19/19/800821919.db2.gz KDVCAOJVKCQMIZ-XHDPSFHLSA-N 1 1 324.402 2.494 20 10 DECDMO CC(=O)N1CCC(C[N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001208677526 801044980 /nfs/dbraw/zinc/04/49/80/801044980.db2.gz CJHVZYGZZPJYEX-UHFFFAOYSA-N 1 1 303.450 2.443 20 10 DECDMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccncc3)CC2)c1O ZINC001231594509 801691558 /nfs/dbraw/zinc/69/15/58/801691558.db2.gz JRICQYXGBGHAKX-UHFFFAOYSA-N 1 1 311.385 2.054 20 10 DECDMO COc1cc(CN2CCC([N@@H+](C)C3CC3)CC2)c(O)cc1O ZINC001231639690 801702420 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ZINC000775734423 642086308 /nfs/dbraw/zinc/08/63/08/642086308.db2.gz OYMDDCSDWJACKO-SFHVURJKSA-N 1 1 319.493 2.277 20 10 DECDMO CN1CCN(c2ccc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)cc2)CC1 ZINC000775734423 642086311 /nfs/dbraw/zinc/08/63/11/642086311.db2.gz OYMDDCSDWJACKO-SFHVURJKSA-N 1 1 319.493 2.277 20 10 DECDMO CCOc1ccc(C[N@@H+]2CCN(CC)C(=O)[C@H]2CC)c(O)c1 ZINC000779216999 642473292 /nfs/dbraw/zinc/47/32/92/642473292.db2.gz MZDXJSCFOYOIOI-OAHLLOKOSA-N 1 1 306.406 2.234 20 10 DECDMO CCOc1ccc(C[N@H+]2CCN(CC)C(=O)[C@H]2CC)c(O)c1 ZINC000779216999 642473298 /nfs/dbraw/zinc/47/32/98/642473298.db2.gz MZDXJSCFOYOIOI-OAHLLOKOSA-N 1 1 306.406 2.234 20 10 DECDMO Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c(O)c1O ZINC000780887527 642684399 /nfs/dbraw/zinc/68/43/99/642684399.db2.gz QNNQQKDIABIZDI-CHWSQXEVSA-N 1 1 306.406 2.399 20 10 DECDMO CN1CCN(c2ccc(C[N@@H+]3CCCSCC3)cc2)CC1 ZINC000780893936 642685244 /nfs/dbraw/zinc/68/52/44/642685244.db2.gz VLQMDBMRISEBQU-UHFFFAOYSA-N 1 1 305.491 2.377 20 10 DECDMO CN1CCN(c2ccc(C[N@H+]3CCCSCC3)cc2)CC1 ZINC000780893936 642685245 /nfs/dbraw/zinc/68/52/45/642685245.db2.gz VLQMDBMRISEBQU-UHFFFAOYSA-N 1 1 305.491 2.377 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](OC(F)F)C1)[C@@H](O)CO2 ZINC000781150513 642719772 /nfs/dbraw/zinc/71/97/72/642719772.db2.gz DWFMSEJKTDMQDL-GWCFXTLKSA-N 1 1 315.316 2.022 20 10 DECDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2ccn(C)n2)c1 ZINC000781637055 642772889 /nfs/dbraw/zinc/77/28/89/642772889.db2.gz VRBZVNFUWMRLNF-UHFFFAOYSA-N 1 1 310.195 2.486 20 10 DECDMO COc1cc(C[N@H+]2CCO[C@]3(CCSC3)C2)c(O)cc1C ZINC000842620305 650783966 /nfs/dbraw/zinc/78/39/66/650783966.db2.gz NFFXBMJNRJTFCS-MRXNPFEDSA-N 1 1 309.431 2.417 20 10 DECDMO COCC[N@@H+](Cc1c(O)ccc2ccncc21)[C@@H]1CCOC1 ZINC000782961189 642946667 /nfs/dbraw/zinc/94/66/67/642946667.db2.gz JNISPTXAKJCACC-CQSZACIVSA-N 1 1 302.374 2.178 20 10 DECDMO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)c1ccc(N2CCOCC2)cc1 ZINC000902767106 643137462 /nfs/dbraw/zinc/13/74/62/643137462.db2.gz YVBCNQJVNIMZMY-KGLIPLIRSA-N 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DECDMO CCC[N@H+](Cc1cccc(C)c1O)[C@H](COC)C(=O)OCC ZINC000792183703 644086611 /nfs/dbraw/zinc/08/66/11/644086611.db2.gz CFBCZGHZYUJFCJ-OAHLLOKOSA-N 1 1 309.406 2.491 20 10 DECDMO CCC[N@@H+](Cc1cccc(C)c1O)[C@H](COC)C(=O)OCC ZINC000792183703 644086613 /nfs/dbraw/zinc/08/66/13/644086613.db2.gz CFBCZGHZYUJFCJ-OAHLLOKOSA-N 1 1 309.406 2.491 20 10 DECDMO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000793613652 644279488 /nfs/dbraw/zinc/27/94/88/644279488.db2.gz GXLMGZOUIFBNAW-JKSUJKDBSA-N 1 1 313.353 2.305 20 10 DECDMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000793613652 644279490 /nfs/dbraw/zinc/27/94/90/644279490.db2.gz GXLMGZOUIFBNAW-JKSUJKDBSA-N 1 1 313.353 2.305 20 10 DECDMO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000793697375 644288915 /nfs/dbraw/zinc/28/89/15/644288915.db2.gz GRDJDNMECUGUKT-ZDUSSCGKSA-N 1 1 323.458 2.138 20 10 DECDMO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000796485385 644743478 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Cc1ccc(NCCNC(=O)NCc2cc(C)ccc2O)[nH+]c1 ZINC000927471425 693612195 /nfs/dbraw/zinc/61/21/95/693612195.db2.gz LKGGDBHQAHRCJO-UHFFFAOYSA-N 1 1 314.389 2.315 20 10 DECDMO COc1cc(C)cc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)c1O ZINC001333714239 1150082693 /nfs/dbraw/zinc/08/26/93/1150082693.db2.gz LFNACXAJTLWLFE-GFCCVEGCSA-N 1 1 308.422 2.444 20 10 DECDMO C[C@@H]1CN(C(=O)NCc2ccc(N)cc2)CC[N@H+](C2CCC2)C1 ZINC001346739339 1151019255 /nfs/dbraw/zinc/01/92/55/1151019255.db2.gz PXUVHVFMYLVTHH-AWEZNQCLSA-N 1 1 316.449 2.285 20 10 DECDMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3cccc(Cl)c3O)[C@H]2C1 ZINC001348312888 1151144099 /nfs/dbraw/zinc/14/40/99/1151144099.db2.gz YPGVNIVRTBMJMA-OBJOEFQTSA-N 1 1 323.824 2.185 20 10 DECDMO COc1ccc(N2CCC([NH2+]Cc3csnn3)CC2)cc1 ZINC001351770882 1151609866 /nfs/dbraw/zinc/60/98/66/1151609866.db2.gz LHXIIZRAMCAGFZ-UHFFFAOYSA-N 1 1 304.419 2.305 20 10 DECDMO O=C(CC[N@H+]1CC[C@@H](F)C1)NCc1c(O)ccc2c1CCCC2 ZINC001445899620 1184120058 /nfs/dbraw/zinc/12/00/58/1184120058.db2.gz 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ZINC001116568970 794969656 /nfs/dbraw/zinc/96/96/56/794969656.db2.gz XFSAYHLXJRAOJY-SFYZADRCSA-N 1 1 308.275 2.249 20 10 DECDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC001179691418 795154068 /nfs/dbraw/zinc/15/40/68/795154068.db2.gz NJZWEXMVTDKKCA-CFFRKBPISA-N 1 1 316.401 2.243 20 10 DECDMO C[C@@H](NC(=O)[C@H]1[NH2+]CCOc2ccccc21)c1ccccc1O ZINC001122114996 795728360 /nfs/dbraw/zinc/72/83/60/795728360.db2.gz RGUBHNWTJITUER-PXAZEXFGSA-N 1 1 312.369 2.293 20 10 DECDMO COc1c(O)c(C[NH2+]Cc2ccnc(F)c2)ccc1[N+](=O)[O-] ZINC001183144781 795809811 /nfs/dbraw/zinc/80/98/11/795809811.db2.gz CLAOYVSMOONVNP-UHFFFAOYSA-N 1 1 307.281 2.133 20 10 DECDMO CC(=O)N(C)C1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220065 796184818 /nfs/dbraw/zinc/18/48/18/796184818.db2.gz YPWKRGGZIFYRGZ-UHFFFAOYSA-N 1 1 301.434 2.339 20 10 DECDMO Cc1c(CN2CC([N@@H+](C)[C@H]3CCOC3)C2)c2ccccc2n1C ZINC001138257987 796188238 /nfs/dbraw/zinc/18/82/38/796188238.db2.gz GTSFQQDFJJZKTI-HNNXBMFYSA-N 1 1 313.445 2.392 20 10 DECDMO Cc1c(C[NH+]2CC(N(C)[C@H]3CCOC3)C2)c2ccccc2n1C ZINC001138257987 796188244 /nfs/dbraw/zinc/18/82/44/796188244.db2.gz GTSFQQDFJJZKTI-HNNXBMFYSA-N 1 1 313.445 2.392 20 10 DECDMO Cc1c(C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c2ccccc2n1C ZINC001138253816 796188277 /nfs/dbraw/zinc/18/82/77/796188277.db2.gz HSWAITLHWRNWGC-GDIGMMSISA-N 1 1 314.429 2.458 20 10 DECDMO Oc1c(C[N@@H+]2CCn3cncc3C2)cc2c3c1CCCN3CCC2 ZINC001138339974 796200100 /nfs/dbraw/zinc/20/01/00/796200100.db2.gz OQIXUTNCQBYAGM-UHFFFAOYSA-N 1 1 324.428 2.303 20 10 DECDMO Oc1c(C[N@H+]2CCn3cncc3C2)cc2c3c1CCCN3CCC2 ZINC001138339974 796200102 /nfs/dbraw/zinc/20/01/02/796200102.db2.gz OQIXUTNCQBYAGM-UHFFFAOYSA-N 1 1 324.428 2.303 20 10 DECDMO CN1CCCc2cc(C[N@H+]3CCO[C@@H]4C[C@H](CO)C[C@H]43)ccc21 ZINC001138355653 796204346 /nfs/dbraw/zinc/20/43/46/796204346.db2.gz WBVRDHMMXHQANE-ATZDWAIDSA-N 1 1 316.445 2.041 20 10 DECDMO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357470 796204673 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CN1CCN(c2ccc(C[N@H+]3CCCC[C@](C)(O)C3)cc2)CC1 ZINC001139408430 796373130 /nfs/dbraw/zinc/37/31/30/796373130.db2.gz LYQYIVQREJHVMN-IBGZPJMESA-N 1 1 317.477 2.175 20 10 DECDMO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140062846 796472416 /nfs/dbraw/zinc/47/24/16/796472416.db2.gz GMSBWOHOIANICS-AWEZNQCLSA-N 1 1 319.380 2.494 20 10 DECDMO CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001140062846 796472419 /nfs/dbraw/zinc/47/24/19/796472419.db2.gz GMSBWOHOIANICS-AWEZNQCLSA-N 1 1 319.380 2.494 20 10 DECDMO OC1CCN(c2ccc(C[N@H+]3CCCCC34COC4)cc2)CC1 ZINC001140285543 796501609 /nfs/dbraw/zinc/50/16/09/796501609.db2.gz OCVSHEMNSOLBTH-UHFFFAOYSA-N 1 1 316.445 2.403 20 10 DECDMO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)C(=O)OC ZINC001140288741 796502535 /nfs/dbraw/zinc/50/25/35/796502535.db2.gz UXIJYMMMNIALAP-AWEZNQCLSA-N 1 1 320.433 2.031 20 10 DECDMO CC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)C(=O)OC ZINC001140288741 796502538 /nfs/dbraw/zinc/50/25/38/796502538.db2.gz 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COC[C@@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCO1 ZINC001141077996 796633097 /nfs/dbraw/zinc/63/30/97/796633097.db2.gz ICDMFZJAMFUTJC-SFHVURJKSA-N 1 1 316.445 2.233 20 10 DECDMO CCN1CCC([N@@H+](C)Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143287 796639037 /nfs/dbraw/zinc/63/90/37/796639037.db2.gz SKFQTHXVWLSNAQ-UHFFFAOYSA-N 1 1 303.450 2.431 20 10 DECDMO CC[NH+]1CCC(N(C)Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143287 796639044 /nfs/dbraw/zinc/63/90/44/796639044.db2.gz SKFQTHXVWLSNAQ-UHFFFAOYSA-N 1 1 303.450 2.431 20 10 DECDMO Cc1cncnc1O[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142531088 796748515 /nfs/dbraw/zinc/74/85/15/796748515.db2.gz PJSZFUBVEPKDAO-GFCCVEGCSA-N 1 1 321.327 2.422 20 10 DECDMO Cc1cncnc1O[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142531088 796748520 /nfs/dbraw/zinc/74/85/20/796748520.db2.gz PJSZFUBVEPKDAO-GFCCVEGCSA-N 1 1 321.327 2.422 20 10 DECDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001142530306 796748540 /nfs/dbraw/zinc/74/85/40/796748540.db2.gz 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C[C@@H]1C[C@@H]([NH3+])CN(Cc2c(O)cc(Br)cc2F)C1 ZINC001236046249 1084597894 /nfs/dbraw/zinc/59/78/94/1084597894.db2.gz FJZXAIDWSSHQSX-PSASIEDQSA-N 1 1 317.202 2.463 20 10 DECDMO C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001276055874 1091496675 /nfs/dbraw/zinc/49/66/75/1091496675.db2.gz PRZZIWWFHFQPAX-KRWDZBQOSA-N 1 1 304.390 2.008 20 10 DECDMO C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001276055874 1091496677 /nfs/dbraw/zinc/49/66/77/1091496677.db2.gz PRZZIWWFHFQPAX-KRWDZBQOSA-N 1 1 304.390 2.008 20 10 DECDMO C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001276055874 1091496680 /nfs/dbraw/zinc/49/66/80/1091496680.db2.gz PRZZIWWFHFQPAX-KRWDZBQOSA-N 1 1 304.390 2.008 20 10 DECDMO Oc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)c(O)c1 ZINC001275112656 1091559793 /nfs/dbraw/zinc/55/97/93/1091559793.db2.gz JYJLARMBMLKBQW-OKILXGFUSA-N 1 1 318.417 2.395 20 10 DECDMO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001275217499 1091620184 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C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1O ZINC000263706878 402793973 /nfs/dbraw/zinc/79/39/73/402793973.db2.gz JJXRXVWRLGHMRT-KBPBESRZSA-N 1 1 305.422 2.312 20 10 DECDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)CO[C@@H](C)COC ZINC000278053326 402851526 /nfs/dbraw/zinc/85/15/26/402851526.db2.gz IZVNEIBUQWXJIK-GOEBONIOSA-N 1 1 311.422 2.017 20 10 DECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000278157515 402860522 /nfs/dbraw/zinc/86/05/22/402860522.db2.gz DAWKGMNEWOSFJZ-ZYHUDNBSSA-N 1 1 310.350 2.044 20 10 DECDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000278157515 402860524 /nfs/dbraw/zinc/86/05/24/402860524.db2.gz DAWKGMNEWOSFJZ-ZYHUDNBSSA-N 1 1 310.350 2.044 20 10 DECDMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278332496 402862855 /nfs/dbraw/zinc/86/28/55/402862855.db2.gz ZIYOWBOWGGOASO-GFCCVEGCSA-N 1 1 323.393 2.083 20 10 DECDMO COc1c(O)c(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)ccc1[N+](=O)[O-] ZINC000278486051 402867066 /nfs/dbraw/zinc/86/70/66/402867066.db2.gz KMKGCKUMVLYAIL-OUCADQQQSA-N 1 1 322.361 2.356 20 10 DECDMO COc1c(O)c(C[NH2+][C@H](C)c2cn(C)nc2C)ccc1[N+](=O)[O-] ZINC000278829165 402875799 /nfs/dbraw/zinc/87/57/99/402875799.db2.gz IMQGYNLFCDGAJK-SECBINFHSA-N 1 1 320.349 2.202 20 10 DECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)cc1F ZINC000280398341 402996302 /nfs/dbraw/zinc/99/63/02/402996302.db2.gz XOBTXTWPOZYILO-QGZVFWFLSA-N 1 1 307.413 2.369 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000280250110 402979672 /nfs/dbraw/zinc/97/96/72/402979672.db2.gz KZZAVKXUWFWJAY-DYVFJYSZSA-N 1 1 307.390 2.171 20 10 DECDMO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(F)cc1O ZINC000281009250 403056625 /nfs/dbraw/zinc/05/66/25/403056625.db2.gz OBOOBMYXVGBKHS-SNVBAGLBSA-N 1 1 301.383 2.149 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000281175843 403060498 /nfs/dbraw/zinc/06/04/98/403060498.db2.gz QFPIODFPVBRGLW-SMDDNHRTSA-N 1 1 307.390 2.381 20 10 DECDMO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000268452725 403084535 /nfs/dbraw/zinc/08/45/35/403084535.db2.gz WISRQJXPXHEWGN-UHFFFAOYSA-N 1 1 312.841 2.371 20 10 DECDMO Cc1cc(O)c(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1C ZINC000277713686 403248544 /nfs/dbraw/zinc/24/85/44/403248544.db2.gz WTDLBTHKXGFACA-OAHLLOKOSA-N 1 1 311.447 2.408 20 10 DECDMO COc1cc([N+](=O)[O-])c(N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292405491 403359958 /nfs/dbraw/zinc/35/99/58/403359958.db2.gz VHKGQPAZOZIFSU-MRXNPFEDSA-N 1 1 321.377 2.144 20 10 DECDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000368962877 403916633 /nfs/dbraw/zinc/91/66/33/403916633.db2.gz FICCDEFMJCYFMU-DUFXMDAXSA-N 1 1 324.808 2.140 20 10 DECDMO CCOc1cccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000290521665 404203611 /nfs/dbraw/zinc/20/36/11/404203611.db2.gz QAQFTNODWJVSCE-HNNXBMFYSA-N 1 1 318.417 2.235 20 10 DECDMO CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1O ZINC000367588253 405095363 /nfs/dbraw/zinc/09/53/63/405095363.db2.gz LRJKQWFHWLRLMT-LZWOXQAQSA-N 1 1 308.397 2.435 20 10 DECDMO COc1ccc(O)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000367752032 405143297 /nfs/dbraw/zinc/14/32/97/405143297.db2.gz FMMXFXXFEFHJCA-YXJHDRRASA-N 1 1 320.433 2.084 20 10 DECDMO C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000120863736 287035466 /nfs/dbraw/zinc/03/54/66/287035466.db2.gz GBRZZZCOFHOOTP-DLBZAZTESA-N 1 1 318.509 2.287 20 10 DECDMO C[C@H](CNC(=O)c1cccc(O)c1O)[N@@H+](C)Cc1ccccc1 ZINC000193062515 225149999 /nfs/dbraw/zinc/14/99/99/225149999.db2.gz OETRRZFFQOULAC-CYBMUJFWSA-N 1 1 314.385 2.348 20 10 DECDMO C[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000368540517 227013363 /nfs/dbraw/zinc/01/33/63/227013363.db2.gz YKJGEMCTLSWMEL-QGTPRVQTSA-N 1 1 303.450 2.266 20 10 DECDMO C[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000368540517 227013368 /nfs/dbraw/zinc/01/33/68/227013368.db2.gz YKJGEMCTLSWMEL-QGTPRVQTSA-N 1 1 303.450 2.266 20 10 DECDMO CCOC(=O)CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000173354540 276276893 /nfs/dbraw/zinc/27/68/93/276276893.db2.gz JMMVKADRKMBRLK-HNNXBMFYSA-N 1 1 307.390 2.326 20 10 DECDMO CCOc1cccc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000123558846 276379772 /nfs/dbraw/zinc/37/97/72/276379772.db2.gz CGPYEPWOMFJHHF-UHFFFAOYSA-N 1 1 320.433 2.481 20 10 DECDMO CC(=O)N1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835026082 649868268 /nfs/dbraw/zinc/86/82/68/649868268.db2.gz PIWVZQJTGATURN-YVACAVLKSA-N 1 1 301.434 2.318 20 10 DECDMO CC(=O)N1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835026082 649868270 /nfs/dbraw/zinc/86/82/70/649868270.db2.gz PIWVZQJTGATURN-YVACAVLKSA-N 1 1 301.434 2.318 20 10 DECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCCC[C@H]2CC(N)=O)cc1 ZINC000835028477 649868685 /nfs/dbraw/zinc/86/86/85/649868685.db2.gz RKFCMELKTYDYEA-RTRPANQVSA-N 1 1 301.434 2.496 20 10 DECDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)CCOC)cc2F)CC1 ZINC000155310210 521698135 /nfs/dbraw/zinc/69/81/35/521698135.db2.gz OYMABDXBUDIJER-OAHLLOKOSA-N 1 1 323.456 2.482 20 10 DECDMO O=C([C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1)N1CCCC1 ZINC000377860013 534591240 /nfs/dbraw/zinc/59/12/40/534591240.db2.gz KCPLVYPYPPWTLV-GFCCVEGCSA-N 1 1 308.809 2.490 20 10 DECDMO COc1cc(O)c(C[N@H+](C)CC2(N(C)C)CCC2)cc1OC ZINC000189794393 522768501 /nfs/dbraw/zinc/76/85/01/522768501.db2.gz IXLGEBXCFLWKGP-UHFFFAOYSA-N 1 1 308.422 2.326 20 10 DECDMO COc1cc(O)c(C[N@@H+](C)CC2(N(C)C)CCC2)cc1OC ZINC000189794393 522768508 /nfs/dbraw/zinc/76/85/08/522768508.db2.gz IXLGEBXCFLWKGP-UHFFFAOYSA-N 1 1 308.422 2.326 20 10 DECDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000161301975 523261516 /nfs/dbraw/zinc/26/15/16/523261516.db2.gz IMOVHVCAWCZHBB-QGZVFWFLSA-N 1 1 322.474 2.296 20 10 DECDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000161301975 523261526 /nfs/dbraw/zinc/26/15/26/523261526.db2.gz IMOVHVCAWCZHBB-QGZVFWFLSA-N 1 1 322.474 2.296 20 10 DECDMO Cc1ccc(O)c(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000267906179 525353527 /nfs/dbraw/zinc/35/35/27/525353527.db2.gz AXTDMMCCLDMRTP-CQSZACIVSA-N 1 1 303.383 2.319 20 10 DECDMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000179918172 526776997 /nfs/dbraw/zinc/77/69/97/526776997.db2.gz XQSPKVGUWVWDQF-HNNXBMFYSA-N 1 1 318.348 2.405 20 10 DECDMO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179918172 526777002 /nfs/dbraw/zinc/77/70/02/526777002.db2.gz XQSPKVGUWVWDQF-HNNXBMFYSA-N 1 1 318.348 2.405 20 10 DECDMO Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000237534936 527445740 /nfs/dbraw/zinc/44/57/40/527445740.db2.gz OCVXLXJBVNYENY-LLVKDONJSA-N 1 1 304.350 2.231 20 10 DECDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180276618 527468359 /nfs/dbraw/zinc/46/83/59/527468359.db2.gz ODLUAIZFHJZUOW-BLLLJJGKSA-N 1 1 319.380 2.210 20 10 DECDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000285196216 536861111 /nfs/dbraw/zinc/86/11/11/536861111.db2.gz QRLGDSGFMWYXGQ-OCCSQVGLSA-N 1 1 322.361 2.452 20 10 DECDMO C[C@@H]1OCC[C@H]1[N@H+](C/C=C/c1ccc(N(C)C)cc1)CCO ZINC000835055683 649872996 /nfs/dbraw/zinc/87/29/96/649872996.db2.gz XLVKTDFAUPHBKP-PUBSZHEZSA-N 1 1 304.434 2.238 20 10 DECDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000835079913 649876320 /nfs/dbraw/zinc/87/63/20/649876320.db2.gz FZEVBFAZKGSSSK-VXGBXAGGSA-N 1 1 300.196 2.466 20 10 DECDMO Cn1c[nH+]c2cc(NCc3cccc(-c4nn[nH]n4)c3)ccc21 ZINC000822698970 607317978 /nfs/dbraw/zinc/31/79/78/607317978.db2.gz JVEFCCVIYTXGEH-UHFFFAOYSA-N 1 1 305.345 2.366 20 10 DECDMO COc1ccc(C[N@@H+]2CCC[C@@H]2CN2CCCC2)c(O)c1OC ZINC000891821338 624615702 /nfs/dbraw/zinc/61/57/02/624615702.db2.gz APYXNRLMMMNBRH-OAHLLOKOSA-N 1 1 320.433 2.470 20 10 DECDMO COc1ccc(C[N@H+]2CCC[C@@H]2CN2CCCC2)c(O)c1OC ZINC000891821338 624615704 /nfs/dbraw/zinc/61/57/04/624615704.db2.gz APYXNRLMMMNBRH-OAHLLOKOSA-N 1 1 320.433 2.470 20 10 DECDMO O=C1CC2(CN1)CC[NH+](Cc1cc(Cl)c(F)cc1O)CC2 ZINC000295308845 625151821 /nfs/dbraw/zinc/15/18/21/625151821.db2.gz KKSSWKZIFNUAAI-UHFFFAOYSA-N 1 1 312.772 2.287 20 10 DECDMO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000894095914 636111424 /nfs/dbraw/zinc/11/14/24/636111424.db2.gz SIRNLKMMKVTSDT-LLVKDONJSA-N 1 1 308.332 2.174 20 10 DECDMO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000894095914 636111426 /nfs/dbraw/zinc/11/14/26/636111426.db2.gz SIRNLKMMKVTSDT-LLVKDONJSA-N 1 1 308.332 2.174 20 10 DECDMO COc1ccc(C[N@@H+](CC2CCC2)[C@H](C)CO)c(O)c1OC ZINC000894282859 636682589 /nfs/dbraw/zinc/68/25/89/636682589.db2.gz AAQVBYDRBBBVGQ-GFCCVEGCSA-N 1 1 309.406 2.392 20 10 DECDMO COc1cc(C)cc(C[NH2+][C@H](C)c2nnc3n2CCC3)c1O ZINC000894413418 637021865 /nfs/dbraw/zinc/02/18/65/637021865.db2.gz BXTBWJJKWHQCBS-LLVKDONJSA-N 1 1 302.378 2.098 20 10 DECDMO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000894505223 637076011 /nfs/dbraw/zinc/07/60/11/637076011.db2.gz YTQXUYWEODFFMU-AWEZNQCLSA-N 1 1 306.406 2.152 20 10 DECDMO CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894505223 637076017 /nfs/dbraw/zinc/07/60/17/637076017.db2.gz YTQXUYWEODFFMU-AWEZNQCLSA-N 1 1 306.406 2.152 20 10 DECDMO c1cc(N2CCOCC2)ccc1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923413890 637167128 /nfs/dbraw/zinc/16/71/28/637167128.db2.gz JLGJSZPFXSXZJV-IEBWSBKVSA-N 1 1 315.461 2.097 20 10 DECDMO Cc1ccc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c(O)c1 ZINC000895004169 637365166 /nfs/dbraw/zinc/36/51/66/637365166.db2.gz LNJPRCLNKQEPJB-SJORKVTESA-N 1 1 310.397 2.402 20 10 DECDMO Cc1cccc(O)c1C[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000895006238 637368423 /nfs/dbraw/zinc/36/84/23/637368423.db2.gz ZWZCTPWEESQQPH-SJORKVTESA-N 1 1 310.397 2.402 20 10 DECDMO OC[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895151993 637676222 /nfs/dbraw/zinc/67/62/22/637676222.db2.gz XERAHZPCZNAENE-SFHVURJKSA-N 1 1 318.461 2.385 20 10 DECDMO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1N=NC(=O)N1C ZINC000895185076 637763362 /nfs/dbraw/zinc/76/33/62/637763362.db2.gz WAEFRPCVSJXEPG-ZDUSSCGKSA-N 1 1 315.421 2.362 20 10 DECDMO COc1c(O)c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000839147083 637789018 /nfs/dbraw/zinc/78/90/18/637789018.db2.gz CNQDBTPXJKLKTQ-TXEJJXNPSA-N 1 1 310.350 2.355 20 10 DECDMO C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000839499475 637897733 /nfs/dbraw/zinc/89/77/33/637897733.db2.gz VVPCZBNWJAPGRG-GJZGRUSLSA-N 1 1 303.450 2.489 20 10 DECDMO COc1ccc(N2CC[C@H]([NH2+]Cc3nnc(C)s3)C2)cc1 ZINC000895311451 637914055 /nfs/dbraw/zinc/91/40/55/637914055.db2.gz ZBHOSRIRPVPGML-LBPRGKRZSA-N 1 1 304.419 2.224 20 10 DECDMO Cc1cc(O)c(C[NH+]2CCN(c3cccnn3)CC2)c(Cl)c1 ZINC000840915456 650379652 /nfs/dbraw/zinc/37/96/52/650379652.db2.gz ITYLWZHKZFEEBS-UHFFFAOYSA-N 1 1 318.808 2.466 20 10 DECDMO CCS(=O)(=O)CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000840973215 650397805 /nfs/dbraw/zinc/39/78/05/650397805.db2.gz GPLAPGQJLKLHHS-UHFFFAOYSA-N 1 1 309.790 2.099 20 10 DECDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cnc3ccccn23)cc1 ZINC000841042358 650411651 /nfs/dbraw/zinc/41/16/51/650411651.db2.gz IWCXJULKTYEDLD-KRWDZBQOSA-N 1 1 309.417 2.190 20 10 DECDMO COc1cccc(O)c1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044002 650412685 /nfs/dbraw/zinc/41/26/85/650412685.db2.gz SPHHQWJSFATYLG-MRXNPFEDSA-N 1 1 315.417 2.256 20 10 DECDMO CCCN(CCC)c1ccc(CNC[C@@H]2C[NH2+]CCO2)cc1 ZINC000841099631 650430665 /nfs/dbraw/zinc/43/06/65/650430665.db2.gz UISRJXMBFXRYMX-SFHVURJKSA-N 1 1 305.466 2.391 20 10 DECDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000896960200 639094734 /nfs/dbraw/zinc/09/47/34/639094734.db2.gz KQFDIPNRFPGKEJ-JTQLQIEISA-N 1 1 313.781 2.439 20 10 DECDMO Nc1ccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000841298913 650471243 /nfs/dbraw/zinc/47/12/43/650471243.db2.gz UHDXYTLUIYNSBS-JKSUJKDBSA-N 1 1 318.421 2.034 20 10 DECDMO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756461155 639664102 /nfs/dbraw/zinc/66/41/02/639664102.db2.gz WBHRIPCWNYWRHG-JQWIXIFHSA-N 1 1 303.349 2.355 20 10 DECDMO COc1cc(C[N@@H+](C)[C@H]2CCNC2=O)c(O)c(C(C)(C)C)c1 ZINC000758406308 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COc1ccc(O)c(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000825124595 648707348 /nfs/dbraw/zinc/70/73/48/648707348.db2.gz SZDWWJDMVNFVLW-TVQRCGJNSA-N 1 1 305.296 2.146 20 10 DECDMO COC[C@]1(CO)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000825158613 648714732 /nfs/dbraw/zinc/71/47/32/648714732.db2.gz SGQHRFZCGPCWAU-CQSZACIVSA-N 1 1 303.761 2.016 20 10 DECDMO COC[C@]1(CO)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000825158613 648714735 /nfs/dbraw/zinc/71/47/35/648714735.db2.gz SGQHRFZCGPCWAU-CQSZACIVSA-N 1 1 303.761 2.016 20 10 DECDMO Cc1cc(O)c(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1Cl ZINC000825519752 648774904 /nfs/dbraw/zinc/77/49/04/648774904.db2.gz KVVXHFCVPTWOMI-ZDUSSCGKSA-N 1 1 323.824 2.390 20 10 DECDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000826569928 648880811 /nfs/dbraw/zinc/88/08/11/648880811.db2.gz UQVDDMSXRUCXOI-LBPRGKRZSA-N 1 1 322.380 2.041 20 10 DECDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H](N3CCOC3=O)C2)cc1 ZINC000826999913 648959138 /nfs/dbraw/zinc/95/91/38/648959138.db2.gz DLYGWDIPUNVVMN-CWIOURORSA-N 1 1 315.417 2.292 20 10 DECDMO COc1c(O)c(C[N@H+]2CCC[C@@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000827152354 648982910 /nfs/dbraw/zinc/98/29/10/648982910.db2.gz SLPCQBDDMKDFEA-INIZCTEOSA-N 1 1 322.361 2.046 20 10 DECDMO CCc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544604 649049324 /nfs/dbraw/zinc/04/93/24/649049324.db2.gz GDPVOSLGJJHZFQ-HNNXBMFYSA-N 1 1 305.422 2.142 20 10 DECDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@]1(C)CO ZINC000827700633 649070789 /nfs/dbraw/zinc/07/07/89/649070789.db2.gz WAYVNDVNUBHQDN-KBXCAEBGSA-N 1 1 322.424 2.113 20 10 DECDMO C[C@H](NC(=O)CCCC[NH+]1CCOCC1)c1ccccc1O ZINC000827969415 649112544 /nfs/dbraw/zinc/11/25/44/649112544.db2.gz LQLMEJBDBMOGRY-AWEZNQCLSA-N 1 1 306.406 2.072 20 10 DECDMO COc1ccc(N2CC[NH+](Cc3cccnc3N)CC2)cc1F ZINC000828032639 649123467 /nfs/dbraw/zinc/12/34/67/649123467.db2.gz YCHROCUDUPAYRI-UHFFFAOYSA-N 1 1 316.380 2.134 20 10 DECDMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000071950747 649244238 /nfs/dbraw/zinc/24/42/38/649244238.db2.gz SNTUCYNJXCOTHM-AWEZNQCLSA-N 1 1 303.450 2.441 20 10 DECDMO COc1ccc(N(C)CC[N@@H+](C)CCn2cc(C)cn2)cc1 ZINC000844400241 651122808 /nfs/dbraw/zinc/12/28/08/651122808.db2.gz YBFQPTMAJFIKEA-UHFFFAOYSA-N 1 1 302.422 2.268 20 10 DECDMO COC(=O)CC1([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000846027600 651302949 /nfs/dbraw/zinc/30/29/49/651302949.db2.gz SVKKURISBHWSMA-UHFFFAOYSA-N 1 1 314.179 2.340 20 10 DECDMO COc1ccc(N2CC[NH+](Cc3ccccn3)CC2)c(OC)c1 ZINC000846745848 651348931 /nfs/dbraw/zinc/34/89/31/651348931.db2.gz QXQHEIIHEQLUKQ-UHFFFAOYSA-N 1 1 313.401 2.421 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](OC3CCC3)C1)[C@H](O)CO2 ZINC000848498403 651464047 /nfs/dbraw/zinc/46/40/47/651464047.db2.gz SCBLLJWPKFGMST-RHSMWYFYSA-N 1 1 319.401 2.352 20 10 DECDMO O=C1O[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)CN1C1CC1 ZINC000848578379 651474217 /nfs/dbraw/zinc/47/42/17/651474217.db2.gz WPHMXBZPEFYAJK-SECBINFHSA-N 1 1 314.744 2.258 20 10 DECDMO [NH3+]C[C@@H](NCc1cccc(Br)c1O)C(F)(F)F ZINC000848716180 651495949 /nfs/dbraw/zinc/49/59/49/651495949.db2.gz UVVDLFSLLFEVAJ-MRVPVSSYSA-N 1 1 313.117 2.134 20 10 DECDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000855289843 651666073 /nfs/dbraw/zinc/66/60/73/651666073.db2.gz VSYXRKPUYXHESQ-VGVVRCBHSA-N 1 1 304.390 2.100 20 10 DECDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000855289844 651666623 /nfs/dbraw/zinc/66/66/23/651666623.db2.gz VSYXRKPUYXHESQ-VUDGCMKMSA-N 1 1 304.390 2.100 20 10 DECDMO CCN1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850565542 651953790 /nfs/dbraw/zinc/95/37/90/651953790.db2.gz GHZOUAGULDSUEF-UHFFFAOYSA-N 1 1 317.477 2.222 20 10 DECDMO C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccc(F)cc1O ZINC000850563424 651953810 /nfs/dbraw/zinc/95/38/10/651953810.db2.gz XSXVDESOANLSFN-TZMCWYRMSA-N 1 1 321.396 2.472 20 10 DECDMO CC(C)CC[C@@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000858241686 652287035 /nfs/dbraw/zinc/28/70/35/652287035.db2.gz YBKDASWDNIOBBV-SFHVURJKSA-N 1 1 319.493 2.325 20 10 DECDMO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)cc1F ZINC000858341379 652312312 /nfs/dbraw/zinc/31/23/12/652312312.db2.gz COHCQRALOAUSAT-OAHLLOKOSA-N 1 1 323.387 2.274 20 10 DECDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@]2(COC)C(=O)OC)cc1 ZINC000852635918 652431066 /nfs/dbraw/zinc/43/10/66/652431066.db2.gz XYLKTEXHHHRQAN-SFHVURJKSA-N 1 1 320.433 2.297 20 10 DECDMO CCN(C)c1ccc(C[N@H+]2CCC[C@]2(COC)C(=O)OC)cc1 ZINC000852635918 652431068 /nfs/dbraw/zinc/43/10/68/652431068.db2.gz XYLKTEXHHHRQAN-SFHVURJKSA-N 1 1 320.433 2.297 20 10 DECDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@](C)(C(F)F)O1 ZINC000853628604 652580818 /nfs/dbraw/zinc/58/08/18/652580818.db2.gz BYBDWVKUDFGJDG-PSLIRLAXSA-N 1 1 315.316 2.365 20 10 DECDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@](C)(C(F)F)O1 ZINC000853628604 652580821 /nfs/dbraw/zinc/58/08/21/652580821.db2.gz BYBDWVKUDFGJDG-PSLIRLAXSA-N 1 1 315.316 2.365 20 10 DECDMO C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1O ZINC000858549156 685556548 /nfs/dbraw/zinc/55/65/48/685556548.db2.gz TWHKHGCGXOEMQR-GHMZBOCLSA-N 1 1 318.339 2.128 20 10 DECDMO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000858580256 685561616 /nfs/dbraw/zinc/56/16/16/685561616.db2.gz MSBMHQSBDUEODL-IUCAKERBSA-N 1 1 320.311 2.470 20 10 DECDMO CCN(CC)c1ccc(CNC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000080069689 683977848 /nfs/dbraw/zinc/97/78/48/683977848.db2.gz OMFXKHBZSIOEKZ-UHFFFAOYSA-N 1 1 318.465 2.380 20 10 DECDMO CCOc1cccc(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)c1O ZINC000092100854 684040626 /nfs/dbraw/zinc/04/06/26/684040626.db2.gz BAXOUJDONRLAEX-CQSZACIVSA-N 1 1 306.406 2.091 20 10 DECDMO CC(C)[N@@H+](C)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126728776 684156277 /nfs/dbraw/zinc/15/62/77/684156277.db2.gz RTUBTOSNTMXYER-UHFFFAOYSA-N 1 1 316.449 2.202 20 10 DECDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1F ZINC000862397989 686291954 /nfs/dbraw/zinc/29/19/54/686291954.db2.gz SMPFKYYIOBLJNT-ZDUSSCGKSA-N 1 1 321.375 2.459 20 10 DECDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](n3ccnn3)C2)cc1F ZINC000862397989 686291957 /nfs/dbraw/zinc/29/19/57/686291957.db2.gz SMPFKYYIOBLJNT-ZDUSSCGKSA-N 1 1 321.375 2.459 20 10 DECDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H]1C ZINC000862398980 686292096 /nfs/dbraw/zinc/29/20/96/686292096.db2.gz SXNFARUNUOVESG-ZYHUDNBSSA-N 1 1 312.360 2.272 20 10 DECDMO Cc1ccc(O)c(CNC(=O)c2cc(C[NH+]3CCCC3)on2)c1 ZINC000862755226 686368223 /nfs/dbraw/zinc/36/82/23/686368223.db2.gz FBVXSGVRMZZULO-UHFFFAOYSA-N 1 1 315.373 2.214 20 10 DECDMO C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000863544375 686519147 /nfs/dbraw/zinc/51/91/47/686519147.db2.gz RYPGSRCAZLLVOU-JTQLQIEISA-N 1 1 317.227 2.041 20 10 DECDMO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)CN1CCCC1 ZINC000863558074 686522106 /nfs/dbraw/zinc/52/21/06/686522106.db2.gz VMDMBCBRVXUKDF-LPHOPBHVSA-N 1 1 319.493 2.038 20 10 DECDMO CC[C@@H]1[C@@H](C(=O)NCc2ccc(N(C)C)cc2C)CC[N@H+]1C ZINC000865903394 687373703 /nfs/dbraw/zinc/37/37/03/687373703.db2.gz BDZMHUXRQOVUAK-DLBZAZTESA-N 1 1 303.450 2.408 20 10 DECDMO C[C@@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1O ZINC000868209980 687947986 /nfs/dbraw/zinc/94/79/86/687947986.db2.gz IUNVFMBDNIXPAU-YUELXQCFSA-N 1 1 303.406 2.379 20 10 DECDMO C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)C1=CC[N@@H+](C)CC1 ZINC000868489188 688032925 /nfs/dbraw/zinc/03/29/25/688032925.db2.gz RSAIOBJFVSYBLI-OLZOCXBDSA-N 1 1 303.406 2.403 20 10 DECDMO C[C@H](NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1O ZINC000875094108 689570963 /nfs/dbraw/zinc/57/09/63/689570963.db2.gz YBINRKISBVKZTL-IHRRRGAJSA-N 1 1 303.406 2.379 20 10 DECDMO Cc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000876597995 689871037 /nfs/dbraw/zinc/87/10/37/689871037.db2.gz SKJZNAMRBBODSL-UHFFFAOYSA-N 1 1 311.385 2.054 20 10 DECDMO Cc1ccc(C[N@@H+](CCO)CCOCC(F)(F)F)c(O)c1 ZINC000876722381 689915411 /nfs/dbraw/zinc/91/54/11/689915411.db2.gz TUVRQDHENRDPBL-UHFFFAOYSA-N 1 1 307.312 2.074 20 10 DECDMO OC1CCN(c2ccc(C[N@H+]3CCOCC34CCC4)cc2)CC1 ZINC000876749559 689925907 /nfs/dbraw/zinc/92/59/07/689925907.db2.gz MEZLHZNUZWYHCG-UHFFFAOYSA-N 1 1 316.445 2.403 20 10 DECDMO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000876753877 689927375 /nfs/dbraw/zinc/92/73/75/689927375.db2.gz BQYUQBLHINHYDV-HNNXBMFYSA-N 1 1 307.390 2.243 20 10 DECDMO Cc1cccc(O)c1C[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000876753877 689927379 /nfs/dbraw/zinc/92/73/79/689927379.db2.gz BQYUQBLHINHYDV-HNNXBMFYSA-N 1 1 307.390 2.243 20 10 DECDMO Cc1cccc(O)c1C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000876778517 689934921 /nfs/dbraw/zinc/93/49/21/689934921.db2.gz HFQFZGNXDATDAS-UHFFFAOYSA-N 1 1 306.450 2.491 20 10 DECDMO Cc1cccc(O)c1C[NH2+]C[C@H](C(C)C)N1CCN(C)CC1 ZINC000876924124 689974100 /nfs/dbraw/zinc/97/41/00/689974100.db2.gz LGLROQLCHAROGM-QGZVFWFLSA-N 1 1 305.466 2.062 20 10 DECDMO CN(C)c1ccc(CNC2CC[NH+](CC(C)(C)O)CC2)cc1F ZINC000876989078 689992074 /nfs/dbraw/zinc/99/20/74/689992074.db2.gz ODMBMYOUUCWEHY-UHFFFAOYSA-N 1 1 323.456 2.217 20 10 DECDMO CN(C)c1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1F ZINC000876989078 689992078 /nfs/dbraw/zinc/99/20/78/689992078.db2.gz ODMBMYOUUCWEHY-UHFFFAOYSA-N 1 1 323.456 2.217 20 10 DECDMO Cc1cc(C[N@H+]2CCc3c(=O)[nH]n(C)c3C2)ccc1N(C)C ZINC000931193841 694337142 /nfs/dbraw/zinc/33/71/42/694337142.db2.gz OUPRELDGCIDBBO-UHFFFAOYSA-N 1 1 300.406 2.058 20 10 DECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CN2CCC1CC2 ZINC000877706413 690197917 /nfs/dbraw/zinc/19/79/17/690197917.db2.gz LEGGTZZBGPMVMD-IBGZPJMESA-N 1 1 315.461 2.049 20 10 DECDMO CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000877706413 690197920 /nfs/dbraw/zinc/19/79/20/690197920.db2.gz LEGGTZZBGPMVMD-IBGZPJMESA-N 1 1 315.461 2.049 20 10 DECDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000877749244 690214533 /nfs/dbraw/zinc/21/45/33/690214533.db2.gz VHWAWSCPYNYWCC-MSOLQXFVSA-N 1 1 306.450 2.241 20 10 DECDMO CC1(C)C[C@@H](O)C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877751838 690215831 /nfs/dbraw/zinc/21/58/31/690215831.db2.gz LJDQVQPFAISDCS-GOSISDBHSA-N 1 1 318.461 2.241 20 10 DECDMO COc1ccc(N2CC[NH+](CCC(=O)C(C)C)CC2)c(OC)c1 ZINC000879463087 690647183 /nfs/dbraw/zinc/64/71/83/690647183.db2.gz QBYNHQPIAYMFRK-UHFFFAOYSA-N 1 1 320.433 2.441 20 10 DECDMO CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1O ZINC000880129750 690809029 /nfs/dbraw/zinc/80/90/29/690809029.db2.gz AIEZMPPJDNQSQT-HOTGVXAUSA-N 1 1 306.381 2.402 20 10 DECDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000883194010 691454035 /nfs/dbraw/zinc/45/40/35/691454035.db2.gz LTMSJDKWVFHYKT-SNVBAGLBSA-N 1 1 322.237 2.155 20 10 DECDMO Cc1cnccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883283723 691471739 /nfs/dbraw/zinc/47/17/39/691471739.db2.gz QHOBGVCXEPDBKR-UHFFFAOYSA-N 1 1 310.445 2.432 20 10 DECDMO COCCC[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883289602 691473653 /nfs/dbraw/zinc/47/36/53/691473653.db2.gz UMTQVMVYGDPANF-INIZCTEOSA-N 1 1 305.466 2.343 20 10 DECDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000883895340 691611798 /nfs/dbraw/zinc/61/17/98/691611798.db2.gz VYULEYJXDKZZAY-CQSZACIVSA-N 1 1 317.433 2.164 20 10 DECDMO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cc(F)cc(F)c3O)O2)CO1 ZINC000886328682 692057731 /nfs/dbraw/zinc/05/77/31/692057731.db2.gz ORZJMWNLLBVIDF-AKWBHNSASA-N 1 1 313.344 2.487 20 10 DECDMO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1c(O)cccc1F ZINC000886511239 692097874 /nfs/dbraw/zinc/09/78/74/692097874.db2.gz NHZOQHXYCCHNRS-SMDDNHRTSA-N 1 1 319.380 2.448 20 10 DECDMO C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1c([O-])cccc1F ZINC000886524208 692101060 /nfs/dbraw/zinc/10/10/60/692101060.db2.gz FYGSJFVCLVPOQH-CQSZACIVSA-N 1 1 309.429 2.210 20 10 DECDMO COc1ccc(N2CC[C@H](CN[C@H]3CC[NH2+]C34CCC4)C2)cc1 ZINC000925709386 693328065 /nfs/dbraw/zinc/32/80/65/693328065.db2.gz VFEWUGOLKMJKLH-QAPCUYQASA-N 1 1 315.461 2.396 20 10 DECDMO CCC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)nc(OC)c2)CC1 ZINC001052527101 693559321 /nfs/dbraw/zinc/55/93/21/693559321.db2.gz RMLTXAABBOARNJ-AWEZNQCLSA-N 1 1 321.421 2.093 20 10 DECDMO COc1ccc(OC)c2c1C[N@H+](Cc1ccc(N)cc1)C[C@H]2O ZINC001334774511 1150341604 /nfs/dbraw/zinc/34/16/04/1150341604.db2.gz KVORQMPCYGHFRJ-OAHLLOKOSA-N 1 1 314.385 2.335 20 10 DECDMO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc(N)cc1)C[C@H]2O ZINC001334774511 1150341607 /nfs/dbraw/zinc/34/16/07/1150341607.db2.gz KVORQMPCYGHFRJ-OAHLLOKOSA-N 1 1 314.385 2.335 20 10 DECDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001335329733 1150397292 /nfs/dbraw/zinc/39/72/92/1150397292.db2.gz NSRLFMUYBUUGIL-GOSISDBHSA-N 1 1 318.417 2.051 20 10 DECDMO CCN(C)c1ccc(C[N@H+]2CCCN(C(=O)OC)CC2)cc1 ZINC001343899329 1150782486 /nfs/dbraw/zinc/78/24/86/1150782486.db2.gz YLZKVLNGWRPUEK-UHFFFAOYSA-N 1 1 305.422 2.417 20 10 DECDMO CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CC[N@@H+](C)C1 ZINC001350478810 1151361977 /nfs/dbraw/zinc/36/19/77/1151361977.db2.gz CFUAJCZXIOEGRR-CQSZACIVSA-N 1 1 322.428 2.127 20 10 DECDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136605143 790396198 /nfs/dbraw/zinc/39/61/98/790396198.db2.gz GQECGMPKHABSBZ-LLVKDONJSA-N 1 1 305.382 2.309 20 10 DECDMO C[NH+]1CCN(c2ccc(CNc3ccnc4[nH]cnc43)cc2)CC1 ZINC001167434121 777033495 /nfs/dbraw/zinc/03/34/95/777033495.db2.gz CNVUZAJXNIRLHB-UHFFFAOYSA-N 1 1 322.416 2.322 20 10 DECDMO CC(=O)N1CC[C@H]([N@H+](Cc2ccc(O)c(C)c2O)C(C)C)C1 ZINC001140747591 777740687 /nfs/dbraw/zinc/74/06/87/777740687.db2.gz GELANTWWKHULCE-HNNXBMFYSA-N 1 1 306.406 2.237 20 10 DECDMO Oc1cc(O)c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(O)c1 ZINC001144500099 790934080 /nfs/dbraw/zinc/93/40/80/790934080.db2.gz OWYUWFQUXKQORB-CYBMUJFWSA-N 1 1 321.295 2.083 20 10 DECDMO Oc1cc(O)c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(O)c1 ZINC001144509022 790940179 /nfs/dbraw/zinc/94/01/79/790940179.db2.gz HWKBVRIGCAUJGR-CQSZACIVSA-N 1 1 301.342 2.457 20 10 DECDMO C[C@@]1(O)CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495485 783493112 /nfs/dbraw/zinc/49/31/12/783493112.db2.gz JUBBVZKPOCDICU-GOSISDBHSA-N 1 1 304.434 2.260 20 10 DECDMO Cc1cc(N(C)C)[nH+]cc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170314943 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C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(F)cc1O ZINC000186185268 633891224 /nfs/dbraw/zinc/89/12/24/633891224.db2.gz AVMPXWKHZTWYSH-JTQLQIEISA-N 1 1 301.383 2.007 20 10 DECDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000836949469 650148026 /nfs/dbraw/zinc/14/80/26/650148026.db2.gz ZEBNWMHRPRJBOG-IZPAUZPXSA-N 1 1 304.390 2.054 20 10 DECDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(Cl)c1 ZINC000840941463 634970028 /nfs/dbraw/zinc/97/00/28/634970028.db2.gz AXSAVITXRYPEPJ-FIXISWKDSA-N 1 1 308.809 2.440 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1O ZINC000894093331 636110534 /nfs/dbraw/zinc/11/05/34/636110534.db2.gz DFHWKQRKFWUVAG-UKRRQHHQSA-N 1 1 318.417 2.200 20 10 DECDMO O=C(NCc1c(O)cccc1F)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000923128976 636983887 /nfs/dbraw/zinc/98/38/87/636983887.db2.gz OTFQUWPWUAFSQW-HUUCEWRRSA-N 1 1 321.396 2.347 20 10 DECDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000923260969 637061677 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COc1ccc2ccc(O)c(C[N@@H+](C)[C@H]3CCN(C)C3=O)c2c1 ZINC000738265670 637409661 /nfs/dbraw/zinc/40/96/61/637409661.db2.gz JFWAZOQCWAYNFH-INIZCTEOSA-N 1 1 314.385 2.217 20 10 DECDMO COc1c(O)c(C[N@H+]2CCCCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000895152285 637676062 /nfs/dbraw/zinc/67/60/62/637676062.db2.gz ZPYWSZMVTCPWBS-LBPRGKRZSA-N 1 1 310.350 2.046 20 10 DECDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000320137230 637727106 /nfs/dbraw/zinc/72/71/06/637727106.db2.gz DVKZYQIHFTXJSB-INIZCTEOSA-N 1 1 324.808 2.206 20 10 DECDMO C[N@@H+](CCC1(O)CCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000839458767 637883979 /nfs/dbraw/zinc/88/39/79/637883979.db2.gz AZGPAZIEHSGFDT-UHFFFAOYSA-N 1 1 304.434 2.260 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000840941423 650391502 /nfs/dbraw/zinc/39/15/02/650391502.db2.gz WRWFGEUHMROWOM-MAUKXSAKSA-N 1 1 304.434 2.441 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000840949922 650393245 /nfs/dbraw/zinc/39/32/45/650393245.db2.gz CKTHRHYNXTVMEZ-QRQLOZEOSA-N 1 1 318.461 2.423 20 10 DECDMO Oc1cc(Br)ccc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895780549 638198933 /nfs/dbraw/zinc/19/89/33/638198933.db2.gz MWEVMRZPEGJGIN-JIMOISOXSA-N 1 1 312.207 2.357 20 10 DECDMO CC(C)n1nccc1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841043284 650412618 /nfs/dbraw/zinc/41/26/18/650412618.db2.gz QNIITODKKHELQW-QGZVFWFLSA-N 1 1 301.438 2.320 20 10 DECDMO Cc1nc2ccccn2c1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044598 650412745 /nfs/dbraw/zinc/41/27/45/650412745.db2.gz WQHKVJAYYIPYTE-QGZVFWFLSA-N 1 1 323.444 2.498 20 10 DECDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1 ZINC000896394786 638500715 /nfs/dbraw/zinc/50/07/15/638500715.db2.gz FVWFBDWVQCEJJA-PBHICJAKSA-N 1 1 304.390 2.411 20 10 DECDMO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3ccc(OCC)cc3O)C[C@@H]21 ZINC000896448933 638518756 /nfs/dbraw/zinc/51/87/56/638518756.db2.gz SXXGNKCNARPVBB-HLLBOEOZSA-N 1 1 319.401 2.422 20 10 DECDMO COc1cc(O)c(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000841088538 650427837 /nfs/dbraw/zinc/42/78/37/650427837.db2.gz ZAJBADYMVLTNGW-ZFWWWQNUSA-N 1 1 320.433 2.373 20 10 DECDMO COc1cc(O)c(CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000841088828 650428010 /nfs/dbraw/zinc/42/80/10/650428010.db2.gz CGPNYSAHKRFLJH-ZDUSSCGKSA-N 1 1 306.406 2.174 20 10 DECDMO CC(C)(C)[C@H](CN)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841087036 650428072 /nfs/dbraw/zinc/42/80/72/650428072.db2.gz IGQZRCPRLLFUDC-INIZCTEOSA-N 1 1 309.429 2.125 20 10 DECDMO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1O)c1ccco1 ZINC000748463577 638559478 /nfs/dbraw/zinc/55/94/78/638559478.db2.gz XEIRPVPWXHWGID-CYBMUJFWSA-N 1 1 303.362 2.087 20 10 DECDMO COc1cccc(O)c1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000753594396 639318784 /nfs/dbraw/zinc/31/87/84/639318784.db2.gz BPFOWKPLZVQJTL-UHFFFAOYSA-N 1 1 307.390 2.030 20 10 DECDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000756414951 639660421 /nfs/dbraw/zinc/66/04/21/639660421.db2.gz ALOKRDMUQVIYHR-QEJZJMRPSA-N 1 1 318.417 2.456 20 10 DECDMO Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)c(O)c1C ZINC000756554180 639673887 /nfs/dbraw/zinc/67/38/87/639673887.db2.gz NZCCUFGDFGVLBT-ZBFHGGJFSA-N 1 1 305.466 2.296 20 10 DECDMO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(F)cc(F)c1O ZINC000756565208 639675861 /nfs/dbraw/zinc/67/58/61/639675861.db2.gz WWVBZZCGOYBXHX-MNOVXSKESA-N 1 1 301.333 2.374 20 10 DECDMO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc(N)cc1)c1ccco1 ZINC000841626484 650526062 /nfs/dbraw/zinc/52/60/62/650526062.db2.gz RFNXZHIQEKMCHP-HNNXBMFYSA-N 1 1 316.405 2.006 20 10 DECDMO COc1ccc(O)c([C@@H](C)NC(=O)NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000897432735 640224326 /nfs/dbraw/zinc/22/43/26/640224326.db2.gz MLGSALCNYVPALS-QWHCGFSZSA-N 1 1 321.421 2.103 20 10 DECDMO C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000762785679 640458983 /nfs/dbraw/zinc/45/89/83/640458983.db2.gz GMDHNHWOSPPIFV-LKFCYVNXSA-N 1 1 319.232 2.416 20 10 DECDMO C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000762785679 640458987 /nfs/dbraw/zinc/45/89/87/640458987.db2.gz GMDHNHWOSPPIFV-LKFCYVNXSA-N 1 1 319.232 2.416 20 10 DECDMO C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1cc(Cl)ccc1O ZINC000897514382 640525229 /nfs/dbraw/zinc/52/52/29/640525229.db2.gz PHEPAKFKMBSAFS-LLVKDONJSA-N 1 1 311.813 2.329 20 10 DECDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C/C=C\c1ccc(N(C)C)cc1 ZINC000841892202 650595787 /nfs/dbraw/zinc/59/57/87/650595787.db2.gz VBQIXCQXDUAGKJ-DJAVDHGHSA-N 1 1 317.477 2.153 20 10 DECDMO C[C@@H]1CN(CCO)[C@@H](C)C[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000841892202 650595788 /nfs/dbraw/zinc/59/57/88/650595788.db2.gz VBQIXCQXDUAGKJ-DJAVDHGHSA-N 1 1 317.477 2.153 20 10 DECDMO C[C@@H]1CN(CCO)[C@@H](C)C[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000841892202 650595789 /nfs/dbraw/zinc/59/57/89/650595789.db2.gz VBQIXCQXDUAGKJ-DJAVDHGHSA-N 1 1 317.477 2.153 20 10 DECDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C1(C)C ZINC000768444533 641082902 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CCOc1ccc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(O)c1 ZINC000769424964 641237698 /nfs/dbraw/zinc/23/76/98/641237698.db2.gz NEEXGFDZECJQIW-RYUDHWBXSA-N 1 1 315.435 2.044 20 10 DECDMO CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c(O)c1 ZINC000770380769 641362635 /nfs/dbraw/zinc/36/26/35/641362635.db2.gz QQJVTLPMADZVJK-ZBFHGGJFSA-N 1 1 318.417 2.282 20 10 DECDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000773752124 641820076 /nfs/dbraw/zinc/82/00/76/641820076.db2.gz HYSHIFBLVMDIAO-LJQANCHMSA-N 1 1 317.477 2.439 20 10 DECDMO CCN(C)c1ccc(C[N@H+](C)CC(C)(C)S(C)(=O)=O)cc1 ZINC000773826864 641827618 /nfs/dbraw/zinc/82/76/18/641827618.db2.gz ZYTNJJFYPZJUHB-UHFFFAOYSA-N 1 1 312.479 2.398 20 10 DECDMO CCN(C)c1ccc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)cc1 ZINC000773826864 641827623 /nfs/dbraw/zinc/82/76/23/641827623.db2.gz ZYTNJJFYPZJUHB-UHFFFAOYSA-N 1 1 312.479 2.398 20 10 DECDMO C[C@H]([NH2+]CCc1nnnn1C)c1cc(Cl)c(Cl)cc1O ZINC000774229375 641880546 /nfs/dbraw/zinc/88/05/46/641880546.db2.gz FXUXTPHLXPRQMG-ZETCQYMHSA-N 1 1 316.192 2.116 20 10 DECDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2O)C[C@H]1C ZINC000774904717 641979161 /nfs/dbraw/zinc/97/91/61/641979161.db2.gz JXDCNNSVCFCSSC-VXGBXAGGSA-N 1 1 323.393 2.224 20 10 DECDMO COc1c(O)c(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000775109612 642008224 /nfs/dbraw/zinc/00/82/24/642008224.db2.gz ZIWPLSCUFJODFX-WDMOLILDSA-N 1 1 324.377 2.290 20 10 DECDMO COc1ccc(O)c(C[N@H+](C)CC(=O)Nc2cc(C)ccn2)c1 ZINC000775668992 642075872 /nfs/dbraw/zinc/07/58/72/642075872.db2.gz BUTIRDBYWGWZLL-UHFFFAOYSA-N 1 1 315.373 2.175 20 10 DECDMO COc1ccc(O)c(C[N@@H+](C)CC(=O)Nc2cc(C)ccn2)c1 ZINC000775668992 642075876 /nfs/dbraw/zinc/07/58/76/642075876.db2.gz BUTIRDBYWGWZLL-UHFFFAOYSA-N 1 1 315.373 2.175 20 10 DECDMO CN1CCN(c2ccc(C[N@H+](C)C[C@H]3CCC[C@H]3O)cc2)CC1 ZINC000775735929 642087888 /nfs/dbraw/zinc/08/78/88/642087888.db2.gz GKFHMGSCSJTXKZ-IEBWSBKVSA-N 1 1 317.477 2.031 20 10 DECDMO 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COCCO[C@H]1CCC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000193414345 685040116 /nfs/dbraw/zinc/04/01/16/685040116.db2.gz OZALOAJYCVPOLT-HNNXBMFYSA-N 1 1 309.406 2.337 20 10 DECDMO CN(C)c1cc(F)c(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)cc1F ZINC000862408496 686294416 /nfs/dbraw/zinc/29/44/16/686294416.db2.gz IFUJZTFIUYDVNK-UHFFFAOYSA-N 1 1 321.371 2.401 20 10 DECDMO CN(C)c1cc(F)c(C[N@H+]2CCC3=C(CCC(=O)N3)C2)cc1F ZINC000862408496 686294423 /nfs/dbraw/zinc/29/44/23/686294423.db2.gz IFUJZTFIUYDVNK-UHFFFAOYSA-N 1 1 321.371 2.401 20 10 DECDMO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(Cl)c(Cl)cc1O ZINC000866497842 687591877 /nfs/dbraw/zinc/59/18/77/687591877.db2.gz MSYJRYRDUOIVBH-NZXMKCKXSA-N 1 1 306.189 2.499 20 10 DECDMO C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(Cl)cc1O ZINC000866571238 687612709 /nfs/dbraw/zinc/61/27/09/687612709.db2.gz BGLOVRSIOYWNIK-VIFPVBQESA-N 1 1 320.842 2.011 20 10 DECDMO CN(C)c1ccc(C[N@@H+](C[C@H](O)CC(C)(C)O)C2CC2)cc1 ZINC000871974498 688905108 /nfs/dbraw/zinc/90/51/08/688905108.db2.gz HDRRZFIQWDDYIZ-QGZVFWFLSA-N 1 1 306.450 2.239 20 10 DECDMO COc1cc(C)cc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1O ZINC000872687412 689065462 /nfs/dbraw/zinc/06/54/62/689065462.db2.gz FKFCDBZVWRVPEG-NWDGAFQWSA-N 1 1 319.323 2.312 20 10 DECDMO CCOC(=O)[C@]1(C)C[N@H+](Cc2cc(C)cc(C)c2O)CCO1 ZINC000872705227 689069492 /nfs/dbraw/zinc/06/94/92/689069492.db2.gz UAUKGBMKJRTNPT-KRWDZBQOSA-N 1 1 307.390 2.163 20 10 DECDMO CCOC(=O)[C@]1(C)C[N@@H+](Cc2cc(C)cc(C)c2O)CCO1 ZINC000872705227 689069496 /nfs/dbraw/zinc/06/94/96/689069496.db2.gz UAUKGBMKJRTNPT-KRWDZBQOSA-N 1 1 307.390 2.163 20 10 DECDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2C[C@H](O)C2)c1 ZINC000873178465 689177328 /nfs/dbraw/zinc/17/73/28/689177328.db2.gz SSEUOPLTLHWYSZ-HOMQSWHASA-N 1 1 300.196 2.324 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCOc3cc(N)ccc3C2)c1 ZINC000873220897 689186641 /nfs/dbraw/zinc/18/66/41/689186641.db2.gz ZUSSABSWJCGVGS-UHFFFAOYSA-N 1 1 300.358 2.378 20 10 DECDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1Cc2cccc(O)c2C1 ZINC000875535394 689644784 /nfs/dbraw/zinc/64/47/84/689644784.db2.gz NUOLNLQOPRRJCY-OAHLLOKOSA-N 1 1 315.417 2.434 20 10 DECDMO Cc1cccc(O)c1C[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000876526683 689847433 /nfs/dbraw/zinc/84/74/33/689847433.db2.gz BDMVIWQMCPEVQI-UHFFFAOYSA-N 1 1 300.358 2.252 20 10 DECDMO COC(=O)CC[N@H+](Cc1c(C)cccc1O)C[C@H]1CCCO1 ZINC000876745104 689924497 /nfs/dbraw/zinc/92/44/97/689924497.db2.gz ZZRCZPHFOGVWCE-CQSZACIVSA-N 1 1 307.390 2.245 20 10 DECDMO Cc1ccc(C[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)c(O)c1 ZINC000876789691 689937100 /nfs/dbraw/zinc/93/71/00/689937100.db2.gz GEYMJUMPOFTPGN-UHFFFAOYSA-N 1 1 324.380 2.429 20 10 DECDMO CC[NH+](CC)C[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877019325 689999155 /nfs/dbraw/zinc/99/91/55/689999155.db2.gz JUXHGCYEPDTUQD-INIZCTEOSA-N 1 1 319.493 2.468 20 10 DECDMO Cc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(O)c1 ZINC000877055008 690009058 /nfs/dbraw/zinc/00/90/58/690009058.db2.gz MLBHGIKYDGPDNU-OAHLLOKOSA-N 1 1 304.434 2.291 20 10 DECDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877608396 690166459 /nfs/dbraw/zinc/16/64/59/690166459.db2.gz UKPSTLZLZSQXJJ-AWEZNQCLSA-N 1 1 316.323 2.201 20 10 DECDMO Cc1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c(O)c1 ZINC000877619877 690169593 /nfs/dbraw/zinc/16/95/93/690169593.db2.gz BADLINYDZBZNLW-QGZVFWFLSA-N 1 1 304.434 2.387 20 10 DECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CN2CCC1CC2 ZINC000877706415 690197861 /nfs/dbraw/zinc/19/78/61/690197861.db2.gz LEGGTZZBGPMVMD-LJQANCHMSA-N 1 1 315.461 2.049 20 10 DECDMO CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000877706415 690197862 /nfs/dbraw/zinc/19/78/62/690197862.db2.gz LEGGTZZBGPMVMD-LJQANCHMSA-N 1 1 315.461 2.049 20 10 DECDMO Cc1cc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)ccc1N1CCCCC1 ZINC000878981810 690542165 /nfs/dbraw/zinc/54/21/65/690542165.db2.gz QBZKWFGGYBFJRG-HKUYNNGSSA-N 1 1 318.461 2.303 20 10 DECDMO CCC(=O)CC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463067 690647173 /nfs/dbraw/zinc/64/71/73/690647173.db2.gz PFHIFOVHOSDLPQ-UHFFFAOYSA-N 1 1 306.406 2.195 20 10 DECDMO CN(C)c1ccc(C[N@@H+](CC2CC2)[C@H](C(N)=O)C2CC2)cc1 ZINC000879486289 690652229 /nfs/dbraw/zinc/65/22/29/690652229.db2.gz KWDCHMMQDJPSJD-KRWDZBQOSA-N 1 1 301.434 2.229 20 10 DECDMO CN(C)c1ccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000880584284 690933515 /nfs/dbraw/zinc/93/35/15/690933515.db2.gz HSQGPYLRVVOAKK-KRWDZBQOSA-N 1 1 304.434 2.116 20 10 DECDMO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CO1 ZINC000883283946 691471575 /nfs/dbraw/zinc/47/15/75/691471575.db2.gz ZQJIQTLECBRSMJ-FUHWJXTLSA-N 1 1 303.450 2.096 20 10 DECDMO Cc1noc(C)c1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883284603 691472544 /nfs/dbraw/zinc/47/25/44/691472544.db2.gz RFKJQJUVVZIPGF-UHFFFAOYSA-N 1 1 314.433 2.333 20 10 DECDMO COC(=O)c1cc(C[NH2+]Cc2cc(F)cc(F)c2O)n(C)c1C ZINC000883343137 691484621 /nfs/dbraw/zinc/48/46/21/691484621.db2.gz APHMKNXORUYXLU-UHFFFAOYSA-N 1 1 324.327 2.394 20 10 DECDMO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000925784460 693341420 /nfs/dbraw/zinc/34/14/20/693341420.db2.gz RUSCCOCIJPCFRI-GHMZBOCLSA-N 1 1 300.349 2.296 20 10 DECDMO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(N)cc1)c1ccccc1 ZINC001334774515 1150341590 /nfs/dbraw/zinc/34/15/90/1150341590.db2.gz KYIHOFKCABGAON-MRXNPFEDSA-N 1 1 304.415 2.144 20 10 DECDMO COc1ccc(O)c([C@@H](C)NC(=O)c2nc(C[NH3+])sc2C)c1 ZINC001343544329 1150751732 /nfs/dbraw/zinc/75/17/32/1150751732.db2.gz VKXZXDSXJRYYAI-MRVPVSSYSA-N 1 1 321.402 2.115 20 10 DECDMO C[C@@H](NC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)c1ccccc1O ZINC001347233665 1151050084 /nfs/dbraw/zinc/05/00/84/1151050084.db2.gz OPGJECSRYNGTLL-QHSBEEBCSA-N 1 1 303.406 2.093 20 10 DECDMO CN(Cc1ccccc1O)C(=O)[C@@H]1[NH2+]CCOc2ccccc21 ZINC001357193340 1152266936 /nfs/dbraw/zinc/26/69/36/1152266936.db2.gz DACGSLNHBNHEIJ-QGZVFWFLSA-N 1 1 312.369 2.074 20 10 DECDMO CC(C)[N@@H+](C)CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000176465353 782450399 /nfs/dbraw/zinc/45/03/99/782450399.db2.gz UHTPUTUDSBSUTI-UHFFFAOYSA-N 1 1 319.449 2.410 20 10 DECDMO O=C1NCCC2(CC[NH+](Cc3cc(F)c(F)cc3O)CC2)O1 ZINC001142527497 780794737 /nfs/dbraw/zinc/79/47/37/780794737.db2.gz WZZIYCHTNNHWBA-UHFFFAOYSA-N 1 1 312.316 2.135 20 10 DECDMO CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3O)CC[C@H]21 ZINC001142534497 780797999 /nfs/dbraw/zinc/79/79/99/780797999.db2.gz LUPQRVRAOKCAKH-IINYFYTJSA-N 1 1 310.344 2.113 20 10 DECDMO CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(F)c(F)cc3O)CC[C@H]21 ZINC001142534497 780798002 /nfs/dbraw/zinc/79/80/02/780798002.db2.gz LUPQRVRAOKCAKH-IINYFYTJSA-N 1 1 310.344 2.113 20 10 DECDMO CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3O)CC[C@H]21 ZINC001142534498 780798346 /nfs/dbraw/zinc/79/83/46/780798346.db2.gz LUPQRVRAOKCAKH-QMTHXVAHSA-N 1 1 310.344 2.113 20 10 DECDMO CN1C(=O)CC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3O)CC[C@H]21 ZINC001142534498 780798351 /nfs/dbraw/zinc/79/83/51/780798351.db2.gz LUPQRVRAOKCAKH-QMTHXVAHSA-N 1 1 310.344 2.113 20 10 DECDMO CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968685589 784540564 /nfs/dbraw/zinc/54/05/64/784540564.db2.gz VYFMXLVWYDICKV-FZMZJTMJSA-N 1 1 317.393 2.309 20 10 DECDMO CCOC(=O)[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)CO1 ZINC001169418489 785178932 /nfs/dbraw/zinc/17/89/32/785178932.db2.gz NSZNYQJBUBDSGC-DLBZAZTESA-N 1 1 320.433 2.295 20 10 DECDMO C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)[N@H+]1CCCC[C@H]1C ZINC001136243533 789671616 /nfs/dbraw/zinc/67/16/16/789671616.db2.gz GDHXZHGRCSXEPR-CHWSQXEVSA-N 1 1 306.406 2.019 20 10 DECDMO O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)c1cccc(O)c1O ZINC001148224663 791713774 /nfs/dbraw/zinc/71/37/74/791713774.db2.gz RQNZJYKCYISSJN-AWEZNQCLSA-N 1 1 318.417 2.482 20 10 DECDMO Oc1c(F)cc(Br)cc1C[NH2+]CC1OCCCO1 ZINC000715746356 792510163 /nfs/dbraw/zinc/51/01/63/792510163.db2.gz UGORYOMVPVCULK-UHFFFAOYSA-N 1 1 320.158 2.146 20 10 DECDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000691675183 794456467 /nfs/dbraw/zinc/45/64/67/794456467.db2.gz IINZOMCZSJAUTB-HUTHGQBESA-N 1 1 320.252 2.354 20 10 DECDMO COCCO[C@@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001181164799 795439334 /nfs/dbraw/zinc/43/93/34/795439334.db2.gz ZMBCYVOHQLVMCZ-CQSZACIVSA-N 1 1 309.406 2.337 20 10 DECDMO C[N@H+]1C[C@@]23CN(C(=O)C4=CC(=O)CS4)C[C@]2(C1)CCCC3 ZINC001120836467 795540402 /nfs/dbraw/zinc/54/04/02/795540402.db2.gz NSKCXHUBERLOFC-IYBDPMFKSA-N 1 1 306.431 2.402 20 10 DECDMO NC(=O)c1csc(C[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC001182941895 795781899 /nfs/dbraw/zinc/78/18/99/795781899.db2.gz OOSFEXCDXLQMMG-UHFFFAOYSA-N 1 1 313.382 2.391 20 10 DECDMO Cc1cncnc1O[C@@H]1CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137841880 796145369 /nfs/dbraw/zinc/14/53/69/796145369.db2.gz YQTRHYGOFZKBEC-GFCCVEGCSA-N 1 1 303.337 2.283 20 10 DECDMO Cc1cncnc1O[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137841880 796145370 /nfs/dbraw/zinc/14/53/70/796145370.db2.gz YQTRHYGOFZKBEC-GFCCVEGCSA-N 1 1 303.337 2.283 20 10 DECDMO Cc1c(C[N@@H+](C)C2CCS(=O)(=O)CC2)c2ccccc2n1C ZINC001138258293 796188180 /nfs/dbraw/zinc/18/81/80/796188180.db2.gz OUXQSBOZYBVPKY-UHFFFAOYSA-N 1 1 320.458 2.496 20 10 DECDMO CO[C@@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138337532 796198454 /nfs/dbraw/zinc/19/84/54/796198454.db2.gz SVKVHZBVPOUFQA-OAHLLOKOSA-N 1 1 302.418 2.312 20 10 DECDMO OC[C@H]1CCCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138336187 796198896 /nfs/dbraw/zinc/19/88/96/796198896.db2.gz LSXBZQZWBMJGHP-MRXNPFEDSA-N 1 1 316.445 2.438 20 10 DECDMO CN1CCCc2cc(C[N@@H+]3CC[C@](O)(CF)[C@@H](F)C3)ccc21 ZINC001138354986 796204115 /nfs/dbraw/zinc/20/41/15/796204115.db2.gz XSFFEWCBYUTILV-IRXDYDNUSA-N 1 1 310.388 2.313 20 10 DECDMO CN1CCCc2cc(C[N@H+]3CC[C@](O)(CF)[C@@H](F)C3)ccc21 ZINC001138354986 796204119 /nfs/dbraw/zinc/20/41/19/796204119.db2.gz XSFFEWCBYUTILV-IRXDYDNUSA-N 1 1 310.388 2.313 20 10 DECDMO CC[N@@H+](CCn1ccnc1)Cc1ccc(N2CCOCC2)cc1 ZINC001138499823 796228633 /nfs/dbraw/zinc/22/86/33/796228633.db2.gz KKLFZBBMOCWERT-UHFFFAOYSA-N 1 1 314.433 2.242 20 10 DECDMO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC001138500282 796228766 /nfs/dbraw/zinc/22/87/66/796228766.db2.gz WBKJXZDQOBQYPH-MJGOQNOKSA-N 1 1 315.461 2.049 20 10 DECDMO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC001138500282 796228769 /nfs/dbraw/zinc/22/87/69/796228769.db2.gz WBKJXZDQOBQYPH-MJGOQNOKSA-N 1 1 315.461 2.049 20 10 DECDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC001138500282 796228771 /nfs/dbraw/zinc/22/87/71/796228771.db2.gz WBKJXZDQOBQYPH-MJGOQNOKSA-N 1 1 315.461 2.049 20 10 DECDMO COC(=O)CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC001138499898 796228934 /nfs/dbraw/zinc/22/89/34/796228934.db2.gz OGAHHTHNQBUODF-UHFFFAOYSA-N 1 1 318.417 2.051 20 10 DECDMO Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001139133610 796330560 /nfs/dbraw/zinc/33/05/60/796330560.db2.gz JBGBAWMUWDEWDM-OAHLLOKOSA-N 1 1 315.369 2.418 20 10 DECDMO Cc1cc(=O)oc2c1ccc([O-])c2CN1CCOC[C@@H]1C1CC1 ZINC001139133610 796330564 /nfs/dbraw/zinc/33/05/64/796330564.db2.gz JBGBAWMUWDEWDM-OAHLLOKOSA-N 1 1 315.369 2.418 20 10 DECDMO COc1cc(CN2CCC[C@@]3(CCO3)C2)cc(C[NH+](C)C)c1O ZINC001139258154 796349873 /nfs/dbraw/zinc/34/98/73/796349873.db2.gz MDCHVNNEHCQXIR-GOSISDBHSA-N 1 1 320.433 2.217 20 10 DECDMO COc1cc(CN2CC[C@@](C)(O)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139254126 796350578 /nfs/dbraw/zinc/35/05/78/796350578.db2.gz FBEXSQVPRWRNII-SCLBCKFNSA-N 1 1 322.449 2.055 20 10 DECDMO COC(=O)c1cc(C[N@H+]2CCc3cccc(O)c3C2)cn1C ZINC001139373448 796364453 /nfs/dbraw/zinc/36/44/53/796364453.db2.gz ARJWBXZLIMHLDB-UHFFFAOYSA-N 1 1 300.358 2.076 20 10 DECDMO C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]34CCOC4)cc2)CC1 ZINC001139412784 796372044 /nfs/dbraw/zinc/37/20/44/796372044.db2.gz NRAFDDRVSJHVHA-LJQANCHMSA-N 1 1 315.461 2.193 20 10 DECDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@]34CCOC4)cc2)CC1 ZINC001139412784 796372050 /nfs/dbraw/zinc/37/20/50/796372050.db2.gz NRAFDDRVSJHVHA-LJQANCHMSA-N 1 1 315.461 2.193 20 10 DECDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@]34CCOC4)cc2)CC1 ZINC001139412784 796372055 /nfs/dbraw/zinc/37/20/55/796372055.db2.gz NRAFDDRVSJHVHA-LJQANCHMSA-N 1 1 315.461 2.193 20 10 DECDMO CC[C@H]1COCCN1Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140305564 796504198 /nfs/dbraw/zinc/50/41/98/796504198.db2.gz CHGJSCSYCXARTN-SFHVURJKSA-N 1 1 317.477 2.439 20 10 DECDMO CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]3COC)cc2)CC1 ZINC001140309703 796504661 /nfs/dbraw/zinc/50/46/61/796504661.db2.gz RGYFLSPZWLNWKQ-SFHVURJKSA-N 1 1 303.450 2.049 20 10 DECDMO Cc1cc(CNc2nc(N)nc(N)[nH+]2)c(C)n1-c1ccccc1 ZINC001187279778 796513957 /nfs/dbraw/zinc/51/39/57/796513957.db2.gz HUJOXVNSPAKPNT-UHFFFAOYSA-N 1 1 309.377 2.056 20 10 DECDMO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001140659964 796551600 /nfs/dbraw/zinc/55/16/00/796551600.db2.gz ARCCMNONWGBDNS-QRTARXTBSA-N 1 1 308.372 2.452 20 10 DECDMO Fc1cc(N2CCOCC2)ccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001140659964 796551604 /nfs/dbraw/zinc/55/16/04/796551604.db2.gz ARCCMNONWGBDNS-QRTARXTBSA-N 1 1 308.372 2.452 20 10 DECDMO OCC[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140663548 796553253 /nfs/dbraw/zinc/55/32/53/796553253.db2.gz ISUMBFPDQGKSJL-OAHLLOKOSA-N 1 1 322.424 2.257 20 10 DECDMO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2F)C[C@H](C)[N@@H+]1C ZINC001140664067 796553344 /nfs/dbraw/zinc/55/33/44/796553344.db2.gz XCTASKOAZALQDX-GASCZTMLSA-N 1 1 321.440 2.187 20 10 DECDMO OCC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140663547 796553544 /nfs/dbraw/zinc/55/35/44/796553544.db2.gz ISUMBFPDQGKSJL-HNNXBMFYSA-N 1 1 322.424 2.257 20 10 DECDMO Cc1c(O)ccc(C[N@H+]2CCC[C@@H](Oc3ncccn3)C2)c1O ZINC001140749770 796567393 /nfs/dbraw/zinc/56/73/93/796567393.db2.gz MGHKZTRILWQWOG-CQSZACIVSA-N 1 1 315.373 2.240 20 10 DECDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(Cl)c1 ZINC001140924079 796598581 /nfs/dbraw/zinc/59/85/81/796598581.db2.gz CSPARIVGQKGBAA-MRXNPFEDSA-N 1 1 323.824 2.480 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(Cl)c1 ZINC001140924079 796598594 /nfs/dbraw/zinc/59/85/94/796598594.db2.gz CSPARIVGQKGBAA-MRXNPFEDSA-N 1 1 323.824 2.480 20 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SOVIQEYIWHLBQW-HNNXBMFYSA-N 1 1 315.373 2.240 20 10 DECDMO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142526983 796747399 /nfs/dbraw/zinc/74/73/99/796747399.db2.gz FCZOFIHKADRBMM-NHCYSSNCSA-N 1 1 311.328 2.444 20 10 DECDMO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142526983 796747401 /nfs/dbraw/zinc/74/74/01/796747401.db2.gz FCZOFIHKADRBMM-NHCYSSNCSA-N 1 1 311.328 2.444 20 10 DECDMO CC[N@@H+](CCF)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001157209865 798163112 /nfs/dbraw/zinc/16/31/12/798163112.db2.gz ODBVDNUPOLZSAD-LLVKDONJSA-N 1 1 323.372 2.259 20 10 DECDMO C[C@@H]1CN(C2C[NH+](Cc3ccc(N(C)C)cc3)C2)C[C@H](C)O1 ZINC001203937381 798499552 /nfs/dbraw/zinc/49/95/52/798499552.db2.gz XWAQWCJYOLKJTD-GASCZTMLSA-N 1 1 303.450 2.046 20 10 DECDMO CCn1cc2c(n1)C[N@@H+](Cc1ccccc1O)C[C@H]2COC ZINC001203551315 800077286 /nfs/dbraw/zinc/07/72/86/800077286.db2.gz BWIVLRZGOGWNGI-AWEZNQCLSA-N 1 1 301.390 2.354 20 10 DECDMO CCn1cc2c(n1)C[N@H+](Cc1ccccc1O)C[C@H]2COC ZINC001203551315 800077295 /nfs/dbraw/zinc/07/72/95/800077295.db2.gz BWIVLRZGOGWNGI-AWEZNQCLSA-N 1 1 301.390 2.354 20 10 DECDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2O)C1)c1ccccn1 ZINC001203561290 800080326 /nfs/dbraw/zinc/08/03/26/800080326.db2.gz PGMZYKVYSIKNQR-OAHLLOKOSA-N 1 1 311.385 2.182 20 10 DECDMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2O)C1)N1CCCC1 ZINC001203561700 800080515 /nfs/dbraw/zinc/08/05/15/800080515.db2.gz YDJPDIFSRNNKAY-OAHLLOKOSA-N 1 1 303.406 2.162 20 10 DECDMO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)c1O ZINC001203601670 800087969 /nfs/dbraw/zinc/08/79/69/800087969.db2.gz GKVOJOBCHRLJHC-OAHLLOKOSA-N 1 1 318.417 2.282 20 10 DECDMO CCOc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c1O ZINC001203617029 800092068 /nfs/dbraw/zinc/09/20/68/800092068.db2.gz GNHNGGQCPANTTC-OAHLLOKOSA-N 1 1 318.417 2.282 20 10 DECDMO COc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c(O)c1 ZINC001203627921 800094033 /nfs/dbraw/zinc/09/40/33/800094033.db2.gz 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ZINC001203926560 800146607 /nfs/dbraw/zinc/14/66/07/800146607.db2.gz AVSIZCXANAGLCY-UHFFFAOYSA-N 1 1 315.360 2.472 20 10 DECDMO CCO[C@@H]1C[C@H]2CN(Cc3ccc(N(C)C)cc3)CC[N@H+]2C1 ZINC001203933278 800147702 /nfs/dbraw/zinc/14/77/02/800147702.db2.gz KFSNUQCXPVZFSZ-ZWKOTPCHSA-N 1 1 303.450 2.048 20 10 DECDMO CN(C)c1ccc(C[NH+]2CCN(C(=O)C3CCC3)CC2)cc1 ZINC001203936212 800149155 /nfs/dbraw/zinc/14/91/55/800149155.db2.gz AYTJUOMERRRZTN-UHFFFAOYSA-N 1 1 301.434 2.197 20 10 DECDMO COCCCCN1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203937335 800149229 /nfs/dbraw/zinc/14/92/29/800149229.db2.gz VKHFEXUBNZJWGE-UHFFFAOYSA-N 1 1 305.466 2.297 20 10 DECDMO O=C(c1ccccc1)N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204271675 800197892 /nfs/dbraw/zinc/19/78/92/800197892.db2.gz BKOSLFOJMCISLO-UHFFFAOYSA-N 1 1 312.369 2.056 20 10 DECDMO COc1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc(O)c1O ZINC001204345173 800206821 /nfs/dbraw/zinc/20/68/21/800206821.db2.gz NMZHVYOTHFXMFY-AWEZNQCLSA-N 1 1 300.358 2.491 20 10 DECDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000934263146 800303936 /nfs/dbraw/zinc/30/39/36/800303936.db2.gz BITVZLKARFUSBC-RTBURBONSA-N 1 1 317.477 2.174 20 10 DECDMO CCN(C)c1ccc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000934263146 800303940 /nfs/dbraw/zinc/30/39/40/800303940.db2.gz BITVZLKARFUSBC-RTBURBONSA-N 1 1 317.477 2.174 20 10 DECDMO CCN(C)c1ccc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000934263146 800303947 /nfs/dbraw/zinc/30/39/47/800303947.db2.gz BITVZLKARFUSBC-RTBURBONSA-N 1 1 317.477 2.174 20 10 DECDMO C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(F)cc(Br)c1O ZINC001205196727 800314028 /nfs/dbraw/zinc/31/40/28/800314028.db2.gz AHNCMBRGWLSRFW-RDDDGLTNSA-N 1 1 303.175 2.215 20 10 DECDMO COc1cc(C)c(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c(O)c1 ZINC001205639823 800392908 /nfs/dbraw/zinc/39/29/08/800392908.db2.gz MVWKVVLZMINBED-CQSZACIVSA-N 1 1 321.417 2.479 20 10 DECDMO COc1ccc(N2CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208603294 801026302 /nfs/dbraw/zinc/02/63/02/801026302.db2.gz AHXGWXGEYCHJTH-MRXNPFEDSA-N 1 1 303.450 2.159 20 10 DECDMO COc1ccc(Br)c(C[N@@H+](C)CC2COC2)c1O ZINC001231554561 801686765 /nfs/dbraw/zinc/68/67/65/801686765.db2.gz XWXYUQYEFKOBBC-UHFFFAOYSA-N 1 1 316.195 2.242 20 10 DECDMO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1cccc(C)c1O)C2 ZINC001231592091 801692229 /nfs/dbraw/zinc/69/22/29/801692229.db2.gz PCNWEDGGEDEMJH-CQSZACIVSA-N 1 1 316.405 2.058 20 10 DECDMO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1cccc(C)c1O)C2 ZINC001231592091 801692231 /nfs/dbraw/zinc/69/22/31/801692231.db2.gz PCNWEDGGEDEMJH-CQSZACIVSA-N 1 1 316.405 2.058 20 10 DECDMO COc1cnc(O[C@H]2CC[N@@H+](Cc3cccc(C)c3O)C2)nc1 ZINC001231594446 801692388 /nfs/dbraw/zinc/69/23/88/801692388.db2.gz FFHYFMAZYCMOLY-AWEZNQCLSA-N 1 1 315.373 2.153 20 10 DECDMO COc1cc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c(O)cc1O ZINC001231636350 801700485 /nfs/dbraw/zinc/70/04/85/801700485.db2.gz SWNRRWYGVVYVTA-AWEZNQCLSA-N 1 1 316.357 2.155 20 10 DECDMO COc1cc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c(O)cc1O ZINC001231634691 801700502 /nfs/dbraw/zinc/70/05/02/801700502.db2.gz QTUQJOQAOJVSHV-QWHCGFSZSA-N 1 1 305.374 2.440 20 10 DECDMO COc1cc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c(O)cc1O ZINC001231634691 801700509 /nfs/dbraw/zinc/70/05/09/801700509.db2.gz QTUQJOQAOJVSHV-QWHCGFSZSA-N 1 1 305.374 2.440 20 10 DECDMO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)c(O)cc2O)C1 ZINC001231639216 801701597 /nfs/dbraw/zinc/70/15/97/801701597.db2.gz FRAOEFFUPULHDO-LBPRGKRZSA-N 1 1 323.389 2.272 20 10 DECDMO COc1cc(N(C)C)ccc1C[N@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001231854201 801739402 /nfs/dbraw/zinc/73/94/02/801739402.db2.gz BITBJYRXHRELOY-UHFFFAOYSA-N 1 1 313.401 2.420 20 10 DECDMO COC(=O)c1c(C[N@H+]2CCC[C@](C)(O)C2)c2ccccc2n1C ZINC001232408280 801873036 /nfs/dbraw/zinc/87/30/36/801873036.db2.gz YRLPFPSOBCOELL-SFHVURJKSA-N 1 1 316.401 2.312 20 10 DECDMO CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010199 802001202 /nfs/dbraw/zinc/00/12/02/802001202.db2.gz NHOUEYXFQCGMRF-KRWDZBQOSA-N 1 1 323.389 2.359 20 10 DECDMO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(O)c(O)c(O)c1 ZINC001233010570 802002223 /nfs/dbraw/zinc/00/22/23/802002223.db2.gz QSAARCMVMVETPO-UHFFFAOYSA-N 1 1 317.341 2.207 20 10 DECDMO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(O)c(O)c(O)c1 ZINC001233010570 802002230 /nfs/dbraw/zinc/00/22/30/802002230.db2.gz QSAARCMVMVETPO-UHFFFAOYSA-N 1 1 317.341 2.207 20 10 DECDMO Oc1cc(C[N@H+]2CCC[C@H]2Cc2ccccn2)cc(O)c1O ZINC001233011526 802002985 /nfs/dbraw/zinc/00/29/85/802002985.db2.gz CFJZFQSGJHCFQM-AWEZNQCLSA-N 1 1 300.358 2.406 20 10 DECDMO [O-]c1cc(Br)cc(F)c1CN1CCC[C@@H](CO)C1 ZINC001233027365 802007159 /nfs/dbraw/zinc/00/71/59/802007159.db2.gz QLNCUSOSQZSVNC-SECBINFHSA-N 1 1 318.186 2.498 20 10 DECDMO COC[C@H]1CC[N@@H+]1Cc1cc(Br)c(OC)cc1O ZINC001233143055 802033887 /nfs/dbraw/zinc/03/38/87/802033887.db2.gz VGQUYAHLCIYBLK-SNVBAGLBSA-N 1 1 316.195 2.384 20 10 DECDMO COC[C@H]1CC[N@H+]1Cc1cc(Br)c(OC)cc1O ZINC001233143055 802033894 /nfs/dbraw/zinc/03/38/94/802033894.db2.gz VGQUYAHLCIYBLK-SNVBAGLBSA-N 1 1 316.195 2.384 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C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cnccn1 ZINC000165182333 402473529 /nfs/dbraw/zinc/47/35/29/402473529.db2.gz DELPKRVNXNYLHV-CYBMUJFWSA-N 1 1 316.380 2.303 20 10 DECDMO CCCOc1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC000187532738 402503986 /nfs/dbraw/zinc/50/39/86/402503986.db2.gz MKLRMHZQCOBCEN-QGZVFWFLSA-N 1 1 307.390 2.172 20 10 DECDMO Cc1cccc(C[NH+]2CCC(CN3CCOCC3)CC2)c1O ZINC000179684811 402598381 /nfs/dbraw/zinc/59/83/81/402598381.db2.gz YQUJDJRNNNTAFM-UHFFFAOYSA-N 1 1 304.434 2.245 20 10 DECDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1O ZINC000263706883 402793783 /nfs/dbraw/zinc/79/37/83/402793783.db2.gz JJXRXVWRLGHMRT-KGLIPLIRSA-N 1 1 305.422 2.312 20 10 DECDMO COc1c(O)c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000278499428 402867062 /nfs/dbraw/zinc/86/70/62/402867062.db2.gz NJIMRHPZSVTRKB-VCTAVGKDSA-N 1 1 322.361 2.212 20 10 DECDMO COc1c(O)c(C[NH2+][C@H](C)[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000278521217 402867369 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COc1cccc(O)c1C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000768347854 641070435 /nfs/dbraw/zinc/07/04/35/641070435.db2.gz VYNGWWZFKNKKEW-CQSZACIVSA-N 1 1 318.417 2.139 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CCc3ccsc3C1)[C@@H](O)CO2 ZINC000768466253 641085910 /nfs/dbraw/zinc/08/59/10/641085910.db2.gz WWVRNFOYRVMRMK-AWEZNQCLSA-N 1 1 303.383 2.438 20 10 DECDMO CCOc1ccc(C[NH+]2CCN(CC(F)F)CC2)c(O)c1 ZINC000769148826 641185597 /nfs/dbraw/zinc/18/55/97/641185597.db2.gz SYVDGUGDESBKDE-UHFFFAOYSA-N 1 1 300.349 2.174 20 10 DECDMO CCOc1ccc(C[N@H+](C)[C@H](C)CS(=O)(=O)CC)c(O)c1 ZINC000769422964 641237479 /nfs/dbraw/zinc/23/74/79/641237479.db2.gz NWLPIYZAJRGDPB-GFCCVEGCSA-N 1 1 315.435 2.046 20 10 DECDMO CCOc1ccc(C[N@@H+](C)[C@H](C)CS(=O)(=O)CC)c(O)c1 ZINC000769422964 641237486 /nfs/dbraw/zinc/23/74/86/641237486.db2.gz NWLPIYZAJRGDPB-GFCCVEGCSA-N 1 1 315.435 2.046 20 10 DECDMO COc1ccc(N2CC[NH+](Cc3cnc(N)s3)CC2)cc1F ZINC000770305685 641355768 /nfs/dbraw/zinc/35/57/68/641355768.db2.gz IAKQQESINZVNLT-UHFFFAOYSA-N 1 1 322.409 2.195 20 10 DECDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1O ZINC000770509737 641378996 /nfs/dbraw/zinc/37/89/96/641378996.db2.gz RYMDTKQMRZEBCO-LBPRGKRZSA-N 1 1 320.414 2.233 20 10 DECDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000773030059 641719188 /nfs/dbraw/zinc/71/91/88/641719188.db2.gz JRQOITKTFIKLHA-GFCCVEGCSA-N 1 1 300.410 2.315 20 10 DECDMO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775011962 641993738 /nfs/dbraw/zinc/99/37/38/641993738.db2.gz NOZOFUJUDXYXQV-BONVTDFDSA-N 1 1 312.366 2.196 20 10 DECDMO COc1c(O)c(C[NH2+][C@H]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775031644 641996756 /nfs/dbraw/zinc/99/67/56/641996756.db2.gz FKWHURZHGDKZCR-NSHDSACASA-N 1 1 310.350 2.356 20 10 DECDMO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1ccc(N(C)C)cc1 ZINC000775404806 642039109 /nfs/dbraw/zinc/03/91/09/642039109.db2.gz OPBCSEHUZSQUTF-ZIAGYGMSSA-N 1 1 321.490 2.367 20 10 DECDMO CC[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775648766 642071607 /nfs/dbraw/zinc/07/16/07/642071607.db2.gz WVPLVLDLLPXIMN-GOSISDBHSA-N 1 1 303.450 2.049 20 10 DECDMO CN1CCN(c2ccc(C[N@H+](C)CCOCC3CC3)cc2)CC1 ZINC000775728368 642087034 /nfs/dbraw/zinc/08/70/34/642087034.db2.gz SBEIZDXHGMCGDW-UHFFFAOYSA-N 1 1 317.477 2.297 20 10 DECDMO CN1CCN(c2ccc(C[N@@H+](C)CCOCC3CC3)cc2)CC1 ZINC000775728368 642087039 /nfs/dbraw/zinc/08/70/39/642087039.db2.gz SBEIZDXHGMCGDW-UHFFFAOYSA-N 1 1 317.477 2.297 20 10 DECDMO O=C(N1CCCCC1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000778993822 642453248 /nfs/dbraw/zinc/45/32/48/642453248.db2.gz AENZYIMLRURSPP-UHFFFAOYSA-N 1 1 303.406 2.116 20 10 DECDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](CO)C2CC2)c1 ZINC000781631447 642772680 /nfs/dbraw/zinc/77/26/80/642772680.db2.gz LACVKEYEKKBBQB-LBPRGKRZSA-N 1 1 300.196 2.324 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@](C)(O)C2)c1 ZINC000781908417 642797839 /nfs/dbraw/zinc/79/78/39/642797839.db2.gz MOEHOZYCKOVAGD-ZDUSSCGKSA-N 1 1 300.196 2.420 20 10 DECDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@](C)(O)C2)c1 ZINC000781908417 642797843 /nfs/dbraw/zinc/79/78/43/642797843.db2.gz MOEHOZYCKOVAGD-ZDUSSCGKSA-N 1 1 300.196 2.420 20 10 DECDMO COCCn1c(C)c(C)c2cc(-c3nc(C[NH3+])no3)ccc21 ZINC000842650859 650795471 /nfs/dbraw/zinc/79/54/71/650795471.db2.gz NGRAUDOBLPHPOB-UHFFFAOYSA-N 1 1 300.362 2.413 20 10 DECDMO COc1cc(C[N@H+]2CCOC[C@H]2C[C@@H]2CCCO2)c(O)cc1C ZINC000902610454 643083785 /nfs/dbraw/zinc/08/37/85/643083785.db2.gz TYQVKARIBYTADZ-CVEARBPZSA-N 1 1 321.417 2.479 20 10 DECDMO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cn(C)cn1 ZINC000903449335 643355391 /nfs/dbraw/zinc/35/53/91/643355391.db2.gz XKUYSNMJPTUIRX-KBXCAEBGSA-N 1 1 315.465 2.440 20 10 DECDMO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1cc(F)cc(F)c1O ZINC000842919113 650852367 /nfs/dbraw/zinc/85/23/67/650852367.db2.gz JXEBWHCGOWGKDG-MGPLVRAMSA-N 1 1 315.360 2.499 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCOC(F)(F)F)c1 ZINC000788982614 643668348 /nfs/dbraw/zinc/66/83/48/643668348.db2.gz XHGXERWVMGAWMM-MRVPVSSYSA-N 1 1 307.268 2.366 20 10 DECDMO COc1c([O-])c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000843044079 650875663 /nfs/dbraw/zinc/87/56/63/650875663.db2.gz SFNDFBGIYVADKX-UHFFFAOYSA-N 1 1 321.377 2.025 20 10 DECDMO COc1c(O)c(CN(C2CC2)C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000843044079 650875667 /nfs/dbraw/zinc/87/56/67/650875667.db2.gz SFNDFBGIYVADKX-UHFFFAOYSA-N 1 1 321.377 2.025 20 10 DECDMO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790982924 643916848 /nfs/dbraw/zinc/91/68/48/643916848.db2.gz ZNAYINIWEPYROS-LDYMZIIASA-N 1 1 300.761 2.189 20 10 DECDMO Cn1ccc([C@H]2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000905722777 644021276 /nfs/dbraw/zinc/02/12/76/644021276.db2.gz MZEUSEHOAHMEMD-LBPRGKRZSA-N 1 1 315.373 2.234 20 10 DECDMO C[C@]12CC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C[C@H]1C2(F)F ZINC000793524281 644266583 /nfs/dbraw/zinc/26/65/83/644266583.db2.gz HBHCPDARFFJBGN-YUELXQCFSA-N 1 1 311.328 2.295 20 10 DECDMO C[C@@H](O)C[N@@H+]1CCN(Cc2c(O)ccc(Cl)c2F)[C@H](C)C1 ZINC000793591041 644276462 /nfs/dbraw/zinc/27/64/62/644276462.db2.gz QMWDDHWHMCZHOV-GHMZBOCLSA-N 1 1 316.804 2.072 20 10 DECDMO C[C@@H](O)C[N@H+]1CCN(Cc2c(O)ccc(Cl)c2F)[C@H](C)C1 ZINC000793591041 644276467 /nfs/dbraw/zinc/27/64/67/644276467.db2.gz QMWDDHWHMCZHOV-GHMZBOCLSA-N 1 1 316.804 2.072 20 10 DECDMO COc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)c(O)c1 ZINC000794381072 644406143 /nfs/dbraw/zinc/40/61/43/644406143.db2.gz JZKQIXJZZBEHFG-QGZVFWFLSA-N 1 1 314.385 2.320 20 10 DECDMO CCC[N@H+]1CCC[C@@H](C(=O)NCc2cccc(OC)c2O)C1 ZINC000907062013 644434401 /nfs/dbraw/zinc/43/44/01/644434401.db2.gz ZXMQBYSDNZFNGZ-CQSZACIVSA-N 1 1 306.406 2.139 20 10 DECDMO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000796485381 644743221 /nfs/dbraw/zinc/74/32/21/644743221.db2.gz YILJVVBVHUAGJF-RHSMWYFYSA-N 1 1 305.491 2.280 20 10 DECDMO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000796498887 644745740 /nfs/dbraw/zinc/74/57/40/644745740.db2.gz YRCJVPRNWNXPSP-SJLPKXTDSA-N 1 1 317.477 2.201 20 10 DECDMO COc1c(O)c(C[N@H+]2CC[C@@H](OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000843412993 650969069 /nfs/dbraw/zinc/96/90/69/650969069.db2.gz CUKRNKRNFSRYAC-GFCCVEGCSA-N 1 1 310.350 2.308 20 10 DECDMO COc1ccc(N2CCC[N@H+](CN3CC[C@H](C)C3=O)CC2)cc1 ZINC000839969240 645532040 /nfs/dbraw/zinc/53/20/40/645532040.db2.gz KOCFTXAICUIUFI-HNNXBMFYSA-N 1 1 317.433 2.033 20 10 DECDMO COc1ccc(N2CCC[N@@H+](CN3CC[C@H](C)C3=O)CC2)cc1 ZINC000839969240 645532042 /nfs/dbraw/zinc/53/20/42/645532042.db2.gz KOCFTXAICUIUFI-HNNXBMFYSA-N 1 1 317.433 2.033 20 10 DECDMO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(F)cc(F)c1O ZINC000806173943 645805459 /nfs/dbraw/zinc/80/54/59/645805459.db2.gz PDJCMUCKULUSRV-NXEZZACHSA-N 1 1 319.373 2.146 20 10 DECDMO CCOc1ccc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c(O)c1 ZINC000809700715 646265809 /nfs/dbraw/zinc/26/58/09/646265809.db2.gz MZZIYBHJWDVJQI-ZBFHGGJFSA-N 1 1 320.433 2.086 20 10 DECDMO COc1cccc(C[N@H+]2CCC[C@H](CCNC(C)=O)C2)c1O ZINC000809778210 646282196 /nfs/dbraw/zinc/28/21/96/646282196.db2.gz MKHVXIKIQIWPFR-CQSZACIVSA-N 1 1 306.406 2.139 20 10 DECDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000840185847 646288811 /nfs/dbraw/zinc/28/88/11/646288811.db2.gz IMJYRBYIHPVCTF-CQSZACIVSA-N 1 1 309.431 2.347 20 10 DECDMO CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000730281516 646889018 /nfs/dbraw/zinc/88/90/18/646889018.db2.gz ZMEJRDANIHTGST-HNNXBMFYSA-N 1 1 319.449 2.042 20 10 DECDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000815122879 646974483 /nfs/dbraw/zinc/97/44/83/646974483.db2.gz QNAWHUDZMVPTOM-INIZCTEOSA-N 1 1 324.490 2.399 20 10 DECDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000815122879 646974486 /nfs/dbraw/zinc/97/44/86/646974486.db2.gz QNAWHUDZMVPTOM-INIZCTEOSA-N 1 1 324.490 2.399 20 10 DECDMO CCC[N@@H+](CC(=O)N1CCOC(C)(C)C1)Cc1ccccc1O ZINC000929753344 647021627 /nfs/dbraw/zinc/02/16/27/647021627.db2.gz NVFKCWRPPKJELF-UHFFFAOYSA-N 1 1 320.433 2.242 20 10 DECDMO C[C@@H](O)C[NH+]1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816503392 647143921 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CCOc1cccc(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c1O ZINC001275270874 1091646628 /nfs/dbraw/zinc/64/66/28/1091646628.db2.gz NQGLVYMSBPVUTO-GOSISDBHSA-N 1 1 320.433 2.088 20 10 DECDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)ccc1[O-] ZINC001275276304 1091647922 /nfs/dbraw/zinc/64/79/22/1091647922.db2.gz IBUXZGMUHHKOQP-HOTGVXAUSA-N 1 1 323.868 2.256 20 10 DECDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)ccc1[O-] ZINC001275276304 1091647928 /nfs/dbraw/zinc/64/79/28/1091647928.db2.gz IBUXZGMUHHKOQP-HOTGVXAUSA-N 1 1 323.868 2.256 20 10 DECDMO Cc1ccc(C)c(C[N@@H+]2CCC[C@]3(CN(C)CCO3)C2)c1O ZINC001275965412 1092388078 /nfs/dbraw/zinc/38/80/78/1092388078.db2.gz FUXDYSLHQAUJKS-SFHVURJKSA-N 1 1 304.434 2.306 20 10 DECDMO COC(=O)CC[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC001236671744 1138392829 /nfs/dbraw/zinc/39/28/29/1138392829.db2.gz XLIMVAFJEIAPCB-UHFFFAOYSA-N 1 1 316.195 2.458 20 10 DECDMO COC(=O)CC[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC001236671744 1138392834 /nfs/dbraw/zinc/39/28/34/1138392834.db2.gz XLIMVAFJEIAPCB-UHFFFAOYSA-N 1 1 316.195 2.458 20 10 DECDMO CO[C@@H]1CCC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236770552 1138422247 /nfs/dbraw/zinc/42/22/47/1138422247.db2.gz IVCQLXCGHKDTDR-SNVBAGLBSA-N 1 1 316.195 2.471 20 10 DECDMO CO[C@@H]1CCC[N@@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236770552 1138422258 /nfs/dbraw/zinc/42/22/58/1138422258.db2.gz IVCQLXCGHKDTDR-SNVBAGLBSA-N 1 1 316.195 2.471 20 10 DECDMO COC[C@H]1CCC[N@H+]1Cc1cc(O)c(Br)cc1O ZINC001236773961 1138423704 /nfs/dbraw/zinc/42/37/04/1138423704.db2.gz WOLMPZCKZYYCCW-SNVBAGLBSA-N 1 1 316.195 2.471 20 10 DECDMO CCc1ccc(C[N@H+]2CCc3ncnc(OC)c3CC2)c(O)c1 ZINC001236788480 1138428484 /nfs/dbraw/zinc/42/84/84/1138428484.db2.gz UUSIWJATSPIMKL-UHFFFAOYSA-N 1 1 313.401 2.354 20 10 DECDMO COC(=O)C[C@H]1CC[N@@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236805994 1138433343 /nfs/dbraw/zinc/43/33/43/1138433343.db2.gz KIJSUCJMNLQFQG-SNVBAGLBSA-N 1 1 313.781 2.439 20 10 DECDMO COC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cc(OC)cc2O)[C@@H]1C ZINC001236810392 1138435350 /nfs/dbraw/zinc/43/53/50/1138435350.db2.gz FMKLKEJTRHAPAT-OCCSQVGLSA-N 1 1 307.390 2.483 20 10 DECDMO COc1cc(C)c(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(O)c1 ZINC001236815016 1138438173 /nfs/dbraw/zinc/43/81/73/1138438173.db2.gz ZUMCJAPBKGONSU-OAHLLOKOSA-N 1 1 320.433 2.006 20 10 DECDMO COc1cc(C)c(C[N@H+]2CC[C@H](Oc3ncccn3)C2)c(O)c1 ZINC001236816048 1138439104 /nfs/dbraw/zinc/43/91/04/1138439104.db2.gz QIQKFVDFHHDJKQ-ZDUSSCGKSA-N 1 1 315.373 2.153 20 10 DECDMO COc1cc(C)c(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)c(O)c1 ZINC001236822117 1138439395 /nfs/dbraw/zinc/43/93/95/1138439395.db2.gz XZUGSIWFENILHH-UHFFFAOYSA-N 1 1 320.433 2.400 20 10 DECDMO CCOc1ccc(C[N@H+]2C[C@H](C(=O)OC)C3(CC3)C2)c(O)c1 ZINC001237048671 1138489281 /nfs/dbraw/zinc/48/92/81/1138489281.db2.gz VKDPZQDDOHETIP-CQSZACIVSA-N 1 1 305.374 2.176 20 10 DECDMO CC(C)c1ccc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)c(O)c1 ZINC001237056274 1138492163 /nfs/dbraw/zinc/49/21/63/1138492163.db2.gz WEWGJHGFINRYQT-QGZVFWFLSA-N 1 1 315.417 2.479 20 10 DECDMO C[N@H+](C1CN(Cc2cc(Cl)cc(F)c2O)C1)[C@H]1CCOC1 ZINC001237622599 1138720100 /nfs/dbraw/zinc/72/01/00/1138720100.db2.gz UZCWTNJYIXEMQL-LBPRGKRZSA-N 1 1 314.788 2.090 20 10 DECDMO C[N@@H+](C1CN(Cc2cc(Cl)cc(F)c2O)C1)[C@H]1CCOC1 ZINC001237622599 1138720109 /nfs/dbraw/zinc/72/01/09/1138720109.db2.gz UZCWTNJYIXEMQL-LBPRGKRZSA-N 1 1 314.788 2.090 20 10 DECDMO Cc1cc(Cl)cc(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)c1O ZINC001237688326 1138757510 /nfs/dbraw/zinc/75/75/10/1138757510.db2.gz IELVTHMQUNDFFR-HNNXBMFYSA-N 1 1 321.808 2.317 20 10 DECDMO Cc1cc(Cl)cc(C[N@H+]2Cc3ccnn3CC[C@H]2CO)c1O ZINC001237688326 1138757517 /nfs/dbraw/zinc/75/75/17/1138757517.db2.gz IELVTHMQUNDFFR-HNNXBMFYSA-N 1 1 321.808 2.317 20 10 DECDMO C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)c1ccc(N(C)C)cc1 ZINC001320420352 1140862702 /nfs/dbraw/zinc/86/27/02/1140862702.db2.gz DSKSBDDIXJYRDS-GFCCVEGCSA-N 1 1 316.405 2.293 20 10 DECDMO COc1c(O)c(C[NH2+][C@H]2CCCC[C@@H]2N(C)C)ccc1[N+](=O)[O-] ZINC001320869617 1140965353 /nfs/dbraw/zinc/96/53/53/1140965353.db2.gz NPYVMDMWTQRPAI-STQMWFEESA-N 1 1 323.393 2.271 20 10 DECDMO C[NH+]1CCN(c2ccc(CNc3ccncc3F)cc2F)CC1 ZINC001321074211 1141047400 /nfs/dbraw/zinc/04/74/00/1141047400.db2.gz GZSZIBGTPAPHMT-UHFFFAOYSA-N 1 1 318.371 2.146 20 10 DECDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC001246789975 1141062045 /nfs/dbraw/zinc/06/20/45/1141062045.db2.gz KMTNJCLWJGPRMQ-QAPCUYQASA-N 1 1 303.450 2.096 20 10 DECDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c(O)c1 ZINC001249178805 1141857256 /nfs/dbraw/zinc/85/72/56/1141857256.db2.gz VXUMLBHJOFMMQZ-YOEHRIQHSA-N 1 1 319.401 2.109 20 10 DECDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(CC(=O)OC)cc1O ZINC001249201543 1141858915 /nfs/dbraw/zinc/85/89/15/1141858915.db2.gz WYGTTWAWRMWDBO-MRXNPFEDSA-N 1 1 321.417 2.499 20 10 DECDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CCCC[C@@H]3C(N)=O)ccc2O1 ZINC001249244671 1141863873 /nfs/dbraw/zinc/86/38/73/1141863873.db2.gz LOZRKYCGBZVZRI-CQSZACIVSA-N 1 1 316.401 2.416 20 10 DECDMO Cc1cc(C[N@H+]2CC[C@@H](F)[C@H](O)C2)c(O)cc1Br ZINC001250120540 1142084420 /nfs/dbraw/zinc/08/44/20/1142084420.db2.gz HORQPDQEMZCOFH-DGCLKSJQSA-N 1 1 318.186 2.368 20 10 DECDMO Cc1cc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c(O)cc1Br ZINC001250120540 1142084417 /nfs/dbraw/zinc/08/44/17/1142084417.db2.gz HORQPDQEMZCOFH-DGCLKSJQSA-N 1 1 318.186 2.368 20 10 DECDMO COCC[N@@H+](CCC(=O)OC)Cc1ccc(N2CCCC2)cc1 ZINC001337032555 1142665218 /nfs/dbraw/zinc/66/52/18/1142665218.db2.gz IEQNKDAEQHNWQZ-UHFFFAOYSA-N 1 1 320.433 2.298 20 10 DECDMO Oc1cccc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC001252936640 1142832294 /nfs/dbraw/zinc/83/22/94/1142832294.db2.gz YXEJQMWUDJKONL-SFHVURJKSA-N 1 1 314.385 2.147 20 10 DECDMO COC1CCN(c2ccc(C[N@H+]3C[C@H](O)C4(CC4)C3)cc2)CC1 ZINC001324720635 1147836067 /nfs/dbraw/zinc/83/60/67/1147836067.db2.gz LQZWOGDCUBNRNC-SFHVURJKSA-N 1 1 316.445 2.259 20 10 DECDMO COc1cccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000092455428 185319570 /nfs/dbraw/zinc/31/95/70/185319570.db2.gz WOMQPGSYZAIHNQ-ZDUSSCGKSA-N 1 1 322.405 2.500 20 10 DECDMO CC(C)(C)[N@H+]1CCCN(C(=O)NCc2ccc(N)cc2)CC1 ZINC001353539594 1151837135 /nfs/dbraw/zinc/83/71/35/1151837135.db2.gz NPUGKPYEUUSPQC-UHFFFAOYSA-N 1 1 304.438 2.285 20 10 DECDMO CCCC[N@@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000048614883 354354253 /nfs/dbraw/zinc/35/42/53/354354253.db2.gz WVJDKPHDMMMYOS-UHFFFAOYSA-N 1 1 319.449 2.076 20 10 DECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000139403484 355876850 /nfs/dbraw/zinc/87/68/50/355876850.db2.gz ZIBSOIXGWPCJNJ-QGZVFWFLSA-N 1 1 318.465 2.378 20 10 DECDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000076074388 283297534 /nfs/dbraw/zinc/29/75/34/283297534.db2.gz FYLUBMQBVUOMAS-CYBMUJFWSA-N 1 1 321.421 2.227 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000092218394 193174912 /nfs/dbraw/zinc/17/49/12/193174912.db2.gz VZJCSYNTJYWLOY-INIZCTEOSA-N 1 1 320.433 2.088 20 10 DECDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000125697546 285392541 /nfs/dbraw/zinc/39/25/41/285392541.db2.gz VCWYUTPEJJBSOE-ZDUSSCGKSA-N 1 1 310.825 2.342 20 10 DECDMO COc1c(O)c(C[NH+]2CCC3(CCO3)CC2)ccc1[N+](=O)[O-] ZINC000374371802 533441377 /nfs/dbraw/zinc/44/13/77/533441377.db2.gz MDLZUPMHVZZKAW-UHFFFAOYSA-N 1 1 308.334 2.064 20 10 DECDMO COc1cccc(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000294697172 533479094 /nfs/dbraw/zinc/47/90/94/533479094.db2.gz CTWWFESGBIBNRM-ZDUSSCGKSA-N 1 1 308.378 2.063 20 10 DECDMO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cc2c(cc1O)CCCC2 ZINC000273424115 130121238 /nfs/dbraw/zinc/12/12/38/130121238.db2.gz SWFMSIAGGZOGRA-YOEHRIQHSA-N 1 1 318.461 2.378 20 10 DECDMO CCN1CCN(c2ccc(C[NH2+]CC3(C)COC3)cc2F)CC1 ZINC000286724559 131248198 /nfs/dbraw/zinc/24/81/98/131248198.db2.gz XJSYCQIUTAMYTC-UHFFFAOYSA-N 1 1 321.440 2.094 20 10 DECDMO CSC[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298587217 132069570 /nfs/dbraw/zinc/06/95/70/132069570.db2.gz KBPWJYQDJIVVIE-INIZCTEOSA-N 1 1 321.490 2.196 20 10 DECDMO CC(C)CNC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298699791 132074002 /nfs/dbraw/zinc/07/40/02/132074002.db2.gz GQPFEVMKPXXYLJ-UHFFFAOYSA-N 1 1 303.450 2.489 20 10 DECDMO CCOC(=O)CCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866310 401911145 /nfs/dbraw/zinc/91/11/45/401911145.db2.gz KZFDFHQYEFDFKX-UHFFFAOYSA-N 1 1 324.396 2.300 20 10 DECDMO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000121124043 402016530 /nfs/dbraw/zinc/01/65/30/402016530.db2.gz KBBMDLZXKGKOPI-ZDUSSCGKSA-N 1 1 303.406 2.018 20 10 DECDMO c1cc(N2CCOCC2)ccc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000092616078 402006200 /nfs/dbraw/zinc/00/62/00/402006200.db2.gz RVGZBDSJJYTZKW-LJQANCHMSA-N 1 1 315.461 2.193 20 10 DECDMO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000092616078 402006203 /nfs/dbraw/zinc/00/62/03/402006203.db2.gz RVGZBDSJJYTZKW-LJQANCHMSA-N 1 1 315.461 2.193 20 10 DECDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000092616078 402006206 /nfs/dbraw/zinc/00/62/06/402006206.db2.gz RVGZBDSJJYTZKW-LJQANCHMSA-N 1 1 315.461 2.193 20 10 DECDMO C[N@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(F)cc1 ZINC000109772656 402276208 /nfs/dbraw/zinc/27/62/08/402276208.db2.gz AKXDJQBLQLCUNT-HNNXBMFYSA-N 1 1 305.349 2.403 20 10 DECDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000184680541 402291560 /nfs/dbraw/zinc/29/15/60/402291560.db2.gz SIYMKOKIVAKYSQ-ZDUSSCGKSA-N 1 1 324.808 2.297 20 10 DECDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000184680541 402291562 /nfs/dbraw/zinc/29/15/62/402291562.db2.gz SIYMKOKIVAKYSQ-ZDUSSCGKSA-N 1 1 324.808 2.297 20 10 DECDMO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(Cl)cc(OC)c1O ZINC000184683190 402291625 /nfs/dbraw/zinc/29/16/25/402291625.db2.gz DMEPZUPSQBANRA-UHFFFAOYSA-N 1 1 314.813 2.354 20 10 DECDMO C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000184900013 402307975 /nfs/dbraw/zinc/30/79/75/402307975.db2.gz HLTNYCBXDCBZFX-ZDUSSCGKSA-N 1 1 311.857 2.334 20 10 DECDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000177420911 402400145 /nfs/dbraw/zinc/40/01/45/402400145.db2.gz NAIRHHYJMJWRFT-INIZCTEOSA-N 1 1 309.337 2.119 20 10 DECDMO C[C@H](C(=O)NCCc1ccc(O)c(O)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245689039 402480191 /nfs/dbraw/zinc/48/01/91/402480191.db2.gz LIVHKYIIQBXOFA-FRRDWIJNSA-N 1 1 306.406 2.018 20 10 DECDMO C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1n1ccnc1 ZINC000246676660 402540278 /nfs/dbraw/zinc/54/02/78/402540278.db2.gz QSVCFCBOYXSXPM-GXTWGEPZSA-N 1 1 315.373 2.401 20 10 DECDMO CCOc1cccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c1O ZINC000179466437 402590812 /nfs/dbraw/zinc/59/08/12/402590812.db2.gz KAXMJRUUVGOBMA-CQSZACIVSA-N 1 1 302.378 2.220 20 10 DECDMO Oc1ccc(Br)cc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000179952802 402604319 /nfs/dbraw/zinc/60/43/19/402604319.db2.gz DRZUPTUILHQZRW-CYBMUJFWSA-N 1 1 311.223 2.435 20 10 DECDMO COc1cccc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)c1O ZINC000191747861 402689675 /nfs/dbraw/zinc/68/96/75/402689675.db2.gz ZJUZQUNLWIHOAD-AWEZNQCLSA-N 1 1 319.430 2.424 20 10 DECDMO COc1cccc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)c1O ZINC000191747861 402689678 /nfs/dbraw/zinc/68/96/78/402689678.db2.gz ZJUZQUNLWIHOAD-AWEZNQCLSA-N 1 1 319.430 2.424 20 10 DECDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000173309034 402691778 /nfs/dbraw/zinc/69/17/78/402691778.db2.gz MTMLMKDOYZDZKZ-INIZCTEOSA-N 1 1 318.465 2.236 20 10 DECDMO CC[C@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278322040 402862846 /nfs/dbraw/zinc/86/28/46/402862846.db2.gz GGERKDRTYSPTFY-INIZCTEOSA-N 1 1 324.377 2.294 20 10 DECDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278322040 402862847 /nfs/dbraw/zinc/86/28/47/402862847.db2.gz GGERKDRTYSPTFY-INIZCTEOSA-N 1 1 324.377 2.294 20 10 DECDMO COc1c(O)c(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)ccc1[N+](=O)[O-] ZINC000278486053 402866961 /nfs/dbraw/zinc/86/69/61/402866961.db2.gz KMKGCKUMVLYAIL-SCRDCRAPSA-N 1 1 322.361 2.356 20 10 DECDMO COc1c(O)c(C[NH2+][C@H]2CCCC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000278496155 402867146 /nfs/dbraw/zinc/86/71/46/402867146.db2.gz MJZBIMGUJOKNTM-WCQYABFASA-N 1 1 310.350 2.356 20 10 DECDMO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1F ZINC000278560871 402868214 /nfs/dbraw/zinc/86/82/14/402868214.db2.gz FLKULMMSNAVMCB-INIZCTEOSA-N 1 1 305.397 2.135 20 10 DECDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(F)ccc1O ZINC000278811843 402874004 /nfs/dbraw/zinc/87/40/04/402874004.db2.gz XIEYJEDCLCEHJL-ZDUSSCGKSA-N 1 1 308.397 2.216 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000280250118 402979794 /nfs/dbraw/zinc/97/97/94/402979794.db2.gz KZZAVKXUWFWJAY-SUMWQHHRSA-N 1 1 307.390 2.171 20 10 DECDMO CSCCC[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000281208968 403060719 /nfs/dbraw/zinc/06/07/19/403060719.db2.gz AZIFTGJGHDDRFO-UHFFFAOYSA-N 1 1 323.506 2.396 20 10 DECDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)Cn1cccn1 ZINC000282428847 403153062 /nfs/dbraw/zinc/15/30/62/403153062.db2.gz JXYFYYVMUAETLE-MRXNPFEDSA-N 1 1 303.406 2.252 20 10 DECDMO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)cc1F ZINC000271197993 403277109 /nfs/dbraw/zinc/27/71/09/403277109.db2.gz OMFHUBHMJPMJAE-MRXNPFEDSA-N 1 1 307.413 2.334 20 10 DECDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cc1F ZINC000271197993 403277112 /nfs/dbraw/zinc/27/71/12/403277112.db2.gz OMFHUBHMJPMJAE-MRXNPFEDSA-N 1 1 307.413 2.334 20 10 DECDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)ccc1N(C)C ZINC000294230184 403677977 /nfs/dbraw/zinc/67/79/77/403677977.db2.gz SSRRUMIYEBKEBD-CRAIPNDOSA-N 1 1 304.434 2.441 20 10 DECDMO O=C([C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1)N1CCCC1 ZINC000290297847 404115156 /nfs/dbraw/zinc/11/51/56/404115156.db2.gz AZLHLBRICFXUMX-LBPRGKRZSA-N 1 1 308.809 2.490 20 10 DECDMO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OCO2 ZINC000296547658 404300330 /nfs/dbraw/zinc/30/03/30/404300330.db2.gz MQDXFNUPTQTTHA-UHFFFAOYSA-N 1 1 324.377 2.077 20 10 DECDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC000297319141 404551856 /nfs/dbraw/zinc/55/18/56/404551856.db2.gz 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COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c1O ZINC000895007039 637379008 /nfs/dbraw/zinc/37/90/08/637379008.db2.gz GTZMLKYOINEMPX-JTQLQIEISA-N 1 1 322.796 2.470 20 10 DECDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c1O ZINC000895007039 637379009 /nfs/dbraw/zinc/37/90/09/637379009.db2.gz GTZMLKYOINEMPX-JTQLQIEISA-N 1 1 322.796 2.470 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000895008457 637381986 /nfs/dbraw/zinc/38/19/86/637381986.db2.gz YJUKHTPRVLRKGX-LBPRGKRZSA-N 1 1 302.378 2.207 20 10 DECDMO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3nc(C)n[nH]3)C2)c1 ZINC000895008457 637381988 /nfs/dbraw/zinc/38/19/88/637381988.db2.gz YJUKHTPRVLRKGX-LBPRGKRZSA-N 1 1 302.378 2.207 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](c3nc(C)n[nH]3)C2)c1 ZINC000895008457 637381993 /nfs/dbraw/zinc/38/19/93/637381993.db2.gz YJUKHTPRVLRKGX-LBPRGKRZSA-N 1 1 302.378 2.207 20 10 DECDMO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000895008457 637381997 /nfs/dbraw/zinc/38/19/97/637381997.db2.gz YJUKHTPRVLRKGX-LBPRGKRZSA-N 1 1 302.378 2.207 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000895008457 637382003 /nfs/dbraw/zinc/38/20/03/637382003.db2.gz YJUKHTPRVLRKGX-LBPRGKRZSA-N 1 1 302.378 2.207 20 10 DECDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000838028613 637384500 /nfs/dbraw/zinc/38/45/00/637384500.db2.gz ASCKFOXFMSAAFA-AWEZNQCLSA-N 1 1 322.428 2.127 20 10 DECDMO Oc1ccc(F)cc1C[N@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000895071927 637487575 /nfs/dbraw/zinc/48/75/75/637487575.db2.gz XWGINRXYVJHZNG-UHFFFAOYSA-N 1 1 317.364 2.318 20 10 DECDMO C[C@@](O)(C[NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000310480229 637654345 /nfs/dbraw/zinc/65/43/45/637654345.db2.gz DPIPSGLXIBDMTH-CYBMUJFWSA-N 1 1 300.196 2.405 20 10 DECDMO CCN(CC)c1ccc(C[NH2+][C@H](C)C2N=NC(=O)N2C)cc1F ZINC000895179328 637752489 /nfs/dbraw/zinc/75/24/89/637752489.db2.gz GWLLJGRZQALIGP-LLVKDONJSA-N 1 1 321.400 2.357 20 10 DECDMO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000840826427 650363056 /nfs/dbraw/zinc/36/30/56/650363056.db2.gz LLCFPUUQQKGZMO-JFUSQASVSA-N 1 1 305.296 2.475 20 10 DECDMO CC(C)[N@@H+](C)CC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000314642422 637771990 /nfs/dbraw/zinc/77/19/90/637771990.db2.gz CAWKMQBNTCUWPJ-UHFFFAOYSA-N 1 1 303.450 2.390 20 10 DECDMO COc1c(O)c(C[NH2+][C@H]2C[C@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000839180132 637811574 /nfs/dbraw/zinc/81/15/74/637811574.db2.gz CJSHUTGXPOUUBM-STQMWFEESA-N 1 1 322.361 2.356 20 10 DECDMO Cc1cc(O)c(C[NH+]2CCN(c3cnccn3)CC2)c(Cl)c1 ZINC000840910691 650377649 /nfs/dbraw/zinc/37/76/49/650377649.db2.gz PTAFKBDIAMDEJL-UHFFFAOYSA-N 1 1 318.808 2.466 20 10 DECDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840921255 650383404 /nfs/dbraw/zinc/38/34/04/650383404.db2.gz PROODLBRNXZNDW-MRXNPFEDSA-N 1 1 303.450 2.361 20 10 DECDMO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000840979487 650398580 /nfs/dbraw/zinc/39/85/80/650398580.db2.gz SGQPXAJSPDXFEJ-SJLPKXTDSA-N 1 1 317.477 2.031 20 10 DECDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000840979487 650398582 /nfs/dbraw/zinc/39/85/82/650398582.db2.gz SGQPXAJSPDXFEJ-SJLPKXTDSA-N 1 1 317.477 2.031 20 10 DECDMO CCOc1cccc(C[N@@H+](C)C(C)(C)CN2CCOCC2)c1O ZINC000840977769 650399062 /nfs/dbraw/zinc/39/90/62/650399062.db2.gz LXPGMMVRMVMWFB-UHFFFAOYSA-N 1 1 322.449 2.334 20 10 DECDMO COc1c([O-])c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc1[N+](=O)[O-] ZINC000895847204 638230562 /nfs/dbraw/zinc/23/05/62/638230562.db2.gz MXEMZDICPZKOKT-FZMZJTMJSA-N 1 1 322.361 2.310 20 10 DECDMO COc1c(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc1[N+](=O)[O-] ZINC000895847204 638230564 /nfs/dbraw/zinc/23/05/64/638230564.db2.gz MXEMZDICPZKOKT-FZMZJTMJSA-N 1 1 322.361 2.310 20 10 DECDMO COc1c(O)c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc1[N+](=O)[O-] ZINC000895847204 638230568 /nfs/dbraw/zinc/23/05/68/638230568.db2.gz MXEMZDICPZKOKT-FZMZJTMJSA-N 1 1 322.361 2.310 20 10 DECDMO COc1cc(C)cc(C[N@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1O ZINC000895918875 638266559 /nfs/dbraw/zinc/26/65/59/638266559.db2.gz CDIHYTIASHUNHH-JHJVBQTASA-N 1 1 306.406 2.149 20 10 DECDMO COc1cc(C)cc(C[N@@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1O ZINC000895918875 638266562 /nfs/dbraw/zinc/26/65/62/638266562.db2.gz CDIHYTIASHUNHH-JHJVBQTASA-N 1 1 306.406 2.149 20 10 DECDMO C[C@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CC[N@H+]1C ZINC000745786080 638289793 /nfs/dbraw/zinc/28/97/93/638289793.db2.gz DOHFIDRYENXQPQ-JSGCOSHPSA-N 1 1 322.428 2.174 20 10 DECDMO C[C@H](CC[NH3+])NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841049597 650414312 /nfs/dbraw/zinc/41/43/12/650414312.db2.gz FUPRFYBJNBGHBE-CYBMUJFWSA-N 1 1 306.410 2.412 20 10 DECDMO COCC1(C[NH2+]Cc2c([O-])cc(C)cc2Cl)CC[NH2+]CC1 ZINC000841068246 650420790 /nfs/dbraw/zinc/42/07/90/650420790.db2.gz LUUGVLUHVGUTGG-UHFFFAOYSA-N 1 1 312.841 2.460 20 10 DECDMO Cc1cccc(C[N@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000896398162 638502807 /nfs/dbraw/zinc/50/28/07/638502807.db2.gz YPXFWQNXBZIVTL-WMLDXEAASA-N 1 1 304.390 2.411 20 10 DECDMO Oc1c(Br)cccc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841106950 650433184 /nfs/dbraw/zinc/43/31/84/650433184.db2.gz SWHDBKWRJFSPQF-CQSZACIVSA-N 1 1 311.223 2.483 20 10 DECDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000896860201 638734182 /nfs/dbraw/zinc/73/41/82/638734182.db2.gz XWKAQUWQFUHVBI-RULNRJAQSA-N 1 1 301.745 2.078 20 10 DECDMO CC[N@@H+]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C ZINC000897194562 639238260 /nfs/dbraw/zinc/23/82/60/639238260.db2.gz LBYDKLLABIELJZ-SNVBAGLBSA-N 1 1 320.414 2.479 20 10 DECDMO CC[N@H+]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C ZINC000897194562 639238263 /nfs/dbraw/zinc/23/82/63/639238263.db2.gz LBYDKLLABIELJZ-SNVBAGLBSA-N 1 1 320.414 2.479 20 10 DECDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897297744 639384173 /nfs/dbraw/zinc/38/41/73/639384173.db2.gz OBRWTPJWMXKQJI-VHSXEESVSA-N 1 1 320.414 2.477 20 10 DECDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897297744 639384176 /nfs/dbraw/zinc/38/41/76/639384176.db2.gz OBRWTPJWMXKQJI-VHSXEESVSA-N 1 1 320.414 2.477 20 10 DECDMO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(F)cc(F)c1O ZINC000756512475 639668634 /nfs/dbraw/zinc/66/86/34/639668634.db2.gz ZFOPQSJRYLFLTA-JOYOIKCWSA-N 1 1 301.333 2.109 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(CC3CC3)C2)c1 ZINC000756555813 639673485 /nfs/dbraw/zinc/67/34/85/639673485.db2.gz VUESNPRDGURXKC-IUODEOHRSA-N 1 1 318.417 2.314 20 10 DECDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000756553958 639673741 /nfs/dbraw/zinc/67/37/41/639673741.db2.gz NKRJXFKUTGVDJR-STQMWFEESA-N 1 1 306.406 2.171 20 10 DECDMO C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C2CC2)c2c1c(F)ccc2O ZINC000756734184 639691457 /nfs/dbraw/zinc/69/14/57/639691457.db2.gz VWCCRPNNXDEGNH-KCJUWKMLSA-N 1 1 303.341 2.191 20 10 DECDMO COc1c(O)c(C[NH2+][C@]23C[C@H]2COC32CCC2)ccc1[N+](=O)[O-] ZINC000897388949 639941668 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CC(C)CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768464122 641085273 /nfs/dbraw/zinc/08/52/73/641085273.db2.gz NMXFUGDQHCHVQS-CJNGLKHVSA-N 1 1 307.390 2.065 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CCc3ccsc3C1)[C@H](O)CO2 ZINC000768466254 641085755 /nfs/dbraw/zinc/08/57/55/641085755.db2.gz WWVRNFOYRVMRMK-CQSZACIVSA-N 1 1 303.383 2.438 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCOC3(CCOCC3)CC2)c1O ZINC000768912903 641142790 /nfs/dbraw/zinc/14/27/90/641142790.db2.gz LZVSVMJEOIHJQU-UHFFFAOYSA-N 1 1 321.417 2.481 20 10 DECDMO COc1cccc(O)c1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000769019833 641156367 /nfs/dbraw/zinc/15/63/67/641156367.db2.gz HLPVHIXSRRXUFJ-UHFFFAOYSA-N 1 1 319.430 2.175 20 10 DECDMO CCN1CCN(c2ccc(C[NH2+]C3CC(OC)C3)cc2F)CC1 ZINC000769509519 641252893 /nfs/dbraw/zinc/25/28/93/641252893.db2.gz IDJHCEGLLDOPSR-UHFFFAOYSA-N 1 1 321.440 2.235 20 10 DECDMO COc1cccc(O)c1C[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000769513971 641252926 /nfs/dbraw/zinc/25/29/26/641252926.db2.gz HQSXUOKNAXULET-UHFFFAOYSA-N 1 1 322.449 2.191 20 10 DECDMO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1cc(Cl)ccc1O ZINC000769989071 641317432 /nfs/dbraw/zinc/31/74/32/641317432.db2.gz PHCLGYCBAPVPJA-VIFPVBQESA-N 1 1 307.785 2.293 20 10 DECDMO COc1cccc(O)c1CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000770352044 641358900 /nfs/dbraw/zinc/35/89/00/641358900.db2.gz XKQFHGLOXFMXLT-DDUZABMNSA-N 1 1 320.433 2.084 20 10 DECDMO CN1CCN(c2ccc(C[NH2+][C@@]3(C)CCCOC3)cc2)CC1 ZINC000771896036 641567840 /nfs/dbraw/zinc/56/78/40/641567840.db2.gz NNHWCAQPECDSMQ-SFHVURJKSA-N 1 1 303.450 2.097 20 10 DECDMO C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773372414 641765729 /nfs/dbraw/zinc/76/57/29/641765729.db2.gz SPLYEYXNINERCT-ZFWWWQNUSA-N 1 1 316.449 2.350 20 10 DECDMO COc1c(O)c(C[N@H+](CCCCO)C2CC2)ccc1[N+](=O)[O-] ZINC000774890080 641978248 /nfs/dbraw/zinc/97/82/48/641978248.db2.gz XRFNWILMVUDVOL-UHFFFAOYSA-N 1 1 310.350 2.046 20 10 DECDMO COc1c(O)c(C[N@@H+](CCCCO)C2CC2)ccc1[N+](=O)[O-] ZINC000774890080 641978250 /nfs/dbraw/zinc/97/82/50/641978250.db2.gz XRFNWILMVUDVOL-UHFFFAOYSA-N 1 1 310.350 2.046 20 10 DECDMO COC(=O)CC[N@H+](Cc1cccc(C)c1O)C[C@@H]1CCCO1 ZINC000775703694 642080749 /nfs/dbraw/zinc/08/07/49/642080749.db2.gz VRMVBGCPQVXWSK-HNNXBMFYSA-N 1 1 307.390 2.245 20 10 DECDMO C[C@H]([NH2+]Cc1nnnn1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000775837644 642103818 /nfs/dbraw/zinc/10/38/18/642103818.db2.gz NAYWMAXSKRKOGQ-LBPRGKRZSA-N 1 1 302.426 2.345 20 10 DECDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000775981678 642119703 /nfs/dbraw/zinc/11/97/03/642119703.db2.gz SPRNPKXMRIZXBF-JKSUJKDBSA-N 1 1 303.450 2.048 20 10 DECDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000775981678 642119706 /nfs/dbraw/zinc/11/97/06/642119706.db2.gz SPRNPKXMRIZXBF-JKSUJKDBSA-N 1 1 303.450 2.048 20 10 DECDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(N2CCOCC2)cc1 ZINC000775981678 642119708 /nfs/dbraw/zinc/11/97/08/642119708.db2.gz SPRNPKXMRIZXBF-JKSUJKDBSA-N 1 1 303.450 2.048 20 10 DECDMO C[C@H](NC(=O)NCC1=CC[N@@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000776249421 642149591 /nfs/dbraw/zinc/14/95/91/642149591.db2.gz ONJMPHZGKHMKQN-AWEZNQCLSA-N 1 1 316.449 2.375 20 10 DECDMO O=C(CCF)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000901126600 642570948 /nfs/dbraw/zinc/57/09/48/642570948.db2.gz DIPRXOSOQKIRGJ-CYBMUJFWSA-N 1 1 314.788 2.486 20 10 DECDMO Cc1cc(Br)cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1O ZINC000783738958 643045019 /nfs/dbraw/zinc/04/50/19/643045019.db2.gz DHHAHLFIGQEBTI-RISCZKNCSA-N 1 1 312.207 2.277 20 10 DECDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000902643104 643089652 /nfs/dbraw/zinc/08/96/52/643089652.db2.gz KIKCNOXCULQHBB-IRXDYDNUSA-N 1 1 304.434 2.040 20 10 DECDMO [NH3+]CC[C@H](NCc1cccc(Br)c1O)C(F)F ZINC000841074668 643206944 /nfs/dbraw/zinc/20/69/44/643206944.db2.gz PYJACEAEAVWBRO-VIFPVBQESA-N 1 1 309.154 2.227 20 10 DECDMO COc1cc(O)c(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1OC ZINC000785989168 643308172 /nfs/dbraw/zinc/30/81/72/643308172.db2.gz 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Cc1ccc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c(O)c1O ZINC000791146015 643933654 /nfs/dbraw/zinc/93/36/54/643933654.db2.gz DHSRECANHGBIMV-ZDUSSCGKSA-N 1 1 306.406 2.256 20 10 DECDMO [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000843124486 650901035 /nfs/dbraw/zinc/90/10/35/650901035.db2.gz BQCHCXIMEOTDIV-ZBFHGGJFSA-N 1 1 310.825 2.374 20 10 DECDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000794257837 644384850 /nfs/dbraw/zinc/38/48/50/644384850.db2.gz NQZXJTBMIDJYCL-XOVSCCBYSA-N 1 1 306.406 2.348 20 10 DECDMO COc1ccc(CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c(O)c1 ZINC000794378513 644405267 /nfs/dbraw/zinc/40/52/67/644405267.db2.gz WVRWDDIIKZBHSH-XQQFMLRXSA-N 1 1 306.406 2.278 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CCO[C@]3(CCCOC3)C1)CCC2 ZINC000795633668 644608882 /nfs/dbraw/zinc/60/88/82/644608882.db2.gz DVBSSEIOJZTIER-GOSISDBHSA-N 1 1 303.402 2.262 20 10 DECDMO Cc1cccc(NCCNC(=O)NCc2c(O)cccc2F)[nH+]1 ZINC000927488511 644875960 /nfs/dbraw/zinc/87/59/60/644875960.db2.gz GOTMBNQBILBYCN-UHFFFAOYSA-N 1 1 318.352 2.146 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCOC(F)F)c1 ZINC000800990550 645327302 /nfs/dbraw/zinc/32/73/02/645327302.db2.gz UQTMANPZAXDNDC-VIFPVBQESA-N 1 1 303.305 2.459 20 10 DECDMO COc1cc(Cl)cc(C[N@@H+](CC(N)=O)C2CCCC2)c1O ZINC000228595114 646633407 /nfs/dbraw/zinc/63/34/07/646633407.db2.gz DFROZMZWGHBLBZ-UHFFFAOYSA-N 1 1 312.797 2.284 20 10 DECDMO C[N@@H+]1C[C@H]2CCN(Cc3cccc(Br)c3O)[C@@H]2C1 ZINC000814173595 646858290 /nfs/dbraw/zinc/85/82/90/646858290.db2.gz NCCNKORFLSJWGD-ZWNOBZJWSA-N 1 1 311.223 2.291 20 10 DECDMO C[N@H+]1C[C@H]2CCN(Cc3cccc(Br)c3O)[C@@H]2C1 ZINC000814173595 646858297 /nfs/dbraw/zinc/85/82/97/646858297.db2.gz NCCNKORFLSJWGD-ZWNOBZJWSA-N 1 1 311.223 2.291 20 10 DECDMO Cc1cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)ccc1N(C)C ZINC000815116144 646972661 /nfs/dbraw/zinc/97/26/61/646972661.db2.gz BOEXKEOLEMJCHC-SFHVURJKSA-N 1 1 304.434 2.442 20 10 DECDMO C[C@H]([NH2+]CC1(CO)COC1)c1cccc(C(F)(F)F)c1O ZINC000815597378 647034491 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CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000817365416 647277362 /nfs/dbraw/zinc/27/73/62/647277362.db2.gz LMJTXHPVOPJKIW-CQSZACIVSA-N 1 1 306.406 2.106 20 10 DECDMO CNC(=O)[C@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000817370020 647279026 /nfs/dbraw/zinc/27/90/26/647279026.db2.gz JMBXGGPUBFGDEA-ZDUSSCGKSA-N 1 1 314.385 2.122 20 10 DECDMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000817413262 647289283 /nfs/dbraw/zinc/28/92/83/647289283.db2.gz UYLACZKACXMTTG-KRWDZBQOSA-N 1 1 301.434 2.387 20 10 DECDMO C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1C[NH2+]C1 ZINC000817887860 647371680 /nfs/dbraw/zinc/37/16/80/647371680.db2.gz GDGRSXDNYHWAJA-MJBXVCDLSA-N 1 1 321.440 2.137 20 10 DECDMO Cc1cc(Br)cc([C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1O ZINC000817977606 647398633 /nfs/dbraw/zinc/39/86/33/647398633.db2.gz LJHDNMJGWKGSHY-KMLBCRHOSA-N 1 1 311.223 2.332 20 10 DECDMO COc1cc(C[N@H+](C)CC(=O)NC2CC2)c(O)c(C(C)(C)C)c1 ZINC000732494038 647606910 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1083981164 /nfs/dbraw/zinc/98/11/64/1083981164.db2.gz FFLVWWRVBZELLG-DYVFJYSZSA-N 1 1 318.804 2.408 20 10 DECDMO CN(C)C(=O)[C@H]1CC12C[NH+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001277552307 1084034510 /nfs/dbraw/zinc/03/45/10/1084034510.db2.gz XNBPETYRQVAVBM-CQSZACIVSA-N 1 1 321.852 2.316 20 10 DECDMO [NH3+][C@@]12C[C@@H]1CCN(Cc1cc(Br)cc(F)c1O)C2 ZINC001235173417 1084336419 /nfs/dbraw/zinc/33/64/19/1084336419.db2.gz UKJICPHZAJPWPV-TVQRCGJNSA-N 1 1 315.186 2.217 20 10 DECDMO CC[C@H]1C[NH2+]CCN1Cc1cc(Br)cc(F)c1O ZINC001235772244 1084522844 /nfs/dbraw/zinc/52/28/44/1084522844.db2.gz JOEBSSIZWADNPY-NSHDSACASA-N 1 1 317.202 2.478 20 10 DECDMO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275271135 1091646886 /nfs/dbraw/zinc/64/68/86/1091646886.db2.gz JZXXGPRYEKMFJW-IYBDPMFKSA-N 1 1 323.868 2.256 20 10 DECDMO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1[O-] ZINC001275271135 1091646888 /nfs/dbraw/zinc/64/68/88/1091646888.db2.gz JZXXGPRYEKMFJW-IYBDPMFKSA-N 1 1 323.868 2.256 20 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CC[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000162526141 402423583 /nfs/dbraw/zinc/42/35/83/402423583.db2.gz MMOFJLATNZVYRV-LJQANCHMSA-N 1 1 318.509 2.431 20 10 DECDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)c1 ZINC000186602243 402446614 /nfs/dbraw/zinc/44/66/14/402446614.db2.gz DPXUTICCAXXKJB-HUUCEWRRSA-N 1 1 321.465 2.077 20 10 DECDMO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)c1 ZINC000186602201 402446708 /nfs/dbraw/zinc/44/67/08/402446708.db2.gz DPXUTICCAXXKJB-CABCVRRESA-N 1 1 321.465 2.077 20 10 DECDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1O ZINC000184700578 286223217 /nfs/dbraw/zinc/22/32/17/286223217.db2.gz OHMQEBFKYSIXGJ-SNVBAGLBSA-N 1 1 312.797 2.142 20 10 DECDMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cccc(Cl)c1[O-] ZINC000180260117 402611635 /nfs/dbraw/zinc/61/16/35/402611635.db2.gz JRIPAZJWOJWVAY-ZJUUUORDSA-N 1 1 305.827 2.299 20 10 DECDMO CCOc1ccc(O)c(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000193400296 402770739 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CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCNC1=O ZINC000281833630 403096366 /nfs/dbraw/zinc/09/63/66/403096366.db2.gz SGPOPRUQOGXWGI-QGZVFWFLSA-N 1 1 301.434 2.387 20 10 DECDMO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCNC1=O ZINC000281833627 403096569 /nfs/dbraw/zinc/09/65/69/403096569.db2.gz SGPOPRUQOGXWGI-KRWDZBQOSA-N 1 1 301.434 2.387 20 10 DECDMO COc1cc(O)c(C[NH2+]Cc2ncnn2C(C)(C)C)cc1OC ZINC000282850725 403161642 /nfs/dbraw/zinc/16/16/42/403161642.db2.gz WJZRPWOMLWFXMX-UHFFFAOYSA-N 1 1 320.393 2.046 20 10 DECDMO CCOC(=O)[C@H](CC)[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000276209021 403154283 /nfs/dbraw/zinc/15/42/83/403154283.db2.gz OXDOZVPXMMWMIF-ZDUSSCGKSA-N 1 1 321.373 2.427 20 10 DECDMO CCOC(=O)[C@H](CC)[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000276209021 403154285 /nfs/dbraw/zinc/15/42/85/403154285.db2.gz OXDOZVPXMMWMIF-ZDUSSCGKSA-N 1 1 321.373 2.427 20 10 DECDMO CCCC[N@@H+](CC(=O)NCCCOC)Cc1ccccc1O ZINC000282566028 403156440 /nfs/dbraw/zinc/15/64/40/403156440.db2.gz YZCMTFBORJBIDF-UHFFFAOYSA-N 1 1 308.422 2.147 20 10 DECDMO CCOc1ccc(O)c(C[NH2+]Cc2ncnn2C(C)(C)C)c1 ZINC000282555446 403156760 /nfs/dbraw/zinc/15/67/60/403156760.db2.gz DHDZHGYBAJSSJT-UHFFFAOYSA-N 1 1 304.394 2.427 20 10 DECDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1F ZINC000271059046 403259242 /nfs/dbraw/zinc/25/92/42/403259242.db2.gz DAHJFLVDRLSZSH-MRXNPFEDSA-N 1 1 305.397 2.135 20 10 DECDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1F ZINC000271059046 403259245 /nfs/dbraw/zinc/25/92/45/403259245.db2.gz DAHJFLVDRLSZSH-MRXNPFEDSA-N 1 1 305.397 2.135 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@@]2(O)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000293775853 403561181 /nfs/dbraw/zinc/56/11/81/403561181.db2.gz YWLFPTPAXHNOKD-INIZCTEOSA-N 1 1 324.377 2.340 20 10 DECDMO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000294677607 403724649 /nfs/dbraw/zinc/72/46/49/403724649.db2.gz AYRGTGDDHBIMEU-CYBMUJFWSA-N 1 1 309.385 2.164 20 10 DECDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000294677607 403724652 /nfs/dbraw/zinc/72/46/52/403724652.db2.gz AYRGTGDDHBIMEU-CYBMUJFWSA-N 1 1 309.385 2.164 20 10 DECDMO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000294677609 403725013 /nfs/dbraw/zinc/72/50/13/403725013.db2.gz AYRGTGDDHBIMEU-ZDUSSCGKSA-N 1 1 309.385 2.164 20 10 DECDMO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000294677609 403725020 /nfs/dbraw/zinc/72/50/20/403725020.db2.gz AYRGTGDDHBIMEU-ZDUSSCGKSA-N 1 1 309.385 2.164 20 10 DECDMO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c(O)c1O ZINC000361743241 403836975 /nfs/dbraw/zinc/83/69/75/403836975.db2.gz IOHOGHQNCNPLEL-OAHLLOKOSA-N 1 1 312.369 2.323 20 10 DECDMO Cc1ccc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c(O)c1O ZINC000361743241 403836982 /nfs/dbraw/zinc/83/69/82/403836982.db2.gz IOHOGHQNCNPLEL-OAHLLOKOSA-N 1 1 312.369 2.323 20 10 DECDMO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccc(F)cc1O ZINC000320533575 404067386 /nfs/dbraw/zinc/06/73/86/404067386.db2.gz JEXCKVXSSZWBLM-XHDPSFHLSA-N 1 1 319.380 2.448 20 10 DECDMO COc1c(O)c(C[N@@H+]2CCC[C@@]2(C)CCCO)ccc1[N+](=O)[O-] ZINC000290370428 404142250 /nfs/dbraw/zinc/14/22/50/404142250.db2.gz HJQBPSJVBFATJC-INIZCTEOSA-N 1 1 324.377 2.436 20 10 DECDMO COc1c(O)c(C[N@H+]2CCC[C@@]2(C)CCCO)ccc1[N+](=O)[O-] ZINC000290370428 404142256 /nfs/dbraw/zinc/14/22/56/404142256.db2.gz HJQBPSJVBFATJC-INIZCTEOSA-N 1 1 324.377 2.436 20 10 DECDMO CCN1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296500895 404278642 /nfs/dbraw/zinc/27/86/42/404278642.db2.gz LMYSQNYEVYFOFS-UHFFFAOYSA-N 1 1 317.477 2.439 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291365035 404381001 /nfs/dbraw/zinc/38/10/01/404381001.db2.gz YSRFLZWZGLBFKT-LBPRGKRZSA-N 1 1 301.333 2.240 20 10 DECDMO Cc1cc(O)c(C[NH+]2CCN([C@H]3CCC[C@@H]3O)CC2)cc1C ZINC000367461073 405056846 /nfs/dbraw/zinc/05/68/46/405056846.db2.gz PSHLJTOMVWALFE-IRXDYDNUSA-N 1 1 304.434 2.040 20 10 DECDMO Cc1cc(O)c(C[NH+]2CCN([C@H]3CCC[C@H]3O)CC2)cc1C ZINC000367461071 405057311 /nfs/dbraw/zinc/05/73/11/405057311.db2.gz PSHLJTOMVWALFE-DLBZAZTESA-N 1 1 304.434 2.040 20 10 DECDMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](COC(C)C)C2)c1 ZINC000372124423 227083946 /nfs/dbraw/zinc/08/39/46/227083946.db2.gz NSJSUOGVPAQPFP-INIZCTEOSA-N 1 1 309.406 2.417 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](COC(C)C)C2)c1 ZINC000372124423 227083949 /nfs/dbraw/zinc/08/39/49/227083949.db2.gz NSJSUOGVPAQPFP-INIZCTEOSA-N 1 1 309.406 2.417 20 10 DECDMO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000377697555 227198808 /nfs/dbraw/zinc/19/88/08/227198808.db2.gz LVVHPITWKPYFCA-WBVHZDCISA-N 1 1 307.390 2.171 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000377697555 227198811 /nfs/dbraw/zinc/19/88/11/227198811.db2.gz LVVHPITWKPYFCA-WBVHZDCISA-N 1 1 307.390 2.171 20 10 DECDMO O=C([C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1)N1CCCC1 ZINC000377860014 227203746 /nfs/dbraw/zinc/20/37/46/227203746.db2.gz KCPLVYPYPPWTLV-LBPRGKRZSA-N 1 1 308.809 2.490 20 10 DECDMO COc1ccc2c(c1)c1c(n2Cc2nc(C[NH3+])no2)CCCC1 ZINC000650228625 424966097 /nfs/dbraw/zinc/96/60/97/424966097.db2.gz CBZCWPCYNOXRKX-UHFFFAOYSA-N 1 1 312.373 2.419 20 10 DECDMO COc1cccc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000375299815 274145753 /nfs/dbraw/zinc/14/57/53/274145753.db2.gz OAOKGJSWKPGICV-LJQANCHMSA-N 1 1 324.380 2.497 20 10 DECDMO CNC(=O)[C@H]1CCCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835025943 649868076 /nfs/dbraw/zinc/86/80/76/649868076.db2.gz OPWDDOWJAMKPAJ-JTGQJZMRSA-N 1 1 301.434 2.366 20 10 DECDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](n3cncn3)C2)c1O ZINC000377283219 533952436 /nfs/dbraw/zinc/95/24/36/533952436.db2.gz NTYZUIDHYNVBOR-GFCCVEGCSA-N 1 1 308.769 2.093 20 10 DECDMO CC[N@H+](Cc1cc(OC)ccc1O)[C@H](C)CS(=O)(=O)CC ZINC000180249901 521293540 /nfs/dbraw/zinc/29/35/40/521293540.db2.gz YLRPTQOWKHEPLF-GFCCVEGCSA-N 1 1 315.435 2.046 20 10 DECDMO CC[N@@H+](Cc1cc(OC)ccc1O)[C@H](C)CS(=O)(=O)CC ZINC000180249901 521293547 /nfs/dbraw/zinc/29/35/47/521293547.db2.gz YLRPTQOWKHEPLF-GFCCVEGCSA-N 1 1 315.435 2.046 20 10 DECDMO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc3c(cc2O)OCO3)C1 ZINC000129217049 523975909 /nfs/dbraw/zinc/97/59/09/523975909.db2.gz DZWPCUPPHUKOMR-TZMCWYRMSA-N 1 1 304.390 2.037 20 10 DECDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc3c(cc2O)OCO3)C1 ZINC000129217049 523975911 /nfs/dbraw/zinc/97/59/11/523975911.db2.gz DZWPCUPPHUKOMR-TZMCWYRMSA-N 1 1 304.390 2.037 20 10 DECDMO C[C@H]1CN(Cc2cccc(Cl)c2O)CC[N@@H+]1CC(C)(C)O ZINC000188895670 524625598 /nfs/dbraw/zinc/62/55/98/524625598.db2.gz RMPBUCLJEDEFOF-LBPRGKRZSA-N 1 1 312.841 2.323 20 10 DECDMO C[C@H]1CN(Cc2cccc(Cl)c2O)CC[N@H+]1CC(C)(C)O ZINC000188895670 524625609 /nfs/dbraw/zinc/62/56/09/524625609.db2.gz RMPBUCLJEDEFOF-LBPRGKRZSA-N 1 1 312.841 2.323 20 10 DECDMO CN1CCCc2cc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)ccc21 ZINC000821625419 599422602 /nfs/dbraw/zinc/42/26/02/599422602.db2.gz NJKFEMIQXQTIOE-UHFFFAOYSA-N 1 1 324.388 2.132 20 10 DECDMO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)c1 ZINC000186587193 625402296 /nfs/dbraw/zinc/40/22/96/625402296.db2.gz LTDBVZPGKOYPDC-CVEARBPZSA-N 1 1 305.466 2.377 20 10 DECDMO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000177958761 625113082 /nfs/dbraw/zinc/11/30/82/625113082.db2.gz WEWCIKSTLMXMHJ-GFCCVEGCSA-N 1 1 304.369 2.236 20 10 DECDMO COc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1OC ZINC000892608267 625190198 /nfs/dbraw/zinc/19/01/98/625190198.db2.gz OZKUGWJNYQDELO-UONOGXRCSA-N 1 1 306.406 2.126 20 10 DECDMO COc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1OC ZINC000892608267 625190200 /nfs/dbraw/zinc/19/02/00/625190200.db2.gz OZKUGWJNYQDELO-UONOGXRCSA-N 1 1 306.406 2.126 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000840919408 625728174 /nfs/dbraw/zinc/72/81/74/625728174.db2.gz FNYSAKRONCRTNR-ROUUACIJSA-N 1 1 304.434 2.441 20 10 DECDMO Cc1cc(N(C)C)ccc1C[NH2+]CC(C)(C)N1CCN(C)CC1 ZINC000840929640 634703575 /nfs/dbraw/zinc/70/35/75/634703575.db2.gz TYBNXKSQJMMZQL-UHFFFAOYSA-N 1 1 318.509 2.177 20 10 DECDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000836238968 650069283 /nfs/dbraw/zinc/06/92/83/650069283.db2.gz VJWNOZJICCUAJL-INIZCTEOSA-N 1 1 318.465 2.378 20 10 DECDMO CC[N@@H+]1CC=C(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001001485080 635517269 /nfs/dbraw/zinc/51/72/69/635517269.db2.gz VJFYOVWIYUJVFF-UHFFFAOYSA-N 1 1 315.377 2.231 20 10 DECDMO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000922056283 635831268 /nfs/dbraw/zinc/83/12/68/635831268.db2.gz XOAZRVOJLXKINQ-ZENOOKHLSA-N 1 1 304.438 2.205 20 10 DECDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000840978825 636014517 /nfs/dbraw/zinc/01/45/17/636014517.db2.gz WLJKSKAIWRCKOS-NSHDSACASA-N 1 1 315.822 2.384 20 10 DECDMO COCCOC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894022077 636090280 /nfs/dbraw/zinc/09/02/80/636090280.db2.gz UJCSEYZMSIKJBA-UHFFFAOYSA-N 1 1 301.333 2.298 20 10 DECDMO CNC(=O)CCC[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000093717869 636284083 /nfs/dbraw/zinc/28/40/83/636284083.db2.gz BKMDXDCXQIBXFI-UHFFFAOYSA-N 1 1 315.211 2.113 20 10 DECDMO COc1cc(C)cc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)c1O ZINC000894910965 637325265 /nfs/dbraw/zinc/32/52/65/637325265.db2.gz BLOJNKCGHLITAP-NRFANRHFSA-N 1 1 311.447 2.442 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)c1O ZINC000894910965 637325267 /nfs/dbraw/zinc/32/52/67/637325267.db2.gz BLOJNKCGHLITAP-NRFANRHFSA-N 1 1 311.447 2.442 20 10 DECDMO Cc1ccc(O)c(C[N@H+]2CCc3nc[nH]c3C23CCOCC3)c1 ZINC000895070085 637483093 /nfs/dbraw/zinc/48/30/93/637483093.db2.gz BNBCJBHWMVUZRF-UHFFFAOYSA-N 1 1 313.401 2.488 20 10 DECDMO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1O ZINC000788269026 637541420 /nfs/dbraw/zinc/54/14/20/637541420.db2.gz KEBOJWKRICFRFA-CABZTGNLSA-N 1 1 300.196 2.418 20 10 DECDMO Cc1cn[nH]c1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145119 637789036 /nfs/dbraw/zinc/78/90/36/637789036.db2.gz LHIAVYVKPIKUSW-UHFFFAOYSA-N 1 1 322.359 2.123 20 10 DECDMO Cc1c[nH]nc1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145119 637789040 /nfs/dbraw/zinc/78/90/40/637789040.db2.gz LHIAVYVKPIKUSW-UHFFFAOYSA-N 1 1 322.359 2.123 20 10 DECDMO C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839499775 637897427 /nfs/dbraw/zinc/89/74/27/637897427.db2.gz TXXACQNOCGOMIQ-CABCVRRESA-N 1 1 303.450 2.489 20 10 DECDMO CCc1nnc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000895308938 637912006 /nfs/dbraw/zinc/91/20/06/637912006.db2.gz DRGODKSSROZQOC-GFCCVEGCSA-N 1 1 318.446 2.478 20 10 DECDMO COc1cc(O)c(C[NH2+]C2(c3ncccn3)CCC2)cc1OC ZINC000895621862 638117910 /nfs/dbraw/zinc/11/79/10/638117910.db2.gz BXQZVZKFLCPRST-UHFFFAOYSA-N 1 1 315.373 2.368 20 10 DECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000840948603 650393690 /nfs/dbraw/zinc/39/36/90/650393690.db2.gz VNSYETMVMWEUIQ-APWZRJJASA-N 1 1 317.477 2.356 20 10 DECDMO COC(=O)N[C@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000895849248 638231817 /nfs/dbraw/zinc/23/18/17/638231817.db2.gz VNLMZSWYFCGTEV-RGDDUWESSA-N 1 1 303.406 2.196 20 10 DECDMO CCC[NH+]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895902906 638258636 /nfs/dbraw/zinc/25/86/36/638258636.db2.gz QSCDPUSMVJSPLM-UHFFFAOYSA-N 1 1 320.414 2.480 20 10 DECDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000841044754 650412588 /nfs/dbraw/zinc/41/25/88/650412588.db2.gz YRIAXNOHSRNLNF-KRWDZBQOSA-N 1 1 314.389 2.450 20 10 DECDMO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)c(O)c1C ZINC000756554178 639674008 /nfs/dbraw/zinc/67/40/08/639674008.db2.gz NZCCUFGDFGVLBT-HOCLYGCPSA-N 1 1 305.466 2.296 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](OC)C(F)(F)F)c1 ZINC000756835641 639699764 /nfs/dbraw/zinc/69/97/64/639699764.db2.gz PYVNMIYSQJJLOL-UFBFGSQYSA-N 1 1 321.295 2.407 20 10 DECDMO C[C@H]1CC(C)(C)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839660555 639783660 /nfs/dbraw/zinc/78/36/60/639783660.db2.gz MOLSUPWSOSVXQX-AWEZNQCLSA-N 1 1 303.450 2.489 20 10 DECDMO C[C@@H]1CCC[N@H+]1CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000897474185 640453481 /nfs/dbraw/zinc/45/34/81/640453481.db2.gz NDVORKRKPCJFFP-OAHLLOKOSA-N 1 1 318.465 2.378 20 10 DECDMO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(Cl)cc1O ZINC000841753913 640748833 /nfs/dbraw/zinc/74/88/33/640748833.db2.gz XTIHLXWMOJSFDD-VIFPVBQESA-N 1 1 307.785 2.293 20 10 DECDMO C[N@H+]1CCCC[C@@H](CNC(=O)NCc2c(O)cccc2F)C1 ZINC000897561235 640801535 /nfs/dbraw/zinc/80/15/35/640801535.db2.gz AGNFPEAAOUGOKM-LBPRGKRZSA-N 1 1 309.385 2.062 20 10 DECDMO COc1cccc(O)c1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000768251131 641062550 /nfs/dbraw/zinc/06/25/50/641062550.db2.gz GVWDCJDQDOTQGU-HNNXBMFYSA-N 1 1 320.433 2.088 20 10 DECDMO COc1cccc(O)c1C[N@@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000768251131 641062555 /nfs/dbraw/zinc/06/25/55/641062555.db2.gz GVWDCJDQDOTQGU-HNNXBMFYSA-N 1 1 320.433 2.088 20 10 DECDMO COc1cccc(O)c1C[N@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000768251131 641062561 /nfs/dbraw/zinc/06/25/61/641062561.db2.gz GVWDCJDQDOTQGU-HNNXBMFYSA-N 1 1 320.433 2.088 20 10 DECDMO CCN(CC)c1ccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)cc1 ZINC000769329692 641219368 /nfs/dbraw/zinc/21/93/68/641219368.db2.gz 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Cc1nc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)[nH]c1C ZINC000850069492 651818852 /nfs/dbraw/zinc/81/88/52/651818852.db2.gz OAUJPDBOORTRLZ-UHFFFAOYSA-N 1 1 300.406 2.153 20 10 DECDMO Cc1c[nH]c(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000850078273 651821824 /nfs/dbraw/zinc/82/18/24/651821824.db2.gz VNRYYEGJVDHBLC-AWEZNQCLSA-N 1 1 300.406 2.406 20 10 DECDMO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ncc[nH]1 ZINC000850567459 651953492 /nfs/dbraw/zinc/95/34/92/651953492.db2.gz CPGUSBXEWKHSLS-CYBMUJFWSA-N 1 1 300.406 2.222 20 10 DECDMO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1nccn1C ZINC000850565436 651954085 /nfs/dbraw/zinc/95/40/85/651954085.db2.gz DWKFTDMIQQAPEC-CQSZACIVSA-N 1 1 314.433 2.232 20 10 DECDMO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000115821877 652245530 /nfs/dbraw/zinc/24/55/30/652245530.db2.gz BGXWHFMSYAWJIG-AWEZNQCLSA-N 1 1 318.465 2.343 20 10 DECDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000851900002 652275082 /nfs/dbraw/zinc/27/50/82/652275082.db2.gz 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ZINC000880584286 690933481 /nfs/dbraw/zinc/93/34/81/690933481.db2.gz HSQGPYLRVVOAKK-QGZVFWFLSA-N 1 1 304.434 2.116 20 10 DECDMO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(F)cc(F)c2O)C1(C)C ZINC000883098842 691428952 /nfs/dbraw/zinc/42/89/52/691428952.db2.gz BEVXYBQULRVBRE-CZUORRHYSA-N 1 1 315.360 2.326 20 10 DECDMO Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CCO1 ZINC000883135340 691438143 /nfs/dbraw/zinc/43/81/43/691438143.db2.gz BTDDIBQVPGJOEA-SWLSCSKDSA-N 1 1 323.343 2.414 20 10 DECDMO C[NH+]1CCN(c2ccc(CNCc3ccncc3F)cc2)CC1 ZINC000883283487 691471662 /nfs/dbraw/zinc/47/16/62/691471662.db2.gz HOSHUSAWNWYUCJ-UHFFFAOYSA-N 1 1 314.408 2.262 20 10 DECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1C[C@]12CCOC2 ZINC000885940207 691967463 /nfs/dbraw/zinc/96/74/63/691967463.db2.gz DDUNOSUXVTYPSI-HKUYNNGSSA-N 1 1 316.445 2.382 20 10 DECDMO C[C@@H]([NH2+]CCc1nnc2ccccn21)c1c(O)cccc1F ZINC000886493431 692093285 /nfs/dbraw/zinc/09/32/85/692093285.db2.gz KVFHPCYKTLELME-LLVKDONJSA-N 1 1 300.337 2.467 20 10 DECDMO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1c(O)cccc1F ZINC000886511238 692097686 /nfs/dbraw/zinc/09/76/86/692097686.db2.gz NHZOQHXYCCHNRS-RISCZKNCSA-N 1 1 319.380 2.448 20 10 DECDMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cn(C)cn1 ZINC000924710511 693175534 /nfs/dbraw/zinc/17/55/34/693175534.db2.gz LXUBSBYUTJGUDQ-CYBMUJFWSA-N 1 1 318.396 2.247 20 10 DECDMO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)on1 ZINC000924750614 693180674 /nfs/dbraw/zinc/18/06/74/693180674.db2.gz GDYKMSWFOLOVEM-ZDUSSCGKSA-N 1 1 317.389 2.371 20 10 DECDMO Cc1ncc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC001334344357 1150278069 /nfs/dbraw/zinc/27/80/69/1150278069.db2.gz FAUDVQMIVUNLAG-SFHVURJKSA-N 1 1 313.449 2.244 20 10 DECDMO COc1cc(C)cc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1O ZINC001334403507 1150298221 /nfs/dbraw/zinc/29/82/21/1150298221.db2.gz WJOPUXBHZDVTDZ-HNNXBMFYSA-N 1 1 321.417 2.073 20 10 DECDMO Cc1cc(Br)cc(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)c1O ZINC001233110079 782216545 /nfs/dbraw/zinc/21/65/45/782216545.db2.gz 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/nfs/dbraw/zinc/94/39/41/790943941.db2.gz KCTRGALMPOUYEL-CQSZACIVSA-N 1 1 316.357 2.242 20 10 DECDMO Cc1cc(N2CC=C(CCNC(=O)[C@@H]3C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC001089802147 783456436 /nfs/dbraw/zinc/45/64/36/783456436.db2.gz GJQFEILJVZSTBQ-BLLLJJGKSA-N 1 1 314.433 2.392 20 10 DECDMO Cc1cc(N2CC=C(CCNC(=O)CCCF)CC2)nc(C)[nH+]1 ZINC001089850237 783503754 /nfs/dbraw/zinc/50/37/54/783503754.db2.gz QVRONTHNJXSBBS-UHFFFAOYSA-N 1 1 320.412 2.486 20 10 DECDMO CCOC(=O)[C@H]1CC[C@H]([N@@H+](CC)Cc2ccccc2O)CO1 ZINC001169411376 785183375 /nfs/dbraw/zinc/18/33/75/785183375.db2.gz SFQVMOHTXIMRPM-GOEBONIOSA-N 1 1 307.390 2.325 20 10 DECDMO CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204279541 795373186 /nfs/dbraw/zinc/37/31/86/795373186.db2.gz ASAPVBMZDUWHHJ-UHFFFAOYSA-N 1 1 306.406 2.178 20 10 DECDMO [NH3+][C@@H]1C[C@H](F)CN(Cc2cc(F)cc(Br)c2O)C1 ZINC001206445082 795437944 /nfs/dbraw/zinc/43/79/44/795437944.db2.gz MYOBMLFTAAHGKF-VHSXEESVSA-N 1 1 321.165 2.165 20 10 DECDMO CC(=O)Nc1ccc(C[NH2+]Cc2cc(F)c(F)cc2O)cn1 ZINC001181286596 795451162 /nfs/dbraw/zinc/45/11/62/795451162.db2.gz VCKPFFWSWPEICS-UHFFFAOYSA-N 1 1 307.300 2.314 20 10 DECDMO COCCCN1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204321120 795615212 /nfs/dbraw/zinc/61/52/12/795615212.db2.gz GWROIIWWADSCGE-UHFFFAOYSA-N 1 1 317.477 2.441 20 10 DECDMO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cccc(OCC)c1O ZINC001203603064 796156784 /nfs/dbraw/zinc/15/67/84/796156784.db2.gz IKHLREVICBDWAJ-SUMWQHHRSA-N 1 1 305.374 2.318 20 10 DECDMO CCOC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cccc(OCC)c1O ZINC001203603064 796156787 /nfs/dbraw/zinc/15/67/87/796156787.db2.gz IKHLREVICBDWAJ-SUMWQHHRSA-N 1 1 305.374 2.318 20 10 DECDMO Oc1c(F)cccc1C[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001138128744 796167900 /nfs/dbraw/zinc/16/79/00/796167900.db2.gz WVARBUQZQPTDGV-UHFFFAOYSA-N 1 1 300.324 2.447 20 10 DECDMO c1nnc2n1CC[N@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138215856 796184083 /nfs/dbraw/zinc/18/40/83/796184083.db2.gz YODOUSNVLMKOIJ-UHFFFAOYSA-N 1 1 311.433 2.327 20 10 DECDMO Cc1c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c2ccccc2n1C ZINC001138257130 796188569 /nfs/dbraw/zinc/18/85/69/796188569.db2.gz XLZBQPUICNKXAC-MRXNPFEDSA-N 1 1 313.445 2.393 20 10 DECDMO C[C@@]1(CO)CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C1 ZINC001138338939 796200565 /nfs/dbraw/zinc/20/05/65/796200565.db2.gz WOWYKTVUKQHSOE-LJQANCHMSA-N 1 1 316.445 2.295 20 10 DECDMO CC(C)C(=O)N1CC[NH+](Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138359742 796205319 /nfs/dbraw/zinc/20/53/19/796205319.db2.gz YHNPRZWDWNFXEK-UHFFFAOYSA-N 1 1 315.461 2.369 20 10 DECDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1O ZINC001138495510 796227453 /nfs/dbraw/zinc/22/74/53/796227453.db2.gz KKMLQYCSPOXIBL-MAUKXSAKSA-N 1 1 304.434 2.116 20 10 DECDMO CC(C)[N@H+]1CCN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC001138500227 796228956 /nfs/dbraw/zinc/22/89/56/796228956.db2.gz ULVGEFMGVIDCRZ-KRWDZBQOSA-N 1 1 317.477 2.438 20 10 DECDMO CC(C)N1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC001138500227 796228961 /nfs/dbraw/zinc/22/89/61/796228961.db2.gz ULVGEFMGVIDCRZ-KRWDZBQOSA-N 1 1 317.477 2.438 20 10 DECDMO CC(C)N1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC001138500227 796228963 /nfs/dbraw/zinc/22/89/63/796228963.db2.gz ULVGEFMGVIDCRZ-KRWDZBQOSA-N 1 1 317.477 2.438 20 10 DECDMO COC[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139404518 796371285 /nfs/dbraw/zinc/37/12/85/796371285.db2.gz LYWNLWROAHHPRS-SFHVURJKSA-N 1 1 303.450 2.049 20 10 DECDMO COC[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139404518 796371290 /nfs/dbraw/zinc/37/12/90/796371290.db2.gz LYWNLWROAHHPRS-SFHVURJKSA-N 1 1 303.450 2.049 20 10 DECDMO COC[C@@H]1CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139404518 796371294 /nfs/dbraw/zinc/37/12/94/796371294.db2.gz LYWNLWROAHHPRS-SFHVURJKSA-N 1 1 303.450 2.049 20 10 DECDMO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1=O ZINC001139404732 796371560 /nfs/dbraw/zinc/37/15/60/796371560.db2.gz YECCGKWVPBRYJY-MRXNPFEDSA-N 1 1 315.461 2.239 20 10 DECDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c1O ZINC001140184741 796487607 /nfs/dbraw/zinc/48/76/07/796487607.db2.gz GKTRVRMPDPBRCG-OAHLLOKOSA-N 1 1 302.418 2.500 20 10 DECDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@]1(C)O ZINC001140282696 796501794 /nfs/dbraw/zinc/50/17/94/796501794.db2.gz HQZSTLRKSAOORC-DNVCBOLYSA-N 1 1 318.461 2.241 20 10 DECDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@]4(CCO4)C3)cc2)CC1 ZINC001140285980 796501864 /nfs/dbraw/zinc/50/18/64/796501864.db2.gz WTQYGVPJPIJNIV-IBGZPJMESA-N 1 1 316.445 2.403 20 10 DECDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1CO ZINC001140282529 796501973 /nfs/dbraw/zinc/50/19/73/796501973.db2.gz CPBOQJNOQOFAFD-HNAYVOBHSA-N 1 1 318.461 2.241 20 10 DECDMO O=C1[C@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@H]2CN1CC1CC1 ZINC001140466312 796525642 /nfs/dbraw/zinc/52/56/42/796525642.db2.gz BDFLZKVYVVCGBB-ZFWWWQNUSA-N 1 1 320.820 2.346 20 10 DECDMO CN1C(=O)CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CC[C@@H]21 ZINC001203665260 796555940 /nfs/dbraw/zinc/55/59/40/796555940.db2.gz FEUNZBNJZTVMPO-FZMZJTMJSA-N 1 1 308.809 2.488 20 10 DECDMO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N(CC)CC)cc1O ZINC001140855891 796584387 /nfs/dbraw/zinc/58/43/87/796584387.db2.gz DMOZZBKHURHBJV-INIZCTEOSA-N 1 1 319.449 2.339 20 10 DECDMO CCN(CC)c1ccc(C[N@H+]2CCC3(CN(C)C3)C2)c(O)c1 ZINC001140857750 796584786 /nfs/dbraw/zinc/58/47/86/796584786.db2.gz YUMHTGXCYIDWGR-UHFFFAOYSA-N 1 1 303.450 2.376 20 10 DECDMO CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(O)ccc3O)CC[C@@H]21 ZINC001141159848 796642096 /nfs/dbraw/zinc/64/20/96/796642096.db2.gz LCITVEFPZKXBML-BBRMVZONSA-N 1 1 318.417 2.177 20 10 DECDMO Oc1ccc(O)c(C[N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c1 ZINC001141156458 796642283 /nfs/dbraw/zinc/64/22/83/796642283.db2.gz LAJZBBJINRESEM-ZDUSSCGKSA-N 1 1 305.296 2.377 20 10 DECDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@@]3(CCNC3=O)C2)c1O ZINC001143104706 796802186 /nfs/dbraw/zinc/80/21/86/796802186.db2.gz XWOXXJJFSDKAFV-SFHVURJKSA-N 1 1 302.418 2.402 20 10 DECDMO C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000883103869 799243513 /nfs/dbraw/zinc/24/35/13/799243513.db2.gz HZFVKRCZTPWJOS-LBPRGKRZSA-N 1 1 314.376 2.261 20 10 DECDMO C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000883103869 799243517 /nfs/dbraw/zinc/24/35/17/799243517.db2.gz HZFVKRCZTPWJOS-LBPRGKRZSA-N 1 1 314.376 2.261 20 10 DECDMO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C(C)(C)C(=O)OC ZINC000933189008 800036352 /nfs/dbraw/zinc/03/63/52/800036352.db2.gz WHABPRMBDXQCTA-UHFFFAOYSA-N 1 1 320.433 2.297 20 10 DECDMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C(C)(C)C(=O)OC ZINC000933189008 800036360 /nfs/dbraw/zinc/03/63/60/800036360.db2.gz WHABPRMBDXQCTA-UHFFFAOYSA-N 1 1 320.433 2.297 20 10 DECDMO O=C1N(c2cccnc2)CC[C@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001203552055 800078544 /nfs/dbraw/zinc/07/85/44/800078544.db2.gz YPYMIGVHZDOTHM-IBGZPJMESA-N 1 1 323.396 2.416 20 10 DECDMO COc1cccc(C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)c1O ZINC001203593002 800086506 /nfs/dbraw/zinc/08/65/06/800086506.db2.gz 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COC(=O)c1c(C[NH+]2CC3(C2)CCOC3)c2ccccc2n1C ZINC001232403584 801872212 /nfs/dbraw/zinc/87/22/12/801872212.db2.gz ZKWFTJORFHFQTL-UHFFFAOYSA-N 1 1 314.385 2.187 20 10 DECDMO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232840659 801970088 /nfs/dbraw/zinc/97/00/88/801970088.db2.gz FPXYRRBDNIVZLF-BJJXKVORSA-N 1 1 318.417 2.232 20 10 DECDMO COc1cc2c(cn1)CC[N@@H+](Cc1ccc(N(C)C)cc1O)C2 ZINC001232841838 801970731 /nfs/dbraw/zinc/97/07/31/801970731.db2.gz UHLVQRIZMLUSHX-UHFFFAOYSA-N 1 1 313.401 2.420 20 10 DECDMO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232841554 801971017 /nfs/dbraw/zinc/97/10/17/801971017.db2.gz JPPORSSPAHATFQ-OAHLLOKOSA-N 1 1 319.449 2.195 20 10 DECDMO C[N@@H+](CCCC(=O)c1cccnc1)Cc1cc(O)c(O)c(O)c1 ZINC001233014108 802003151 /nfs/dbraw/zinc/00/31/51/802003151.db2.gz ZKRQFKKFACHLCW-UHFFFAOYSA-N 1 1 316.357 2.293 20 10 DECDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2CO)cc1Br ZINC001233138134 802034902 /nfs/dbraw/zinc/03/49/02/802034902.db2.gz 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DECDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001621447573 1078174648 /nfs/dbraw/zinc/17/46/48/1078174648.db2.gz ZYZNFJQHEIBWDU-NSHDSACASA-N 1 1 310.344 2.115 20 10 DECDMO C[C@@H]1[C@H](C)NC[C@H](C)[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001576881354 1066710992 /nfs/dbraw/zinc/71/09/92/1066710992.db2.gz KRIWUHYGNXPLIV-HRCADAONSA-N 1 1 317.477 2.218 20 10 DECDMO C[C@@H]1[C@H](C)NC[C@H](C)[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001576881354 1066711000 /nfs/dbraw/zinc/71/10/00/1066711000.db2.gz KRIWUHYGNXPLIV-HRCADAONSA-N 1 1 317.477 2.218 20 10 DECDMO COc1cccc(CNC(=O)[C@H]2CCC[N@H+](C(C)C)C2)c1O ZINC001636061479 1078467088 /nfs/dbraw/zinc/46/70/88/1078467088.db2.gz OIAHSXAJIAGXGD-AWEZNQCLSA-N 1 1 306.406 2.137 20 10 DECDMO [NH3+][C@H]1CCN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708088760 1078623070 /nfs/dbraw/zinc/62/30/70/1078623070.db2.gz JINNTXTUAUNFJG-VIFPVBQESA-N 1 1 305.603 2.341 20 10 DECDMO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3ccc(N(C)C)cc3)C[N@H+]2C1 ZINC001520742176 1069174609 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CCc1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)on1 ZINC001657278851 1080168320 /nfs/dbraw/zinc/16/83/20/1080168320.db2.gz CPGUJGSKMQWZRV-UHFFFAOYSA-N 1 1 301.390 2.363 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)c(O)c1 ZINC001657445179 1080174615 /nfs/dbraw/zinc/17/46/15/1080174615.db2.gz XGDFMPNSTOSFPQ-CYBMUJFWSA-N 1 1 318.417 2.200 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c(O)c1 ZINC001658912023 1080221415 /nfs/dbraw/zinc/22/14/15/1080221415.db2.gz YUGQFMVATFZSEE-ZBFHGGJFSA-N 1 1 309.431 2.416 20 10 DECDMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C(C)C)ccc3O)C[C@@H]2C1 ZINC001660582935 1080361726 /nfs/dbraw/zinc/36/17/26/1080361726.db2.gz HFENYDPDKOTUAX-CALCHBBNSA-N 1 1 302.418 2.426 20 10 DECDMO C[N@@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)CCC1CC1 ZINC001266365092 1082001607 /nfs/dbraw/zinc/00/16/07/1082001607.db2.gz MQHPOCZDMQFERJ-UHFFFAOYSA-N 1 1 317.393 2.311 20 10 DECDMO Oc1cc(O)c(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)cc1O ZINC001276516401 1083477903 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CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@@H](C)OC ZINC000291264129 404379545 /nfs/dbraw/zinc/37/95/45/404379545.db2.gz OWZILMONUBOORO-OAHLLOKOSA-N 1 1 321.465 2.068 20 10 DECDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCN1C ZINC000266145923 225337357 /nfs/dbraw/zinc/33/73/57/225337357.db2.gz IWIGJSKJOYBDGF-RDJZCZTQSA-N 1 1 303.450 2.096 20 10 DECDMO CCOc1cccc(CNc2c[nH+]ccc2-n2ccnn2)c1O ZINC000367967241 528657467 /nfs/dbraw/zinc/65/74/67/528657467.db2.gz CZUVBFHLMWXTDD-UHFFFAOYSA-N 1 1 311.345 2.379 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000273362012 536794023 /nfs/dbraw/zinc/79/40/23/536794023.db2.gz APPXGXOIJCTJCL-LNSITVRQSA-N 1 1 307.390 2.381 20 10 DECDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)c1 ZINC000189147272 625464804 /nfs/dbraw/zinc/46/48/04/625464804.db2.gz VIOXZDRBTFBFMG-ZJUUUORDSA-N 1 1 303.366 2.134 20 10 DECDMO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ncc[nH]1 ZINC000286123991 622624389 /nfs/dbraw/zinc/62/43/89/622624389.db2.gz OFHWKODRFQZRCI-GFCCVEGCSA-N 1 1 318.396 2.361 20 10 DECDMO COc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(O)c1OC ZINC000892226354 624856024 /nfs/dbraw/zinc/85/60/24/624856024.db2.gz GKDRMXIRSXFLSF-HIFRSBDPSA-N 1 1 320.433 2.326 20 10 DECDMO COc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(O)c1OC ZINC000892226354 624856025 /nfs/dbraw/zinc/85/60/25/624856025.db2.gz GKDRMXIRSXFLSF-HIFRSBDPSA-N 1 1 320.433 2.326 20 10 DECDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000066191510 625045685 /nfs/dbraw/zinc/04/56/85/625045685.db2.gz KOLQOPIOXWIYQG-CYBMUJFWSA-N 1 1 324.444 2.421 20 10 DECDMO COc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(O)c1OC ZINC000892590936 625176612 /nfs/dbraw/zinc/17/66/12/625176612.db2.gz ZFTHCOUMLVBCNO-KGLIPLIRSA-N 1 1 306.406 2.126 20 10 DECDMO COc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(O)c1OC ZINC000892590936 625176614 /nfs/dbraw/zinc/17/66/14/625176614.db2.gz ZFTHCOUMLVBCNO-KGLIPLIRSA-N 1 1 306.406 2.126 20 10 DECDMO CCn1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)nn1 ZINC000892612852 625194305 /nfs/dbraw/zinc/19/43/05/625194305.db2.gz NUKBPRSKYSFSKI-UHFFFAOYSA-N 1 1 317.462 2.141 20 10 DECDMO Cc1cc(N(C)C)ccc1CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000840933985 634779392 /nfs/dbraw/zinc/77/93/92/634779392.db2.gz LJXWOJODEMQPEX-MSOLQXFVSA-N 1 1 303.450 2.014 20 10 DECDMO Cc1cc(N(C)C)ccc1CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000840933985 634779397 /nfs/dbraw/zinc/77/93/97/634779397.db2.gz LJXWOJODEMQPEX-MSOLQXFVSA-N 1 1 303.450 2.014 20 10 DECDMO CC(=O)OC[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000894044795 636098229 /nfs/dbraw/zinc/09/82/29/636098229.db2.gz FDNIXGDOFJPVTD-QMMMGPOBSA-N 1 1 302.168 2.196 20 10 DECDMO COc1ccc(C[N@H+]2CCOCC3(CCC3)C2)c(O)c1OC ZINC000893584124 634842863 /nfs/dbraw/zinc/84/28/63/634842863.db2.gz MTANPVKKLHUONT-UHFFFAOYSA-N 1 1 307.390 2.412 20 10 DECDMO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c(O)c1O ZINC000837160422 650169841 /nfs/dbraw/zinc/16/98/41/650169841.db2.gz SHVZWRBKQMHNNJ-OAHLLOKOSA-N 1 1 312.369 2.193 20 10 DECDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000837186559 650172396 /nfs/dbraw/zinc/17/23/96/650172396.db2.gz SXAAVICZHJOLKZ-BRLPQQTGSA-N 1 1 304.390 2.052 20 10 DECDMO CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340157 636138157 /nfs/dbraw/zinc/13/81/57/636138157.db2.gz KIVPQUTUXBIBEE-CQSZACIVSA-N 1 1 317.393 2.453 20 10 DECDMO COc1ccc(C[NH2+]C[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)cc1C ZINC000922409212 636161240 /nfs/dbraw/zinc/16/12/40/636161240.db2.gz MDXKMQOIADHEHI-HOCLYGCPSA-N 1 1 316.405 2.298 20 10 DECDMO CN1CCN(c2ccc(C[NH2+]C[C@]3(C)CCCCO3)cc2)CC1 ZINC000922820104 636427296 /nfs/dbraw/zinc/42/72/96/636427296.db2.gz OHEXXCKXJITEPS-IBGZPJMESA-N 1 1 317.477 2.487 20 10 DECDMO CCOc1ccc(C[NH2+]Cc2noc3c2COCC3)c(O)c1 ZINC000923014551 636911907 /nfs/dbraw/zinc/91/19/07/636911907.db2.gz DEKBDHBZZYRFOZ-UHFFFAOYSA-N 1 1 304.346 2.141 20 10 DECDMO Cc1cccc(C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c1O ZINC000895001516 637364706 /nfs/dbraw/zinc/36/47/06/637364706.db2.gz SVBLJBQVJUJZQH-IBGZPJMESA-N 1 1 310.397 2.330 20 10 DECDMO COc1ccc(O)c(CNC(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000838473793 637580693 /nfs/dbraw/zinc/58/06/93/637580693.db2.gz CBPOSEMUZUZSSV-UHFFFAOYSA-N 1 1 321.421 2.074 20 10 DECDMO CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)cc2)CC1 ZINC000839190778 637815197 /nfs/dbraw/zinc/81/51/97/637815197.db2.gz BHKROCCJIWTQNJ-IRXDYDNUSA-N 1 1 303.475 2.128 20 10 DECDMO CN1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@H]3CS4)cc2)CC1 ZINC000839190778 637815205 /nfs/dbraw/zinc/81/52/05/637815205.db2.gz BHKROCCJIWTQNJ-IRXDYDNUSA-N 1 1 303.475 2.128 20 10 DECDMO CC[N@H+](Cc1ccc(N(C)C)cc1C)[C@@H](C)CS(C)(=O)=O ZINC000840915182 650379728 /nfs/dbraw/zinc/37/97/28/650379728.db2.gz LZEGKDSHOVKALP-AWEZNQCLSA-N 1 1 312.479 2.316 20 10 DECDMO CC[N@@H+](Cc1ccc(N(C)C)cc1C)[C@@H](C)CS(C)(=O)=O ZINC000840915182 650379729 /nfs/dbraw/zinc/37/97/29/650379729.db2.gz LZEGKDSHOVKALP-AWEZNQCLSA-N 1 1 312.479 2.316 20 10 DECDMO CCc1cccc(C[N@@H+]2CCc3nc(COC)ncc3C2)c1O ZINC000895417318 638011997 /nfs/dbraw/zinc/01/19/97/638011997.db2.gz XNEBUFHQHMGAOR-UHFFFAOYSA-N 1 1 313.401 2.449 20 10 DECDMO CCc1cccc(C[N@H+]2CCc3nc(COC)ncc3C2)c1O ZINC000895417318 638012000 /nfs/dbraw/zinc/01/20/00/638012000.db2.gz XNEBUFHQHMGAOR-UHFFFAOYSA-N 1 1 313.401 2.449 20 10 DECDMO C[N@H+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1(C)C ZINC000895564444 638085162 /nfs/dbraw/zinc/08/51/62/638085162.db2.gz FXMPQMJFIRHOLG-UHFFFAOYSA-N 1 1 321.440 2.188 20 10 DECDMO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)[C@H](C)O1 ZINC000840963435 650395745 /nfs/dbraw/zinc/39/57/45/650395745.db2.gz KUTDNMCSETVDIF-RYRKJORJSA-N 1 1 317.477 2.342 20 10 DECDMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@H](O)C(C)C ZINC000840967585 650396282 /nfs/dbraw/zinc/39/62/82/650396282.db2.gz IBPRFIONANZTTP-RTBURBONSA-N 1 1 319.493 2.324 20 10 DECDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](O)C(C)C ZINC000840968087 650396816 /nfs/dbraw/zinc/39/68/16/650396816.db2.gz NMESVMPPTPWMIP-WCQYABFASA-N 1 1 312.366 2.194 20 10 DECDMO COC1([C@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCC1 ZINC000840969280 650397059 /nfs/dbraw/zinc/39/70/59/650397059.db2.gz DNBWRAQIIPYFFU-INIZCTEOSA-N 1 1 317.477 2.486 20 10 DECDMO CCOc1ccc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c(O)c1 ZINC000840977929 650398632 /nfs/dbraw/zinc/39/86/32/650398632.db2.gz YQIVLGAPAWGBLI-CQSZACIVSA-N 1 1 306.406 2.280 20 10 DECDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000840978596 650398791 /nfs/dbraw/zinc/39/87/91/650398791.db2.gz ONUFSIWPYKASNB-ZBFHGGJFSA-N 1 1 322.424 2.255 20 10 DECDMO CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CSC[C@@H]4C3)cc2)CC1 ZINC000895779148 638194231 /nfs/dbraw/zinc/19/42/31/638194231.db2.gz LPUZNPVSKPVGLO-CALCHBBNSA-N 1 1 317.502 2.233 20 10 DECDMO CN1CCN(c2ccc(C[N@H+]3C[C@@H]4CSC[C@@H]4C3)cc2)CC1 ZINC000895779148 638194234 /nfs/dbraw/zinc/19/42/34/638194234.db2.gz LPUZNPVSKPVGLO-CALCHBBNSA-N 1 1 317.502 2.233 20 10 DECDMO Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000745827198 638293316 /nfs/dbraw/zinc/29/33/16/638293316.db2.gz DUSXYYKBSDDWOH-ZBFHGGJFSA-N 1 1 318.465 2.343 20 10 DECDMO CN(C)c1ncc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)s1 ZINC000841041206 650411690 /nfs/dbraw/zinc/41/16/90/650411690.db2.gz BXFJLEJQXKNFFU-HNNXBMFYSA-N 1 1 319.478 2.065 20 10 DECDMO [NH3+]C1(CNCc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000841039355 650412041 /nfs/dbraw/zinc/41/20/41/650412041.db2.gz LUPAFTQLYAPFOK-UHFFFAOYSA-N 1 1 303.450 2.274 20 10 DECDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897287647 639368990 /nfs/dbraw/zinc/36/89/90/639368990.db2.gz FCHAHODIGPMFQW-NXEZZACHSA-N 1 1 320.414 2.477 20 10 DECDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897287647 639368992 /nfs/dbraw/zinc/36/89/92/639368992.db2.gz FCHAHODIGPMFQW-NXEZZACHSA-N 1 1 320.414 2.477 20 10 DECDMO C[C@@H]1C[C@@H]([NH2+]CCCN2CCN(C)CC2)c2c1c(F)ccc2O ZINC000756360395 639653858 /nfs/dbraw/zinc/65/38/58/639653858.db2.gz SQVHEBXCOKXHSR-UKRRQHHQSA-N 1 1 321.440 2.307 20 10 DECDMO C[C@H]1C[C@H]([NH2+]CCCN2CCN(C)CC2)c2c1c(F)ccc2O ZINC000756360396 639654015 /nfs/dbraw/zinc/65/40/15/639654015.db2.gz SQVHEBXCOKXHSR-ZFWWWQNUSA-N 1 1 321.440 2.307 20 10 DECDMO C[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)N1CCN(C)CC1 ZINC000756544566 639670970 /nfs/dbraw/zinc/67/09/70/639670970.db2.gz KFLBHDIITGJFMW-NFAWXSAZSA-N 1 1 321.440 2.305 20 10 DECDMO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1cc(F)cc(F)c1O ZINC000756757917 639691937 /nfs/dbraw/zinc/69/19/37/639691937.db2.gz DAEWIZIOIOUYRJ-SNVBAGLBSA-N 1 1 301.333 2.110 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(OC)CCOCC2)c1 ZINC000756763057 639692571 /nfs/dbraw/zinc/69/25/71/639692571.db2.gz XRSZWJQYNBTXPS-LBPRGKRZSA-N 1 1 323.389 2.025 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](OC)C(F)(F)F)c1 ZINC000756835638 639699813 /nfs/dbraw/zinc/69/98/13/639699813.db2.gz PYVNMIYSQJJLOL-PELKAZGASA-N 1 1 321.295 2.407 20 10 DECDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)ccc1N1CCCCC1 ZINC000839665562 639784974 /nfs/dbraw/zinc/78/49/74/639784974.db2.gz ICGNQKYOUJBRBK-MJGOQNOKSA-N 1 1 318.461 2.160 20 10 DECDMO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc(F)cc(F)c1O ZINC000757655600 639865296 /nfs/dbraw/zinc/86/52/96/639865296.db2.gz OXRXIDWLPDUPDB-MWLCHTKSSA-N 1 1 319.373 2.288 20 10 DECDMO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1(O)CCC1 ZINC000761220182 640286759 /nfs/dbraw/zinc/28/67/59/640286759.db2.gz VPWRQSYEJIIHIH-UHFFFAOYSA-N 1 1 308.397 2.009 20 10 DECDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000841892204 650595392 /nfs/dbraw/zinc/59/53/92/650595392.db2.gz VBQIXCQXDUAGKJ-SDKBWNRFSA-N 1 1 317.477 2.153 20 10 DECDMO C[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)[C@H](C)CN1CCO ZINC000841892204 650595394 /nfs/dbraw/zinc/59/53/94/650595394.db2.gz VBQIXCQXDUAGKJ-SDKBWNRFSA-N 1 1 317.477 2.153 20 10 DECDMO C[C@@H]1C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)[C@H](C)CN1CCO ZINC000841892204 650595396 /nfs/dbraw/zinc/59/53/96/650595396.db2.gz VBQIXCQXDUAGKJ-SDKBWNRFSA-N 1 1 317.477 2.153 20 10 DECDMO 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CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(F)cc(F)c2O)C1(C)C ZINC000883098841 691428821 /nfs/dbraw/zinc/42/88/21/691428821.db2.gz BEVXYBQULRVBRE-CJNGLKHVSA-N 1 1 315.360 2.326 20 10 DECDMO CC[N@H+]1CC[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000883517329 691529693 /nfs/dbraw/zinc/52/96/93/691529693.db2.gz UZANYDPWPNZXBQ-NSHDSACASA-N 1 1 314.480 2.019 20 10 DECDMO CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)CC1 ZINC001052527102 693559415 /nfs/dbraw/zinc/55/94/15/693559415.db2.gz RMLTXAABBOARNJ-CQSZACIVSA-N 1 1 321.421 2.093 20 10 DECDMO CCOC(=O)c1c(C[N@H+](CC)Cc2ccccc2O)cnn1C ZINC001136910199 790530003 /nfs/dbraw/zinc/53/00/03/790530003.db2.gz SRNIBOYQLMIZQF-UHFFFAOYSA-N 1 1 317.389 2.325 20 10 DECDMO CCOC(=O)c1c(C[N@@H+](CC)Cc2ccccc2O)cnn1C ZINC001136910199 790530010 /nfs/dbraw/zinc/53/00/10/790530010.db2.gz SRNIBOYQLMIZQF-UHFFFAOYSA-N 1 1 317.389 2.325 20 10 DECDMO Oc1cc(O)c(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC001144509091 790940603 /nfs/dbraw/zinc/94/06/03/790940603.db2.gz KRLKTZXTJDGZBB-AWEZNQCLSA-N 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CC[C@H]1[N@@H+](Cc2ccc(OC)cc2O)CCC[C@]12CCC(=O)N2 ZINC001203623962 800092592 /nfs/dbraw/zinc/09/25/92/800092592.db2.gz ZGCIWQQHKTUXQU-AEFFLSMTSA-N 1 1 318.417 2.424 20 10 DECDMO CCN1CC[C@@]2(C[N@@H+](Cc3ccc(OC)cc3O)C[C@@H]2C)C1=O ZINC001203622953 800092694 /nfs/dbraw/zinc/09/26/94/800092694.db2.gz GVHQVADCOYLISI-UGSOOPFHSA-N 1 1 318.417 2.091 20 10 DECDMO COc1ccc(O)c(C[N@@H+]2CCc3cnc(SC)nc3C2)c1 ZINC001203680387 800105379 /nfs/dbraw/zinc/10/53/79/800105379.db2.gz SVDYMNUCXVDTRS-UHFFFAOYSA-N 1 1 317.414 2.471 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCc3cnc(SC)nc3C2)c1 ZINC001203680387 800105383 /nfs/dbraw/zinc/10/53/83/800105383.db2.gz SVDYMNUCXVDTRS-UHFFFAOYSA-N 1 1 317.414 2.471 20 10 DECDMO CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(O)c(O)c3)CC[C@H]21 ZINC001203876339 800138864 /nfs/dbraw/zinc/13/88/64/800138864.db2.gz AIAOGYDFZGFHKR-LSDHHAIUSA-N 1 1 318.417 2.177 20 10 DECDMO CN(C)c1ccc(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c2ccccc21 ZINC001204237227 800192873 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/nfs/dbraw/zinc/52/97/50/402529750.db2.gz QATJHVCWOLPCQS-UHFFFAOYSA-N 1 1 318.446 2.378 20 10 DECDMO CCOC(=O)N1CCC[N@@H+](Cc2cccc(OCC)c2O)CC1 ZINC000179747329 402599727 /nfs/dbraw/zinc/59/97/27/402599727.db2.gz CGJCWHLTKXSZCU-UHFFFAOYSA-N 1 1 322.405 2.455 20 10 DECDMO Cc1ccc(C(=O)N2CC[N@H+](C)CC23CCCCC3)c(O)c1O ZINC000182534255 402697839 /nfs/dbraw/zinc/69/78/39/402697839.db2.gz HVOQUUYMQAERJE-UHFFFAOYSA-N 1 1 318.417 2.497 20 10 DECDMO Cn1nccc1CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000278604496 402869010 /nfs/dbraw/zinc/86/90/10/402869010.db2.gz MBJDCJKBWQOFAC-QGZVFWFLSA-N 1 1 315.417 2.349 20 10 DECDMO C[C@@H](C(=O)NCCc1ccc(N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000269152607 403124106 /nfs/dbraw/zinc/12/41/06/403124106.db2.gz VHAUQYAAWNUFRA-HNNXBMFYSA-N 1 1 311.429 2.448 20 10 DECDMO COC(=O)[C@@H](C)[N@H+](Cc1cc2c(cc1O)OCO2)C1CCC1 ZINC000276743799 403193047 /nfs/dbraw/zinc/19/30/47/403193047.db2.gz DRUKXAVXECHMNY-SNVBAGLBSA-N 1 1 307.346 2.037 20 10 DECDMO COC(=O)[C@@H](C)[N@@H+](Cc1cc2c(cc1O)OCO2)C1CCC1 ZINC000276743799 403193048 /nfs/dbraw/zinc/19/30/48/403193048.db2.gz DRUKXAVXECHMNY-SNVBAGLBSA-N 1 1 307.346 2.037 20 10 DECDMO Cc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000271059784 403259494 /nfs/dbraw/zinc/25/94/94/403259494.db2.gz DQWXOGLCEYXIRY-UHFFFAOYSA-N 1 1 311.385 2.054 20 10 DECDMO O=C1NCCC[N@H+](Cc2ccccc2O)[C@H]1Cc1ccccc1 ZINC000293687318 403538260 /nfs/dbraw/zinc/53/82/60/403538260.db2.gz QGLAUCOLGNYLSE-KRWDZBQOSA-N 1 1 310.397 2.325 20 10 DECDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)C1 ZINC000293852590 403580926 /nfs/dbraw/zinc/58/09/26/403580926.db2.gz DEAKQQYSNURJGK-MJICGBHWSA-N 1 1 316.401 2.055 20 10 DECDMO Cc1cc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)ccc1N(C)C ZINC000294427816 403719289 /nfs/dbraw/zinc/71/92/89/403719289.db2.gz DUTZSLRPSWBBOK-INIZCTEOSA-N 1 1 316.449 2.097 20 10 DECDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1O ZINC000291863616 404556347 /nfs/dbraw/zinc/55/63/47/404556347.db2.gz PKGMROMJYCMWBT-AWEZNQCLSA-N 1 1 303.337 2.377 20 10 DECDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](n3cccn3)C2)c1O ZINC000291863616 404556351 /nfs/dbraw/zinc/55/63/51/404556351.db2.gz PKGMROMJYCMWBT-AWEZNQCLSA-N 1 1 303.337 2.377 20 10 DECDMO COc1cccc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000366462589 404796062 /nfs/dbraw/zinc/79/60/62/404796062.db2.gz LSKKTNGYPMEUHS-CXAGYDPISA-N 1 1 307.390 2.171 20 10 DECDMO Cc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c(O)c1O ZINC000378556768 405000401 /nfs/dbraw/zinc/00/04/01/405000401.db2.gz BCRCWRAGGABMNQ-UHFFFAOYSA-N 1 1 304.390 2.107 20 10 DECDMO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000367806126 405160271 /nfs/dbraw/zinc/16/02/71/405160271.db2.gz YSXVTDOIJVDPNM-GFCCVEGCSA-N 1 1 307.346 2.039 20 10 DECDMO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000367806126 405160277 /nfs/dbraw/zinc/16/02/77/405160277.db2.gz YSXVTDOIJVDPNM-GFCCVEGCSA-N 1 1 307.346 2.039 20 10 DECDMO C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000377887169 227203916 /nfs/dbraw/zinc/20/39/16/227203916.db2.gz DCILECXGYDMDLE-HNNXBMFYSA-N 1 1 301.434 2.387 20 10 DECDMO C[C@@H]([N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000298732037 278303202 /nfs/dbraw/zinc/30/32/02/278303202.db2.gz VHMDDNONAJGDFM-CQSZACIVSA-N 1 1 303.450 2.489 20 10 DECDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H](C)OC)cc2F)CC1 ZINC000268892164 279374423 /nfs/dbraw/zinc/37/44/23/279374423.db2.gz PCXUSFFWGLSHEU-LSDHHAIUSA-N 1 1 323.456 2.481 20 10 DECDMO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)c1 ZINC001348900814 1151207595 /nfs/dbraw/zinc/20/75/95/1151207595.db2.gz SXFUIQUCLXMATO-FMKPAKJESA-N 1 1 302.418 2.437 20 10 DECDMO C[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)N1CCN(C)CC1 ZINC000185364047 333207688 /nfs/dbraw/zinc/20/76/88/333207688.db2.gz RUGWLUNCHDYSTD-OLZOCXBDSA-N 1 1 311.857 2.332 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC000368460748 534199457 /nfs/dbraw/zinc/19/94/57/534199457.db2.gz CBXGWULVSZQGNS-INIZCTEOSA-N 1 1 318.417 2.378 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c1 ZINC000378438194 534201425 /nfs/dbraw/zinc/20/14/25/534201425.db2.gz JBGKRYUCXAYCKO-HNNXBMFYSA-N 1 1 300.358 2.449 20 10 DECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](CC(N)=O)C2)cc1 ZINC000835029123 649868838 /nfs/dbraw/zinc/86/88/38/649868838.db2.gz QOADPIGVPHNJOR-OICCZTGUSA-N 1 1 301.434 2.353 20 10 DECDMO CN(C)c1ccc(/C=C\C[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000835027781 649868850 /nfs/dbraw/zinc/86/88/50/649868850.db2.gz OBKSJIUJAQWWAS-PLNGDYQASA-N 1 1 323.444 2.378 20 10 DECDMO CCN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000266154489 521720973 /nfs/dbraw/zinc/72/09/73/521720973.db2.gz YACVHDWKOJLPFV-LPHOPBHVSA-N 1 1 317.477 2.343 20 10 DECDMO CCN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000266154485 521721145 /nfs/dbraw/zinc/72/11/45/521721145.db2.gz YACVHDWKOJLPFV-APWZRJJASA-N 1 1 317.477 2.343 20 10 DECDMO COc1c(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000364829635 521875666 /nfs/dbraw/zinc/87/56/66/521875666.db2.gz CXIOQPWTGVKIGI-BXUZGUMPSA-N 1 1 322.361 2.310 20 10 DECDMO COc1c(O)c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000364829635 521875673 /nfs/dbraw/zinc/87/56/73/521875673.db2.gz CXIOQPWTGVKIGI-BXUZGUMPSA-N 1 1 322.361 2.310 20 10 DECDMO C[NH+]1CCN([C@@H](C(=O)Nc2ccc(N)cc2)c2ccccc2)CC1 ZINC000237229879 523916515 /nfs/dbraw/zinc/91/65/15/523916515.db2.gz UXBZAQNHOBYYKJ-GOSISDBHSA-N 1 1 324.428 2.196 20 10 DECDMO Oc1cccc(Cl)c1C[NH+]1CCN(c2cccnn2)CC1 ZINC000127974494 526363445 /nfs/dbraw/zinc/36/34/45/526363445.db2.gz CRZOUDOTIUSQEV-UHFFFAOYSA-N 1 1 304.781 2.158 20 10 DECDMO CC[C@H]([NH2+][C@@H](CC)c1ccc(F)cc1O)C(=O)N1CCOCC1 ZINC000285524891 535930841 /nfs/dbraw/zinc/93/08/41/535930841.db2.gz BHYNPEFDMWDJQZ-GJZGRUSLSA-N 1 1 324.396 2.209 20 10 DECDMO CN(C)c1ccc(/C=C/CNC2(CCO)CC[NH+](C)CC2)cc1 ZINC000835047739 649871489 /nfs/dbraw/zinc/87/14/89/649871489.db2.gz VNMKCISBOKTBHP-SNAWJCMRSA-N 1 1 317.477 2.202 20 10 DECDMO CCN1CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC1=O ZINC000835049164 649871738 /nfs/dbraw/zinc/87/17/38/649871738.db2.gz CBTFRHBMSRIDSY-ALCCZGGFSA-N 1 1 301.434 2.320 20 10 DECDMO CCN1CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)CC1=O ZINC000835049164 649871740 /nfs/dbraw/zinc/87/17/40/649871740.db2.gz CBTFRHBMSRIDSY-ALCCZGGFSA-N 1 1 301.434 2.320 20 10 DECDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001327951456 1148684375 /nfs/dbraw/zinc/68/43/75/1148684375.db2.gz HZTRORMDZHUEOD-GOSISDBHSA-N 1 1 304.434 2.118 20 10 DECDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770140 625431268 /nfs/dbraw/zinc/43/12/68/625431268.db2.gz QUPGWYZUJUXDKK-GFCCVEGCSA-N 1 1 317.393 2.311 20 10 DECDMO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)ccc1N(C)C ZINC000933541616 624484933 /nfs/dbraw/zinc/48/49/33/624484933.db2.gz QNCDOITWAYUDGJ-GOSISDBHSA-N 1 1 314.433 2.368 20 10 DECDMO Cc1cc(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)ccc1N(C)C ZINC000933541616 624484935 /nfs/dbraw/zinc/48/49/35/624484935.db2.gz QNCDOITWAYUDGJ-GOSISDBHSA-N 1 1 314.433 2.368 20 10 DECDMO COC(=O)C[N@H+](Cc1ccc(OC)c(OC)c1O)C1CCCC1 ZINC000892124825 624789526 /nfs/dbraw/zinc/78/95/26/624789526.db2.gz AUPLKZPOHHZLRC-UHFFFAOYSA-N 1 1 323.389 2.327 20 10 DECDMO COC(=O)C[N@@H+](Cc1ccc(OC)c(OC)c1O)C1CCCC1 ZINC000892124825 624789527 /nfs/dbraw/zinc/78/95/27/624789527.db2.gz AUPLKZPOHHZLRC-UHFFFAOYSA-N 1 1 323.389 2.327 20 10 DECDMO COc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(O)c1OC ZINC000892146581 624795735 /nfs/dbraw/zinc/79/57/35/624795735.db2.gz WTNGWJXIFQKZLW-GXTWGEPZSA-N 1 1 307.390 2.268 20 10 DECDMO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)N2CCN(C)CC2)c1 ZINC000314200741 625769232 /nfs/dbraw/zinc/76/92/32/625769232.db2.gz INRQESQDAHXFPQ-OAHLLOKOSA-N 1 1 305.466 2.377 20 10 DECDMO Cc1cc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(Cl)c1 ZINC000840941474 634972284 /nfs/dbraw/zinc/97/22/84/634972284.db2.gz AXSAVITXRYPEPJ-ZIBATOQPSA-N 1 1 308.809 2.440 20 10 DECDMO CC(=O)c1cc(F)cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1O ZINC000319362538 635978516 /nfs/dbraw/zinc/97/85/16/635978516.db2.gz BOGATPNCZZOODC-OCCSQVGLSA-N 1 1 306.381 2.117 20 10 DECDMO CCOc1ccc(O)c(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1 ZINC000840975376 635994901 /nfs/dbraw/zinc/99/49/01/635994901.db2.gz GPVKCLNCABVPFT-AWEZNQCLSA-N 1 1 306.406 2.280 20 10 DECDMO CC[N@@H+](CCCO)Cc1cc(Br)cc(F)c1[O-] ZINC000894053771 636100205 /nfs/dbraw/zinc/10/02/05/636100205.db2.gz IWBVIPDCJWBWIZ-UHFFFAOYSA-N 1 1 306.175 2.498 20 10 DECDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCc1c(O)cccc1F ZINC000923170484 637011941 /nfs/dbraw/zinc/01/19/41/637011941.db2.gz JYIUKXRQILDFNG-NSHDSACASA-N 1 1 309.385 2.203 20 10 DECDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)c(O)c1OC ZINC000894440842 637035518 /nfs/dbraw/zinc/03/55/18/637035518.db2.gz MIRDYQMVUKAUIG-LBPRGKRZSA-N 1 1 319.361 2.438 20 10 DECDMO COc1ccc(C[N@H+]2CCC[C@H]2c2nc(C)no2)c(O)c1OC ZINC000894440842 637035520 /nfs/dbraw/zinc/03/55/20/637035520.db2.gz MIRDYQMVUKAUIG-LBPRGKRZSA-N 1 1 319.361 2.438 20 10 DECDMO COc1ccc(C[N@H+]2CC[C@H](c3nccn3C)C2)c(O)c1OC ZINC000894483885 637065046 /nfs/dbraw/zinc/06/50/46/637065046.db2.gz PESUCFQJZPXLPV-ZDUSSCGKSA-N 1 1 317.389 2.132 20 10 DECDMO COc1cccc(CNC(=O)NCCCC[N@@H+](C)C2CC2)c1O ZINC000838732794 637641907 /nfs/dbraw/zinc/64/19/07/637641907.db2.gz KAHGKWRXOPGURB-UHFFFAOYSA-N 1 1 321.421 2.074 20 10 DECDMO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000839147413 637789280 /nfs/dbraw/zinc/78/92/80/637789280.db2.gz JJRHMMFCUDFLRD-IZAXUBKRSA-N 1 1 317.477 2.484 20 10 DECDMO COc1ccnc(C[NH2+]Cc2ccc(OC)c(OC)c2O)c1F ZINC000895380775 637984312 /nfs/dbraw/zinc/98/43/12/637984312.db2.gz NHOMUSXAQRUYGI-UHFFFAOYSA-N 1 1 322.336 2.242 20 10 DECDMO [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000895418697 638013595 /nfs/dbraw/zinc/01/35/95/638013595.db2.gz OLPLNZFCVHJBKF-HZPDHXFCSA-N 1 1 321.323 2.295 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2CNC(C)=O)c1O ZINC000895436301 638022141 /nfs/dbraw/zinc/02/21/41/638022141.db2.gz 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ZINC000896637487 638620616 /nfs/dbraw/zinc/62/06/16/638620616.db2.gz NFLMENJJFWKWLV-UHFFFAOYSA-N 1 1 310.369 2.488 20 10 DECDMO OC[C@@H]1CCC2(CCOCC2)C[N@H+]1Cc1cc(F)ccc1O ZINC000897176261 639224935 /nfs/dbraw/zinc/22/49/35/639224935.db2.gz RCQZGQWZRPPNRE-HNNXBMFYSA-N 1 1 309.381 2.285 20 10 DECDMO OC[C@H](CC1CC1)[NH2+]Cc1cccc(Br)c1O ZINC000754835876 639482449 /nfs/dbraw/zinc/48/24/49/639482449.db2.gz XJTPDNJHUFSZSQ-NSHDSACASA-N 1 1 300.196 2.405 20 10 DECDMO COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756408200 639660054 /nfs/dbraw/zinc/66/00/54/639660054.db2.gz LAMXCNAZJMEFJW-LLVKDONJSA-N 1 1 302.365 2.289 20 10 DECDMO COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756408200 639660057 /nfs/dbraw/zinc/66/00/57/639660057.db2.gz LAMXCNAZJMEFJW-LLVKDONJSA-N 1 1 302.365 2.289 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1 ZINC000756433148 639661997 /nfs/dbraw/zinc/66/19/97/639661997.db2.gz NFQSQRPQOAMSIW-XHDPSFHLSA-N 1 1 306.406 2.170 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000756547257 639672097 /nfs/dbraw/zinc/67/20/97/639672097.db2.gz XDCDAHVTAHHJCK-DGCLKSJQSA-N 1 1 304.390 2.066 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)c1 ZINC000756626920 639680212 /nfs/dbraw/zinc/68/02/12/639680212.db2.gz DVMUKJCMFMZYAP-CHWSQXEVSA-N 1 1 306.406 2.171 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1 ZINC000756762711 639693163 /nfs/dbraw/zinc/69/31/63/639693163.db2.gz YUSGPFWKXFRHIS-GXFFZTMASA-N 1 1 315.373 2.110 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)c1 ZINC000756776478 639693829 /nfs/dbraw/zinc/69/38/29/639693829.db2.gz PNNOMLZABIJXJD-WCBMZHEXSA-N 1 1 321.295 2.143 20 10 DECDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)C[C@@H]1C ZINC000761206269 640285074 /nfs/dbraw/zinc/28/50/74/640285074.db2.gz VGWZHIQBDZTJPF-CABZTGNLSA-N 1 1 313.781 2.295 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@@H](CC(C)C)OC)ccc1[N+](=O)[O-] ZINC000841888269 650594466 /nfs/dbraw/zinc/59/44/66/650594466.db2.gz GRLSBBMCMGHKBB-GFCCVEGCSA-N 1 1 312.366 2.460 20 10 DECDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000729921676 640856474 /nfs/dbraw/zinc/85/64/74/640856474.db2.gz RMJRMTXKWFOUPL-MRXNPFEDSA-N 1 1 303.450 2.441 20 10 DECDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCc2ccc(N)cc2)C[C@@H]1C ZINC000841958793 650612568 /nfs/dbraw/zinc/61/25/68/650612568.db2.gz SWBUAFMHKMFZHA-WMLDXEAASA-N 1 1 318.465 2.326 20 10 DECDMO CC[N@@H+](CCC(=O)NC)Cc1ccc(Br)cc1O ZINC000897708982 640908009 /nfs/dbraw/zinc/90/80/09/640908009.db2.gz HGZNIPDJTYSATR-UHFFFAOYSA-N 1 1 315.211 2.113 20 10 DECDMO Cn1cc([C@@]2(C[NH2+]Cc3cc(F)cc(F)c3O)CCCO2)cn1 ZINC000898050340 641000483 /nfs/dbraw/zinc/00/04/83/641000483.db2.gz SOXKHELYJQGTLT-INIZCTEOSA-N 1 1 323.343 2.199 20 10 DECDMO Cc1ccc(O)c(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)c1 ZINC000768227989 641060482 /nfs/dbraw/zinc/06/04/82/641060482.db2.gz XFDHKRKTEAKBEE-UHFFFAOYSA-N 1 1 317.433 2.424 20 10 DECDMO C[N@@H+](CCOc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768437657 641080893 /nfs/dbraw/zinc/08/08/93/641080893.db2.gz BXRDRZXRAISZAJ-KRWDZBQOSA-N 1 1 315.369 2.329 20 10 DECDMO CC(C)CO[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464130 641084704 /nfs/dbraw/zinc/08/47/04/641084704.db2.gz NMXFUGDQHCHVQS-XJKSGUPXSA-N 1 1 307.390 2.065 20 10 DECDMO COc1cccc(C[N@H+](C)CC(=O)NCc2cccs2)c1O ZINC000769427428 641238867 /nfs/dbraw/zinc/23/88/67/641238867.db2.gz KBQGGVUODBNEHV-UHFFFAOYSA-N 1 1 320.414 2.211 20 10 DECDMO COc1cccc(C[N@@H+](C)CC(=O)NCc2cccs2)c1O ZINC000769427428 641238876 /nfs/dbraw/zinc/23/88/76/641238876.db2.gz KBQGGVUODBNEHV-UHFFFAOYSA-N 1 1 320.414 2.211 20 10 DECDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cnn(C(C)(C)C)c2)cc1 ZINC000841044768 641465533 /nfs/dbraw/zinc/46/55/33/641465533.db2.gz YUDXNIAYOLPBFW-QGZVFWFLSA-N 1 1 315.465 2.494 20 10 DECDMO Cc1cc(N(C)C)ccc1CNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000771324646 641494447 /nfs/dbraw/zinc/49/44/47/641494447.db2.gz PEMHTSOSCWETIU-UHFFFAOYSA-N 1 1 318.465 2.297 20 10 DECDMO CCC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771835422 641557319 /nfs/dbraw/zinc/55/73/19/641557319.db2.gz HZHXSSDVUKNJTB-GOSISDBHSA-N 1 1 305.466 2.079 20 10 DECDMO CN1CCN(c2ccc(C[NH2+]CCOC3CCC3)cc2)CC1 ZINC000771842483 641558666 /nfs/dbraw/zinc/55/86/66/641558666.db2.gz OGRFBWGYBYEHTQ-UHFFFAOYSA-N 1 1 303.450 2.097 20 10 DECDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000771869290 641563356 /nfs/dbraw/zinc/56/33/56/641563356.db2.gz SNCSGADGHLXVDO-NVXWUHKLSA-N 1 1 303.450 2.096 20 10 DECDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000771869298 641563782 /nfs/dbraw/zinc/56/37/82/641563782.db2.gz SNCSGADGHLXVDO-WBVHZDCISA-N 1 1 303.450 2.096 20 10 DECDMO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cnccn1 ZINC000898448919 641660666 /nfs/dbraw/zinc/66/06/66/641660666.db2.gz ZEUHTGIAWWDLNY-KSSFIOAISA-N 1 1 313.449 2.496 20 10 DECDMO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000898544578 641699339 /nfs/dbraw/zinc/69/93/39/641699339.db2.gz DXGHPLSUTRJALS-GFCCVEGCSA-N 1 1 312.797 2.155 20 10 DECDMO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000898544578 641699343 /nfs/dbraw/zinc/69/93/43/641699343.db2.gz DXGHPLSUTRJALS-GFCCVEGCSA-N 1 1 312.797 2.155 20 10 DECDMO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000773372411 641765644 /nfs/dbraw/zinc/76/56/44/641765644.db2.gz SPLYEYXNINERCT-DZGCQCFKSA-N 1 1 316.449 2.350 20 10 DECDMO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000774829281 641970816 /nfs/dbraw/zinc/97/08/16/641970816.db2.gz GXSQQQMZIIULNM-IEBWSBKVSA-N 1 1 317.477 2.343 20 10 DECDMO COc1c(O)c(C[NH2+]Cc2ccccc2CO)ccc1[N+](=O)[O-] ZINC000774977847 641989573 /nfs/dbraw/zinc/98/95/73/641989573.db2.gz YJHZHNYMMFHSIU-UHFFFAOYSA-N 1 1 318.329 2.091 20 10 DECDMO COCC[C@@]1([NH2+]Cc2c(O)ccc(Cl)c2F)CCOC1 ZINC000775034913 641997530 /nfs/dbraw/zinc/99/75/30/641997530.db2.gz UKEPHKMEZSBFHB-CQSZACIVSA-N 1 1 303.761 2.470 20 10 DECDMO COc1c(O)c(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000775047340 641999239 /nfs/dbraw/zinc/99/92/39/641999239.db2.gz LOWBRBCIMSFKAA-UWVGGRQHSA-N 1 1 310.350 2.355 20 10 DECDMO COc1c(O)c(C[NH2+]C2(CO)CCCCC2)ccc1[N+](=O)[O-] ZINC000775063357 642001966 /nfs/dbraw/zinc/00/19/66/642001966.db2.gz ROXCGHOGTWCQNO-UHFFFAOYSA-N 1 1 310.350 2.094 20 10 DECDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(C)c2O)C1 ZINC000775663565 642075207 /nfs/dbraw/zinc/07/52/07/642075207.db2.gz NMKPESDRQNXYFO-GOEBONIOSA-N 1 1 320.433 2.064 20 10 DECDMO C[C@H](O)C1CC[NH+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775674475 642076617 /nfs/dbraw/zinc/07/66/17/642076617.db2.gz DCXRBKKLGVUNID-INIZCTEOSA-N 1 1 317.477 2.031 20 10 DECDMO CN1CCN(c2ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc2)CC1 ZINC000775734422 642086483 /nfs/dbraw/zinc/08/64/83/642086483.db2.gz OYMDDCSDWJACKO-GOSISDBHSA-N 1 1 319.493 2.277 20 10 DECDMO CN1CCN(c2ccc(C[N@@H+](C)[C@H](CO)C(C)(C)C)cc2)CC1 ZINC000775734422 642086491 /nfs/dbraw/zinc/08/64/91/642086491.db2.gz OYMDDCSDWJACKO-GOSISDBHSA-N 1 1 319.493 2.277 20 10 DECDMO CN1CCN(c2ccc(C[NH2+]C3CCSCC3)cc2)CC1 ZINC000776174002 642138626 /nfs/dbraw/zinc/13/86/26/642138626.db2.gz VWOCOOYYPFVZNP-UHFFFAOYSA-N 1 1 305.491 2.424 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1 ZINC000779061040 642458890 /nfs/dbraw/zinc/45/88/90/642458890.db2.gz IUMFHNVPHYZJIB-AAEUAGOBSA-N 1 1 315.373 2.041 20 10 DECDMO C[C@@H](C(=O)NCCc1ccc(N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000237515921 642666615 /nfs/dbraw/zinc/66/66/15/642666615.db2.gz SSWLICXPJUSIHG-HNNXBMFYSA-N 1 1 323.440 2.374 20 10 DECDMO C[C@@H](C(=O)NCCc1ccc(N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000237515921 642666620 /nfs/dbraw/zinc/66/66/20/642666620.db2.gz SSWLICXPJUSIHG-HNNXBMFYSA-N 1 1 323.440 2.374 20 10 DECDMO COC[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H](C)O1 ZINC000783969432 643074578 /nfs/dbraw/zinc/07/45/78/643074578.db2.gz VAHYHIPJKCAQID-JSGCOSHPSA-N 1 1 302.374 2.176 20 10 DECDMO COc1cc(C[N@H+]2CCOC[C@H]2C[C@@H]2CCOC2)c(O)cc1C ZINC000902607072 643083029 /nfs/dbraw/zinc/08/30/29/643083029.db2.gz PHECSADNGNESIQ-GOEBONIOSA-N 1 1 321.417 2.337 20 10 DECDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccc(O)c(O)c1 ZINC000788310029 643593286 /nfs/dbraw/zinc/59/32/86/643593286.db2.gz YIGXYHSUKAWBGY-CQSZACIVSA-N 1 1 306.406 2.021 20 10 DECDMO CCCN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000843052903 650878647 /nfs/dbraw/zinc/87/86/47/650878647.db2.gz OKUAZZSHGIRPJK-LJQANCHMSA-N 1 1 316.493 2.012 20 10 DECDMO C[N@H+](Cc1ccccc1O)C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000794410576 644413832 /nfs/dbraw/zinc/41/38/32/644413832.db2.gz BWEHPHXLRKXHOC-CQSZACIVSA-N 1 1 324.421 2.100 20 10 DECDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc3c(cc1O)CCC3)CCO2 ZINC000794657776 644455026 /nfs/dbraw/zinc/45/50/26/644455026.db2.gz HNFPVKWHLGQVCL-UGSOOPFHSA-N 1 1 303.402 2.261 20 10 DECDMO COc1cc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c(O)cc1C ZINC000795692878 644620347 /nfs/dbraw/zinc/62/03/47/644620347.db2.gz RJPAZOOZLKLCDB-ZBFHGGJFSA-N 1 1 320.433 2.004 20 10 DECDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1 ZINC000795693508 644620400 /nfs/dbraw/zinc/62/04/00/644620400.db2.gz SMBCOLPWRCBEFN-RDJZCZTQSA-N 1 1 304.434 2.304 20 10 DECDMO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cc(F)cc(F)c1O ZINC000797069011 644832553 /nfs/dbraw/zinc/83/25/53/644832553.db2.gz BFTLTXRKOMIYIH-IUCAKERBSA-N 1 1 319.373 2.287 20 10 DECDMO C[N@H+]1CCN(C(=O)c2cccc(O)c2O)CC12CCCCC2 ZINC000908570709 644911192 /nfs/dbraw/zinc/91/11/92/644911192.db2.gz KTVSUDSLHVJZPH-UHFFFAOYSA-N 1 1 304.390 2.188 20 10 DECDMO COc1ccc(O)c([C@H](C)NC(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000103614676 645091043 /nfs/dbraw/zinc/09/10/43/645091043.db2.gz DGXQNPCLWDDGNO-LBPRGKRZSA-N 1 1 309.410 2.101 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](c3ccccn3)C1)[C@H](O)CO2 ZINC000799158397 645135233 /nfs/dbraw/zinc/13/52/33/645135233.db2.gz KGVNKWFLMZVATO-YVEFUNNKSA-N 1 1 312.369 2.203 20 10 DECDMO C[NH+](C)CCNC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806597953 645850621 /nfs/dbraw/zinc/85/06/21/645850621.db2.gz FJUMAHFNWWWGSL-UHFFFAOYSA-N 1 1 322.261 2.225 20 10 DECDMO COc1cc(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c(O)cc1C ZINC000840108668 645975209 /nfs/dbraw/zinc/97/52/09/645975209.db2.gz WANQRQBSFYEHBB-AWEZNQCLSA-N 1 1 322.405 2.372 20 10 DECDMO C[N@@H+]1CC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807840220 645996090 /nfs/dbraw/zinc/99/60/90/645996090.db2.gz UZOQZELCQAZRFK-MRVPVSSYSA-N 1 1 303.189 2.267 20 10 DECDMO C[N@H+]1CC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000807840220 645996098 /nfs/dbraw/zinc/99/60/98/645996098.db2.gz UZOQZELCQAZRFK-MRVPVSSYSA-N 1 1 303.189 2.267 20 10 DECDMO COc1cc(C[N@H+]2CCC[C@H](CCNC(C)=O)C2)c(O)cc1C ZINC000808219439 646057893 /nfs/dbraw/zinc/05/78/93/646057893.db2.gz UNBICSGSAQSJGB-OAHLLOKOSA-N 1 1 320.433 2.447 20 10 DECDMO O=C1NCCN1CC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000808736038 646135292 /nfs/dbraw/zinc/13/52/92/646135292.db2.gz HNYBUKRMVCJUNY-UHFFFAOYSA-N 1 1 315.373 2.013 20 10 DECDMO 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ZINC000839138737 637803378 /nfs/dbraw/zinc/80/33/78/637803378.db2.gz PVTRTJXGNXNQDX-UHFFFAOYSA-N 1 1 307.413 2.240 20 10 DECDMO COc1ccc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)c(O)c1OC ZINC000895349477 637956440 /nfs/dbraw/zinc/95/64/40/637956440.db2.gz MBIIYLOKIKOQBN-CALCHBBNSA-N 1 1 307.390 2.268 20 10 DECDMO COc1c(O)c(C[N@H+](C)[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000895438809 638023424 /nfs/dbraw/zinc/02/34/24/638023424.db2.gz LSMJJHUJXQMWFR-DGCLKSJQSA-N 1 1 310.350 2.044 20 10 DECDMO COc1c(O)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000895438809 638023427 /nfs/dbraw/zinc/02/34/27/638023427.db2.gz LSMJJHUJXQMWFR-DGCLKSJQSA-N 1 1 310.350 2.044 20 10 DECDMO Cc1cc(N(C)C)ccc1C[NH2+]CCCCN1CCOCC1 ZINC000840930944 650387741 /nfs/dbraw/zinc/38/77/41/650387741.db2.gz QFGSJNFLBOQXIJ-UHFFFAOYSA-N 1 1 305.466 2.263 20 10 DECDMO C[C@@H]([NH2+]Cc1nc(Br)nn1C)c1ccccc1O ZINC000895460731 638035415 /nfs/dbraw/zinc/03/54/15/638035415.db2.gz UCSXIRVXWBCVBL-MRVPVSSYSA-N 1 1 311.183 2.134 20 10 DECDMO COCCOC[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000742376822 638065427 /nfs/dbraw/zinc/06/54/27/638065427.db2.gz IKSPFGKQVGRLPW-SNVBAGLBSA-N 1 1 318.211 2.296 20 10 DECDMO Cc1cc(N(C)C)ccc1CN1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000840938066 650390467 /nfs/dbraw/zinc/39/04/67/650390467.db2.gz CKRLYWIIKVBWAJ-MRXNPFEDSA-N 1 1 319.493 2.338 20 10 DECDMO COc1ccc(C[N@@H+](CCO)Cc2cccc(OC)c2O)cc1 ZINC000895710145 638156664 /nfs/dbraw/zinc/15/66/64/638156664.db2.gz HAUBNZJJPFQBOJ-UHFFFAOYSA-N 1 1 317.385 2.404 20 10 DECDMO C[C@@H](O)[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000840978647 650398609 /nfs/dbraw/zinc/39/86/09/650398609.db2.gz UJUMVBBXLUUCGZ-CRAIPNDOSA-N 1 1 304.434 2.259 20 10 DECDMO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000840978647 650398612 /nfs/dbraw/zinc/39/86/12/650398612.db2.gz UJUMVBBXLUUCGZ-CRAIPNDOSA-N 1 1 304.434 2.259 20 10 DECDMO COc1cc(C)cc(C[N@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)c1O ZINC000895918869 638266587 /nfs/dbraw/zinc/26/65/87/638266587.db2.gz 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C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756558050 639674380 /nfs/dbraw/zinc/67/43/80/639674380.db2.gz ZBABFVFJHITNLE-DTWKUNHWSA-N 1 1 307.221 2.272 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCNc2ccccn2)c1 ZINC000756607112 639678745 /nfs/dbraw/zinc/67/87/45/639678745.db2.gz MSHKXTPLPLILTL-GFCCVEGCSA-N 1 1 315.373 2.337 20 10 DECDMO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccc(F)cc1O ZINC000756763202 639692549 /nfs/dbraw/zinc/69/25/49/639692549.db2.gz VOJOEZVJLVOKSZ-JTQLQIEISA-N 1 1 301.383 2.007 20 10 DECDMO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)[nH]1 ZINC000839540630 639752829 /nfs/dbraw/zinc/75/28/29/639752829.db2.gz CAWMFAGUNUVZKG-OLZOCXBDSA-N 1 1 315.421 2.362 20 10 DECDMO C[C@H](CNC(=O)NCCc1ccc(N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000841692268 650541847 /nfs/dbraw/zinc/54/18/47/650541847.db2.gz FTRPTSZGCAXKPV-HUUCEWRRSA-N 1 1 318.465 2.231 20 10 DECDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761227781 640287691 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Cc1cc(Cl)cc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)c1O ZINC000775745523 642087444 /nfs/dbraw/zinc/08/74/44/642087444.db2.gz WWEDDFJEGVHUEH-ZDUSSCGKSA-N 1 1 310.781 2.381 20 10 DECDMO Cc1cc(Cl)cc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)c1O ZINC000775745523 642087449 /nfs/dbraw/zinc/08/74/49/642087449.db2.gz WWEDDFJEGVHUEH-ZDUSSCGKSA-N 1 1 310.781 2.381 20 10 DECDMO COc1ccc2c(c1)CCCN2CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000775935694 642114704 /nfs/dbraw/zinc/11/47/04/642114704.db2.gz HEPDYHBWSOOYTP-CALCHBBNSA-N 1 1 302.418 2.311 20 10 DECDMO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000900896780 642505887 /nfs/dbraw/zinc/50/58/87/642505887.db2.gz ZKOMCROMRLWYOH-HNNXBMFYSA-N 1 1 317.433 2.351 20 10 DECDMO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000900896780 642505888 /nfs/dbraw/zinc/50/58/88/642505888.db2.gz ZKOMCROMRLWYOH-HNNXBMFYSA-N 1 1 317.433 2.351 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](c3cccnc3)C1)[C@@H](O)CO2 ZINC000842625035 650785776 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Oc1cc2c(cc1CN1CCCC[C@]3(CC[NH2+]C3)C1)OCO2 ZINC000903959877 643520124 /nfs/dbraw/zinc/52/01/24/643520124.db2.gz QOJAVKNZDLACSP-QGZVFWFLSA-N 1 1 304.390 2.087 20 10 DECDMO COc1cc(Br)cc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1O ZINC000788269012 643585303 /nfs/dbraw/zinc/58/53/03/643585303.db2.gz KDTAGPYYMINZHM-GZMMTYOYSA-N 1 1 316.195 2.118 20 10 DECDMO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1cccc(C(F)(F)F)c1O ZINC000788586160 643626379 /nfs/dbraw/zinc/62/63/79/643626379.db2.gz YSIMHYIKHUGUFV-KCJUWKMLSA-N 1 1 302.296 2.340 20 10 DECDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c(F)ccc(O)c1O ZINC000789962877 643796349 /nfs/dbraw/zinc/79/63/49/643796349.db2.gz BSSPPRKXHZSRRW-TUAOUCFPSA-N 1 1 324.396 2.333 20 10 DECDMO COc1cc(O)c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000843044725 650875917 /nfs/dbraw/zinc/87/59/17/650875917.db2.gz GJNBIQWHYDLHJU-DZGCQCFKSA-N 1 1 320.433 2.373 20 10 DECDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000790456131 643854890 /nfs/dbraw/zinc/85/48/90/643854890.db2.gz SFTNXDWMOHATJP-KRWDZBQOSA-N 1 1 314.429 2.468 20 10 DECDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCOC[C@H]1CCCO1 ZINC000790964787 643914686 /nfs/dbraw/zinc/91/46/86/643914686.db2.gz KWJOLKCSAYTLOG-SNVBAGLBSA-N 1 1 303.761 2.470 20 10 DECDMO OC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C1CCOCC1 ZINC000790991321 643917539 /nfs/dbraw/zinc/91/75/39/643917539.db2.gz UYDWNTAWDHRDEO-GFCCVEGCSA-N 1 1 303.761 2.062 20 10 DECDMO O=S1(=O)CCCC[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790986844 643917543 /nfs/dbraw/zinc/91/75/43/643917543.db2.gz XGOJJMHKINIDFA-VIFPVBQESA-N 1 1 321.801 2.242 20 10 DECDMO C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1CN ZINC000843050855 650877621 /nfs/dbraw/zinc/87/76/21/650877621.db2.gz AIDWSQGBJYEVEG-YJBOKZPZSA-N 1 1 303.450 2.082 20 10 DECDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1CN ZINC000843050855 650877624 /nfs/dbraw/zinc/87/76/24/650877624.db2.gz AIDWSQGBJYEVEG-YJBOKZPZSA-N 1 1 303.450 2.082 20 10 DECDMO CC(C)(CO)[NH+]1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792167096 644081786 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CCOc1cccc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c1O ZINC000843414666 650969971 /nfs/dbraw/zinc/96/99/71/650969971.db2.gz AVGNAZVVWAVIJD-AWEZNQCLSA-N 1 1 314.389 2.267 20 10 DECDMO CN(C)c1ccc(C[NH+]2CC(C)(C(N)=O)C2)c(C(F)(F)F)c1 ZINC000843416808 650970650 /nfs/dbraw/zinc/97/06/50/650970650.db2.gz YMQWPGWOLFDQSN-UHFFFAOYSA-N 1 1 315.339 2.079 20 10 DECDMO COC(=O)C[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000808212055 646056198 /nfs/dbraw/zinc/05/61/98/646056198.db2.gz DPQFMJICZRGZHC-INIZCTEOSA-N 1 1 319.401 2.035 20 10 DECDMO COC(=O)C[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000808212055 646056202 /nfs/dbraw/zinc/05/62/02/646056202.db2.gz DPQFMJICZRGZHC-INIZCTEOSA-N 1 1 319.401 2.035 20 10 DECDMO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c1 ZINC000840147925 646152023 /nfs/dbraw/zinc/15/20/23/646152023.db2.gz VNMDCMGUWYVZHD-OAHLLOKOSA-N 1 1 305.422 2.245 20 10 DECDMO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912903845 646213550 /nfs/dbraw/zinc/21/35/50/646213550.db2.gz 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Oc1c(F)cc(F)cc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000894083444 636104586 /nfs/dbraw/zinc/10/45/86/636104586.db2.gz CWKYCVYWPVRGSV-QWHCGFSZSA-N 1 1 301.358 2.377 20 10 DECDMO COc1ccc(C[N@@H+](C)CCc2ccncc2)c(O)c1OC ZINC000893542255 634356243 /nfs/dbraw/zinc/35/62/43/634356243.db2.gz YLRJXAJKUJXFFA-UHFFFAOYSA-N 1 1 302.374 2.479 20 10 DECDMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980512371 635031896 /nfs/dbraw/zinc/03/18/96/635031896.db2.gz XTWRKXKKEOYKJK-CQSZACIVSA-N 1 1 317.393 2.404 20 10 DECDMO COc1c(O)c(C[NH2+][C@@H](C)C2(OC)CCC2)ccc1[N+](=O)[O-] ZINC000840970728 635954638 /nfs/dbraw/zinc/95/46/38/635954638.db2.gz WSKAVIFNWIXZFF-JTQLQIEISA-N 1 1 310.350 2.356 20 10 DECDMO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2c2nncn2C)c1O ZINC000894075967 636107248 /nfs/dbraw/zinc/10/72/48/636107248.db2.gz MMMINKSCPRWRRJ-CYBMUJFWSA-N 1 1 302.378 2.175 20 10 DECDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2c2nncn2C)c1O ZINC000894075967 636107249 /nfs/dbraw/zinc/10/72/49/636107249.db2.gz MMMINKSCPRWRRJ-CYBMUJFWSA-N 1 1 302.378 2.175 20 10 DECDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(O)c2O)C1 ZINC000187004973 636666019 /nfs/dbraw/zinc/66/60/19/636666019.db2.gz GZWUSUPOJIEVNU-GFCCVEGCSA-N 1 1 306.406 2.338 20 10 DECDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000894532018 637092462 /nfs/dbraw/zinc/09/24/62/637092462.db2.gz HHVDINOWEMYHNA-NOLJZWGESA-N 1 1 319.401 2.483 20 10 DECDMO COc1ccc(CNCC[N@@H+]2CCCC2(C)C)c(O)c1OC ZINC000894794853 637212157 /nfs/dbraw/zinc/21/21/57/637212157.db2.gz UNVFYDYLDHBIEP-UHFFFAOYSA-N 1 1 308.422 2.373 20 10 DECDMO COc1ccc(CNCC[N@H+]2CCCC2(C)C)c(O)c1OC ZINC000894794853 637212158 /nfs/dbraw/zinc/21/21/58/637212158.db2.gz UNVFYDYLDHBIEP-UHFFFAOYSA-N 1 1 308.422 2.373 20 10 DECDMO COc1ccc(C[NH+]2CC(C(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000894826630 637231671 /nfs/dbraw/zinc/23/16/71/637231671.db2.gz YYRZBBWEKKRSAL-UHFFFAOYSA-N 1 1 323.389 2.183 20 10 DECDMO C[C@@H]1[C@H](O)CCN1Cc1cc(Br)cc(F)c1[O-] ZINC000894917184 637329223 /nfs/dbraw/zinc/32/92/23/637329223.db2.gz KYTCYGRFVNKLNS-RDDDGLTNSA-N 1 1 304.159 2.249 20 10 DECDMO COc1cc(C)cc(C[N@@H+](CCO)C2CCSCC2)c1O ZINC000894926038 637334433 /nfs/dbraw/zinc/33/44/33/637334433.db2.gz CVDKMXWQEAJBLK-UHFFFAOYSA-N 1 1 311.447 2.399 20 10 DECDMO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(N(C)C)c(F)c3)C2)[nH]1 ZINC000895007783 637380018 /nfs/dbraw/zinc/38/00/18/637380018.db2.gz NKHUECDTEDPJFZ-CYBMUJFWSA-N 1 1 303.385 2.308 20 10 DECDMO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000895007783 637380024 /nfs/dbraw/zinc/38/00/24/637380024.db2.gz NKHUECDTEDPJFZ-CYBMUJFWSA-N 1 1 303.385 2.308 20 10 DECDMO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000895007783 637380036 /nfs/dbraw/zinc/38/00/36/637380036.db2.gz NKHUECDTEDPJFZ-CYBMUJFWSA-N 1 1 303.385 2.308 20 10 DECDMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)n[nH]1 ZINC000895007783 637380042 /nfs/dbraw/zinc/38/00/42/637380042.db2.gz NKHUECDTEDPJFZ-CYBMUJFWSA-N 1 1 303.385 2.308 20 10 DECDMO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(N(C)C)c(F)c3)C2)n[nH]1 ZINC000895007783 637380045 /nfs/dbraw/zinc/38/00/45/637380045.db2.gz NKHUECDTEDPJFZ-CYBMUJFWSA-N 1 1 303.385 2.308 20 10 DECDMO COc1ccc(CNCCC[N@H+](C)CC(C)C)c(O)c1OC ZINC000895136351 637645619 /nfs/dbraw/zinc/64/56/19/637645619.db2.gz HSMWERBMFVUHSY-UHFFFAOYSA-N 1 1 310.438 2.477 20 10 DECDMO COc1ccc(CNCCC[N@@H+](C)CC(C)C)c(O)c1OC ZINC000895136351 637645621 /nfs/dbraw/zinc/64/56/21/637645621.db2.gz HSMWERBMFVUHSY-UHFFFAOYSA-N 1 1 310.438 2.477 20 10 DECDMO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000895173043 637726774 /nfs/dbraw/zinc/72/67/74/637726774.db2.gz ZKLFQSSJMIECLM-OAHLLOKOSA-N 1 1 324.371 2.407 20 10 DECDMO CC[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(F)cc1O ZINC000840878262 650370133 /nfs/dbraw/zinc/37/01/33/650370133.db2.gz CGVVJMAYADGUHR-ZDUSSCGKSA-N 1 1 301.383 2.149 20 10 DECDMO CCOCC[NH+]1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840909443 650376358 /nfs/dbraw/zinc/37/63/58/650376358.db2.gz CAAUXKNGORPUTR-UHFFFAOYSA-N 1 1 305.466 2.215 20 10 DECDMO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895335086 637937543 /nfs/dbraw/zinc/93/75/43/637937543.db2.gz XMGIBTOAKCFHMY-LLVKDONJSA-N 1 1 312.360 2.407 20 10 DECDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895335086 637937545 /nfs/dbraw/zinc/93/75/45/637937545.db2.gz XMGIBTOAKCFHMY-LLVKDONJSA-N 1 1 312.360 2.407 20 10 DECDMO C[C@H]1C[C@H](C)[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000741054439 637937837 /nfs/dbraw/zinc/93/78/37/637937837.db2.gz OFKGVHLHRJNXKB-GJZGRUSLSA-N 1 1 303.450 2.441 20 10 DECDMO CCOc1ccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c(O)c1 ZINC000895721895 638165687 /nfs/dbraw/zinc/16/56/87/638165687.db2.gz NUUCQDONNIQLHN-HNNXBMFYSA-N 1 1 321.417 2.154 20 10 DECDMO OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000895747836 638176085 /nfs/dbraw/zinc/17/60/85/638176085.db2.gz IQEPLVYZDBZHFP-WDEREUQCSA-N 1 1 303.761 2.204 20 10 DECDMO CC(C)C[C@H](CN)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841038965 650411993 /nfs/dbraw/zinc/41/19/93/650411993.db2.gz VVITWFJFAZOWRP-OAHLLOKOSA-N 1 1 309.429 2.125 20 10 DECDMO CC1(C)C[NH2+]CC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841073065 650422073 /nfs/dbraw/zinc/42/20/73/650422073.db2.gz PKEGCQDLBNYCEO-QGZVFWFLSA-N 1 1 321.440 2.140 20 10 DECDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2C[C@H](F)CN2)c1 ZINC000841077585 650424066 /nfs/dbraw/zinc/42/40/66/650424066.db2.gz CBMIWSXKGASVKQ-QWRGUYRKSA-N 1 1 317.202 2.253 20 10 DECDMO Cc1cccc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c1O ZINC000897175568 639223688 /nfs/dbraw/zinc/22/36/88/639223688.db2.gz DZDXCILTRVQROT-INIZCTEOSA-N 1 1 305.418 2.454 20 10 DECDMO C[C@H]([NH2+]Cc1nncn1C)c1ccc(Br)cc1O ZINC000756400317 639658473 /nfs/dbraw/zinc/65/84/73/639658473.db2.gz JTIHDFDGBNETOY-QMMMGPOBSA-N 1 1 311.183 2.134 20 10 DECDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000756414950 639660561 /nfs/dbraw/zinc/66/05/61/639660561.db2.gz ALOKRDMUQVIYHR-NWANDNLSSA-N 1 1 318.417 2.456 20 10 DECDMO C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(F)cc(F)c1[O-] ZINC000756460557 639663856 /nfs/dbraw/zinc/66/38/56/639663856.db2.gz SEMVVTZGOPTIOQ-LLVKDONJSA-N 1 1 314.376 2.168 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(CC3CC3)C2)c1 ZINC000756555816 639673906 /nfs/dbraw/zinc/67/39/06/639673906.db2.gz VUESNPRDGURXKC-WFASDCNBSA-N 1 1 318.417 2.314 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCN2CCC[C@@H]2C)c1 ZINC000756618980 639679713 /nfs/dbraw/zinc/67/97/13/639679713.db2.gz VTWNUIPGTOGQFQ-QWHCGFSZSA-N 1 1 306.406 2.314 20 10 DECDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000839672498 639799612 /nfs/dbraw/zinc/79/96/12/639799612.db2.gz VCWBLCZFXHNULE-CQSZACIVSA-N 1 1 308.447 2.091 20 10 DECDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCc1ccc(N)cc1 ZINC000841795728 650566385 /nfs/dbraw/zinc/56/63/85/650566385.db2.gz WJDBIIMLYULVDC-GASCZTMLSA-N 1 1 318.465 2.373 20 10 DECDMO C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000762785684 640458766 /nfs/dbraw/zinc/45/87/66/640458766.db2.gz GMDHNHWOSPPIFV-OTYXRUKQSA-N 1 1 319.232 2.416 20 10 DECDMO C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000762785684 640458769 /nfs/dbraw/zinc/45/87/69/640458769.db2.gz GMDHNHWOSPPIFV-OTYXRUKQSA-N 1 1 319.232 2.416 20 10 DECDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCc2ccc(N)cc2)[C@H](C)C1 ZINC000841960551 650613761 /nfs/dbraw/zinc/61/37/61/650613761.db2.gz SJMVOPYPWPBMTA-PBHICJAKSA-N 1 1 318.465 2.183 20 10 DECDMO CC[N@@H+]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H](C)C1 ZINC000897735942 640925060 /nfs/dbraw/zinc/92/50/60/640925060.db2.gz YIEKFYZLBUWDHC-SNVBAGLBSA-N 1 1 320.414 2.479 20 10 DECDMO CC[N@H+]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H](C)C1 ZINC000897735942 640925062 /nfs/dbraw/zinc/92/50/62/640925062.db2.gz YIEKFYZLBUWDHC-SNVBAGLBSA-N 1 1 320.414 2.479 20 10 DECDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897999986 640989266 /nfs/dbraw/zinc/98/92/66/640989266.db2.gz JCYPGWMEYVIPLY-LLVKDONJSA-N 1 1 320.414 2.479 20 10 DECDMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)on1 ZINC000768440811 641080917 /nfs/dbraw/zinc/08/09/17/641080917.db2.gz ZFLBOBPQRJNMPJ-HIFRSBDPSA-N 1 1 316.357 2.452 20 10 DECDMO COc1cccc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)c1 ZINC000768438623 641081150 /nfs/dbraw/zinc/08/11/50/641081150.db2.gz VYYWXDLDKQRBHG-QGZVFWFLSA-N 1 1 315.369 2.459 20 10 DECDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CCN12 ZINC000769205042 641193107 /nfs/dbraw/zinc/19/31/07/641193107.db2.gz CLWOVSXICIHHKM-SFHVURJKSA-N 1 1 313.445 2.484 20 10 DECDMO Cc1ccc(CNC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)nn1 ZINC000898450950 641662134 /nfs/dbraw/zinc/66/21/34/641662134.db2.gz WHJHZUOCDDGUHC-GOSISDBHSA-N 1 1 313.449 2.244 20 10 DECDMO C[C@H](NC(=O)NCC[N@H+]1CCC(C)(C)C1)c1ccccc1O ZINC000898588150 641712915 /nfs/dbraw/zinc/71/29/15/641712915.db2.gz CXGPHPDYCCTYRZ-ZDUSSCGKSA-N 1 1 305.422 2.484 20 10 DECDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000773030060 641719388 /nfs/dbraw/zinc/71/93/88/641719388.db2.gz JRQOITKTFIKLHA-LBPRGKRZSA-N 1 1 300.410 2.315 20 10 DECDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000773741761 641818282 /nfs/dbraw/zinc/81/82/82/641818282.db2.gz XNPZFHWDJYOGGY-UPJWGTAASA-N 1 1 306.406 2.018 20 10 DECDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000773761681 641821202 /nfs/dbraw/zinc/82/12/02/641821202.db2.gz BTUJRAWLSUVGFK-TZMCWYRMSA-N 1 1 306.406 2.019 20 10 DECDMO COc1c(O)c(C[NH2+]CCc2ccc(C)nc2)ccc1[N+](=O)[O-] ZINC000775021526 641995149 /nfs/dbraw/zinc/99/51/49/641995149.db2.gz ONCSXTMREVEHIS-UHFFFAOYSA-N 1 1 317.345 2.345 20 10 DECDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CCCO1 ZINC000775040138 641998403 /nfs/dbraw/zinc/99/84/03/641998403.db2.gz QBPYGLOMOXJINR-AAEUAGOBSA-N 1 1 310.350 2.356 20 10 DECDMO Cc1cccc(C[N@@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000775713465 642083750 /nfs/dbraw/zinc/08/37/50/642083750.db2.gz USOWBSPVDQTQHF-AWEZNQCLSA-N 1 1 307.390 2.243 20 10 DECDMO Cc1cccc(C[N@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000775713465 642083756 /nfs/dbraw/zinc/08/37/56/642083756.db2.gz USOWBSPVDQTQHF-AWEZNQCLSA-N 1 1 307.390 2.243 20 10 DECDMO C[C@H](NC(=O)N1CCC[N@@H+](C)CC1)c1ccc(N(C)C)cc1 ZINC000776239781 642148592 /nfs/dbraw/zinc/14/85/92/642148592.db2.gz VFNNPUQBBYVTMC-AWEZNQCLSA-N 1 1 304.438 2.161 20 10 DECDMO C[C@@H](O)C[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000776520622 642180392 /nfs/dbraw/zinc/18/03/92/642180392.db2.gz CVKMMYPTGCBQQD-CYBMUJFWSA-N 1 1 307.394 2.398 20 10 DECDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591164 642189324 /nfs/dbraw/zinc/18/93/24/642189324.db2.gz BYQMBEXDMKASNG-MRXNPFEDSA-N 1 1 302.330 2.466 20 10 DECDMO Oc1ccccc1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000842471179 650747305 /nfs/dbraw/zinc/74/73/05/650747305.db2.gz HQWKHLQSZVRTPI-RDJZCZTQSA-N 1 1 304.434 2.373 20 10 DECDMO Cc1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)c(O)c1O ZINC000780914393 642689206 /nfs/dbraw/zinc/68/92/06/642689206.db2.gz ITUSLMCZFQGBRW-UHFFFAOYSA-N 1 1 306.406 2.401 20 10 DECDMO COC[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)C[C@@H](C)O1 ZINC000783969434 643074101 /nfs/dbraw/zinc/07/41/01/643074101.db2.gz VAHYHIPJKCAQID-OCCSQVGLSA-N 1 1 302.374 2.176 20 10 DECDMO Cc1ccc(O)c(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)c1 ZINC000787292641 643477557 /nfs/dbraw/zinc/47/75/57/643477557.db2.gz ISSJSLINEKHYAN-INIZCTEOSA-N 1 1 317.433 2.278 20 10 DECDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)[C@@H]1C ZINC000787422091 643493420 /nfs/dbraw/zinc/49/34/20/643493420.db2.gz ZHLHVPXCTNIAON-SKDRFNHKSA-N 1 1 313.781 2.438 20 10 DECDMO C[C@H]([NH2+]CCCOCCO)c1cccc(C(F)(F)F)c1O ZINC000788736357 643640402 /nfs/dbraw/zinc/64/04/02/643640402.db2.gz UPOVTNKKURKGLE-JTQLQIEISA-N 1 1 307.312 2.461 20 10 DECDMO C[C@H](CNC(=O)c1c(F)ccc(O)c1O)[N@H+]1CCC[C@H](C)C1 ZINC000790069196 643812303 /nfs/dbraw/zinc/81/23/03/643812303.db2.gz NMDWKVYRGOWGAZ-WDEREUQCSA-N 1 1 310.369 2.087 20 10 DECDMO COc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c(O)cc1C ZINC000790385885 643846033 /nfs/dbraw/zinc/84/60/33/643846033.db2.gz FHAXYKHYOKQUGA-PMUMKWKESA-N 1 1 321.417 2.478 20 10 DECDMO COc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c(O)cc1C ZINC000790385881 643846063 /nfs/dbraw/zinc/84/60/63/643846063.db2.gz FHAXYKHYOKQUGA-DEYYWGMASA-N 1 1 321.417 2.478 20 10 DECDMO C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843044965 650875804 /nfs/dbraw/zinc/87/58/04/650875804.db2.gz NXXTWBTWVBHAFA-JTQLQIEISA-N 1 1 313.785 2.385 20 10 DECDMO C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843044965 650875805 /nfs/dbraw/zinc/87/58/05/650875805.db2.gz NXXTWBTWVBHAFA-JTQLQIEISA-N 1 1 313.785 2.385 20 10 DECDMO CC(=O)N1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790946495 643911712 /nfs/dbraw/zinc/91/17/12/643911712.db2.gz CGGZMSOIQUGAGA-UHFFFAOYSA-N 1 1 300.761 2.285 20 10 DECDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCOC[C@@H]1CCCO1 ZINC000790964785 643915123 /nfs/dbraw/zinc/91/51/23/643915123.db2.gz KWJOLKCSAYTLOG-JTQLQIEISA-N 1 1 303.761 2.470 20 10 DECDMO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792165446 644082013 /nfs/dbraw/zinc/08/20/13/644082013.db2.gz QOUOCHDURRVXHJ-SECBINFHSA-N 1 1 300.761 2.415 20 10 DECDMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792165446 644082018 /nfs/dbraw/zinc/08/20/18/644082018.db2.gz QOUOCHDURRVXHJ-SECBINFHSA-N 1 1 300.761 2.415 20 10 DECDMO CCC[N@H+](Cc1cccc(C)c1O)[C@@H](COC)C(=O)OCC ZINC000792183700 644086244 /nfs/dbraw/zinc/08/62/44/644086244.db2.gz CFBCZGHZYUJFCJ-HNNXBMFYSA-N 1 1 309.406 2.491 20 10 DECDMO CCC[N@@H+](Cc1cccc(C)c1O)[C@@H](COC)C(=O)OCC ZINC000792183700 644086249 /nfs/dbraw/zinc/08/62/49/644086249.db2.gz CFBCZGHZYUJFCJ-HNNXBMFYSA-N 1 1 309.406 2.491 20 10 DECDMO CCn1nccc1C[N@@H+](CCO)Cc1cccc(Cl)c1[O-] ZINC000793304042 644231329 /nfs/dbraw/zinc/23/13/29/644231329.db2.gz JBZSIGVLAQUQFL-UHFFFAOYSA-N 1 1 309.797 2.257 20 10 DECDMO CCn1nccc1CN(CCO)Cc1cccc(Cl)c1[O-] 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COc1c(O)c(C[NH2+]CC[C@@H](O)C2CCCC2)ccc1[N+](=O)[O-] ZINC001621488271 1078175816 /nfs/dbraw/zinc/17/58/16/1078175816.db2.gz XRNFQEHLPVPWHS-CQSZACIVSA-N 1 1 324.377 2.340 20 10 DECDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)Cc1ccc(O)c(O)c1 ZINC001630218284 1078335002 /nfs/dbraw/zinc/33/50/02/1078335002.db2.gz WZMWHLZSHUJTLR-AWEZNQCLSA-N 1 1 320.433 2.411 20 10 DECDMO C[C@@H]1CN[C@@H](C)[C@@H](C)[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001576881358 1066710910 /nfs/dbraw/zinc/71/09/10/1066710910.db2.gz KRIWUHYGNXPLIV-OWCLPIDISA-N 1 1 317.477 2.218 20 10 DECDMO C[C@@H]1CN[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001576881358 1066710914 /nfs/dbraw/zinc/71/09/14/1066710914.db2.gz KRIWUHYGNXPLIV-OWCLPIDISA-N 1 1 317.477 2.218 20 10 DECDMO O=C(CC[N@H+]1CC[C@H](F)C1)NCc1cc(Cl)ccc1O ZINC001644590548 1078851123 /nfs/dbraw/zinc/85/11/23/1078851123.db2.gz DRLHJGUCWVMXIZ-LBPRGKRZSA-N 1 1 300.761 2.096 20 10 DECDMO O=C(CC[N@H+]1CC[C@@H](F)C1)NCc1cc(Cl)ccc1O ZINC001644590547 1078851350 /nfs/dbraw/zinc/85/13/50/1078851350.db2.gz DRLHJGUCWVMXIZ-GFCCVEGCSA-N 1 1 300.761 2.096 20 10 DECDMO CC[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC001645356176 1078895763 /nfs/dbraw/zinc/89/57/63/1078895763.db2.gz VUDWDEPGEPUHRS-HOCLYGCPSA-N 1 1 303.450 2.489 20 10 DECDMO Cc1cc(Br)c(O)c(C[NH2+]CC2(CO)CC2)c1 ZINC001560362540 1075138427 /nfs/dbraw/zinc/13/84/27/1075138427.db2.gz NMEQAWHUIPRQKY-UHFFFAOYSA-N 1 1 300.196 2.325 20 10 DECDMO CCCN1CCC[N@@H+](Cc2c(C)cc(OC)cc2O)CC1=O ZINC001560762738 1075145467 /nfs/dbraw/zinc/14/54/67/1075145467.db2.gz SEQPEJZOVIESAI-UHFFFAOYSA-N 1 1 306.406 2.154 20 10 DECDMO COc1c(O)c(C[NH2+][C@H](CO)CC2CCCC2)ccc1[N+](=O)[O-] ZINC001560788215 1075146481 /nfs/dbraw/zinc/14/64/81/1075146481.db2.gz NKXWKFCMBQJRCO-ZDUSSCGKSA-N 1 1 324.377 2.340 20 10 DECDMO [O-]c1c(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)ccc2ccccc21 ZINC001580885784 1076014051 /nfs/dbraw/zinc/01/40/51/1076014051.db2.gz MVXUSSVDBPMIFD-UHFFFAOYSA-N 1 1 312.413 2.500 20 10 DECDMO [O-]c1c(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)ccc2ccccc21 ZINC001580885784 1076014055 /nfs/dbraw/zinc/01/40/55/1076014055.db2.gz MVXUSSVDBPMIFD-UHFFFAOYSA-N 1 1 312.413 2.500 20 10 DECDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+]1C ZINC001587223277 1076414322 /nfs/dbraw/zinc/41/43/22/1076414322.db2.gz JGVVTRIOOKAMIO-MFKMUULPSA-N 1 1 303.366 2.062 20 10 DECDMO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(F)F ZINC001651471775 1079813723 /nfs/dbraw/zinc/81/37/23/1079813723.db2.gz GNLMBLWXPODEFL-LLVKDONJSA-N 1 1 301.356 2.321 20 10 DECDMO CN1CCN(c2ccc(C[NH2+]CCc3cscn3)cc2)CC1 ZINC001655827273 1080020566 /nfs/dbraw/zinc/02/05/66/1080020566.db2.gz SKDLMFKPPUQZEW-UHFFFAOYSA-N 1 1 316.474 2.227 20 10 DECDMO COC(=O)N1CCC(C[NH2+]Cc2cc(F)c(F)cc2O)CC1 ZINC001658046461 1080194099 /nfs/dbraw/zinc/19/40/99/1080194099.db2.gz BSRVCUALGCZRLX-UHFFFAOYSA-N 1 1 314.332 2.238 20 10 DECDMO Oc1cc(F)c(F)cc1C[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC001660694967 1080381553 /nfs/dbraw/zinc/38/15/53/1080381553.db2.gz FWZGOWNADZVEDZ-KBPBESRZSA-N 1 1 314.401 2.340 20 10 DECDMO Cc1cn(C)nc1C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001663422244 1080743935 /nfs/dbraw/zinc/74/39/35/1080743935.db2.gz HCVRMGKHGMGHHK-GOSISDBHSA-N 1 1 315.465 2.187 20 10 DECDMO Cc1ccc(C[N@H+]2CC[C@@]3(CCN(CC(F)F)C3=O)C2)c(O)c1 ZINC001272765960 1083978540 /nfs/dbraw/zinc/97/85/40/1083978540.db2.gz LWLKAJMTDVXPQK-QGZVFWFLSA-N 1 1 324.371 2.390 20 10 DECDMO OC[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@@H]1O ZINC001235002349 1084268329 /nfs/dbraw/zinc/26/83/29/1084268329.db2.gz PQHFNJMOJJZOLS-WMZOPIPTSA-N 1 1 313.397 2.234 20 10 DECDMO CC(C)CN1CC[C@]2(CC[N@@H+](Cc3ccc(O)c(O)c3)C2)C1=O ZINC001272902357 1084453366 /nfs/dbraw/zinc/45/33/66/1084453366.db2.gz CROTYVSYBVRIHK-SFHVURJKSA-N 1 1 318.417 2.178 20 10 DECDMO CCOc1ccc(N2CC[NH+](Cc3c(C)ncn3C)CC2)cc1 ZINC001235558184 1084465558 /nfs/dbraw/zinc/46/55/58/1084465558.db2.gz ZOTHYMIKIDLCMN-UHFFFAOYSA-N 1 1 314.433 2.449 20 10 DECDMO CC[C@H]1C[NH2+]CCN1Cc1c(O)cc(Br)cc1F ZINC001235771599 1084523058 /nfs/dbraw/zinc/52/30/58/1084523058.db2.gz HEBYASBTCOFJLT-JTQLQIEISA-N 1 1 317.202 2.478 20 10 DECDMO CN(C)c1ccc(CN2CCC[C@H](N3CC([NH3+])C3)C2)c(Cl)c1 ZINC001236072314 1084603312 /nfs/dbraw/zinc/60/33/12/1084603312.db2.gz GCNXPBUBSZYNMV-INIZCTEOSA-N 1 1 322.884 2.013 20 10 DECDMO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1cc(Br)cc(F)c1O ZINC001236104396 1084612413 /nfs/dbraw/zinc/61/24/13/1084612413.db2.gz ZEWCOYLEQUWOKU-RKDXNWHRSA-N 1 1 317.202 2.476 20 10 DECDMO COc1cc(CN2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c(O)cc1O ZINC001276091003 1091535793 /nfs/dbraw/zinc/53/57/93/1091535793.db2.gz HSKAPHJTXCLSFB-GOSISDBHSA-N 1 1 320.433 2.414 20 10 DECDMO CN1CCC[C@@]2(CCC[N@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001275112488 1091559886 /nfs/dbraw/zinc/55/98/86/1091559886.db2.gz GRUKUHJCHHZCSO-QGZVFWFLSA-N 1 1 306.406 2.111 20 10 DECDMO CN1CCC[C@@]2(CCC[N@@H+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001275112488 1091559897 /nfs/dbraw/zinc/55/98/97/1091559897.db2.gz GRUKUHJCHHZCSO-QGZVFWFLSA-N 1 1 306.406 2.111 20 10 DECDMO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC(C)C)c(O)c1 ZINC001276168823 1091628303 /nfs/dbraw/zinc/62/83/03/1091628303.db2.gz ISZFVOQMFUXIST-HOTGVXAUSA-N 1 1 317.433 2.467 20 10 DECDMO C[N@H+]1CCCC2(CC[NH+](Cc3ccc(C(=O)[O-])cc3O)CC2)C1 ZINC001276009415 1092502880 /nfs/dbraw/zinc/50/28/80/1092502880.db2.gz SCHYETJXJZKMAJ-UHFFFAOYSA-N 1 1 318.417 2.398 20 10 DECDMO COCCN(Cc1cc(Cl)cc(F)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236326963 1138353021 /nfs/dbraw/zinc/35/30/21/1138353021.db2.gz CVUHCRLMALSUDO-CYBMUJFWSA-N 1 1 316.804 2.385 20 10 DECDMO CCc1ccc(C[N@@H+]2CCOC[C@@H]2CCC(=O)OC)c(O)c1 ZINC001236788848 1138428074 /nfs/dbraw/zinc/42/80/74/1138428074.db2.gz RLTBBELHMMOZNT-HNNXBMFYSA-N 1 1 307.390 2.109 20 10 DECDMO CCc1ccc(C[N@H+]2CCOC[C@@H]2CCC(=O)OC)c(O)c1 ZINC001236788848 1138428078 /nfs/dbraw/zinc/42/80/78/1138428078.db2.gz RLTBBELHMMOZNT-HNNXBMFYSA-N 1 1 307.390 2.109 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCCC[C@]23CC(=O)N(C)C3)c(O)c1 ZINC001236810344 1138435387 /nfs/dbraw/zinc/43/53/87/1138435387.db2.gz WKQQUANIOXDBHH-GOSISDBHSA-N 1 1 318.417 2.296 20 10 DECDMO COC(=O)CC[C@@H]1CC[N@@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236810871 1138436333 /nfs/dbraw/zinc/43/63/33/1138436333.db2.gz KOQOMOUKZHLOOF-CYBMUJFWSA-N 1 1 307.390 2.484 20 10 DECDMO COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2c(C)cc(OC)cc2O)C1 ZINC001236812031 1138437329 /nfs/dbraw/zinc/43/73/29/1138437329.db2.gz YFCCNNOOVVVYOD-YPMHNXCESA-N 1 1 307.390 2.340 20 10 DECDMO CCOC(=O)CC[N@H+](C)Cc1ccc(OC)c(Cl)c1O ZINC001236811874 1138437549 /nfs/dbraw/zinc/43/75/49/1138437549.db2.gz QNGVIVVXLDABAK-UHFFFAOYSA-N 1 1 301.770 2.439 20 10 DECDMO CCOC(=O)CC[N@@H+](C)Cc1ccc(OC)c(Cl)c1O ZINC001236811874 1138437555 /nfs/dbraw/zinc/43/75/55/1138437555.db2.gz QNGVIVVXLDABAK-UHFFFAOYSA-N 1 1 301.770 2.439 20 10 DECDMO C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C[C@H]1O ZINC001236925352 1138457383 /nfs/dbraw/zinc/45/73/83/1138457383.db2.gz UGUYCMMBRZKIAH-CXAGYDPISA-N 1 1 324.852 2.379 20 10 DECDMO CN1CCN(c2ccc(C[N@H+](C)[C@H]3CCCOC3)c(F)c2)CC1 ZINC001236947298 1138463387 /nfs/dbraw/zinc/46/33/87/1138463387.db2.gz QDJYZBRYIJKWAC-KRWDZBQOSA-N 1 1 321.440 2.188 20 10 DECDMO CN1CCN(c2ccc(C[N@@H+](C)[C@H]3CCCOC3)c(F)c2)CC1 ZINC001236947298 1138463391 /nfs/dbraw/zinc/46/33/91/1138463391.db2.gz QDJYZBRYIJKWAC-KRWDZBQOSA-N 1 1 321.440 2.188 20 10 DECDMO NC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078823 1138500288 /nfs/dbraw/zinc/50/02/88/1138500288.db2.gz XHUYTXDCTGTTDV-QMMMGPOBSA-N 1 1 303.189 2.396 20 10 DECDMO NC(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237078823 1138500295 /nfs/dbraw/zinc/50/02/95/1138500295.db2.gz XHUYTXDCTGTTDV-QMMMGPOBSA-N 1 1 303.189 2.396 20 10 DECDMO C[NH+]1CCN(Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237051234 1138488797 /nfs/dbraw/zinc/48/87/97/1138488797.db2.gz IXIDADZMAXXRRS-UHFFFAOYSA-N 1 1 304.312 2.081 20 10 DECDMO CC(C)c1ccc(C[N@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c(O)c1 ZINC001237049713 1138490060 /nfs/dbraw/zinc/49/00/60/1138490060.db2.gz RYTSFCDURXVTOY-UHFFFAOYSA-N 1 1 315.373 2.275 20 10 DECDMO Oc1cccc(OC(F)(F)F)c1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001237115678 1138507076 /nfs/dbraw/zinc/50/70/76/1138507076.db2.gz HJIBKOKXIUDBTD-AOOOYVTPSA-N 1 1 303.280 2.369 20 10 DECDMO CN(Cc1c(O)cccc1OC(F)(F)F)[C@H]1CC[N@@H+](C)C1 ZINC001237123771 1138507865 /nfs/dbraw/zinc/50/78/65/1138507865.db2.gz SFIKZJVMNGCJOB-JTQLQIEISA-N 1 1 304.312 2.427 20 10 DECDMO CN1CC[C@H]([N@H+](C)Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237123771 1138507869 /nfs/dbraw/zinc/50/78/69/1138507869.db2.gz SFIKZJVMNGCJOB-JTQLQIEISA-N 1 1 304.312 2.427 20 10 DECDMO CN1CC[C@H]([N@@H+](C)Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237123771 1138507874 /nfs/dbraw/zinc/50/78/74/1138507874.db2.gz SFIKZJVMNGCJOB-JTQLQIEISA-N 1 1 304.312 2.427 20 10 DECDMO C[N@H+](Cc1ccc(N2CCS(=O)(=O)CC2)cc1)CC1CCC1 ZINC001237208440 1138531614 /nfs/dbraw/zinc/53/16/14/1138531614.db2.gz BTGUPJGYAZCBAN-UHFFFAOYSA-N 1 1 322.474 2.153 20 10 DECDMO CCc1n[nH]cc1C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001237651300 1138737306 /nfs/dbraw/zinc/73/73/06/1138737306.db2.gz JGPMPIVXYZONPY-UHFFFAOYSA-N 1 1 300.406 2.303 20 10 DECDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)cc(OC)c2O)[C@@H]1C ZINC001237678428 1138753728 /nfs/dbraw/zinc/75/37/28/1138753728.db2.gz OCCMVWZEHOSEDQ-RISCZKNCSA-N 1 1 323.389 2.183 20 10 DECDMO CC(=O)NC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237940023 1138811543 /nfs/dbraw/zinc/81/15/43/1138811543.db2.gz AGCKPPLIVKLLIE-UHFFFAOYSA-N 1 1 300.761 2.285 20 10 DECDMO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237936985 1138811580 /nfs/dbraw/zinc/81/15/80/1138811580.db2.gz MUGXTMSRCPNUEX-SNVBAGLBSA-N 1 1 314.788 2.485 20 10 DECDMO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237936985 1138811582 /nfs/dbraw/zinc/81/15/82/1138811582.db2.gz MUGXTMSRCPNUEX-SNVBAGLBSA-N 1 1 314.788 2.485 20 10 DECDMO CCOC(=O)c1c[nH+]ccc1NCc1ccc(N(C)C)c(F)c1 ZINC001321074178 1141047227 /nfs/dbraw/zinc/04/72/27/1141047227.db2.gz RRTCQPKVWXRPJX-UHFFFAOYSA-N 1 1 317.364 2.497 20 10 DECDMO C[NH+]1CCN(c2ccc(CNC3(C(F)F)CC3)cc2F)CC1 ZINC001321373398 1141208728 /nfs/dbraw/zinc/20/87/28/1141208728.db2.gz RJHOQTCLGVTQHK-UHFFFAOYSA-N 1 1 313.367 2.465 20 10 DECDMO COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(O)c1 ZINC001249171490 1141856403 /nfs/dbraw/zinc/85/64/03/1141856403.db2.gz CMGONZLMXHFXFM-DOTOQJQBSA-N 1 1 319.401 2.109 20 10 DECDMO CC(=O)N1CC[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249230520 1141862948 /nfs/dbraw/zinc/86/29/48/1141862948.db2.gz KAONMZIUTOJWTE-UHFFFAOYSA-N 1 1 316.401 2.241 20 10 DECDMO CCCC[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001252107643 1142643219 /nfs/dbraw/zinc/64/32/19/1142643219.db2.gz GYNYGWBFYXPVPU-GOSISDBHSA-N 1 1 305.466 2.079 20 10 DECDMO Nc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001342021570 1143771765 /nfs/dbraw/zinc/77/17/65/1143771765.db2.gz MMQQIZRMZPZKOG-SFHVURJKSA-N 1 1 324.428 2.335 20 10 DECDMO Nc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001342021570 1143771774 /nfs/dbraw/zinc/77/17/74/1143771774.db2.gz MMQQIZRMZPZKOG-SFHVURJKSA-N 1 1 324.428 2.335 20 10 DECDMO Oc1ccc([C@@H](O)CN[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1O ZINC001256893933 1143873085 /nfs/dbraw/zinc/87/30/85/1143873085.db2.gz BPHUSEZVUSEQBF-KSSFIOAISA-N 1 1 320.433 2.128 20 10 DECDMO Oc1ccc([C@@H](O)CN[C@H]2CCC[N@H+](C3CCCC3)C2)cc1O ZINC001256893933 1143873086 /nfs/dbraw/zinc/87/30/86/1143873086.db2.gz BPHUSEZVUSEQBF-KSSFIOAISA-N 1 1 320.433 2.128 20 10 DECDMO COc1cc(C)c(CN2CC[NH+](CCOC(C)C)CC2)c(O)c1 ZINC001308611987 1147480546 /nfs/dbraw/zinc/48/05/46/1147480546.db2.gz UUFXGPQPIKDQTR-UHFFFAOYSA-N 1 1 322.449 2.252 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c(O)c1 ZINC001308613583 1147481487 /nfs/dbraw/zinc/48/14/87/1147481487.db2.gz LOOOQLUBBQSPRS-CYBMUJFWSA-N 1 1 306.406 2.187 20 10 DECDMO CC(C)O[C@@]1(C[NH2+]Cc2cc(F)c(F)cc2O)CCOC1 ZINC001308950668 1147491441 /nfs/dbraw/zinc/49/14/41/1147491441.db2.gz KSKQMCBCSCSODW-OAHLLOKOSA-N 1 1 301.333 2.344 20 10 DECDMO CNC(=O)CC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000079474078 185172938 /nfs/dbraw/zinc/17/29/38/185172938.db2.gz MJVKTNHTBOINMC-UHFFFAOYSA-N 1 1 322.380 2.082 20 10 DECDMO CN(C)c1ccc(CNC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cc1 ZINC000072930035 191251597 /nfs/dbraw/zinc/25/15/97/191251597.db2.gz FIEHGHFSBINPTG-DLBZAZTESA-N 1 1 316.449 2.131 20 10 DECDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052465487 354403471 /nfs/dbraw/zinc/40/34/71/354403471.db2.gz IQSPLQGXUORYER-UHFFFAOYSA-N 1 1 319.449 2.076 20 10 DECDMO CCCOc1ccc(C[NH+]2CCN([C@@H](CC)CO)CC2)c(O)c1 ZINC000093740231 355686136 /nfs/dbraw/zinc/68/61/36/355686136.db2.gz WSCXMYGLOHJIFA-INIZCTEOSA-N 1 1 322.449 2.070 20 10 DECDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1CN1CCCC1)OCO2 ZINC000172485445 285382043 /nfs/dbraw/zinc/38/20/43/285382043.db2.gz JIUXOWIWDQSZQU-CQSZACIVSA-N 1 1 304.390 2.181 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1CN1CCCC1)OCO2 ZINC000172485445 285382045 /nfs/dbraw/zinc/38/20/45/285382045.db2.gz JIUXOWIWDQSZQU-CQSZACIVSA-N 1 1 304.390 2.181 20 10 DECDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(OC)c1O)C2 ZINC000378634889 533638371 /nfs/dbraw/zinc/63/83/71/533638371.db2.gz SFVBUCZXGFXJRK-GUYCJALGSA-N 1 1 305.374 2.176 20 10 DECDMO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000272298008 130016930 /nfs/dbraw/zinc/01/69/30/130016930.db2.gz IERQRBIYZRYQRZ-CQSZACIVSA-N 1 1 304.390 2.121 20 10 DECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCn2ccnc2)c1 ZINC000273303866 130105136 /nfs/dbraw/zinc/10/51/36/130105136.db2.gz CFJADZXSGPZEEG-GFCCVEGCSA-N 1 1 303.362 2.116 20 10 DECDMO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc2c(cc1O)CCCC2 ZINC000273424114 130121082 /nfs/dbraw/zinc/12/10/82/130121082.db2.gz SWFMSIAGGZOGRA-WMLDXEAASA-N 1 1 318.461 2.378 20 10 DECDMO CN(C)c1ccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)cc1 ZINC000273699440 130154912 /nfs/dbraw/zinc/15/49/12/130154912.db2.gz CVWDFWSPROKVEK-UHFFFAOYSA-N 1 1 315.396 2.004 20 10 DECDMO CC(C)NC(=O)C[N@H+](C)Cc1cc(Br)ccc1O ZINC000133385043 401884337 /nfs/dbraw/zinc/88/43/37/401884337.db2.gz WPVWLXMRVNSNJL-UHFFFAOYSA-N 1 1 315.211 2.111 20 10 DECDMO CC(C)NC(=O)C[N@@H+](C)Cc1cc(Br)ccc1O ZINC000133385043 401884340 /nfs/dbraw/zinc/88/43/40/401884340.db2.gz WPVWLXMRVNSNJL-UHFFFAOYSA-N 1 1 315.211 2.111 20 10 DECDMO COCCCC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000117881758 401886393 /nfs/dbraw/zinc/88/63/93/401886393.db2.gz PADOYHDRIDZXMN-UHFFFAOYSA-N 1 1 315.797 2.447 20 10 DECDMO COCCCC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000117881758 401886395 /nfs/dbraw/zinc/88/63/95/401886395.db2.gz PADOYHDRIDZXMN-UHFFFAOYSA-N 1 1 315.797 2.447 20 10 DECDMO COc1cccc(C[NH+]2CCN(Cc3cc(C)on3)CC2)c1O ZINC000120604452 401995359 /nfs/dbraw/zinc/99/53/59/401995359.db2.gz CIFKTBIIHLCDRQ-UHFFFAOYSA-N 1 1 317.389 2.015 20 10 DECDMO Cc1nsc(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000093663309 402018761 /nfs/dbraw/zinc/01/87/61/402018761.db2.gz SNZTVTSVGATBIY-UHFFFAOYSA-N 1 1 317.462 2.235 20 10 DECDMO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)c1O ZINC000093809908 402020408 /nfs/dbraw/zinc/02/04/08/402020408.db2.gz AODGUGAHRWZHEM-CYBMUJFWSA-N 1 1 302.378 2.257 20 10 DECDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2nncn2C)c1O ZINC000093809908 402020410 /nfs/dbraw/zinc/02/04/10/402020410.db2.gz AODGUGAHRWZHEM-CYBMUJFWSA-N 1 1 302.378 2.257 20 10 DECDMO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000092756629 402008559 /nfs/dbraw/zinc/00/85/59/402008559.db2.gz KBOJTOZNQQHHPC-IBGZPJMESA-N 1 1 315.461 2.193 20 10 DECDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000092756629 402008560 /nfs/dbraw/zinc/00/85/60/402008560.db2.gz KBOJTOZNQQHHPC-IBGZPJMESA-N 1 1 315.461 2.193 20 10 DECDMO COc1c(O)c(C[N@H+](CCO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000278267791 286186727 /nfs/dbraw/zinc/18/67/27/286186727.db2.gz RHUKDMIDMNORBY-UHFFFAOYSA-N 1 1 310.350 2.046 20 10 DECDMO COc1c(O)c(C[N@@H+](CCO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000278267791 286186728 /nfs/dbraw/zinc/18/67/28/286186728.db2.gz RHUKDMIDMNORBY-UHFFFAOYSA-N 1 1 310.350 2.046 20 10 DECDMO CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)N1CCN(C)CC1 ZINC000176986408 402356997 /nfs/dbraw/zinc/35/69/97/402356997.db2.gz LUAKQSJGNDICGL-YOEHRIQHSA-N 1 1 323.456 2.454 20 10 DECDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000162694980 402429194 /nfs/dbraw/zinc/42/91/94/402429194.db2.gz VHCOXJJDNUKSJA-CYBMUJFWSA-N 1 1 315.373 2.364 20 10 DECDMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186585617 402444512 /nfs/dbraw/zinc/44/45/12/402444512.db2.gz PEUMHQKIXLCUGJ-ZIAGYGMSSA-N 1 1 309.429 2.208 20 10 DECDMO O=C1OCC[C@@H]1CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246294911 402523666 /nfs/dbraw/zinc/52/36/66/402523666.db2.gz AQBXFLOIKJPVES-GOEBONIOSA-N 1 1 319.401 2.326 20 10 DECDMO COc1ccc(O)c(C[N@@H+](CCO)Cc2ccccc2OC)c1 ZINC000179752314 402599705 /nfs/dbraw/zinc/59/97/05/402599705.db2.gz ABVBBXHGDIBOAO-UHFFFAOYSA-N 1 1 317.385 2.404 20 10 DECDMO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cccc(Cl)c1[O-] ZINC000180260087 402611626 /nfs/dbraw/zinc/61/16/26/402611626.db2.gz JRIPAZJWOJWVAY-NXEZZACHSA-N 1 1 305.827 2.299 20 10 DECDMO Cc1cc(Cl)cc(C[NH+]2CCN(c3ncccn3)CC2)c1O ZINC000183470730 402770451 /nfs/dbraw/zinc/77/04/51/402770451.db2.gz OWXCOHVICYPBMJ-UHFFFAOYSA-N 1 1 318.808 2.466 20 10 DECDMO COc1c(O)c(C[N@H+](C[C@H]2CCOC2)C2CC2)ccc1[N+](=O)[O-] ZINC000278140132 402859249 /nfs/dbraw/zinc/85/92/49/402859249.db2.gz AVSHUIQBCFWBRI-LLVKDONJSA-N 1 1 322.361 2.310 20 10 DECDMO COc1c(O)c(C[N@@H+](C[C@H]2CCOC2)C2CC2)ccc1[N+](=O)[O-] ZINC000278140132 402859252 /nfs/dbraw/zinc/85/92/52/402859252.db2.gz AVSHUIQBCFWBRI-LLVKDONJSA-N 1 1 322.361 2.310 20 10 DECDMO COC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)[C@@H]1CCCO1 ZINC000278718966 402869975 /nfs/dbraw/zinc/86/99/75/402869975.db2.gz ILERKDYFUJDEBI-PJODQICGSA-N 1 1 323.389 2.023 20 10 DECDMO Cc1ccc(O)c(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000278785270 402870420 /nfs/dbraw/zinc/87/04/20/402870420.db2.gz VLEPWQZBNIRSKN-HNNXBMFYSA-N 1 1 304.434 2.386 20 10 DECDMO Cc1ccc(O)c(C[N@H+]2CCN(C3CCOCC3)C[C@@H]2C)c1 ZINC000278785270 402870422 /nfs/dbraw/zinc/87/04/22/402870422.db2.gz VLEPWQZBNIRSKN-HNNXBMFYSA-N 1 1 304.434 2.386 20 10 DECDMO Cc1ccc(O)c(C[N@@H+]2CCN(C3CCOCC3)C[C@@H]2C)c1 ZINC000278785270 402870424 /nfs/dbraw/zinc/87/04/24/402870424.db2.gz VLEPWQZBNIRSKN-HNNXBMFYSA-N 1 1 304.434 2.386 20 10 DECDMO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1O ZINC000271878171 402884997 /nfs/dbraw/zinc/88/49/97/402884997.db2.gz UHVIRGBZMYAKHR-WBVHZDCISA-N 1 1 315.417 2.380 20 10 DECDMO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(N(C)C)c(F)c1)CCO2 ZINC000279625928 402960685 /nfs/dbraw/zinc/96/06/85/402960685.db2.gz HLAGEDOLOPQMEY-DYVFJYSZSA-N 1 1 308.397 2.272 20 10 DECDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(N(C)C)c(F)c1)CCO2 ZINC000279625928 402960686 /nfs/dbraw/zinc/96/06/86/402960686.db2.gz HLAGEDOLOPQMEY-DYVFJYSZSA-N 1 1 308.397 2.272 20 10 DECDMO COc1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000280565717 403013613 /nfs/dbraw/zinc/01/36/13/403013613.db2.gz VIZFMDFZFYYISG-DCGLDWPTSA-N 1 1 307.390 2.169 20 10 DECDMO CS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000281764768 403089631 /nfs/dbraw/zinc/08/96/31/403089631.db2.gz CVYNNIJZZKBDLB-ZDUSSCGKSA-N 1 1 305.399 2.164 20 10 DECDMO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293655574 403530188 /nfs/dbraw/zinc/53/01/88/403530188.db2.gz PBUVHNTWNWCUSV-MRVPVSSYSA-N 1 1 309.790 2.098 20 10 DECDMO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@H]1OC ZINC000293667359 403533038 /nfs/dbraw/zinc/53/30/38/403533038.db2.gz QDMWOKPPLSSXCF-IACUBPJLSA-N 1 1 303.761 2.467 20 10 DECDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000294887505 403736801 /nfs/dbraw/zinc/73/68/01/403736801.db2.gz ILNLGKSCHYPSMX-LLVKDONJSA-N 1 1 310.369 2.041 20 10 DECDMO COc1cc(O)c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000362239365 403937826 /nfs/dbraw/zinc/93/78/26/403937826.db2.gz RWYOFTOACBNJFM-KGLIPLIRSA-N 1 1 306.406 2.126 20 10 DECDMO COc1cc(O)c(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000362239365 403937831 /nfs/dbraw/zinc/93/78/31/403937831.db2.gz RWYOFTOACBNJFM-KGLIPLIRSA-N 1 1 306.406 2.126 20 10 DECDMO COCc1nc(C[NH2+]Cc2cc3c(cc2O)OCO3)cs1 ZINC000289698889 403993316 /nfs/dbraw/zinc/99/33/16/403993316.db2.gz DQSDGLPEGGVQAE-UHFFFAOYSA-N 1 1 308.359 2.014 20 10 DECDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289832410 404002420 /nfs/dbraw/zinc/00/24/20/404002420.db2.gz UJBXQJXMEPJZRC-YPMHNXCESA-N 1 1 319.323 2.394 20 10 DECDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1c(O)cccc1Cl ZINC000289846052 404003887 /nfs/dbraw/zinc/00/38/87/404003887.db2.gz UUMQXFSYURVDTN-STQMWFEESA-N 1 1 310.825 2.341 20 10 DECDMO COc1cc(O)c(CN2CCC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000367228546 404975050 /nfs/dbraw/zinc/97/50/50/404975050.db2.gz KPCCJPYILNNCQV-AWEZNQCLSA-N 1 1 306.406 2.080 20 10 DECDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000377241278 227184604 /nfs/dbraw/zinc/18/46/04/227184604.db2.gz QDXVZKMJPWIXNB-QZTJIDSGSA-N 1 1 316.445 2.382 20 10 DECDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000377721191 227197787 /nfs/dbraw/zinc/19/77/87/227197787.db2.gz SRRGRMLUELJSBX-IUODEOHRSA-N 1 1 310.825 2.341 20 10 DECDMO COc1ccc(N2CCC[N@@H+](CC[C@H]3CCOC3=O)CC2)cc1 ZINC000247013080 534001675 /nfs/dbraw/zinc/00/16/75/534001675.db2.gz SCJPSMBHZHQLNR-HNNXBMFYSA-N 1 1 318.417 2.161 20 10 DECDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000373642284 534200864 /nfs/dbraw/zinc/20/08/64/534200864.db2.gz ULWBCQWTIIGDPK-GUYCJALGSA-N 1 1 307.390 2.171 20 10 DECDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181186050 519730638 /nfs/dbraw/zinc/73/06/38/519730638.db2.gz BWFBRBAQVFSKHF-DRDHIDPGSA-N 1 1 318.417 2.205 20 10 DECDMO CCCOc1ccc(C[N@@H+](CCC)CC(=O)N(C)C)c(O)c1 ZINC000156005576 520346233 /nfs/dbraw/zinc/34/62/33/520346233.db2.gz URTOJLBZQWPYDQ-UHFFFAOYSA-N 1 1 308.422 2.481 20 10 DECDMO CCOc1cccc(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1O ZINC000188740963 521341490 /nfs/dbraw/zinc/34/14/90/521341490.db2.gz 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ZINC000907927459 644692038 /nfs/dbraw/zinc/69/20/38/644692038.db2.gz WSDNIGQHJJSCTE-AWEZNQCLSA-N 1 1 306.406 2.139 20 10 DECDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCC1(O)CCOCC1 ZINC000796467542 644741831 /nfs/dbraw/zinc/74/18/31/644741831.db2.gz VATXNSNSNAWKGK-UHFFFAOYSA-N 1 1 303.761 2.206 20 10 DECDMO CC[C@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc(F)cc1O ZINC000796796807 644794919 /nfs/dbraw/zinc/79/49/19/644794919.db2.gz JKIJVAJIBQNIKF-GWCFXTLKSA-N 1 1 303.399 2.395 20 10 DECDMO CON(C)C(=O)CC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000799113505 645126711 /nfs/dbraw/zinc/12/67/11/645126711.db2.gz HQWJZZPFHWZONG-UHFFFAOYSA-N 1 1 307.438 2.373 20 10 DECDMO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000799352232 645164738 /nfs/dbraw/zinc/16/47/38/645164738.db2.gz PLVREWXKFBNXRK-OALUTQOASA-N 1 1 317.477 2.486 20 10 DECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](OCCOC)C2)c1 ZINC000802651891 645539681 /nfs/dbraw/zinc/53/96/81/645539681.db2.gz GBYBSVJBFHHHTO-MRXNPFEDSA-N 1 1 309.406 2.418 20 10 DECDMO CCC[N@@H+](Cc1cc(Cl)ccc1O)[C@H]1CC(=O)N(C)C1=O ZINC000802657063 645540884 /nfs/dbraw/zinc/54/08/84/645540884.db2.gz YDWLLXIWXRLDQK-LBPRGKRZSA-N 1 1 310.781 2.015 20 10 DECDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000840093986 645947670 /nfs/dbraw/zinc/94/76/70/645947670.db2.gz DPRUDTWIBCRIDR-ZDUSSCGKSA-N 1 1 316.401 2.155 20 10 DECDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000840106270 645971603 /nfs/dbraw/zinc/97/16/03/645971603.db2.gz RHHCLPXBQSXLFL-CYBMUJFWSA-N 1 1 315.373 2.213 20 10 DECDMO CCC[N@@H+]1CCC[C@H]1CNCc1cc(OC)c(OC)cc1O ZINC000809715266 646267035 /nfs/dbraw/zinc/26/70/35/646267035.db2.gz FOHNWFQKOPQRNU-AWEZNQCLSA-N 1 1 308.422 2.373 20 10 DECDMO CCC[N@H+]1CCC[C@H]1CNCc1cc(OC)c(OC)cc1O ZINC000809715266 646267037 /nfs/dbraw/zinc/26/70/37/646267037.db2.gz FOHNWFQKOPQRNU-AWEZNQCLSA-N 1 1 308.422 2.373 20 10 DECDMO CN(CC[N@@H+](C)C1CC1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809754185 646277621 /nfs/dbraw/zinc/27/76/21/646277621.db2.gz FGSQNHJDFLCIQP-UHFFFAOYSA-N 1 1 321.440 2.188 20 10 DECDMO Cc1cc(C)c(O)c(C[NH+]2CCN(C3CCOCC3)CC2)c1 ZINC000164446541 646446166 /nfs/dbraw/zinc/44/61/66/646446166.db2.gz AYNRTBVHIXWMPG-UHFFFAOYSA-N 1 1 304.434 2.306 20 10 DECDMO COCC[C@@](C)(O)C[NH2+]Cc1cccc(Br)c1O ZINC000172072194 646721602 /nfs/dbraw/zinc/72/16/02/646721602.db2.gz HANYKJBIQCBPCB-CYBMUJFWSA-N 1 1 318.211 2.032 20 10 DECDMO CCOC(=O)N1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815008239 646956666 /nfs/dbraw/zinc/95/66/66/646956666.db2.gz SONLDLBESHTXIU-UHFFFAOYSA-N 1 1 305.422 2.335 20 10 DECDMO Cc1cc(C[NH+]2CCN(C[C@H]3CCCO3)CC2)ccc1N(C)C ZINC000815008061 646956771 /nfs/dbraw/zinc/95/67/71/646956771.db2.gz MJWSWLVKIPUQPT-GOSISDBHSA-N 1 1 317.477 2.358 20 10 DECDMO Cc1cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)ccc1N(C)C ZINC000815060882 646961555 /nfs/dbraw/zinc/96/15/55/646961555.db2.gz DRQFKAISPOWVTI-QZTJIDSGSA-N 1 1 304.434 2.441 20 10 DECDMO C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815616377 647036309 /nfs/dbraw/zinc/03/63/09/647036309.db2.gz NEZYHXGQMRTEJH-QMTHXVAHSA-N 1 1 318.339 2.128 20 10 DECDMO C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815616377 647036313 /nfs/dbraw/zinc/03/63/13/647036313.db2.gz NEZYHXGQMRTEJH-QMTHXVAHSA-N 1 1 318.339 2.128 20 10 DECDMO C[C@@H]([NH2+]C1COCCOC1)c1cccc(C(F)(F)F)c1O ZINC000815629173 647036941 /nfs/dbraw/zinc/03/69/41/647036941.db2.gz WLEJQIJXOGNUDJ-SECBINFHSA-N 1 1 305.296 2.477 20 10 DECDMO CC(C)(CO)[NH+]1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816513630 647145332 /nfs/dbraw/zinc/14/53/32/647145332.db2.gz WZYALBFWSSBYST-UHFFFAOYSA-N 1 1 316.804 2.073 20 10 DECDMO COC(=O)C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816513474 647145359 /nfs/dbraw/zinc/14/53/59/647145359.db2.gz RFSIKSRVIDJFFR-HNNXBMFYSA-N 1 1 315.369 2.309 20 10 DECDMO COC(=O)C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816513474 647145362 /nfs/dbraw/zinc/14/53/62/647145362.db2.gz RFSIKSRVIDJFFR-HNNXBMFYSA-N 1 1 315.369 2.309 20 10 DECDMO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816613090 647158845 /nfs/dbraw/zinc/15/88/45/647158845.db2.gz ISHFKIUVZIXVGE-NSHDSACASA-N 1 1 320.817 2.142 20 10 DECDMO OC[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000816666081 647165511 /nfs/dbraw/zinc/16/55/11/647165511.db2.gz DGCXDKNGXSGKTQ-KRWDZBQOSA-N 1 1 304.434 2.118 20 10 DECDMO C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC000914180839 647206905 /nfs/dbraw/zinc/20/69/05/647206905.db2.gz XWLNGXIKJAKKJF-WMLDXEAASA-N 1 1 316.449 2.179 20 10 DECDMO COc1c(O)c(C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000817408821 647287557 /nfs/dbraw/zinc/28/75/57/647287557.db2.gz PUHMCBDIZHLHIB-DFKRKDTASA-N 1 1 324.377 2.458 20 10 DECDMO Cc1cc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)n(C)n1 ZINC000817942413 647388981 /nfs/dbraw/zinc/38/89/81/647388981.db2.gz ORKXIQFCNHBQTR-XJKSGUPXSA-N 1 1 301.438 2.145 20 10 DECDMO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(OC)c2O)s1 ZINC000818232285 647437678 /nfs/dbraw/zinc/43/76/78/647437678.db2.gz YDHWAZVXVCDUML-SECBINFHSA-N 1 1 322.386 2.495 20 10 DECDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C1=CC(=O)CS1 ZINC000732276786 647556476 /nfs/dbraw/zinc/55/64/76/647556476.db2.gz QQGKAFQRSNKRCC-UHFFFAOYSA-N 1 1 314.370 2.273 20 10 DECDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000917481387 648004630 /nfs/dbraw/zinc/00/46/30/648004630.db2.gz YWLFEEZXRRKDIZ-NSHDSACASA-N 1 1 307.390 2.390 20 10 DECDMO Cc1[nH+]ccn1CCCNC(=O)N(C)Cc1ccccc1O ZINC000918223573 648066751 /nfs/dbraw/zinc/06/67/51/648066751.db2.gz KGDHMDCKAGPJNZ-UHFFFAOYSA-N 1 1 302.378 2.129 20 10 DECDMO Fc1cnccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000823670588 648465590 /nfs/dbraw/zinc/46/55/90/648465590.db2.gz ARYNVUUTTTUTIK-UHFFFAOYSA-N 1 1 319.355 2.486 20 10 DECDMO CN1CCN(c2ccc(C[NH2+][C@H]3CC[C@H](CO)CC3)cc2)CC1 ZINC000824007119 648510819 /nfs/dbraw/zinc/51/08/19/648510819.db2.gz PDGOWYJOILFWLI-IYARVYRRSA-N 1 1 317.477 2.079 20 10 DECDMO COC[C@]1(C)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 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ZINC000862340422 686278648 /nfs/dbraw/zinc/27/86/48/686278648.db2.gz BFGBFSMZGXJVDO-CYBMUJFWSA-N 1 1 323.387 2.228 20 10 DECDMO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1F ZINC000862340425 686278821 /nfs/dbraw/zinc/27/88/21/686278821.db2.gz BFGBFSMZGXJVDO-ZDUSSCGKSA-N 1 1 323.387 2.228 20 10 DECDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1F ZINC000862340425 686278823 /nfs/dbraw/zinc/27/88/23/686278823.db2.gz BFGBFSMZGXJVDO-ZDUSSCGKSA-N 1 1 323.387 2.228 20 10 DECDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000863337615 686480755 /nfs/dbraw/zinc/48/07/55/686480755.db2.gz FECPFQDAGYRRHA-DGCLKSJQSA-N 1 1 305.374 2.000 20 10 DECDMO [NH3+]C1(CNCc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000863482086 686508249 /nfs/dbraw/zinc/50/82/49/686508249.db2.gz SASCYGFWWRVYNS-UHFFFAOYSA-N 1 1 303.450 2.274 20 10 DECDMO C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(Br)cc1[O-] ZINC000863546629 686518814 /nfs/dbraw/zinc/51/88/14/686518814.db2.gz MANISWGXGGMEDL-JTQLQIEISA-N 1 1 317.227 2.171 20 10 DECDMO O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC000930726701 694227859 /nfs/dbraw/zinc/22/78/59/694227859.db2.gz OJZHNVFIDKJONH-ZIFCJYIRSA-N 1 1 316.445 2.116 20 10 DECDMO C[N@H+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CCC1(C)C ZINC000871154120 688736854 /nfs/dbraw/zinc/73/68/54/688736854.db2.gz CMACIZNFVXKUOC-FNORWQNLSA-N 1 1 304.390 2.054 20 10 DECDMO COc1cc(O)c(C[N@H+]2CCO[C@H](C(F)F)CC2)cc1OC ZINC000872257860 688966120 /nfs/dbraw/zinc/96/61/20/688966120.db2.gz ZLXHWDDMTMSTBO-LBPRGKRZSA-N 1 1 317.332 2.265 20 10 DECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(=O)[nH]c1 ZINC000876551848 689854110 /nfs/dbraw/zinc/85/41/10/689854110.db2.gz YTWIRPQRSBBDAQ-UHFFFAOYSA-N 1 1 313.401 2.256 20 10 DECDMO COC(=O)CC[N@H+](Cc1c(C)cccc1O)C[C@@H]1CCCO1 ZINC000876745103 689924408 /nfs/dbraw/zinc/92/44/08/689924408.db2.gz ZZRCZPHFOGVWCE-AWEZNQCLSA-N 1 1 307.390 2.245 20 10 DECDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000876781141 689935993 /nfs/dbraw/zinc/93/59/93/689935993.db2.gz CXSLOFGEBCYZDJ-SJLPKXTDSA-N 1 1 317.477 2.158 20 10 DECDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000876781141 689935995 /nfs/dbraw/zinc/93/59/95/689935995.db2.gz CXSLOFGEBCYZDJ-SJLPKXTDSA-N 1 1 317.477 2.158 20 10 DECDMO Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)c(O)c1 ZINC000876810321 689944101 /nfs/dbraw/zinc/94/41/01/689944101.db2.gz RLUATJPWDFOAHM-RDJZCZTQSA-N 1 1 315.417 2.380 20 10 DECDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000931146279 694327228 /nfs/dbraw/zinc/32/72/28/694327228.db2.gz BXGAMNCCUQSICJ-INIZCTEOSA-N 1 1 307.413 2.381 20 10 DECDMO OC1CCN(c2ccc(C[NH2+]Cc3ncccc3F)cc2)CC1 ZINC000877113540 690021249 /nfs/dbraw/zinc/02/12/49/690021249.db2.gz AXTUKPUXFNGWRK-UHFFFAOYSA-N 1 1 315.392 2.472 20 10 DECDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000877502991 690133651 /nfs/dbraw/zinc/13/36/51/690133651.db2.gz YAUVDOHCOXBMHC-MRXNPFEDSA-N 1 1 304.434 2.245 20 10 DECDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877530967 690143151 /nfs/dbraw/zinc/14/31/51/690143151.db2.gz GZPQUHPIPGQKIL-GOSISDBHSA-N 1 1 320.477 2.487 20 10 DECDMO CCOC(=O)C[N@H+](CCC[C@H]1CCO1)Cc1ccccc1O ZINC000877598741 690163920 /nfs/dbraw/zinc/16/39/20/690163920.db2.gz KLRFKBJDHZCQBD-HNNXBMFYSA-N 1 1 307.390 2.326 20 10 DECDMO CCOC(=O)C[N@@H+](CCC[C@H]1CCO1)Cc1ccccc1O ZINC000877598741 690163922 /nfs/dbraw/zinc/16/39/22/690163922.db2.gz KLRFKBJDHZCQBD-HNNXBMFYSA-N 1 1 307.390 2.326 20 10 DECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](C(C)(C)O)C2)cc1OC ZINC000877796308 690233913 /nfs/dbraw/zinc/23/39/13/690233913.db2.gz CLEHIZCYEZNAJI-CYBMUJFWSA-N 1 1 309.406 2.392 20 10 DECDMO COc1c(O)c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)ccc1[N+](=O)[O-] ZINC000877804785 690236538 /nfs/dbraw/zinc/23/65/38/690236538.db2.gz DAZXZCPWKUWDSM-JKOKRWQUSA-N 1 1 322.361 2.356 20 10 DECDMO COc1ccc(N2CCC[N@@H+](CCc3cnccn3)CC2)cc1 ZINC000877982756 690278221 /nfs/dbraw/zinc/27/82/21/690278221.db2.gz AHIVDSVQITXKDJ-UHFFFAOYSA-N 1 1 312.417 2.240 20 10 DECDMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCO[C@H]1C ZINC000878728266 690487294 /nfs/dbraw/zinc/48/72/94/690487294.db2.gz LAHKXVYMOZPOPE-KBPBESRZSA-N 1 1 307.390 2.182 20 10 DECDMO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CC[N@H+]2CCCF)cc1 ZINC001039060852 691006174 /nfs/dbraw/zinc/00/61/74/691006174.db2.gz NFHLUGLCRZVFOI-CYBMUJFWSA-N 1 1 321.356 2.013 20 10 DECDMO CC(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)N1CCOCC1 ZINC000882882101 691378126 /nfs/dbraw/zinc/37/81/26/691378126.db2.gz UDAVIFGODNZAEE-HNNXBMFYSA-N 1 1 314.376 2.117 20 10 DECDMO Oc1c(F)cc(F)cc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000883121628 691433786 /nfs/dbraw/zinc/43/37/86/691433786.db2.gz NSGXKHCJJDZFKG-BBRMVZONSA-N 1 1 307.296 2.255 20 10 DECDMO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883166854 691445940 /nfs/dbraw/zinc/44/59/40/691445940.db2.gz KIAJKWDQHFLEQI-YVLXSGLVSA-N 1 1 315.360 2.326 20 10 DECDMO CC(C)(C[NH2+]Cc1cc(F)cc(F)c1O)C(=O)N1CCCC1 ZINC000883190570 691453692 /nfs/dbraw/zinc/45/36/92/691453692.db2.gz HJEUJRLAEFTUPL-UHFFFAOYSA-N 1 1 312.360 2.409 20 10 DECDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@]1(C)CCCO1 ZINC000883290416 691473449 /nfs/dbraw/zinc/47/34/49/691473449.db2.gz UKSYKIANVWYNII-LPHOPBHVSA-N 1 1 317.477 2.486 20 10 DECDMO COc1cc(O)c(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1OC ZINC000884481604 691748704 /nfs/dbraw/zinc/74/87/04/691748704.db2.gz NPOIIGKYFHPXEC-SWLSCSKDSA-N 1 1 307.390 2.410 20 10 DECDMO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1c(O)cccc1F ZINC000886588045 692119738 /nfs/dbraw/zinc/11/97/38/692119738.db2.gz KEPVQOZIHQIWOO-MNOVXSKESA-N 1 1 301.383 2.149 20 10 DECDMO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1c(O)cccc1F ZINC000886609495 692131817 /nfs/dbraw/zinc/13/18/17/692131817.db2.gz VFXACFMBSZXXOB-GHMZBOCLSA-N 1 1 301.383 2.007 20 10 DECDMO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CNCC3(CCOCC3)C1)CC2 ZINC000925796123 693343915 /nfs/dbraw/zinc/34/39/15/693343915.db2.gz KSPOMKKTLAEJSC-GJZGRUSLSA-N 1 1 302.418 2.128 20 10 DECDMO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cc(CO)on3)C2)cc1 ZINC000926681412 693492021 /nfs/dbraw/zinc/49/20/21/693492021.db2.gz YLZVJKDWPBEVCJ-OLZOCXBDSA-N 1 1 317.389 2.105 20 10 DECDMO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1c(O)cccc1F ZINC000926947976 693534007 /nfs/dbraw/zinc/53/40/07/693534007.db2.gz CNCHVCFYZOGOML-SNVBAGLBSA-N 1 1 303.399 2.253 20 10 DECDMO O=S1(=O)CCC[C@@H]1CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001332021666 1149809519 /nfs/dbraw/zinc/80/95/19/1149809519.db2.gz OXEGPBUWNYAQKI-SNVBAGLBSA-N 1 1 321.801 2.242 20 10 DECDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N)cc2)C[C@@H]1C ZINC001335724075 1150511599 /nfs/dbraw/zinc/51/15/99/1150511599.db2.gz FUBWBHOVBSYEHD-BBRMVZONSA-N 1 1 304.438 2.283 20 10 DECDMO COc1cccc(CNC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)c1O ZINC001349328916 1151241965 /nfs/dbraw/zinc/24/19/65/1151241965.db2.gz ASKLFZBMADDMSU-CFVMTHIKSA-N 1 1 318.417 2.137 20 10 DECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(O)cn1 ZINC001144259385 790824399 /nfs/dbraw/zinc/82/43/99/790824399.db2.gz QGXBUDUQQQVXTK-UHFFFAOYSA-N 1 1 313.401 2.256 20 10 DECDMO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)c(F)cc1O ZINC001144298775 790848542 /nfs/dbraw/zinc/84/85/42/790848542.db2.gz ITSDQSCIKDLDTA-BDAKNGLRSA-N 1 1 318.186 2.497 20 10 DECDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Br)c(F)cc1O ZINC001144298775 790848549 /nfs/dbraw/zinc/84/85/49/790848549.db2.gz ITSDQSCIKDLDTA-BDAKNGLRSA-N 1 1 318.186 2.497 20 10 DECDMO COC(=O)CC[N@@H+](Cc1c(O)cc(O)cc1O)C1CCCC1 ZINC001144509292 790940782 /nfs/dbraw/zinc/94/07/82/790940782.db2.gz SBBILXHSZWYCCM-UHFFFAOYSA-N 1 1 309.362 2.111 20 10 DECDMO Cc1cc(N2CC=C(CCNC(=O)[C@H]3C[C@@H]3C)CC2)nc(C)[nH+]1 ZINC001089802148 783456108 /nfs/dbraw/zinc/45/61/08/783456108.db2.gz GJQFEILJVZSTBQ-LRDDRELGSA-N 1 1 314.433 2.392 20 10 DECDMO COc1cccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c1O ZINC000824798181 783607556 /nfs/dbraw/zinc/60/75/56/783607556.db2.gz IAAVXLZAMNGSST-KBPBESRZSA-N 1 1 304.390 2.034 20 10 DECDMO Cc1cccc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c1O ZINC000826848718 783661478 /nfs/dbraw/zinc/66/14/78/783661478.db2.gz OROHRGUDNFUBGD-SJORKVTESA-N 1 1 310.397 2.402 20 10 DECDMO C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001169152201 785065269 /nfs/dbraw/zinc/06/52/69/785065269.db2.gz AKUHLOKDRLMEKK-MUJYYYPQSA-N 1 1 302.418 2.471 20 10 DECDMO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001169152201 785065275 /nfs/dbraw/zinc/06/52/75/785065275.db2.gz AKUHLOKDRLMEKK-MUJYYYPQSA-N 1 1 302.418 2.471 20 10 DECDMO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCc3cc(O)c(O)cc3C1)C2 ZINC001169152201 785065277 /nfs/dbraw/zinc/06/52/77/785065277.db2.gz AKUHLOKDRLMEKK-MUJYYYPQSA-N 1 1 302.418 2.471 20 10 DECDMO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](CC)Cc2ccccc2O)CO1 ZINC001169411378 785183552 /nfs/dbraw/zinc/18/35/52/785183552.db2.gz SFQVMOHTXIMRPM-ZBFHGGJFSA-N 1 1 307.390 2.325 20 10 DECDMO COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001170564031 787638217 /nfs/dbraw/zinc/63/82/17/787638217.db2.gz OHHUDRDPLYGMHS-TZMCWYRMSA-N 1 1 305.374 2.188 20 10 DECDMO CN(c1ccc(N)cc1)c1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC001175928220 794318625 /nfs/dbraw/zinc/31/86/25/794318625.db2.gz BSQBECUXVNZRCQ-UHFFFAOYSA-N 1 1 324.428 2.424 20 10 DECDMO CN(C)c1cc(F)c(C[NH2+][C@H](CO)CC(F)(F)F)cc1F ZINC001118801410 795228516 /nfs/dbraw/zinc/22/85/16/795228516.db2.gz QVRYNROTJHCVPN-VIFPVBQESA-N 1 1 312.282 2.434 20 10 DECDMO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc2cc(O)c(O)cc2s1 ZINC001120687504 795514175 /nfs/dbraw/zinc/51/41/75/795514175.db2.gz QNEIRIKVWWWRNO-LLVKDONJSA-N 1 1 318.398 2.137 20 10 DECDMO CC(C)(C)OC(=O)NCC1C[NH+](Cc2cccc(F)c2O)C1 ZINC001138123753 796166528 /nfs/dbraw/zinc/16/65/28/796166528.db2.gz JZZSYOHYVSNPPU-UHFFFAOYSA-N 1 1 310.369 2.488 20 10 DECDMO O=C(C1CCC1)N1CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC001138127942 796167738 /nfs/dbraw/zinc/16/77/38/796167738.db2.gz YBEVPERCHOLZFP-UHFFFAOYSA-N 1 1 306.381 2.366 20 10 DECDMO 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/nfs/dbraw/zinc/86/88/41/1079868841.db2.gz OUUVQDUCIFGGIV-UHFFFAOYSA-N 1 1 324.428 2.173 20 10 DECDMO CN(C)c1ccc(C[N@@H+](CC(=O)Nc2ccncc2)C2CC2)cc1 ZINC001652319456 1079868844 /nfs/dbraw/zinc/86/88/44/1079868844.db2.gz OUUVQDUCIFGGIV-UHFFFAOYSA-N 1 1 324.428 2.173 20 10 DECDMO COc1c(O)c(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC001653175169 1079915992 /nfs/dbraw/zinc/91/59/92/1079915992.db2.gz RKDLHVODIWYQAE-FZMZJTMJSA-N 1 1 324.377 2.340 20 10 DECDMO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001658988252 1080224645 /nfs/dbraw/zinc/22/46/45/1080224645.db2.gz JKIDPXZSXMWTLL-CYBMUJFWSA-N 1 1 317.838 2.445 20 10 DECDMO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001658988252 1080224655 /nfs/dbraw/zinc/22/46/55/1080224655.db2.gz JKIDPXZSXMWTLL-CYBMUJFWSA-N 1 1 317.838 2.445 20 10 DECDMO Cc1cn(C)nc1C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001663422245 1080744157 /nfs/dbraw/zinc/74/41/57/1080744157.db2.gz HCVRMGKHGMGHHK-SFHVURJKSA-N 1 1 315.465 2.187 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCC[C@@]3(CN(C)CCO3)C2)c(O)c1 ZINC001276806177 1083622895 /nfs/dbraw/zinc/62/28/95/1083622895.db2.gz JZKAOLUBZVNYAS-GOSISDBHSA-N 1 1 320.433 2.006 20 10 DECDMO CN(C)C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001277211400 1083848344 /nfs/dbraw/zinc/84/83/44/1083848344.db2.gz JTKHFBPXRJWDBE-QFBILLFUSA-N 1 1 313.445 2.339 20 10 DECDMO CN(C)C(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001277656493 1084078381 /nfs/dbraw/zinc/07/83/81/1084078381.db2.gz DSCUMNLSPRESCL-MAUKXSAKSA-N 1 1 318.417 2.178 20 10 DECDMO CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3O)CC[C@H]21 ZINC001203552257 1084090434 /nfs/dbraw/zinc/09/04/34/1084090434.db2.gz GTORJVNGHXXZMC-GOEBONIOSA-N 1 1 302.418 2.471 20 10 DECDMO Oc1c(CN2CCN[C@@]3(CC[NH2+]C3)C2)cccc1-c1ccccc1 ZINC001235062106 1084294409 /nfs/dbraw/zinc/29/44/09/1084294409.db2.gz OCCKBKITZYKJQS-HXUWFJFHSA-N 1 1 323.440 2.197 20 10 DECDMO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc(F)cc(Br)c1O ZINC001235449840 1084434211 /nfs/dbraw/zinc/43/42/11/1084434211.db2.gz GVFDEOLGMVRSQZ-DTWKUNHWSA-N 1 1 317.202 2.476 20 10 DECDMO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(O)c(O)c2)C1=O ZINC001272902870 1084455171 /nfs/dbraw/zinc/45/51/71/1084455171.db2.gz IPDNEGYIFXBPBG-GOSISDBHSA-N 1 1 318.417 2.465 20 10 DECDMO CCCCN1CC[C@]2(CCC[N@H+]2Cc2ccc(O)c(O)c2)C1=O ZINC001272902870 1084455174 /nfs/dbraw/zinc/45/51/74/1084455174.db2.gz IPDNEGYIFXBPBG-GOSISDBHSA-N 1 1 318.417 2.465 20 10 DECDMO CC(C)(C)c1ccc(C[N@H+]2CC[C@H](O)[C@@](C)(CO)C2)c(O)c1 ZINC001235674954 1084496037 /nfs/dbraw/zinc/49/60/37/1084496037.db2.gz JSXXCRFUMJKKLK-FUHWJXTLSA-N 1 1 307.434 2.255 20 10 DECDMO C[C@H](C[S@](C)=O)[N@H+](C)Cc1c(O)cccc1Br ZINC000707141646 1086658847 /nfs/dbraw/zinc/65/88/47/1086658847.db2.gz FPQBLUGOOPBXRQ-XLFHBGCDSA-N 1 1 320.252 2.354 20 10 DECDMO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1c(O)cccc1Br ZINC000707141646 1086658853 /nfs/dbraw/zinc/65/88/53/1086658853.db2.gz FPQBLUGOOPBXRQ-XLFHBGCDSA-N 1 1 320.252 2.354 20 10 DECDMO COc1cccc(C[NH+]2CC3(CCN3Cc3ccc[nH]3)C2)c1O ZINC001275273242 1091647391 /nfs/dbraw/zinc/64/73/91/1091647391.db2.gz LODRLGDZILJZBI-UHFFFAOYSA-N 1 1 313.401 2.189 20 10 DECDMO Oc1ccc(CN2CC3(C2)CC[N@@H+](Cc2ccc[nH]2)C3)c(O)c1 ZINC001275952993 1092372103 /nfs/dbraw/zinc/37/21/03/1092372103.db2.gz RFIIPSZBSLBXFE-UHFFFAOYSA-N 1 1 313.401 2.134 20 10 DECDMO Oc1ccc(C[NH+]2CC3(C2)CCN(Cc2ccc[nH]2)C3)c(O)c1 ZINC001275952993 1092372116 /nfs/dbraw/zinc/37/21/16/1092372116.db2.gz RFIIPSZBSLBXFE-UHFFFAOYSA-N 1 1 313.401 2.134 20 10 DECDMO COc1cc(CN2CC3(CC[N@H+]3C3CCCC3)C2)cc(O)c1O ZINC001275962472 1092379756 /nfs/dbraw/zinc/37/97/56/1092379756.db2.gz HAGUQIVUMRTKGJ-UHFFFAOYSA-N 1 1 318.417 2.309 20 10 DECDMO COCC[N@@H+](C)Cc1cc(OC)c(Br)cc1O ZINC001236745061 1138406544 /nfs/dbraw/zinc/40/65/44/1138406544.db2.gz MCVRBJONYWIUNU-UHFFFAOYSA-N 1 1 304.184 2.242 20 10 DECDMO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236750327 1138407709 /nfs/dbraw/zinc/40/77/09/1138407709.db2.gz RDNCIAWHOHYIBT-VXGBXAGGSA-N 1 1 323.389 2.183 20 10 DECDMO COC(=O)CC[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC001236751818 1138407722 /nfs/dbraw/zinc/40/77/22/1138407722.db2.gz JTYQKBWTIRPTBZ-LBPRGKRZSA-N 1 1 323.389 2.185 20 10 DECDMO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c(O)c1Cl ZINC001236801361 1138431859 /nfs/dbraw/zinc/43/18/59/1138431859.db2.gz IPKNHJODFQZQHQ-GHMZBOCLSA-N 1 1 303.761 2.349 20 10 DECDMO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)c(O)c1Cl ZINC001236801361 1138431862 /nfs/dbraw/zinc/43/18/62/1138431862.db2.gz IPKNHJODFQZQHQ-GHMZBOCLSA-N 1 1 303.761 2.349 20 10 DECDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2c(O)cc(OC)cc2Cl)C1 ZINC001236803978 1138433951 /nfs/dbraw/zinc/43/39/51/1138433951.db2.gz RXFIXTUZHLSTGM-JTQLQIEISA-N 1 1 313.781 2.439 20 10 DECDMO COc1cc(C)c(C[N@H+]2CC[C@@H](Oc3cnccn3)C2)c(O)c1 ZINC001236813041 1138437469 /nfs/dbraw/zinc/43/74/69/1138437469.db2.gz FPULYFSYQDORRR-CYBMUJFWSA-N 1 1 315.373 2.153 20 10 DECDMO COc1cc(C)c(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)c(O)c1 ZINC001236822057 1138440270 /nfs/dbraw/zinc/44/02/70/1138440270.db2.gz XPJWYUACVSIAFD-KRWDZBQOSA-N 1 1 305.374 2.381 20 10 DECDMO CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c(O)c1 ZINC001237048751 1138489947 /nfs/dbraw/zinc/48/99/47/1138489947.db2.gz WMKPODFCIMGOHD-BBRMVZONSA-N 1 1 318.417 2.234 20 10 DECDMO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001237053372 1138490620 /nfs/dbraw/zinc/49/06/20/1138490620.db2.gz KSPVJWTXLCGOCL-DGCLKSJQSA-N 1 1 323.286 2.238 20 10 DECDMO C[NH+](C)CCN(CC[NH+](C)C)Cc1c([O-])ccc(F)c1Cl ZINC001237124126 1138508851 /nfs/dbraw/zinc/50/88/51/1138508851.db2.gz JOSCXVONMJRAQU-UHFFFAOYSA-N 1 1 317.836 2.110 20 10 DECDMO CN(C)c1ccc(C[N@@H+]2C[C@H](N)C3(COC3)C2)c2ccccc21 ZINC001237176694 1138515259 /nfs/dbraw/zinc/51/52/59/1138515259.db2.gz SNNDKZLUKBWSGG-SFHVURJKSA-N 1 1 311.429 2.065 20 10 DECDMO CN(C)c1ccc(C[N@H+]2C[C@H](N)C3(COC3)C2)c2ccccc21 ZINC001237176694 1138515268 /nfs/dbraw/zinc/51/52/68/1138515268.db2.gz SNNDKZLUKBWSGG-SFHVURJKSA-N 1 1 311.429 2.065 20 10 DECDMO CCc1n[nH]cc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001237651837 1138739054 /nfs/dbraw/zinc/73/90/54/1138739054.db2.gz ZDUQZAAKKGIBMD-UHFFFAOYSA-N 1 1 314.433 2.441 20 10 DECDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2CO)cc1Br ZINC001237678200 1138751381 /nfs/dbraw/zinc/75/13/81/1138751381.db2.gz WVMZJSQHNCOREK-NSHDSACASA-N 1 1 300.196 2.420 20 10 DECDMO Cc1cc(Cl)cc(C[NH+]2CCN(c3ccncn3)CC2)c1O ZINC001237687244 1138757444 /nfs/dbraw/zinc/75/74/44/1138757444.db2.gz WDHJNWWCCRHBEI-UHFFFAOYSA-N 1 1 318.808 2.466 20 10 DECDMO [O-]c1cc(Cl)c(F)cc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001237935337 1138811078 /nfs/dbraw/zinc/81/10/78/1138811078.db2.gz CLGXWVPBPXJSQB-LBPRGKRZSA-N 1 1 314.788 2.091 20 10 DECDMO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC001237935337 1138811080 /nfs/dbraw/zinc/81/10/80/1138811080.db2.gz CLGXWVPBPXJSQB-LBPRGKRZSA-N 1 1 314.788 2.091 20 10 DECDMO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001237935337 1138811081 /nfs/dbraw/zinc/81/10/81/1138811081.db2.gz CLGXWVPBPXJSQB-LBPRGKRZSA-N 1 1 314.788 2.091 20 10 DECDMO COC(=O)N1CCCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237934239 1138811166 /nfs/dbraw/zinc/81/11/66/1138811166.db2.gz JNGORZVHJDAHGO-UHFFFAOYSA-N 1 1 316.760 2.459 20 10 DECDMO C[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@H](C(N)=O)C1 ZINC001320486234 1140870741 /nfs/dbraw/zinc/87/07/41/1140870741.db2.gz KNSPYMWIWHQUDY-YOEHRIQHSA-N 1 1 301.434 2.373 20 10 DECDMO Nc1cc(NCc2ccc(N3CCSCC3)cc2)nc[nH+]1 ZINC001321566373 1141308646 /nfs/dbraw/zinc/30/86/46/1141308646.db2.gz MTONDMFNFIAHEV-UHFFFAOYSA-N 1 1 301.419 2.224 20 10 DECDMO Nc1cc(NCc2ccc(N3CCSCC3)cc2)[nH+]cn1 ZINC001321566373 1141308655 /nfs/dbraw/zinc/30/86/55/1141308655.db2.gz MTONDMFNFIAHEV-UHFFFAOYSA-N 1 1 301.419 2.224 20 10 DECDMO Nc1ccc(CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001336141017 1142364455 /nfs/dbraw/zinc/36/44/55/1142364455.db2.gz JRMCOJTVVCJTEV-HOTGVXAUSA-N 1 1 302.422 2.085 20 10 DECDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001337019007 1142660706 /nfs/dbraw/zinc/66/07/06/1142660706.db2.gz OUHXIOCEVKOTOH-INIZCTEOSA-N 1 1 316.449 2.142 20 10 DECDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc(N)cc2)C[C@H](C)O1 ZINC001337833580 1142804206 /nfs/dbraw/zinc/80/42/06/1142804206.db2.gz CIBARZMOTAJGBQ-RVKKMQEKSA-N 1 1 303.450 2.342 20 10 DECDMO C[NH+]1CCN(c2ccc(CN3CCC(F)(F)C3)cc2F)CC1 ZINC001254215137 1143059449 /nfs/dbraw/zinc/05/94/49/1143059449.db2.gz DGKOJGZUPYUPOU-UHFFFAOYSA-N 1 1 313.367 2.419 20 10 DECDMO Cc1conc1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001255047299 1143393941 /nfs/dbraw/zinc/39/39/41/1143393941.db2.gz VIIZIFQPCLVCQY-UHFFFAOYSA-N 1 1 304.369 2.486 20 10 DECDMO CCOc1ccc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001255495044 1143714391 /nfs/dbraw/zinc/71/43/91/1143714391.db2.gz MMAKWCZREPGLPL-QGZVFWFLSA-N 1 1 303.450 2.302 20 10 DECDMO CCOc1ccc(N2CC[NH+]([C@@H]3CCCN(C)C3)CC2)cc1 ZINC001255495044 1143714426 /nfs/dbraw/zinc/71/44/26/1143714426.db2.gz MMAKWCZREPGLPL-QGZVFWFLSA-N 1 1 303.450 2.302 20 10 DECDMO CC(C)(C)[NH+]1CCC(NCCc2cc(O)c(O)cc2O)CC1 ZINC001256561231 1143853872 /nfs/dbraw/zinc/85/38/72/1143853872.db2.gz ADRVGXRDOWDMKP-UHFFFAOYSA-N 1 1 308.422 2.198 20 10 DECDMO Oc1cc(O)c(CC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)cc1O ZINC001256900522 1143873470 /nfs/dbraw/zinc/87/34/70/1143873470.db2.gz OBUDVDMIQRNFPA-AWEZNQCLSA-N 1 1 320.433 2.343 20 10 DECDMO Oc1cc(O)c(CC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)cc1O ZINC001256900522 1143873473 /nfs/dbraw/zinc/87/34/73/1143873473.db2.gz OBUDVDMIQRNFPA-AWEZNQCLSA-N 1 1 320.433 2.343 20 10 DECDMO Oc1cc(O)c(CCN[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1O ZINC001256900522 1143873474 /nfs/dbraw/zinc/87/34/74/1143873474.db2.gz OBUDVDMIQRNFPA-AWEZNQCLSA-N 1 1 320.433 2.343 20 10 DECDMO Oc1cc(O)c(CCN[C@H]2CCC[N@H+](C3CCCC3)C2)cc1O ZINC001256900522 1143873476 /nfs/dbraw/zinc/87/34/76/1143873476.db2.gz OBUDVDMIQRNFPA-AWEZNQCLSA-N 1 1 320.433 2.343 20 10 DECDMO CN1CCN(c2ccc(C[NH2+]CCOC3CCCC3)cc2)CC1 ZINC001308251928 1147460668 /nfs/dbraw/zinc/46/06/68/1147460668.db2.gz CIXMFIBPAPWQJV-UHFFFAOYSA-N 1 1 317.477 2.487 20 10 DECDMO CCC[C@@H](CCO)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001308289193 1147464980 /nfs/dbraw/zinc/46/49/80/1147464980.db2.gz GMPGEZLDNWXNBV-KRWDZBQOSA-N 1 1 319.493 2.327 20 10 DECDMO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Cl)c(F)cc2O)[C@@H](C)C1 ZINC000294619710 224123747 /nfs/dbraw/zinc/12/37/47/224123747.db2.gz JCOZPIWMXJNRHW-QWRGUYRKSA-N 1 1 316.804 2.072 20 10 DECDMO C[C@H](O)C[N@H+]1CCN(Cc2cc(Cl)c(F)cc2O)[C@@H](C)C1 ZINC000294619710 224123751 /nfs/dbraw/zinc/12/37/51/224123751.db2.gz JCOZPIWMXJNRHW-QWRGUYRKSA-N 1 1 316.804 2.072 20 10 DECDMO Oc1cc2c(cc1C[N@@H+]1CC[C@H](N3CCCCC3)C1)OCO2 ZINC000264660888 285382033 /nfs/dbraw/zinc/38/20/33/285382033.db2.gz YQWPMJUETJJDFS-AWEZNQCLSA-N 1 1 304.390 2.181 20 10 DECDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](N3CCCCC3)C1)OCO2 ZINC000264660888 285382035 /nfs/dbraw/zinc/38/20/35/285382035.db2.gz YQWPMJUETJJDFS-AWEZNQCLSA-N 1 1 304.390 2.181 20 10 DECDMO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccccc1O ZINC000272926725 130074732 /nfs/dbraw/zinc/07/47/32/130074732.db2.gz YXAGRVKJVVJVPT-QANKJYHBSA-N 1 1 304.434 2.421 20 10 DECDMO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273391873 130116207 /nfs/dbraw/zinc/11/62/07/130116207.db2.gz KVFKMIRQDWFKTC-NWDGAFQWSA-N 1 1 322.405 2.134 20 10 DECDMO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000275420623 130317264 /nfs/dbraw/zinc/31/72/64/130317264.db2.gz DOWLWXZBBFQELE-ZFWWWQNUSA-N 1 1 305.353 2.368 20 10 DECDMO C[N@@H+](Cc1ccccc1O)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000289351824 131376797 /nfs/dbraw/zinc/37/67/97/131376797.db2.gz LCLZOAHSFYLASM-QGZVFWFLSA-N 1 1 324.421 2.100 20 10 DECDMO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)c(O)c1 ZINC000293937801 131784669 /nfs/dbraw/zinc/78/46/69/131784669.db2.gz YJTBAOHKACNIFI-HZPDHXFCSA-N 1 1 305.466 2.296 20 10 DECDMO C[C@H]1SCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000299392012 132103497 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JOZKQKKDNFLKBQ-APWZRJJASA-N 1 1 318.509 2.429 20 10 DECDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](OCCO)C2)cc1F ZINC000862242086 686263833 /nfs/dbraw/zinc/26/38/33/686263833.db2.gz VPBJOVOQIYOHJC-ZDUSSCGKSA-N 1 1 314.376 2.004 20 10 DECDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](OCCO)C2)cc1F ZINC000862242086 686263836 /nfs/dbraw/zinc/26/38/36/686263836.db2.gz VPBJOVOQIYOHJC-ZDUSSCGKSA-N 1 1 314.376 2.004 20 10 DECDMO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)[C@H]1CO ZINC000862336404 686278879 /nfs/dbraw/zinc/27/88/79/686278879.db2.gz DGAABANEGYHVRS-CABZTGNLSA-N 1 1 300.196 2.357 20 10 DECDMO CC[C@H](C)[N@H+](CCO)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000862387662 686289226 /nfs/dbraw/zinc/28/92/26/686289226.db2.gz POLDXCMPYKDVDK-INIZCTEOSA-N 1 1 305.466 2.031 20 10 DECDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000862387662 686289232 /nfs/dbraw/zinc/28/92/32/686289232.db2.gz POLDXCMPYKDVDK-INIZCTEOSA-N 1 1 305.466 2.031 20 10 DECDMO COC(=O)N(C)CC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862416314 686297206 /nfs/dbraw/zinc/29/72/06/686297206.db2.gz PCRKYHXCCBWYJV-UHFFFAOYSA-N 1 1 315.364 2.161 20 10 DECDMO COC(=O)N(C)CC[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862416314 686297210 /nfs/dbraw/zinc/29/72/10/686297210.db2.gz PCRKYHXCCBWYJV-UHFFFAOYSA-N 1 1 315.364 2.161 20 10 DECDMO COc1ccc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)cc1C ZINC000865687130 687302245 /nfs/dbraw/zinc/30/22/45/687302245.db2.gz LXPYGOIYESFZGV-UHFFFAOYSA-N 1 1 316.405 2.306 20 10 DECDMO C[C@@H](NC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1ccccc1O ZINC000868098017 687909630 /nfs/dbraw/zinc/90/96/30/687909630.db2.gz RWPCEIFTMSHNDU-UONOGXRCSA-N 1 1 305.422 2.484 20 10 DECDMO C[C@@H](NC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1O ZINC000868397350 688001338 /nfs/dbraw/zinc/00/13/38/688001338.db2.gz SBEPHIBJOJPEBP-ZOWXZIJZSA-N 1 1 303.406 2.235 20 10 DECDMO C[C@H](NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1O ZINC000868397344 688001774 /nfs/dbraw/zinc/00/17/74/688001774.db2.gz SBEPHIBJOJPEBP-TYNCELHUSA-N 1 1 303.406 2.235 20 10 DECDMO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1O ZINC000868677290 688101378 /nfs/dbraw/zinc/10/13/78/688101378.db2.gz JDUHWAVAWHBSIA-RLAWYHOSSA-N 1 1 303.406 2.378 20 10 DECDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 ZINC000875369423 689614581 /nfs/dbraw/zinc/61/45/81/689614581.db2.gz JHDKHEKTPKIQJW-CQSZACIVSA-N 1 1 317.433 2.395 20 10 DECDMO OCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCCC1 ZINC000876522937 689846015 /nfs/dbraw/zinc/84/60/15/689846015.db2.gz GWUBJFYZDBPTHX-UHFFFAOYSA-N 1 1 318.461 2.385 20 10 DECDMO Cc1ccc(C[N@H+]2CCCN(C[C@H]3CCCO3)CC2)c(O)c1 ZINC000876567622 689859687 /nfs/dbraw/zinc/85/96/87/689859687.db2.gz CODSFMUVBOVKGH-QGZVFWFLSA-N 1 1 304.434 2.387 20 10 DECDMO Cc1ccc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c(O)c1 ZINC000876567622 689859691 /nfs/dbraw/zinc/85/96/91/689859691.db2.gz CODSFMUVBOVKGH-QGZVFWFLSA-N 1 1 304.434 2.387 20 10 DECDMO Cc1ccc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c(O)c1 ZINC000876567622 689859695 /nfs/dbraw/zinc/85/96/95/689859695.db2.gz CODSFMUVBOVKGH-QGZVFWFLSA-N 1 1 304.434 2.387 20 10 DECDMO CC[N@@H+](CCC(=O)OC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876630975 689882241 /nfs/dbraw/zinc/88/22/41/689882241.db2.gz PGPLOVBDCIMDKD-UHFFFAOYSA-N 1 1 320.433 2.033 20 10 DECDMO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876678936 689898895 /nfs/dbraw/zinc/89/88/95/689898895.db2.gz TULYFRVJKBQXTR-UHFFFAOYSA-N 1 1 320.433 2.031 20 10 DECDMO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876678936 689898898 /nfs/dbraw/zinc/89/88/98/689898898.db2.gz TULYFRVJKBQXTR-UHFFFAOYSA-N 1 1 320.433 2.031 20 10 DECDMO Cc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c(O)c1 ZINC000876766794 689931064 /nfs/dbraw/zinc/93/10/64/689931064.db2.gz SGLQDIZQSQUVGH-HOCLYGCPSA-N 1 1 311.447 2.488 20 10 DECDMO CCc1cccc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c1O ZINC000877676679 690187126 /nfs/dbraw/zinc/18/71/26/690187126.db2.gz BJCOOWAFLYLLBV-UHFFFAOYSA-N 1 1 316.405 2.257 20 10 DECDMO CCOC(=O)[C@@]1(C)C[N@H+](Cc2cccc(CC)c2O)CCO1 ZINC000877703902 690197135 /nfs/dbraw/zinc/19/71/35/690197135.db2.gz GEEDURLRLFKWIE-QGZVFWFLSA-N 1 1 307.390 2.109 20 10 DECDMO CCOC(=O)[C@@]1(C)C[N@@H+](Cc2cccc(CC)c2O)CCO1 ZINC000877703902 690197136 /nfs/dbraw/zinc/19/71/36/690197136.db2.gz GEEDURLRLFKWIE-QGZVFWFLSA-N 1 1 307.390 2.109 20 10 DECDMO CNC(=O)C[N@H+](Cc1ccccc1)Cc1cccc(OC)c1O ZINC000877771662 690220934 /nfs/dbraw/zinc/22/09/34/690220934.db2.gz ABURZHIJALXJHM-UHFFFAOYSA-N 1 1 314.385 2.149 20 10 DECDMO CNC(=O)C[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1O ZINC000877771662 690220936 /nfs/dbraw/zinc/22/09/36/690220936.db2.gz ABURZHIJALXJHM-UHFFFAOYSA-N 1 1 314.385 2.149 20 10 DECDMO OC[C@@H]1CSCC[N@H+]1Cc1cc(Br)ccc1O ZINC000877779189 690225236 /nfs/dbraw/zinc/22/52/36/690225236.db2.gz ALNDKBDBNRKXMM-LLVKDONJSA-N 1 1 318.236 2.064 20 10 DECDMO CCc1cccc(C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1O ZINC000877815446 690239018 /nfs/dbraw/zinc/23/90/18/690239018.db2.gz DMDFMLADFRBDKZ-CALCHBBNSA-N 1 1 323.458 2.211 20 10 DECDMO CCN(C#N)CC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000877983255 690278023 /nfs/dbraw/zinc/27/80/23/690278023.db2.gz HRPAZLXYJXMEIX-UHFFFAOYSA-N 1 1 302.422 2.010 20 10 DECDMO C[N@H+](Cc1ccccc1O)C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000878241916 690355824 /nfs/dbraw/zinc/35/58/24/690355824.db2.gz KGNDOSFUQBIHSS-SJLPKXTDSA-N 1 1 301.386 2.309 20 10 DECDMO COCCOc1ncccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882891986 691380489 /nfs/dbraw/zinc/38/04/89/691380489.db2.gz JYAJPEXPCVZILL-UHFFFAOYSA-N 1 1 324.327 2.380 20 10 DECDMO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883002647 691407554 /nfs/dbraw/zinc/40/75/54/691407554.db2.gz LHZMDTYVNRJJCK-GXFFZTMASA-N 1 1 312.360 2.407 20 10 DECDMO COCCC[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883289603 691473459 /nfs/dbraw/zinc/47/34/59/691473459.db2.gz UMTQVMVYGDPANF-MRXNPFEDSA-N 1 1 305.466 2.343 20 10 DECDMO CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+](CC2CC2)C1 ZINC001044352827 691811237 /nfs/dbraw/zinc/81/12/37/691811237.db2.gz SZQPONQMOCGRRX-UHFFFAOYSA-N 1 1 315.377 2.015 20 10 DECDMO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1c(O)cccc1F ZINC000886551484 692107996 /nfs/dbraw/zinc/10/79/96/692107996.db2.gz IVQDEOYVYCJSIH-JTQLQIEISA-N 1 1 301.383 2.007 20 10 DECDMO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cn(C)cn1 ZINC000924710513 693175641 /nfs/dbraw/zinc/17/56/41/693175641.db2.gz LXUBSBYUTJGUDQ-ZDUSSCGKSA-N 1 1 318.396 2.247 20 10 DECDMO C[C@H]1COC[C@H](C)C1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000926855422 693518575 /nfs/dbraw/zinc/51/85/75/693518575.db2.gz UFMSURGQYCAUDP-HOTGVXAUSA-N 1 1 317.477 2.199 20 10 DECDMO C[C@H]1C[N@H+](Cc2ccc(N)cc2)CCN1C(=O)c1cscn1 ZINC001356083170 1152056572 /nfs/dbraw/zinc/05/65/72/1152056572.db2.gz LRORMKFSBMBLBM-LBPRGKRZSA-N 1 1 316.430 2.072 20 10 DECDMO C[C@H]1C[N@@H+](Cc2ccc(N)cc2)CCN1C(=O)c1cscn1 ZINC001356083170 1152056576 /nfs/dbraw/zinc/05/65/76/1152056576.db2.gz LRORMKFSBMBLBM-LBPRGKRZSA-N 1 1 316.430 2.072 20 10 DECDMO CC[NH+]1CCN(c2ccc(CN3CCOC(C)(C)C3)cc2)CC1 ZINC001140300755 777039510 /nfs/dbraw/zinc/03/95/10/777039510.db2.gz RGPNAZYSKFZWQL-UHFFFAOYSA-N 1 1 317.477 2.439 20 10 DECDMO CCN(C)c1nc(NCCc2cc(O)c(O)cc2O)[nH+]cc1C ZINC001168008900 779292772 /nfs/dbraw/zinc/29/27/72/779292772.db2.gz DUBFXWZSCGBRKY-UHFFFAOYSA-N 1 1 318.377 2.013 20 10 DECDMO C[NH+](C)C1CN(Cc2cc(Br)c(F)cc2O)C1 ZINC001144299490 790849566 /nfs/dbraw/zinc/84/95/66/790849566.db2.gz YFBKCECQYKSUFM-UHFFFAOYSA-N 1 1 303.175 2.040 20 10 DECDMO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515843 790943661 /nfs/dbraw/zinc/94/36/61/790943661.db2.gz GUDHLVILBWUQAQ-CYBMUJFWSA-N 1 1 316.357 2.160 20 10 DECDMO CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144515606 790943914 /nfs/dbraw/zinc/94/39/14/790943914.db2.gz SGLRCVNIBFBLFW-NSHDSACASA-N 1 1 323.389 2.357 20 10 DECDMO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)C1 ZINC001169039890 785014048 /nfs/dbraw/zinc/01/40/48/785014048.db2.gz VKFBVWFIOPFHQA-BXUZGUMPSA-N 1 1 306.362 2.291 20 10 DECDMO CCN1CCC([NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001169244178 785110750 /nfs/dbraw/zinc/11/07/50/785110750.db2.gz GFCGTZUFWHSBJU-UHFFFAOYSA-N 1 1 303.450 2.302 20 10 DECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172240158 793381914 /nfs/dbraw/zinc/38/19/14/793381914.db2.gz IMPSAZDGKIUKBT-YQQQUEKLSA-N 1 1 314.429 2.441 20 10 DECDMO C[C@@H]1CN(Cc2cc(Br)c(F)cc2O)CC[NH2+]1 ZINC001206389864 795154221 /nfs/dbraw/zinc/15/42/21/795154221.db2.gz UNHQIMKXUWNMAJ-MRVPVSSYSA-N 1 1 303.175 2.088 20 10 DECDMO C[NH2+][C@H](C)CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC001118121743 795156586 /nfs/dbraw/zinc/15/65/86/795156586.db2.gz IFEMIEJPJZJYEY-ZIAGYGMSSA-N 1 1 309.429 2.311 20 10 DECDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CC[C@H]2N1 ZINC001118568870 795201119 /nfs/dbraw/zinc/20/11/19/795201119.db2.gz ZHAFBXCPTWLXAZ-FUHWJXTLSA-N 1 1 313.445 2.387 20 10 DECDMO CN(C)c1ccc(/C=C/C(=O)NC2CC[NH+](CCF)CC2)cc1 ZINC001180129851 795238581 /nfs/dbraw/zinc/23/85/81/795238581.db2.gz KCBFZCJFVCGVGS-VMPITWQZSA-N 1 1 319.424 2.316 20 10 DECDMO CCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)Cc1ccccc1O ZINC001121707813 795677797 /nfs/dbraw/zinc/67/77/97/795677797.db2.gz YVFKMDNDRZJJBZ-CQSZACIVSA-N 1 1 315.421 2.407 20 10 DECDMO CCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)Cc1ccccc1O ZINC001121707813 795677803 /nfs/dbraw/zinc/67/78/03/795677803.db2.gz YVFKMDNDRZJJBZ-CQSZACIVSA-N 1 1 315.421 2.407 20 10 DECDMO CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001138127149 796168087 /nfs/dbraw/zinc/16/80/87/796168087.db2.gz QIQBBBSXWVGUBN-ZDUSSCGKSA-N 1 1 306.381 2.222 20 10 DECDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359577 796205233 /nfs/dbraw/zinc/20/52/33/796205233.db2.gz USNYZIGEYCZIIC-SFHVURJKSA-N 1 1 302.418 2.454 20 10 DECDMO CCN(CC)c1ccc(CN2C[C@@H]3C[C@H]2C[N@H+]3C)c(OC)c1 ZINC001138392142 796211759 /nfs/dbraw/zinc/21/17/59/796211759.db2.gz RRXCDLFNCQKJNP-IRXDYDNUSA-N 1 1 303.450 2.430 20 10 DECDMO C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1CO ZINC001138496460 796226950 /nfs/dbraw/zinc/22/69/50/796226950.db2.gz 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Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000896860198 638734218 /nfs/dbraw/zinc/73/42/18/638734218.db2.gz XWKAQUWQFUHVBI-BFVZDQMLSA-N 1 1 301.745 2.078 20 10 DECDMO Nc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000841298910 650471248 /nfs/dbraw/zinc/47/12/48/650471248.db2.gz UHDXYTLUIYNSBS-CVEARBPZSA-N 1 1 318.421 2.034 20 10 DECDMO COCC[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000127110389 639139795 /nfs/dbraw/zinc/13/97/95/639139795.db2.gz IZXRPPNDXIJMKS-UHFFFAOYSA-N 1 1 304.184 2.242 20 10 DECDMO Cn1cnc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000788018852 639235883 /nfs/dbraw/zinc/23/58/83/639235883.db2.gz FWPZGUSGMMFSAB-INIZCTEOSA-N 1 1 301.390 2.307 20 10 DECDMO Cn1cnc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000788018852 639235884 /nfs/dbraw/zinc/23/58/84/639235884.db2.gz FWPZGUSGMMFSAB-INIZCTEOSA-N 1 1 301.390 2.307 20 10 DECDMO CN(C)c1ccc(C[N@@H+](C)C(C)(C)CN2CCOCC2)cc1 ZINC000839673103 639800571 /nfs/dbraw/zinc/80/05/71/639800571.db2.gz DPVIKJWZNIZEJL-UHFFFAOYSA-N 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CC(C)(C)C[N@@H+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000769336887 641219877 /nfs/dbraw/zinc/21/98/77/641219877.db2.gz CZIRVTOMSVXWDE-UHFFFAOYSA-N 1 1 306.450 2.364 20 10 DECDMO COc1cccc(O)c1C[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000769461163 641243884 /nfs/dbraw/zinc/24/38/84/641243884.db2.gz PORYKJUARNKXKU-UHFFFAOYSA-N 1 1 306.406 2.232 20 10 DECDMO COc1cccc(O)c1C[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000769461163 641243888 /nfs/dbraw/zinc/24/38/88/641243888.db2.gz PORYKJUARNKXKU-UHFFFAOYSA-N 1 1 306.406 2.232 20 10 DECDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cccc(F)c2O)cc1 ZINC000841046250 641478542 /nfs/dbraw/zinc/47/85/42/641478542.db2.gz YMJZJFXABGFVTO-MRXNPFEDSA-N 1 1 303.381 2.387 20 10 DECDMO CCC(O)(CC)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771819966 641554775 /nfs/dbraw/zinc/55/47/75/641554775.db2.gz ZGVZATVQYZKAFB-UHFFFAOYSA-N 1 1 305.466 2.079 20 10 DECDMO CCN(C)c1ccc(C[NH+]2CCN(C(=O)C3CC3)CC2)cc1 ZINC000773733771 641817643 /nfs/dbraw/zinc/81/76/43/641817643.db2.gz MHGUZCAMTXSGPZ-UHFFFAOYSA-N 1 1 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COc1c(O)c(C[NH2+]CCN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000278876296 402880751 /nfs/dbraw/zinc/88/07/51/402880751.db2.gz NKQOBUMYZQWFBH-UHFFFAOYSA-N 1 1 323.393 2.275 20 10 DECDMO COC(=O)[C@@]1(F)CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000271821293 402884387 /nfs/dbraw/zinc/88/43/87/402884387.db2.gz NHTAMWSAWMFEIP-CQSZACIVSA-N 1 1 301.745 2.441 20 10 DECDMO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000271821293 402884388 /nfs/dbraw/zinc/88/43/88/402884388.db2.gz NHTAMWSAWMFEIP-CQSZACIVSA-N 1 1 301.745 2.441 20 10 DECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N(C)C2CC2)c1 ZINC000273465106 403006790 /nfs/dbraw/zinc/00/67/90/403006790.db2.gz DOSUGQXBJQQALK-RYUDHWBXSA-N 1 1 306.406 2.312 20 10 DECDMO CCOC(=O)[C@@H](CC)[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000276209011 403154227 /nfs/dbraw/zinc/15/42/27/403154227.db2.gz OXDOZVPXMMWMIF-CYBMUJFWSA-N 1 1 321.373 2.427 20 10 DECDMO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000276209011 403154230 /nfs/dbraw/zinc/15/42/30/403154230.db2.gz 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