smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC001648815020 1081928160 /nfs/dbraw/zinc/92/81/60/1081928160.db2.gz YRPBFFCZGFEMEF-CALCHBBNSA-N 2 1 316.489 3.469 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCN1c1cc[nH+]cc1 ZINC001183532573 1083971378 /nfs/dbraw/zinc/97/13/78/1083971378.db2.gz DSNPVVHPPSZQJC-ZDUSSCGKSA-N 2 1 317.820 3.151 20 10 DGCDMP C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1C ZINC001116443244 1090649567 /nfs/dbraw/zinc/64/95/67/1090649567.db2.gz LLDGTPZXTDPDEI-CVEARBPZSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1C ZINC001116443244 1090649571 /nfs/dbraw/zinc/64/95/71/1090649571.db2.gz LLDGTPZXTDPDEI-CVEARBPZSA-N 2 1 319.468 3.198 20 10 DGCDMP Oc1ccccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001203560831 1090757307 /nfs/dbraw/zinc/75/73/07/1090757307.db2.gz HDZOMLYEMDZSAV-ICSRJNTNSA-N 2 1 322.452 3.346 20 10 DGCDMP Oc1ccccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001203560831 1090757311 /nfs/dbraw/zinc/75/73/11/1090757311.db2.gz HDZOMLYEMDZSAV-ICSRJNTNSA-N 2 1 322.452 3.346 20 10 DGCDMP Oc1ccccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001203560831 1090757316 /nfs/dbraw/zinc/75/73/16/1090757316.db2.gz HDZOMLYEMDZSAV-ICSRJNTNSA-N 2 1 322.452 3.346 20 10 DGCDMP COc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1O ZINC001203596009 1090764186 /nfs/dbraw/zinc/76/41/86/1090764186.db2.gz YIUOVXJAWOMHQY-QGZVFWFLSA-N 2 1 318.461 3.241 20 10 DGCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(OC)c2O)CC1 ZINC001203601763 1090765281 /nfs/dbraw/zinc/76/52/81/1090765281.db2.gz KFKVPWAZACVPDW-UHFFFAOYSA-N 2 1 306.450 3.097 20 10 DGCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)cc2O)CC1 ZINC001203634939 1090770026 /nfs/dbraw/zinc/77/00/26/1090770026.db2.gz BXZMDCLHAQMMNG-UHFFFAOYSA-N 2 1 306.450 3.097 20 10 DGCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N(CC)CC)cc3)C[C@@H]2C1 ZINC001203946560 1090847963 /nfs/dbraw/zinc/84/79/63/1090847963.db2.gz VPSIPDGCCAYZPY-KDURUIRLSA-N 2 1 315.505 3.306 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N(CC)CC)cc3)C[C@@H]2C1 ZINC001203946560 1090847968 /nfs/dbraw/zinc/84/79/68/1090847968.db2.gz VPSIPDGCCAYZPY-KDURUIRLSA-N 2 1 315.505 3.306 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N(CC)CC)cc3)C[C@@H]2C1 ZINC001203946560 1090847975 /nfs/dbraw/zinc/84/79/75/1090847975.db2.gz VPSIPDGCCAYZPY-KDURUIRLSA-N 2 1 315.505 3.306 20 10 DGCDMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001205578512 1091265513 /nfs/dbraw/zinc/26/55/13/1091265513.db2.gz DQLAGXXWCYPYRM-AWEZNQCLSA-N 2 1 321.223 3.352 20 10 DGCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001205578512 1091265518 /nfs/dbraw/zinc/26/55/18/1091265518.db2.gz DQLAGXXWCYPYRM-AWEZNQCLSA-N 2 1 321.223 3.352 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@@H]1C[NH3+] ZINC001205625963 1091286098 /nfs/dbraw/zinc/28/60/98/1091286098.db2.gz DAOWPOLOGIBUBR-HUUCEWRRSA-N 2 1 304.478 3.497 20 10 DGCDMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001205904958 1091403793 /nfs/dbraw/zinc/40/37/93/1091403793.db2.gz YUAFNBPIKTXGIK-HZPDHXFCSA-N 2 1 311.473 3.465 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139255251 1091502355 /nfs/dbraw/zinc/50/23/55/1091502355.db2.gz OMRLRZZXBLQKBE-LSDHHAIUSA-N 2 1 320.477 3.330 20 10 DGCDMP COc1cc(C[N@H+]2CCCC3(CCC3)C2)cc(C[NH+](C)C)c1O ZINC001139260969 1091503901 /nfs/dbraw/zinc/50/39/01/1091503901.db2.gz QSYOTZBVRUWHTR-UHFFFAOYSA-N 2 1 318.461 3.229 20 10 DGCDMP C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139411427 1091551978 /nfs/dbraw/zinc/55/19/78/1091551978.db2.gz LFQKCSCFPZYRLW-UAPYVXQJSA-N 2 1 315.505 3.449 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@H+]3CCCC[C@H](C[NH3+])C3)c2c1 ZINC001206639904 1092879455 /nfs/dbraw/zinc/87/94/55/1092879455.db2.gz GEPMFMZEWNCQJX-CQSZACIVSA-N 2 1 314.429 3.115 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1F ZINC001119990900 1094338258 /nfs/dbraw/zinc/33/82/58/1094338258.db2.gz YTAVELKVBXGJPE-YESZJQIVSA-N 2 1 319.468 3.054 20 10 DGCDMP Cc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(O)c1 ZINC001222167828 1095473384 /nfs/dbraw/zinc/47/33/84/1095473384.db2.gz SKNVQYKPVLFORL-IBGZPJMESA-N 2 1 302.462 3.446 20 10 DGCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H]1C ZINC001116443245 1095555043 /nfs/dbraw/zinc/55/50/43/1095555043.db2.gz LLDGTPZXTDPDEI-HOTGVXAUSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1C ZINC001116443245 1095555058 /nfs/dbraw/zinc/55/50/58/1095555058.db2.gz LLDGTPZXTDPDEI-HOTGVXAUSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1C ZINC001116443245 1095555072 /nfs/dbraw/zinc/55/50/72/1095555072.db2.gz LLDGTPZXTDPDEI-HOTGVXAUSA-N 2 1 319.468 3.198 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222629483 1095699660 /nfs/dbraw/zinc/69/96/60/1095699660.db2.gz JEZZPRRZPFHMKR-GASCZTMLSA-N 2 1 302.462 3.121 20 10 DGCDMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(C)n1-c1ccccc1 ZINC001137856327 1095766207 /nfs/dbraw/zinc/76/62/07/1095766207.db2.gz ZJYYBUYWANNPKC-QUCCMNQESA-N 2 1 323.484 3.478 20 10 DGCDMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(C)n1-c1ccccc1 ZINC001137856327 1095766213 /nfs/dbraw/zinc/76/62/13/1095766213.db2.gz ZJYYBUYWANNPKC-QUCCMNQESA-N 2 1 323.484 3.478 20 10 DGCDMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(C)n1-c1ccccc1 ZINC001137856327 1095766223 /nfs/dbraw/zinc/76/62/23/1095766223.db2.gz ZJYYBUYWANNPKC-QUCCMNQESA-N 2 1 323.484 3.478 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001234999620 1098743879 /nfs/dbraw/zinc/74/38/79/1098743879.db2.gz NEEUDKOFLKUODX-LJQANCHMSA-N 2 1 302.462 3.265 20 10 DGCDMP Oc1ccccc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235363824 1098981655 /nfs/dbraw/zinc/98/16/55/1098981655.db2.gz KFEWILNDOSPVRY-PZJWPPBQSA-N 2 1 322.452 3.145 20 10 DGCDMP Oc1ccccc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235363822 1098982033 /nfs/dbraw/zinc/98/20/33/1098982033.db2.gz KFEWILNDOSPVRY-CTNGQTDRSA-N 2 1 322.452 3.145 20 10 DGCDMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(N)cc4)C[C@@H]3C2)cc1 ZINC001235520789 1099071887 /nfs/dbraw/zinc/07/18/87/1099071887.db2.gz XZHIMFJGHUGJNV-BGYRXZFFSA-N 2 1 321.468 3.141 20 10 DGCDMP CCC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C1CC[NH2+]CC1 ZINC001236184176 1099453191 /nfs/dbraw/zinc/45/31/91/1099453191.db2.gz GCJUFMQMYUAJDM-UHFFFAOYSA-N 2 1 316.367 3.375 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)Cc2cc3c(s2)C[NH2+]CC3)cc1 ZINC001236189790 1099456933 /nfs/dbraw/zinc/45/69/33/1099456933.db2.gz NRWBIRYIBISVQI-UHFFFAOYSA-N 2 1 315.486 3.092 20 10 DGCDMP C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220449 1099477977 /nfs/dbraw/zinc/47/79/77/1099477977.db2.gz ZFCHZGNVENKZGW-HZPDHXFCSA-N 2 1 316.445 3.278 20 10 DGCDMP C[N@@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236220449 1099477985 /nfs/dbraw/zinc/47/79/85/1099477985.db2.gz ZFCHZGNVENKZGW-HZPDHXFCSA-N 2 1 316.445 3.278 20 10 DGCDMP C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236222138 1099480368 /nfs/dbraw/zinc/48/03/68/1099480368.db2.gz LEBMFGKNIFACQK-WGSAOQKQSA-N 2 1 313.489 3.087 20 10 DGCDMP Cc1cccc(O)c1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374633 1099561160 /nfs/dbraw/zinc/56/11/60/1099561160.db2.gz FOQJIKOFTJAARO-INIZCTEOSA-N 2 1 302.462 3.445 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468764 1099628500 /nfs/dbraw/zinc/62/85/00/1099628500.db2.gz MCOQNHOZHOTVDS-LJQANCHMSA-N 2 1 303.494 3.495 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236468764 1099628502 /nfs/dbraw/zinc/62/85/02/1099628502.db2.gz MCOQNHOZHOTVDS-LJQANCHMSA-N 2 1 303.494 3.495 20 10 DGCDMP COc1cc(C)c(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236662663 1099730911 /nfs/dbraw/zinc/73/09/11/1099730911.db2.gz LKTIZSAPKQFYFT-INIZCTEOSA-N 2 1 318.461 3.206 20 10 DGCDMP COc1cc(C)c(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236662663 1099730918 /nfs/dbraw/zinc/73/09/18/1099730918.db2.gz LKTIZSAPKQFYFT-INIZCTEOSA-N 2 1 318.461 3.206 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CCc2ccccc21 ZINC001237257589 1100050219 /nfs/dbraw/zinc/05/02/19/1100050219.db2.gz HOYLWSGVCVIIOF-NRFANRHFSA-N 2 1 321.468 3.216 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1O ZINC001237408159 1100115294 /nfs/dbraw/zinc/11/52/94/1100115294.db2.gz YYZOSOIEPIIHDK-WMLDXEAASA-N 2 1 302.462 3.264 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237418593 1100121920 /nfs/dbraw/zinc/12/19/20/1100121920.db2.gz XPKLHXSQEYNDQU-RHSMWYFYSA-N 2 1 302.462 3.264 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@@H]1CC[NH3+] ZINC001326465728 1103327569 /nfs/dbraw/zinc/32/75/69/1103327569.db2.gz WIIKHYJAHVXZDP-VQIMIIECSA-N 2 1 301.478 3.236 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246924888 1104739731 /nfs/dbraw/zinc/73/97/31/1104739731.db2.gz NKLDCNRBXSHGLR-GOSISDBHSA-N 2 1 301.478 3.249 20 10 DGCDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001275959464 1104968499 /nfs/dbraw/zinc/96/84/99/1104968499.db2.gz AZNVQLDQUAIGFZ-HXUWFJFHSA-N 2 1 313.489 3.205 20 10 DGCDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001275959464 1104968502 /nfs/dbraw/zinc/96/85/02/1104968502.db2.gz AZNVQLDQUAIGFZ-HXUWFJFHSA-N 2 1 313.489 3.205 20 10 DGCDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001275959464 1104968507 /nfs/dbraw/zinc/96/85/07/1104968507.db2.gz AZNVQLDQUAIGFZ-HXUWFJFHSA-N 2 1 313.489 3.205 20 10 DGCDMP Cc1ccc(C)c(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1O ZINC001275965710 1104970933 /nfs/dbraw/zinc/97/09/33/1104970933.db2.gz NICFGBSEVBXOFL-UHFFFAOYSA-N 2 1 302.462 3.317 20 10 DGCDMP CN(C)c1ccc(C[N@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001255682671 1106293400 /nfs/dbraw/zinc/29/34/00/1106293400.db2.gz KEJDTJPOFKHQKZ-DFNIBXOVSA-N 2 1 301.478 3.200 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001255682671 1106293404 /nfs/dbraw/zinc/29/34/04/1106293404.db2.gz KEJDTJPOFKHQKZ-DFNIBXOVSA-N 2 1 301.478 3.200 20 10 DGCDMP CN(C)c1ccc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001255682671 1106293409 /nfs/dbraw/zinc/29/34/09/1106293409.db2.gz KEJDTJPOFKHQKZ-DFNIBXOVSA-N 2 1 301.478 3.200 20 10 DGCDMP CN(C)c1ccc(C[NH+](C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255682671 1106293414 /nfs/dbraw/zinc/29/34/14/1106293414.db2.gz KEJDTJPOFKHQKZ-DFNIBXOVSA-N 2 1 301.478 3.200 20 10 DGCDMP CCC(C)(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321104572 1107249598 /nfs/dbraw/zinc/24/95/98/1107249598.db2.gz GXWLUFIJYXNZLU-UHFFFAOYSA-N 2 1 307.457 3.103 20 10 DGCDMP CCc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c1O ZINC001308917670 1111493562 /nfs/dbraw/zinc/49/35/62/1111493562.db2.gz DMWWBGSVTKOPPF-OAHLLOKOSA-N 2 1 311.429 3.060 20 10 DGCDMP Cc1ccc(O)c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000103854867 432013106 /nfs/dbraw/zinc/01/31/06/432013106.db2.gz SMJAYUHPBKNGAA-UHFFFAOYSA-N 2 1 310.441 3.455 20 10 DGCDMP CCCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c(O)c1 ZINC000179836353 432071899 /nfs/dbraw/zinc/07/18/99/432071899.db2.gz YKPVTHASBIETQM-UHFFFAOYSA-N 2 1 306.450 3.143 20 10 DGCDMP CCOc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000093563843 193268148 /nfs/dbraw/zinc/26/81/48/193268148.db2.gz WVRQIQYWBBXSCW-KRWDZBQOSA-N 2 1 318.461 3.241 20 10 DGCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093564089 193269713 /nfs/dbraw/zinc/26/97/13/193269713.db2.gz XJSUAPRBOBQQAX-QGZVFWFLSA-N 2 1 318.461 3.241 20 10 DGCDMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273563836 130136561 /nfs/dbraw/zinc/13/65/61/130136561.db2.gz IVZDIBCKGLEEAM-INIZCTEOSA-N 2 1 320.477 3.161 20 10 DGCDMP COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000273607979 130143120 /nfs/dbraw/zinc/14/31/20/130143120.db2.gz UWYFWZQTJJMDPG-ZDUSSCGKSA-N 2 1 304.434 3.068 20 10 DGCDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177974477 228336332 /nfs/dbraw/zinc/33/63/32/228336332.db2.gz JPAVXLSUMFIYAD-GPMSIDNRSA-N 2 1 301.478 3.105 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000174515380 432353624 /nfs/dbraw/zinc/35/36/24/432353624.db2.gz DWQDAIPIKVNASQ-ZBFHGGJFSA-N 2 1 307.457 3.244 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000174515380 432353629 /nfs/dbraw/zinc/35/36/29/432353629.db2.gz DWQDAIPIKVNASQ-ZBFHGGJFSA-N 2 1 307.457 3.244 20 10 DGCDMP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(N(C)C)cc1 ZINC000278913153 432916970 /nfs/dbraw/zinc/91/69/70/432916970.db2.gz GZYALINIOSFROP-CRAIPNDOSA-N 2 1 312.461 3.252 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(O)c1 ZINC000290401519 433046904 /nfs/dbraw/zinc/04/69/04/433046904.db2.gz JJUAJSPHJCFYOK-YJBOKZPZSA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(O)c1 ZINC000290401519 433046910 /nfs/dbraw/zinc/04/69/10/433046910.db2.gz JJUAJSPHJCFYOK-YJBOKZPZSA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(O)c1 ZINC000290401519 433046916 /nfs/dbraw/zinc/04/69/16/433046916.db2.gz JJUAJSPHJCFYOK-YJBOKZPZSA-N 2 1 318.461 3.097 20 10 DGCDMP CCOc1ccc(O)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000375997977 433637004 /nfs/dbraw/zinc/63/70/04/433637004.db2.gz DMXRXFHDQYWTMY-UHFFFAOYSA-N 2 1 318.461 3.099 20 10 DGCDMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000287534716 434389178 /nfs/dbraw/zinc/38/91/78/434389178.db2.gz PCOKPDIZORSUQK-RHSMWYFYSA-N 2 1 324.440 3.073 20 10 DGCDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000161509401 525294128 /nfs/dbraw/zinc/29/41/28/525294128.db2.gz IENXTPRZMQNTKJ-INIZCTEOSA-N 2 1 301.478 3.422 20 10 DGCDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)CC1 ZINC000179564206 528251610 /nfs/dbraw/zinc/25/16/10/528251610.db2.gz TZFCJAODVGYNAK-KRWDZBQOSA-N 2 1 302.462 3.336 20 10 DGCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000743387916 575048388 /nfs/dbraw/zinc/04/83/88/575048388.db2.gz PLSNRZGUKQXPAA-OAHLLOKOSA-N 2 1 313.445 3.104 20 10 DGCDMP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000853239253 620681067 /nfs/dbraw/zinc/68/10/67/620681067.db2.gz CVWNBAXPMOPASN-HOCLYGCPSA-N 2 1 318.461 3.173 20 10 DGCDMP CCOc1cccc(C[NH+]2CCC(CC)([NH+]3CCC3)CC2)c1O ZINC000895828790 618839004 /nfs/dbraw/zinc/83/90/04/618839004.db2.gz YQELOGLINXUPCD-UHFFFAOYSA-N 2 1 318.461 3.241 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858179553 621162174 /nfs/dbraw/zinc/16/21/74/621162174.db2.gz NWTPWPKHXGRDBL-WMZOPIPTSA-N 2 1 317.521 3.454 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1N(C)C ZINC000923327622 621176502 /nfs/dbraw/zinc/17/65/02/621176502.db2.gz DWEFTRFJKUNNKB-ROUUACIJSA-N 2 1 301.478 3.025 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C(C)(C)C)C3)cc2)CC1 ZINC000753592657 621452468 /nfs/dbraw/zinc/45/24/68/621452468.db2.gz ZMHFOYPUUBPPTC-GOSISDBHSA-N 2 1 315.505 3.306 20 10 DGCDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000769516421 622537487 /nfs/dbraw/zinc/53/74/87/622537487.db2.gz UWIKJASKZZIUJY-AWEZNQCLSA-N 2 1 308.853 3.209 20 10 DGCDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000769516421 622537488 /nfs/dbraw/zinc/53/74/88/622537488.db2.gz UWIKJASKZZIUJY-AWEZNQCLSA-N 2 1 308.853 3.209 20 10 DGCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000769516421 622537491 /nfs/dbraw/zinc/53/74/91/622537491.db2.gz UWIKJASKZZIUJY-AWEZNQCLSA-N 2 1 308.853 3.209 20 10 DGCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000769516421 622537492 /nfs/dbraw/zinc/53/74/92/622537492.db2.gz UWIKJASKZZIUJY-AWEZNQCLSA-N 2 1 308.853 3.209 20 10 DGCDMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000123820133 622714872 /nfs/dbraw/zinc/71/48/72/622714872.db2.gz YGUKFMMUXZAAFP-UHFFFAOYSA-N 2 1 307.457 3.198 20 10 DGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000123820133 622714877 /nfs/dbraw/zinc/71/48/77/622714877.db2.gz YGUKFMMUXZAAFP-UHFFFAOYSA-N 2 1 307.457 3.198 20 10 DGCDMP COc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(O)cc1C ZINC000872645582 622947779 /nfs/dbraw/zinc/94/77/79/622947779.db2.gz RUALWJQFSMUGET-UHFFFAOYSA-N 2 1 318.461 3.160 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1C(C)C ZINC000872725336 622960886 /nfs/dbraw/zinc/96/08/86/622960886.db2.gz RSLOWICQZYQYLT-QAPCUYQASA-N 2 1 302.462 3.350 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1C(C)C ZINC000872725336 622960889 /nfs/dbraw/zinc/96/08/89/622960889.db2.gz RSLOWICQZYQYLT-QAPCUYQASA-N 2 1 302.462 3.350 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1C(C)C ZINC000872725336 622960892 /nfs/dbraw/zinc/96/08/92/622960892.db2.gz RSLOWICQZYQYLT-QAPCUYQASA-N 2 1 302.462 3.350 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000773753963 623067925 /nfs/dbraw/zinc/06/79/25/623067925.db2.gz NVVAZFBOMWLDBI-SFHVURJKSA-N 2 1 301.478 3.060 20 10 DGCDMP CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000773757072 623068433 /nfs/dbraw/zinc/06/84/33/623068433.db2.gz YIFRJURBCFGZNN-QFBILLFUSA-N 2 1 303.494 3.447 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000773757072 623068438 /nfs/dbraw/zinc/06/84/38/623068438.db2.gz YIFRJURBCFGZNN-QFBILLFUSA-N 2 1 303.494 3.447 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000773757072 623068443 /nfs/dbraw/zinc/06/84/43/623068443.db2.gz YIFRJURBCFGZNN-QFBILLFUSA-N 2 1 303.494 3.447 20 10 DGCDMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1O ZINC000775504315 623281474 /nfs/dbraw/zinc/28/14/74/623281474.db2.gz XKDWXNWWDHYGRK-AEFFLSMTSA-N 2 1 318.461 3.076 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]3c3ccccc3)cc2)CC1 ZINC000775634735 623299266 /nfs/dbraw/zinc/29/92/66/623299266.db2.gz VUINDJRUAJNPIC-NRFANRHFSA-N 2 1 321.468 3.385 20 10 DGCDMP CC(C)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775652773 623304357 /nfs/dbraw/zinc/30/43/57/623304357.db2.gz SLCBNAQRIPZJEN-FQEVSTJZSA-N 2 1 315.505 3.449 20 10 DGCDMP CC(C)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775653688 623304841 /nfs/dbraw/zinc/30/48/41/623304841.db2.gz MSLYUVPASZYZKL-UHFFFAOYSA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775999001 623362104 /nfs/dbraw/zinc/36/21/04/623362104.db2.gz UFJFFVLXGRDFAG-QGZVFWFLSA-N 2 1 301.478 3.060 20 10 DGCDMP Cc1cccc(O)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877486782 623907901 /nfs/dbraw/zinc/90/79/01/623907901.db2.gz NKIUIXWPQIMGNR-GOSISDBHSA-N 2 1 310.441 3.312 20 10 DGCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000877741266 624013579 /nfs/dbraw/zinc/01/35/79/624013579.db2.gz AEMUXDSNVKWFNY-AZUAARDMSA-N 2 1 313.489 3.203 20 10 DGCDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000877741266 624013582 /nfs/dbraw/zinc/01/35/82/624013582.db2.gz AEMUXDSNVKWFNY-AZUAARDMSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000877741266 624013583 /nfs/dbraw/zinc/01/35/83/624013583.db2.gz AEMUXDSNVKWFNY-AZUAARDMSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000877741266 624013585 /nfs/dbraw/zinc/01/35/85/624013585.db2.gz AEMUXDSNVKWFNY-AZUAARDMSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CCC(C)(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790988799 625730574 /nfs/dbraw/zinc/73/05/74/625730574.db2.gz AXBZYHXXLDYDHT-UHFFFAOYSA-N 2 1 300.805 3.006 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000796694288 626073901 /nfs/dbraw/zinc/07/39/01/626073901.db2.gz KZNPKPNRUFKILB-VAMGGRTRSA-N 2 1 315.505 3.495 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000796694287 626073931 /nfs/dbraw/zinc/07/39/31/626073931.db2.gz KZNPKPNRUFKILB-AQNXPRMDSA-N 2 1 315.505 3.495 20 10 DGCDMP CN1CCCc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)ccc21 ZINC000796726879 626076567 /nfs/dbraw/zinc/07/65/67/626076567.db2.gz GIUFSKXTQIACGC-GGPKGHCWSA-N 2 1 313.489 3.031 20 10 DGCDMP C[N@H+]1CC[C@H]([NH2+]CCCSc2nccs2)[C@H]2CCC[C@@H]21 ZINC000796772782 626081045 /nfs/dbraw/zinc/08/10/45/626081045.db2.gz VUMDGBSGUJPVKT-RDBSUJKOSA-N 2 1 311.520 3.088 20 10 DGCDMP Oc1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000809703749 626939209 /nfs/dbraw/zinc/93/92/09/626939209.db2.gz PHIZOVJNBBVAOF-OAQYLSRUSA-N 2 1 322.452 3.490 20 10 DGCDMP Oc1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000809703749 626939210 /nfs/dbraw/zinc/93/92/10/626939210.db2.gz PHIZOVJNBBVAOF-OAQYLSRUSA-N 2 1 322.452 3.490 20 10 DGCDMP Oc1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000809703749 626939212 /nfs/dbraw/zinc/93/92/12/626939212.db2.gz PHIZOVJNBBVAOF-OAQYLSRUSA-N 2 1 322.452 3.490 20 10 DGCDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000809750477 626946649 /nfs/dbraw/zinc/94/66/49/626946649.db2.gz XRSWDZXOGXWSPB-UHFFFAOYSA-N 2 1 303.494 3.451 20 10 DGCDMP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1c(O)cccc1F ZINC000886548267 627161051 /nfs/dbraw/zinc/16/10/51/627161051.db2.gz ZTWKNQGPTHKFPL-QLFBSQMISA-N 2 1 324.440 3.071 20 10 DGCDMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1c(O)cccc1F ZINC000886548267 627161054 /nfs/dbraw/zinc/16/10/54/627161054.db2.gz ZTWKNQGPTHKFPL-QLFBSQMISA-N 2 1 324.440 3.071 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815070935 627622247 /nfs/dbraw/zinc/62/22/47/627622247.db2.gz APJVSZIONUVRRC-QFBILLFUSA-N 2 1 303.494 3.223 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815070935 627622249 /nfs/dbraw/zinc/62/22/49/627622249.db2.gz APJVSZIONUVRRC-QFBILLFUSA-N 2 1 303.494 3.223 20 10 DGCDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611918 627814336 /nfs/dbraw/zinc/81/43/36/627814336.db2.gz AJFHRZIIZQOHTK-ABAIWWIYSA-N 2 1 312.816 3.101 20 10 DGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611918 627814339 /nfs/dbraw/zinc/81/43/39/627814339.db2.gz AJFHRZIIZQOHTK-ABAIWWIYSA-N 2 1 312.816 3.101 20 10 DGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611918 627814340 /nfs/dbraw/zinc/81/43/40/627814340.db2.gz AJFHRZIIZQOHTK-ABAIWWIYSA-N 2 1 312.816 3.101 20 10 DGCDMP Cc1ccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(O)c1C ZINC000817939913 627967480 /nfs/dbraw/zinc/96/74/80/627967480.db2.gz IBWPLTYVBIIJPS-MRXNPFEDSA-N 2 1 313.445 3.235 20 10 DGCDMP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Cl)c(Cl)cc1O ZINC000817955026 627973556 /nfs/dbraw/zinc/97/35/56/627973556.db2.gz OXGNEOSMQJDVDJ-UWVGGRQHSA-N 2 1 303.233 3.349 20 10 DGCDMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817958107 627975104 /nfs/dbraw/zinc/97/51/04/627975104.db2.gz HPZIUCQUSHYZHD-RHSMWYFYSA-N 2 1 307.457 3.450 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1Cl ZINC000825622059 628778518 /nfs/dbraw/zinc/77/85/18/628778518.db2.gz RZPUFWJWDAQUCF-UHFFFAOYSA-N 2 1 308.853 3.414 20 10 DGCDMP Oc1cccc2c1[C@@H]([NH2+]CCC[N@@H+]1CCc3ccccc3C1)CC2 ZINC000834501729 629718345 /nfs/dbraw/zinc/71/83/45/629718345.db2.gz IBMQOAYYIYRGLT-IBGZPJMESA-N 2 1 322.452 3.418 20 10 DGCDMP Oc1cccc2c1[C@@H]([NH2+]CCC[N@H+]1CCc3ccccc3C1)CC2 ZINC000834501729 629718346 /nfs/dbraw/zinc/71/83/46/629718346.db2.gz IBMQOAYYIYRGLT-IBGZPJMESA-N 2 1 322.452 3.418 20 10 DGCDMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000840811204 630361270 /nfs/dbraw/zinc/36/12/70/630361270.db2.gz ZOPXSFSWUFGXLH-IPYPFGDCSA-N 2 1 306.425 3.401 20 10 DGCDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933909 630380066 /nfs/dbraw/zinc/38/00/66/630380066.db2.gz KTXWLQMTXMJMOO-UHFFFAOYSA-N 2 1 300.450 3.136 20 10 DGCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1[NH3+] ZINC000843053696 630609106 /nfs/dbraw/zinc/60/91/06/630609106.db2.gz RERHFNABBUBCHQ-MJGOQNOKSA-N 2 1 301.478 3.236 20 10 DGCDMP CCc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000848891545 631774397 /nfs/dbraw/zinc/77/43/97/631774397.db2.gz ZYOWWLUIFSRUNE-APWZRJJASA-N 2 1 314.473 3.403 20 10 DGCDMP CCc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000848891545 631774405 /nfs/dbraw/zinc/77/44/05/631774405.db2.gz ZYOWWLUIFSRUNE-APWZRJJASA-N 2 1 314.473 3.403 20 10 DGCDMP CCc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000848891545 631774409 /nfs/dbraw/zinc/77/44/09/631774409.db2.gz ZYOWWLUIFSRUNE-APWZRJJASA-N 2 1 314.473 3.403 20 10 DGCDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850034829 632034317 /nfs/dbraw/zinc/03/43/17/632034317.db2.gz REIREGXTXQZYSL-AWEZNQCLSA-N 2 1 320.477 3.130 20 10 DGCDMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792948087 660996664 /nfs/dbraw/zinc/99/66/64/660996664.db2.gz WFDASIXHGVFPGE-LBPRGKRZSA-N 2 1 317.399 3.201 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093604549 656363766 /nfs/dbraw/zinc/36/37/66/656363766.db2.gz CCCKEXYUPYQXJN-IBGZPJMESA-N 2 1 315.505 3.451 20 10 DGCDMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000183398113 660109600 /nfs/dbraw/zinc/10/96/00/660109600.db2.gz HFMABUYUEJNGDS-INIZCTEOSA-N 2 1 310.441 3.491 20 10 DGCDMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000183398113 660109602 /nfs/dbraw/zinc/10/96/02/660109602.db2.gz HFMABUYUEJNGDS-INIZCTEOSA-N 2 1 310.441 3.491 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000246371662 662255659 /nfs/dbraw/zinc/25/56/59/662255659.db2.gz OBEOGCUBYCVCNB-QFBILLFUSA-N 2 1 314.473 3.458 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000246371662 662255660 /nfs/dbraw/zinc/25/56/60/662255660.db2.gz OBEOGCUBYCVCNB-QFBILLFUSA-N 2 1 314.473 3.458 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000246371662 662255662 /nfs/dbraw/zinc/25/56/62/662255662.db2.gz OBEOGCUBYCVCNB-QFBILLFUSA-N 2 1 314.473 3.458 20 10 DGCDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001335947483 1178974814 /nfs/dbraw/zinc/97/48/14/1178974814.db2.gz JQHLGJLFIUHASR-HXUWFJFHSA-N 2 1 315.505 3.484 20 10 DGCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001341569511 1179030418 /nfs/dbraw/zinc/03/04/18/1179030418.db2.gz PUJKOSAJJVWIOA-GOSISDBHSA-N 2 1 301.478 3.060 20 10 DGCDMP CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347236130 1179785978 /nfs/dbraw/zinc/78/59/78/1179785978.db2.gz WNBMRQJNGFUVKJ-DOTOQJQBSA-N 2 1 319.468 3.340 20 10 DGCDMP CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347236130 1179785983 /nfs/dbraw/zinc/78/59/83/1179785983.db2.gz WNBMRQJNGFUVKJ-DOTOQJQBSA-N 2 1 319.468 3.340 20 10 DGCDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@H]2C1 ZINC001352114253 1180298462 /nfs/dbraw/zinc/29/84/62/1180298462.db2.gz ZKNRPPKWHDEAAS-WOSRLPQWSA-N 2 1 308.853 3.208 20 10 DGCDMP CC(C)C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001461368393 1182800574 /nfs/dbraw/zinc/80/05/74/1182800574.db2.gz RMUDSZWWTRKDQW-HNNXBMFYSA-N 2 1 307.457 3.102 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1F ZINC001560533938 1189337604 /nfs/dbraw/zinc/33/76/04/1189337604.db2.gz IVRKFKAEPMYTOT-KRWDZBQOSA-N 2 1 321.484 3.493 20 10 DGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(OC)cc2O)C[C@@H]1C ZINC001560636406 1189353228 /nfs/dbraw/zinc/35/32/28/1189353228.db2.gz FNPHRTZWYQRNFJ-LSDHHAIUSA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(OC)cc2O)C[C@@H]1C ZINC001560636406 1189353232 /nfs/dbraw/zinc/35/32/32/1189353232.db2.gz FNPHRTZWYQRNFJ-LSDHHAIUSA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(OC)cc2O)C[C@@H]1C ZINC001560636406 1189353237 /nfs/dbraw/zinc/35/32/37/1189353237.db2.gz FNPHRTZWYQRNFJ-LSDHHAIUSA-N 2 1 306.450 3.014 20 10 DGCDMP CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1C ZINC001658176127 1196221733 /nfs/dbraw/zinc/22/17/33/1196221733.db2.gz ZHWJHHUFOMYWBH-FGTMMUONSA-N 2 1 302.462 3.214 20 10 DGCDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@H]2C1 ZINC001660892235 1196539053 /nfs/dbraw/zinc/53/90/53/1196539053.db2.gz HYPKSQGEPBRNOZ-XNRPHZJLSA-N 2 1 308.853 3.208 20 10 DGCDMP CC[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001204611487 1082775348 /nfs/dbraw/zinc/77/53/48/1082775348.db2.gz OJEKIBYKHJZUTD-UHFFFAOYSA-N 2 1 309.457 3.118 20 10 DGCDMP Oc1ccc(Cl)c(Cl)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235105340 1088207258 /nfs/dbraw/zinc/20/72/58/1088207258.db2.gz BYCJBSGELUKOOW-UHFFFAOYSA-N 2 1 315.244 3.275 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001204742994 1091027192 /nfs/dbraw/zinc/02/71/92/1091027192.db2.gz WDIFWPZJEZJJEI-UHFFFAOYSA-N 2 1 308.853 3.320 20 10 DGCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001205015730 1091084418 /nfs/dbraw/zinc/08/44/18/1091084418.db2.gz DPMQWUGIXKRSBV-AWEZNQCLSA-N 2 1 316.445 3.008 20 10 DGCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001205016821 1091085093 /nfs/dbraw/zinc/08/50/93/1091085093.db2.gz KULSDXJYTQHRMD-MRXNPFEDSA-N 2 1 310.441 3.491 20 10 DGCDMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001205333315 1091189767 /nfs/dbraw/zinc/18/97/67/1091189767.db2.gz ZZHJAUXCLKGFPR-AWEZNQCLSA-N 2 1 314.404 3.382 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CC[C@H]1C[NH3+] ZINC001205651103 1091296737 /nfs/dbraw/zinc/29/67/37/1091296737.db2.gz ADZNJMGUEAYPAO-RYUDHWBXSA-N 2 1 316.367 3.218 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(OC)c1 ZINC001205901324 1091399931 /nfs/dbraw/zinc/39/99/31/1091399931.db2.gz CMBSGPATONBLJS-HZPDHXFCSA-N 2 1 319.493 3.101 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCC[C@@H]1C[NH3+] ZINC001205992047 1091439250 /nfs/dbraw/zinc/43/92/50/1091439250.db2.gz CYLFGVZSNZFTEO-PKOBYXMFSA-N 2 1 315.505 3.484 20 10 DGCDMP C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CCC[C@@H]1C[NH3+] ZINC001206024566 1091455338 /nfs/dbraw/zinc/45/53/38/1091455338.db2.gz KDUTZMSWQOLZGU-NWDGAFQWSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCC[C@@H]1C[NH3+] ZINC001206024566 1091455344 /nfs/dbraw/zinc/45/53/44/1091455344.db2.gz KDUTZMSWQOLZGU-NWDGAFQWSA-N 2 1 316.367 3.218 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@@](C)(F)CC2)cc(C[NH+](C)C)c1O ZINC001139253506 1091501972 /nfs/dbraw/zinc/50/19/72/1091501972.db2.gz WHIAKSJGEQCUAJ-GOSISDBHSA-N 2 1 324.440 3.177 20 10 DGCDMP CC[C@H]1CCCC[N@H+]1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258029 1091502108 /nfs/dbraw/zinc/50/21/08/1091502108.db2.gz KBCZQGOFHAOGRQ-INIZCTEOSA-N 2 1 306.450 3.227 20 10 DGCDMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@@H]1F ZINC001206201818 1091532586 /nfs/dbraw/zinc/53/25/86/1091532586.db2.gz YZWAOVUGQYUFLD-ROUUACIJSA-N 2 1 314.404 3.320 20 10 DGCDMP CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206371330 1091603835 /nfs/dbraw/zinc/60/38/35/1091603835.db2.gz SQDWNFMZFYNDDP-GOSISDBHSA-N 2 1 308.441 3.343 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206371330 1091603840 /nfs/dbraw/zinc/60/38/40/1091603840.db2.gz SQDWNFMZFYNDDP-GOSISDBHSA-N 2 1 308.441 3.343 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206556861 1091668822 /nfs/dbraw/zinc/66/88/22/1091668822.db2.gz YNGBLRQXZGBTAG-KRWDZBQOSA-N 2 1 309.885 3.357 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c2ccccc21 ZINC001206615928 1091690843 /nfs/dbraw/zinc/69/08/43/1091690843.db2.gz KLZASHPWDCYUQB-INIZCTEOSA-N 2 1 311.473 3.467 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C)[C@H]3C)cc2)CC1 ZINC001140304027 1091819818 /nfs/dbraw/zinc/81/98/18/1091819818.db2.gz FBAMUINLKJBCNZ-QZTJIDSGSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C)[C@@H]3C)cc2)CC1 ZINC001140304026 1091820573 /nfs/dbraw/zinc/82/05/73/1091820573.db2.gz FBAMUINLKJBCNZ-MSOLQXFVSA-N 2 1 315.505 3.449 20 10 DGCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143112693 1092616920 /nfs/dbraw/zinc/61/69/20/1092616920.db2.gz YFRICGTYTCMAED-DNVCBOLYSA-N 2 1 302.462 3.073 20 10 DGCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143112693 1092616924 /nfs/dbraw/zinc/61/69/24/1092616924.db2.gz YFRICGTYTCMAED-DNVCBOLYSA-N 2 1 302.462 3.073 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1O ZINC000404315968 1094253810 /nfs/dbraw/zinc/25/38/10/1094253810.db2.gz OEYNQWIIOGITND-RISCZKNCSA-N 2 1 312.841 3.004 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1F ZINC001119990899 1094337874 /nfs/dbraw/zinc/33/78/74/1094337874.db2.gz YTAVELKVBXGJPE-ULQDDVLXSA-N 2 1 319.468 3.054 20 10 DGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC001276815568 1095141072 /nfs/dbraw/zinc/14/10/72/1095141072.db2.gz WEBOMJVBOHPCNJ-LJQANCHMSA-N 2 1 302.462 3.433 20 10 DGCDMP CC(C)c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC001276815568 1095141079 /nfs/dbraw/zinc/14/10/79/1095141079.db2.gz WEBOMJVBOHPCNJ-LJQANCHMSA-N 2 1 302.462 3.433 20 10 DGCDMP CC(C)c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC001276815568 1095141087 /nfs/dbraw/zinc/14/10/87/1095141087.db2.gz WEBOMJVBOHPCNJ-LJQANCHMSA-N 2 1 302.462 3.433 20 10 DGCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000316426121 1095174011 /nfs/dbraw/zinc/17/40/11/1095174011.db2.gz BETZFULSCWCIOO-SJLPKXTDSA-N 2 1 301.478 3.249 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222252875 1095513326 /nfs/dbraw/zinc/51/33/26/1095513326.db2.gz LIJPAKBIYWFVEX-LJQANCHMSA-N 2 1 302.462 3.408 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1 ZINC001222252875 1095513333 /nfs/dbraw/zinc/51/33/33/1095513333.db2.gz LIJPAKBIYWFVEX-LJQANCHMSA-N 2 1 302.462 3.408 20 10 DGCDMP Cc1c(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001222264518 1095519261 /nfs/dbraw/zinc/51/92/61/1095519261.db2.gz CYUMJGGUPHMYCN-HXUWFJFHSA-N 2 1 311.473 3.452 20 10 DGCDMP C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116444984 1095557027 /nfs/dbraw/zinc/55/70/27/1095557027.db2.gz KPTWBHNDRFFBDG-CVEARBPZSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116444984 1095557040 /nfs/dbraw/zinc/55/70/40/1095557040.db2.gz KPTWBHNDRFFBDG-CVEARBPZSA-N 2 1 319.468 3.198 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001118242848 1095964931 /nfs/dbraw/zinc/96/49/31/1095964931.db2.gz LFADTAATQPBKKR-OALUTQOASA-N 2 1 313.489 3.108 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001119610862 1096232423 /nfs/dbraw/zinc/23/24/23/1096232423.db2.gz IJHJXAORXUUVLL-HXUWFJFHSA-N 2 1 313.489 3.252 20 10 DGCDMP C[NH+]1C(C)(C)CC([N@H+]2CCc3cccc(O)c3C2)CC1(C)C ZINC001171643423 1096950136 /nfs/dbraw/zinc/95/01/36/1096950136.db2.gz SMELPAHIAUTWNV-UHFFFAOYSA-N 2 1 302.462 3.402 20 10 DGCDMP CC(C)OCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001172439452 1097153904 /nfs/dbraw/zinc/15/39/04/1097153904.db2.gz DTPNZDDZZKINCI-INIZCTEOSA-N 2 1 320.477 3.150 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1Cl ZINC001231870074 1097870528 /nfs/dbraw/zinc/87/05/28/1097870528.db2.gz IDTBXLWJVSREPT-UHFFFAOYSA-N 2 1 308.853 3.272 20 10 DGCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)c3O)C[C@@H]2C1 ZINC001234987810 1098735963 /nfs/dbraw/zinc/73/59/63/1098735963.db2.gz KJYJEYVNKYBLMQ-MJGOQNOKSA-N 2 1 322.452 3.443 20 10 DGCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3O)C[C@@H]2C1 ZINC001234987810 1098735973 /nfs/dbraw/zinc/73/59/73/1098735973.db2.gz KJYJEYVNKYBLMQ-MJGOQNOKSA-N 2 1 322.452 3.443 20 10 DGCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3O)C[C@@H]2C1 ZINC001234987810 1098735983 /nfs/dbraw/zinc/73/59/83/1098735983.db2.gz KJYJEYVNKYBLMQ-MJGOQNOKSA-N 2 1 322.452 3.443 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC001234991331 1098736225 /nfs/dbraw/zinc/73/62/25/1098736225.db2.gz FFWLPYSGGZLZEP-NRFANRHFSA-N 2 1 323.484 3.481 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001234999618 1098742616 /nfs/dbraw/zinc/74/26/16/1098742616.db2.gz NEEUDKOFLKUODX-IBGZPJMESA-N 2 1 302.462 3.265 20 10 DGCDMP Cc1cc(C)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(O)c1 ZINC001235156189 1098841503 /nfs/dbraw/zinc/84/15/03/1098841503.db2.gz FKVROBRJFDTPRS-SFHVURJKSA-N 2 1 302.462 3.363 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235241065 1098913968 /nfs/dbraw/zinc/91/39/68/1098913968.db2.gz RGWJJODWJBINOO-UYAOXDASSA-N 2 1 309.457 3.407 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235241065 1098913975 /nfs/dbraw/zinc/91/39/75/1098913975.db2.gz RGWJJODWJBINOO-UYAOXDASSA-N 2 1 309.457 3.407 20 10 DGCDMP Cc1cccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1O ZINC001235377085 1098985915 /nfs/dbraw/zinc/98/59/15/1098985915.db2.gz OUUSBODYWIBUAI-CTNGQTDRSA-N 2 1 322.452 3.280 20 10 DGCDMP Cc1c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c2ccccc2n1C ZINC001235404184 1099001035 /nfs/dbraw/zinc/00/10/35/1099001035.db2.gz MZSIYVBRFDKHEX-OALUTQOASA-N 2 1 315.436 3.010 20 10 DGCDMP Cc1c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c2ccccc2n1C ZINC001235404180 1099002268 /nfs/dbraw/zinc/00/22/68/1099002268.db2.gz MZSIYVBRFDKHEX-MOPGFXCFSA-N 2 1 315.436 3.010 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1N(C)C ZINC001235421699 1099013773 /nfs/dbraw/zinc/01/37/73/1099013773.db2.gz BXSRGNLZTFLFSK-RTBURBONSA-N 2 1 315.505 3.273 20 10 DGCDMP Cc1cc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c(C)n1-c1ccccc1 ZINC001235928545 1099265408 /nfs/dbraw/zinc/26/54/08/1099265408.db2.gz AGXYRZQOCFUJAN-MJGOQNOKSA-N 2 1 309.457 3.135 20 10 DGCDMP Oc1cc(Cl)c(Cl)cc1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236010183 1099332237 /nfs/dbraw/zinc/33/22/37/1099332237.db2.gz RXNXVWGAZIMSCG-UHFFFAOYSA-N 2 1 315.244 3.275 20 10 DGCDMP CC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CCC[NH2+]C1 ZINC001236011259 1099335329 /nfs/dbraw/zinc/33/53/29/1099335329.db2.gz WGPNUOLQGFEXMB-OAHLLOKOSA-N 2 1 314.429 3.128 20 10 DGCDMP CC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CCC[NH2+]C1 ZINC001236011259 1099335340 /nfs/dbraw/zinc/33/53/40/1099335340.db2.gz WGPNUOLQGFEXMB-OAHLLOKOSA-N 2 1 314.429 3.128 20 10 DGCDMP Cc1cccc(O)c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374634 1099559057 /nfs/dbraw/zinc/55/90/57/1099559057.db2.gz FOQJIKOFTJAARO-MRXNPFEDSA-N 2 1 302.462 3.445 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001236818136 1099804836 /nfs/dbraw/zinc/80/48/36/1099804836.db2.gz GLLCHMVSBBEHQO-DFQSSKMNSA-N 2 1 309.457 3.263 20 10 DGCDMP CCCCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236929257 1099880521 /nfs/dbraw/zinc/88/05/21/1099880521.db2.gz CUHUJJMUKKEMIB-UHFFFAOYSA-N 2 1 307.457 3.200 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)c(OC)c1 ZINC001237056742 1099948821 /nfs/dbraw/zinc/94/88/21/1099948821.db2.gz JJAWMIKKKDZEKR-IBGZPJMESA-N 2 1 319.493 3.102 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c(OC)c1 ZINC001237056742 1099948828 /nfs/dbraw/zinc/94/88/28/1099948828.db2.gz JJAWMIKKKDZEKR-IBGZPJMESA-N 2 1 319.493 3.102 20 10 DGCDMP Oc1ccccc1C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237274853 1100054016 /nfs/dbraw/zinc/05/40/16/1100054016.db2.gz GCGZMTHBJQFWMD-UHFFFAOYSA-N 2 1 308.425 3.029 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c1O ZINC001237408158 1100115380 /nfs/dbraw/zinc/11/53/80/1100115380.db2.gz YYZOSOIEPIIHDK-RHSMWYFYSA-N 2 1 302.462 3.264 20 10 DGCDMP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238066684 1100347651 /nfs/dbraw/zinc/34/76/51/1100347651.db2.gz OGTRQPWLNAMXQY-MRXNPFEDSA-N 2 1 316.376 3.196 20 10 DGCDMP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238066684 1100347661 /nfs/dbraw/zinc/34/76/61/1100347661.db2.gz OGTRQPWLNAMXQY-MRXNPFEDSA-N 2 1 316.376 3.196 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205626299 1100722199 /nfs/dbraw/zinc/72/21/99/1100722199.db2.gz FNAUXLQFRZFSPD-ZIAGYGMSSA-N 2 1 309.885 3.213 20 10 DGCDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1C[NH3+] ZINC001325701911 1103104666 /nfs/dbraw/zinc/10/46/66/1103104666.db2.gz CLIDHIRRIKLNHK-SOLBZPMBSA-N 2 1 301.478 3.092 20 10 DGCDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1C[NH3+] ZINC001325701908 1103106021 /nfs/dbraw/zinc/10/60/21/1103106021.db2.gz CLIDHIRRIKLNHK-JFIYKMOQSA-N 2 1 301.478 3.092 20 10 DGCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CCC1 ZINC001326835773 1103458108 /nfs/dbraw/zinc/45/81/08/1103458108.db2.gz LQDMVNYKTSYWMY-UHFFFAOYSA-N 2 1 319.468 3.200 20 10 DGCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CCC1 ZINC001326835773 1103458122 /nfs/dbraw/zinc/45/81/22/1103458122.db2.gz LQDMVNYKTSYWMY-UHFFFAOYSA-N 2 1 319.468 3.200 20 10 DGCDMP CC[C@@](C)([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001327846040 1103740792 /nfs/dbraw/zinc/74/07/92/1103740792.db2.gz TZSNFNOKKUFBKZ-LJQANCHMSA-N 2 1 319.468 3.246 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)C2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC001246903133 1104728929 /nfs/dbraw/zinc/72/89/29/1104728929.db2.gz WSFKLHJVNJMUQF-UHFFFAOYSA-N 2 1 315.505 3.497 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246924387 1104740591 /nfs/dbraw/zinc/74/05/91/1104740591.db2.gz MFFVBEOUGYFTRE-RBUKOAKNSA-N 2 1 303.494 3.351 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254524815 1106092488 /nfs/dbraw/zinc/09/24/88/1106092488.db2.gz ZWFQDNOHEQDEIG-GOSISDBHSA-N 2 1 301.478 3.203 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254524815 1106092493 /nfs/dbraw/zinc/09/24/93/1106092493.db2.gz ZWFQDNOHEQDEIG-GOSISDBHSA-N 2 1 301.478 3.203 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254524815 1106092495 /nfs/dbraw/zinc/09/24/95/1106092495.db2.gz ZWFQDNOHEQDEIG-GOSISDBHSA-N 2 1 301.478 3.203 20 10 DGCDMP CSCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001258205819 1106696417 /nfs/dbraw/zinc/69/64/17/1106696417.db2.gz ADEHZLLWVAGKFY-CQSZACIVSA-N 2 1 308.491 3.088 20 10 DGCDMP CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320422152 1107001468 /nfs/dbraw/zinc/00/14/68/1107001468.db2.gz BPIVKUYZBMAGMG-MAUKXSAKSA-N 2 1 319.468 3.198 20 10 DGCDMP CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320422152 1107001484 /nfs/dbraw/zinc/00/14/84/1107001484.db2.gz BPIVKUYZBMAGMG-MAUKXSAKSA-N 2 1 319.468 3.198 20 10 DGCDMP CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320422154 1107002682 /nfs/dbraw/zinc/00/26/82/1107002682.db2.gz BPIVKUYZBMAGMG-YJBOKZPZSA-N 2 1 319.468 3.198 20 10 DGCDMP CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320422154 1107002697 /nfs/dbraw/zinc/00/26/97/1107002697.db2.gz BPIVKUYZBMAGMG-YJBOKZPZSA-N 2 1 319.468 3.198 20 10 DGCDMP CC(C)c1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC001308569784 1111445296 /nfs/dbraw/zinc/44/52/96/1111445296.db2.gz IWOJJBHKNMLHHI-WMZOPIPTSA-N 2 1 302.462 3.432 20 10 DGCDMP CCc1cccc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c1O ZINC001308984616 1111505467 /nfs/dbraw/zinc/50/54/67/1111505467.db2.gz KVWBFDKUWNAAFF-BGYRXZFFSA-N 2 1 314.473 3.262 20 10 DGCDMP CCc1cccc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c1O ZINC001308984616 1111505470 /nfs/dbraw/zinc/50/54/70/1111505470.db2.gz KVWBFDKUWNAAFF-BGYRXZFFSA-N 2 1 314.473 3.262 20 10 DGCDMP CCc1cccc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)c1O ZINC001308984616 1111505473 /nfs/dbraw/zinc/50/54/73/1111505473.db2.gz KVWBFDKUWNAAFF-BGYRXZFFSA-N 2 1 314.473 3.262 20 10 DGCDMP CCOc1cccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1O ZINC000236926918 202075101 /nfs/dbraw/zinc/07/51/01/202075101.db2.gz RUIRVNCFWCHWHV-HNNXBMFYSA-N 2 1 306.450 3.145 20 10 DGCDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000069754139 400341989 /nfs/dbraw/zinc/34/19/89/400341989.db2.gz PUWKNUCRXVCYEY-UHFFFAOYSA-N 2 1 312.461 3.362 20 10 DGCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000292796231 277160698 /nfs/dbraw/zinc/16/06/98/277160698.db2.gz MZYKIQVCPIWSRG-HXUWFJFHSA-N 2 1 313.489 3.205 20 10 DGCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000292796231 277160699 /nfs/dbraw/zinc/16/06/99/277160699.db2.gz MZYKIQVCPIWSRG-HXUWFJFHSA-N 2 1 313.489 3.205 20 10 DGCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000292796231 277160700 /nfs/dbraw/zinc/16/07/00/277160700.db2.gz MZYKIQVCPIWSRG-HXUWFJFHSA-N 2 1 313.489 3.205 20 10 DGCDMP CCN(C)c1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119660158 431713879 /nfs/dbraw/zinc/71/38/79/431713879.db2.gz GVDLYTHQAFXURI-HNNXBMFYSA-N 2 1 301.478 3.420 20 10 DGCDMP CCOc1cccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1O ZINC000093660021 431917766 /nfs/dbraw/zinc/91/77/66/431917766.db2.gz URMYIELZQDNIMF-MRXNPFEDSA-N 2 1 306.450 3.097 20 10 DGCDMP CCOc1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1O ZINC000093660021 431917770 /nfs/dbraw/zinc/91/77/70/431917770.db2.gz URMYIELZQDNIMF-MRXNPFEDSA-N 2 1 306.450 3.097 20 10 DGCDMP CCOc1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1O ZINC000093660021 431917772 /nfs/dbraw/zinc/91/77/72/431917772.db2.gz URMYIELZQDNIMF-MRXNPFEDSA-N 2 1 306.450 3.097 20 10 DGCDMP CCOc1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1O ZINC000093660021 431917776 /nfs/dbraw/zinc/91/77/76/431917776.db2.gz URMYIELZQDNIMF-MRXNPFEDSA-N 2 1 306.450 3.097 20 10 DGCDMP CCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(O)c1 ZINC000289709708 432972684 /nfs/dbraw/zinc/97/26/84/432972684.db2.gz OXBAWVWIRRZDJT-SJPCQFCGSA-N 2 1 318.461 3.238 20 10 DGCDMP CCCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(O)c1 ZINC000289709708 432972687 /nfs/dbraw/zinc/97/26/87/432972687.db2.gz OXBAWVWIRRZDJT-SJPCQFCGSA-N 2 1 318.461 3.238 20 10 DGCDMP CCCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(O)c1 ZINC000289709708 432972690 /nfs/dbraw/zinc/97/26/90/432972690.db2.gz OXBAWVWIRRZDJT-SJPCQFCGSA-N 2 1 318.461 3.238 20 10 DGCDMP CCOc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1O ZINC000366951250 434532100 /nfs/dbraw/zinc/53/21/00/434532100.db2.gz IORJFEINDLJRTE-UHFFFAOYSA-N 2 1 318.461 3.099 20 10 DGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000363792857 332248717 /nfs/dbraw/zinc/24/87/17/332248717.db2.gz OROXUJWLBWYLLU-UHOSZYNNSA-N 2 1 301.478 3.420 20 10 DGCDMP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000853239252 620680928 /nfs/dbraw/zinc/68/09/28/620680928.db2.gz CVWNBAXPMOPASN-GOEBONIOSA-N 2 1 318.461 3.173 20 10 DGCDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1O ZINC000853241019 620681493 /nfs/dbraw/zinc/68/14/93/620681493.db2.gz RRVLWYWWCOLOOO-ZFWWWQNUSA-N 2 1 306.425 3.304 20 10 DGCDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1O ZINC000853241019 620681497 /nfs/dbraw/zinc/68/14/97/620681497.db2.gz RRVLWYWWCOLOOO-ZFWWWQNUSA-N 2 1 306.425 3.304 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858179552 621161966 /nfs/dbraw/zinc/16/19/66/621161966.db2.gz NWTPWPKHXGRDBL-SJLPKXTDSA-N 2 1 317.521 3.454 20 10 DGCDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000858245035 621167901 /nfs/dbraw/zinc/16/79/01/621167901.db2.gz BADONDJGYYXMJF-NSHDSACASA-N 2 1 300.805 3.006 20 10 DGCDMP Cc1cc(C)c(O)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000754735776 621529475 /nfs/dbraw/zinc/52/94/75/621529475.db2.gz BJVSNLFNXFONRT-QGZVFWFLSA-N 2 1 302.462 3.173 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000754735776 621529478 /nfs/dbraw/zinc/52/94/78/621529478.db2.gz BJVSNLFNXFONRT-QGZVFWFLSA-N 2 1 302.462 3.173 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000754735776 621529480 /nfs/dbraw/zinc/52/94/80/621529480.db2.gz BJVSNLFNXFONRT-QGZVFWFLSA-N 2 1 302.462 3.173 20 10 DGCDMP Cc1cc(C)c(O)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000754735773 621529500 /nfs/dbraw/zinc/52/95/00/621529500.db2.gz BJVSNLFNXFONRT-KRWDZBQOSA-N 2 1 302.462 3.173 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000754735773 621529501 /nfs/dbraw/zinc/52/95/01/621529501.db2.gz BJVSNLFNXFONRT-KRWDZBQOSA-N 2 1 302.462 3.173 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000754735773 621529503 /nfs/dbraw/zinc/52/95/03/621529503.db2.gz BJVSNLFNXFONRT-KRWDZBQOSA-N 2 1 302.462 3.173 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000763607977 622154855 /nfs/dbraw/zinc/15/48/55/622154855.db2.gz VDCZXCLNLPSWGR-SFHVURJKSA-N 2 1 303.494 3.449 20 10 DGCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768467069 622458799 /nfs/dbraw/zinc/45/87/99/622458799.db2.gz WYQSJCPGWJGSBB-HNNXBMFYSA-N 2 1 302.462 3.045 20 10 DGCDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768467069 622458800 /nfs/dbraw/zinc/45/88/00/622458800.db2.gz WYQSJCPGWJGSBB-HNNXBMFYSA-N 2 1 302.462 3.045 20 10 DGCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768467069 622458801 /nfs/dbraw/zinc/45/88/01/622458801.db2.gz WYQSJCPGWJGSBB-HNNXBMFYSA-N 2 1 302.462 3.045 20 10 DGCDMP CCOc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(O)c1 ZINC000768925261 622485648 /nfs/dbraw/zinc/48/56/48/622485648.db2.gz AQXNTLCFCLKKOI-UHFFFAOYSA-N 2 1 320.477 3.343 20 10 DGCDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469632 622530736 /nfs/dbraw/zinc/53/07/36/622530736.db2.gz BWQKSDHFBSWOHL-GOEBONIOSA-N 2 1 307.457 3.196 20 10 DGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469632 622530739 /nfs/dbraw/zinc/53/07/39/622530739.db2.gz BWQKSDHFBSWOHL-GOEBONIOSA-N 2 1 307.457 3.196 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469632 622530741 /nfs/dbraw/zinc/53/07/41/622530741.db2.gz BWQKSDHFBSWOHL-GOEBONIOSA-N 2 1 307.457 3.196 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469632 622530744 /nfs/dbraw/zinc/53/07/44/622530744.db2.gz BWQKSDHFBSWOHL-GOEBONIOSA-N 2 1 307.457 3.196 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000775660244 623307125 /nfs/dbraw/zinc/30/71/25/623307125.db2.gz BAGCJBDZDROWFW-QUCCMNQESA-N 2 1 313.489 3.203 20 10 DGCDMP Cc1cccc(O)c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000876920408 623744028 /nfs/dbraw/zinc/74/40/28/623744028.db2.gz QLFKOURRHANJGJ-UHFFFAOYSA-N 2 1 324.468 3.497 20 10 DGCDMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(O)c1 ZINC000877190150 623822667 /nfs/dbraw/zinc/82/26/67/623822667.db2.gz XIOSAQSYPRZERD-WBVHZDCISA-N 2 1 302.462 3.443 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C)cc1O ZINC000877528576 623925301 /nfs/dbraw/zinc/92/53/01/623925301.db2.gz DWLUPXXJEZSFHD-UHFFFAOYSA-N 2 1 301.434 3.372 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C)cc1O ZINC000877528576 623925307 /nfs/dbraw/zinc/92/53/07/623925307.db2.gz DWLUPXXJEZSFHD-UHFFFAOYSA-N 2 1 301.434 3.372 20 10 DGCDMP CN1CCCc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)ccc21 ZINC000796726885 626076605 /nfs/dbraw/zinc/07/66/05/626076605.db2.gz GIUFSKXTQIACGC-NSHGMRRFSA-N 2 1 313.489 3.031 20 10 DGCDMP CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809768607 626950506 /nfs/dbraw/zinc/95/05/06/626950506.db2.gz QCIQLRMUEAZOCL-WMZOPIPTSA-N 2 1 301.478 3.201 20 10 DGCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4ccccc4c3O)CC[C@@H]21 ZINC000816521238 627801140 /nfs/dbraw/zinc/80/11/40/627801140.db2.gz KLUPJGIADMOLFN-LPHOPBHVSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)CC[C@@H]21 ZINC000816521238 627801141 /nfs/dbraw/zinc/80/11/41/627801141.db2.gz KLUPJGIADMOLFN-LPHOPBHVSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CC[C@@H]21 ZINC000816521238 627801144 /nfs/dbraw/zinc/80/11/44/627801144.db2.gz KLUPJGIADMOLFN-LPHOPBHVSA-N 2 1 310.441 3.462 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1O ZINC000817970391 627978938 /nfs/dbraw/zinc/97/89/38/627978938.db2.gz UKPWNVZTZZOBQW-GARJFASQSA-N 2 1 302.340 3.332 20 10 DGCDMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(C(F)(F)F)c1O ZINC000817969927 627979160 /nfs/dbraw/zinc/97/91/60/627979160.db2.gz IIMHSOVRTIMHRF-KWBADKCTSA-N 2 1 302.340 3.060 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000835026075 629827810 /nfs/dbraw/zinc/82/78/10/629827810.db2.gz PEFSTINFGKLVHO-ZMBJWTFHSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000835026075 629827813 /nfs/dbraw/zinc/82/78/13/629827813.db2.gz PEFSTINFGKLVHO-ZMBJWTFHSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000835049255 629835705 /nfs/dbraw/zinc/83/57/05/629835705.db2.gz PIUQKFIJCGGTAM-FZMUQLTDSA-N 2 1 301.478 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000835049255 629835712 /nfs/dbraw/zinc/83/57/12/629835712.db2.gz PIUQKFIJCGGTAM-FZMUQLTDSA-N 2 1 301.478 3.182 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000840916230 630378301 /nfs/dbraw/zinc/37/83/01/630378301.db2.gz HZNZKGKOIQEKBD-GOSISDBHSA-N 2 1 315.505 3.225 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000840916230 630378303 /nfs/dbraw/zinc/37/83/03/630378303.db2.gz HZNZKGKOIQEKBD-GOSISDBHSA-N 2 1 315.505 3.225 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000840916230 630378305 /nfs/dbraw/zinc/37/83/05/630378305.db2.gz HZNZKGKOIQEKBD-GOSISDBHSA-N 2 1 315.505 3.225 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1O ZINC000843046035 630608245 /nfs/dbraw/zinc/60/82/45/630608245.db2.gz SVEAFAOLWJJPQA-CZUORRHYSA-N 2 1 308.853 3.318 20 10 DGCDMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046675 630608346 /nfs/dbraw/zinc/60/83/46/630608346.db2.gz YWAADUWUUYTZKT-LPHOPBHVSA-N 2 1 301.478 3.379 20 10 DGCDMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046675 630608350 /nfs/dbraw/zinc/60/83/50/630608350.db2.gz YWAADUWUUYTZKT-LPHOPBHVSA-N 2 1 301.478 3.379 20 10 DGCDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC000843058029 630609849 /nfs/dbraw/zinc/60/98/49/630609849.db2.gz LMVDYHYGRKWAIU-YZGWKJHDSA-N 2 1 313.489 3.236 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1O ZINC000843125244 630616649 /nfs/dbraw/zinc/61/66/49/630616649.db2.gz OXOOBJMCVOLCEY-UONOGXRCSA-N 2 1 308.853 3.176 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125282 630616750 /nfs/dbraw/zinc/61/67/50/630616750.db2.gz QRYGGMYOOSYJNT-VXGBXAGGSA-N 2 1 312.816 3.006 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125282 630616751 /nfs/dbraw/zinc/61/67/51/630616751.db2.gz QRYGGMYOOSYJNT-VXGBXAGGSA-N 2 1 312.816 3.006 20 10 DGCDMP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1O ZINC000843127252 630616963 /nfs/dbraw/zinc/61/69/63/630616963.db2.gz PBTIIIGFNADPBC-HZPDHXFCSA-N 2 1 318.461 3.003 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000105443462 630712170 /nfs/dbraw/zinc/71/21/70/630712170.db2.gz SUELZJCHNPSCML-INIZCTEOSA-N 2 1 314.477 3.464 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC000844221088 630712725 /nfs/dbraw/zinc/71/27/25/630712725.db2.gz UCMOCUWDRNEZFE-UHFFFAOYSA-N 2 1 303.494 3.354 20 10 DGCDMP COc1cccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1O ZINC000846144568 631211829 /nfs/dbraw/zinc/21/18/29/631211829.db2.gz HWUFHXPEMQYZHT-ZDUSSCGKSA-N 2 1 303.406 3.037 20 10 DGCDMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1O ZINC000848559717 631692676 /nfs/dbraw/zinc/69/26/76/631692676.db2.gz YFQJHSAHRNCQMT-SDDRHHMPSA-N 2 1 316.367 3.402 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350836 631901615 /nfs/dbraw/zinc/90/16/15/631901615.db2.gz YAUWGDOERRGRPQ-CQSZACIVSA-N 2 1 308.853 3.257 20 10 DGCDMP C[C@@]1(C[NH2+]Cc2ccccc2O)CC[N@@H+](Cc2ccccc2)C1 ZINC000309702076 655876605 /nfs/dbraw/zinc/87/66/05/655876605.db2.gz GMWKUDZUZGXKLJ-FQEVSTJZSA-N 2 1 310.441 3.394 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683576 662358220 /nfs/dbraw/zinc/35/82/20/662358220.db2.gz DLXIXOVNXNLOAW-AWEZNQCLSA-N 2 1 308.853 3.353 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683576 662358222 /nfs/dbraw/zinc/35/82/22/662358222.db2.gz DLXIXOVNXNLOAW-AWEZNQCLSA-N 2 1 308.853 3.353 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001333893543 1178691740 /nfs/dbraw/zinc/69/17/40/1178691740.db2.gz YXQHTUTXEIEHOA-NSHGMRRFSA-N 2 1 315.505 3.223 20 10 DGCDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)C[C@H]2C1 ZINC001334723857 1178786571 /nfs/dbraw/zinc/78/65/71/1178786571.db2.gz HSICFGCSBPCZPY-ZHALLVOQSA-N 2 1 314.473 3.043 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001349325764 1179894011 /nfs/dbraw/zinc/89/40/11/1179894011.db2.gz QDYDKIVSRUVTEY-UHFFFAOYSA-N 2 1 312.816 3.150 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001349325764 1179894017 /nfs/dbraw/zinc/89/40/17/1179894017.db2.gz QDYDKIVSRUVTEY-UHFFFAOYSA-N 2 1 312.816 3.150 20 10 DGCDMP CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001474070004 1183861634 /nfs/dbraw/zinc/86/16/34/1183861634.db2.gz DZTYSYZKRMHOEH-FUHWJXTLSA-N 2 1 319.468 3.246 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)C3CC3)cc2F)CC1 ZINC001560603486 1189346772 /nfs/dbraw/zinc/34/67/72/1189346772.db2.gz MKLTXIBCDOXBHP-UHFFFAOYSA-N 2 1 319.468 3.103 20 10 DGCDMP CCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CCC[NH+](C)C ZINC001621314027 1193829740 /nfs/dbraw/zinc/82/97/40/1193829740.db2.gz STZIYJBCRRZYQA-CLFYSBASSA-N 2 1 303.494 3.430 20 10 DGCDMP Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001621460487 1193845670 /nfs/dbraw/zinc/84/56/70/1193845670.db2.gz QWJUYFKRCIHLCH-AWEZNQCLSA-N 2 1 308.853 3.257 20 10 DGCDMP Oc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001621460487 1193845672 /nfs/dbraw/zinc/84/56/72/1193845672.db2.gz QWJUYFKRCIHLCH-AWEZNQCLSA-N 2 1 308.853 3.257 20 10 DGCDMP Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001651902450 1195522476 /nfs/dbraw/zinc/52/24/76/1195522476.db2.gz IGUZODBUWCSRAC-INIZCTEOSA-N 2 1 308.853 3.496 20 10 DGCDMP Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001651902450 1195522480 /nfs/dbraw/zinc/52/24/80/1195522480.db2.gz IGUZODBUWCSRAC-INIZCTEOSA-N 2 1 308.853 3.496 20 10 DGCDMP Cc1ccc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)c(O)c1 ZINC001665936734 1197218112 /nfs/dbraw/zinc/21/81/12/1197218112.db2.gz FCSXAEWCSLSTLD-KDURUIRLSA-N 2 1 300.446 3.008 20 10 DGCDMP Cc1ccc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c(O)c1 ZINC001665936734 1197218116 /nfs/dbraw/zinc/21/81/16/1197218116.db2.gz FCSXAEWCSLSTLD-KDURUIRLSA-N 2 1 300.446 3.008 20 10 DGCDMP Cc1ccc(C[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)c(O)c1 ZINC001665936734 1197218118 /nfs/dbraw/zinc/21/81/18/1197218118.db2.gz FCSXAEWCSLSTLD-KDURUIRLSA-N 2 1 300.446 3.008 20 10 DGCDMP Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000309930383 1199711845 /nfs/dbraw/zinc/71/18/45/1199711845.db2.gz YVCRKQNMNNVVLU-UHFFFAOYSA-N 2 1 310.441 3.455 20 10 DGCDMP CC1(C)[C@@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4O)CC3)C[C@@H]21 ZINC001170732523 1083247603 /nfs/dbraw/zinc/24/76/03/1083247603.db2.gz ZTPVRBDWFRWGNG-NNZMDNLPSA-N 2 1 314.473 3.381 20 10 DGCDMP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(O)c1 ZINC001203630796 1084565689 /nfs/dbraw/zinc/56/56/89/1084565689.db2.gz VNLDBCBVAQSCRN-KRWDZBQOSA-N 2 1 318.461 3.241 20 10 DGCDMP C[N@@H+](Cc1ccccc1)C1CCN(Cc2ccccc2O)CC1 ZINC001203555839 1090754407 /nfs/dbraw/zinc/75/44/07/1090754407.db2.gz HHAVCSYKEAQQID-UHFFFAOYSA-N 2 1 310.441 3.489 20 10 DGCDMP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC001203555839 1090754414 /nfs/dbraw/zinc/75/44/14/1090754414.db2.gz HHAVCSYKEAQQID-UHFFFAOYSA-N 2 1 310.441 3.489 20 10 DGCDMP COc1cccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1O ZINC001203596008 1090764263 /nfs/dbraw/zinc/76/42/63/1090764263.db2.gz YIUOVXJAWOMHQY-KRWDZBQOSA-N 2 1 318.461 3.241 20 10 DGCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001203935323 1090843155 /nfs/dbraw/zinc/84/31/55/1090843155.db2.gz DKRWVLLEISQAAR-UHFFFAOYSA-N 2 1 303.494 3.449 20 10 DGCDMP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC001138220674 1091120149 /nfs/dbraw/zinc/12/01/49/1091120149.db2.gz MAMSWYIXGVPVLI-ICSRJNTNSA-N 2 1 313.489 3.203 20 10 DGCDMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC001138220674 1091120154 /nfs/dbraw/zinc/12/01/54/1091120154.db2.gz MAMSWYIXGVPVLI-ICSRJNTNSA-N 2 1 313.489 3.203 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@@H]1C[NH3+] ZINC001205319349 1091183561 /nfs/dbraw/zinc/18/35/61/1091183561.db2.gz ZGMARCAKMSEVSN-QAPCUYQASA-N 2 1 310.441 3.476 20 10 DGCDMP CC(C)c1ccc(O)c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001205406666 1091214539 /nfs/dbraw/zinc/21/45/39/1091214539.db2.gz SNIQTLFKVKRRNM-MRXNPFEDSA-N 2 1 320.477 3.106 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(Cl)c1 ZINC001205570001 1091257948 /nfs/dbraw/zinc/25/79/48/1091257948.db2.gz CEUIHEJUJZKPOB-MRXNPFEDSA-N 2 1 313.848 3.059 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1O ZINC001205571600 1091259711 /nfs/dbraw/zinc/25/97/11/1091259711.db2.gz VVPQUQBRJRFYEV-GOSISDBHSA-N 2 1 308.441 3.343 20 10 DGCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001205581360 1091264280 /nfs/dbraw/zinc/26/42/80/1091264280.db2.gz SSURKYSXDIJREW-CQSZACIVSA-N 2 1 320.330 3.064 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CC[C@H]1C[NH3+] ZINC001205651101 1091295724 /nfs/dbraw/zinc/29/57/24/1091295724.db2.gz ADZNJMGUEAYPAO-NEPJUHHUSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806308 1091357539 /nfs/dbraw/zinc/35/75/39/1091357539.db2.gz TWRVAYNAJJENEU-NVXWUHKLSA-N 2 1 311.473 3.465 20 10 DGCDMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806308 1091357548 /nfs/dbraw/zinc/35/75/48/1091357548.db2.gz TWRVAYNAJJENEU-NVXWUHKLSA-N 2 1 311.473 3.465 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc(C[NH+](C)C)c1O ZINC001139258053 1091502860 /nfs/dbraw/zinc/50/28/60/1091502860.db2.gz KVIFUGSSTRYAFP-RDJZCZTQSA-N 2 1 318.461 3.227 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206163894 1091516378 /nfs/dbraw/zinc/51/63/78/1091516378.db2.gz HGGDAETVBFKNTR-RBUKOAKNSA-N 2 1 315.436 3.355 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206163894 1091516383 /nfs/dbraw/zinc/51/63/83/1091516383.db2.gz HGGDAETVBFKNTR-RBUKOAKNSA-N 2 1 315.436 3.355 20 10 DGCDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)CC ZINC001139404561 1091550455 /nfs/dbraw/zinc/55/04/55/1091550455.db2.gz OPNLBKKIANDYRN-KRWDZBQOSA-N 2 1 303.494 3.449 20 10 DGCDMP COc1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c([O-])c1Cl ZINC001206327463 1091581524 /nfs/dbraw/zinc/58/15/24/1091581524.db2.gz WRKOMLUZJWSVMK-MRXNPFEDSA-N 2 1 312.841 3.005 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206556862 1091668803 /nfs/dbraw/zinc/66/88/03/1091668803.db2.gz YNGBLRQXZGBTAG-QGZVFWFLSA-N 2 1 309.885 3.357 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)c2c1 ZINC001206805713 1091748085 /nfs/dbraw/zinc/74/80/85/1091748085.db2.gz CRQVZALISDXYQH-UONOGXRCSA-N 2 1 314.429 3.113 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C)C[C@H]3C)cc2)CC1 ZINC001140303833 1091820475 /nfs/dbraw/zinc/82/04/75/1091820475.db2.gz BKPBKGOCKRYNQJ-ZWKOTPCHSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001140305551 1091820965 /nfs/dbraw/zinc/82/09/65/1091820965.db2.gz BWABOIUBRZYYBJ-SFHVURJKSA-N 2 1 315.505 3.451 20 10 DGCDMP Oc1c(F)cccc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276538583 1092004451 /nfs/dbraw/zinc/00/44/51/1092004451.db2.gz WLJGFUJWOYCFOV-UHFFFAOYSA-N 2 1 318.436 3.372 20 10 DGCDMP COc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001276806129 1094992451 /nfs/dbraw/zinc/99/24/51/1094992451.db2.gz HFDBVPVOCJCUMA-IBGZPJMESA-N 2 1 318.461 3.017 20 10 DGCDMP COc1cc(C)c(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(O)c1 ZINC001276806129 1094992460 /nfs/dbraw/zinc/99/24/60/1094992460.db2.gz HFDBVPVOCJCUMA-IBGZPJMESA-N 2 1 318.461 3.017 20 10 DGCDMP COc1cc(C)c(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c(O)c1 ZINC001276806129 1094992467 /nfs/dbraw/zinc/99/24/67/1094992467.db2.gz HFDBVPVOCJCUMA-IBGZPJMESA-N 2 1 318.461 3.017 20 10 DGCDMP CCOc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(O)c1 ZINC001276814097 1095107701 /nfs/dbraw/zinc/10/77/01/1095107701.db2.gz DUHCNQSSSAIXAR-UHFFFAOYSA-N 2 1 318.461 3.099 20 10 DGCDMP CCOc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c(O)c1 ZINC001276814242 1095111918 /nfs/dbraw/zinc/11/19/18/1095111918.db2.gz FOZOZQONDAWVGO-LJQANCHMSA-N 2 1 318.461 3.099 20 10 DGCDMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1O ZINC001222278173 1095526799 /nfs/dbraw/zinc/52/67/99/1095526799.db2.gz XMULQZDLUIQKCX-QGZVFWFLSA-N 2 1 308.853 3.320 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1O ZINC001222278173 1095526807 /nfs/dbraw/zinc/52/68/07/1095526807.db2.gz XMULQZDLUIQKCX-QGZVFWFLSA-N 2 1 308.853 3.320 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc1N(C)C ZINC001222314798 1095545380 /nfs/dbraw/zinc/54/53/80/1095545380.db2.gz IOGUWEQPFVZEQY-LJQANCHMSA-N 2 1 301.478 3.169 20 10 DGCDMP C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116444986 1095555574 /nfs/dbraw/zinc/55/55/74/1095555574.db2.gz KPTWBHNDRFFBDG-HZPDHXFCSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116444986 1095555584 /nfs/dbraw/zinc/55/55/84/1095555584.db2.gz KPTWBHNDRFFBDG-HZPDHXFCSA-N 2 1 319.468 3.198 20 10 DGCDMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001276837119 1095749893 /nfs/dbraw/zinc/74/98/93/1095749893.db2.gz GGWHXBHAUMLJHG-UHFFFAOYSA-N 2 1 312.816 3.102 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1O ZINC001206317074 1098709654 /nfs/dbraw/zinc/70/96/54/1098709654.db2.gz CGVDMQHPKPNXFI-INIZCTEOSA-N 2 1 312.841 3.005 20 10 DGCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)c3O)C[C@@H]2C1 ZINC001234996682 1098739986 /nfs/dbraw/zinc/73/99/86/1098739986.db2.gz MFXCUZHYVNVVRX-HDICACEKSA-N 2 1 308.425 3.053 20 10 DGCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3O)C[C@@H]2C1 ZINC001234996682 1098739997 /nfs/dbraw/zinc/73/99/97/1098739997.db2.gz MFXCUZHYVNVVRX-HDICACEKSA-N 2 1 308.425 3.053 20 10 DGCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3O)C[C@@H]2C1 ZINC001234996682 1098740007 /nfs/dbraw/zinc/74/00/07/1098740007.db2.gz MFXCUZHYVNVVRX-HDICACEKSA-N 2 1 308.425 3.053 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC001235030038 1098759117 /nfs/dbraw/zinc/75/91/17/1098759117.db2.gz DUJLPLOUITYHMP-FQEVSTJZSA-N 2 1 309.457 3.091 20 10 DGCDMP CN1CCCc2cc(C[N@H+]3CCC[C@]4(CCC[NH2+]4)CC3)ccc21 ZINC001235042336 1098769810 /nfs/dbraw/zinc/76/98/10/1098769810.db2.gz ALQVYVFNNMYFMR-HXUWFJFHSA-N 2 1 313.489 3.177 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c2ccccc21 ZINC001235091968 1098795097 /nfs/dbraw/zinc/79/50/97/1098795097.db2.gz GOWZUKDGOBPHNA-UHFFFAOYSA-N 2 1 323.484 3.481 20 10 DGCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001206326978 1098805410 /nfs/dbraw/zinc/80/54/10/1098805410.db2.gz RBUIFZKFOFOFJA-OAHLLOKOSA-N 2 1 300.805 3.136 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1Cl ZINC001235190554 1098868127 /nfs/dbraw/zinc/86/81/27/1098868127.db2.gz VTFVJXHCPYRZRH-UHFFFAOYSA-N 2 1 308.853 3.462 20 10 DGCDMP Cc1cccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c1O ZINC001235251506 1098925179 /nfs/dbraw/zinc/92/51/79/1098925179.db2.gz UEGXAPBJUONHOB-TZIWHRDSSA-N 2 1 322.452 3.422 20 10 DGCDMP Cc1cccc(O)c1C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235255004 1098927171 /nfs/dbraw/zinc/92/71/71/1098927171.db2.gz TUJSFBQUTHLNKQ-TZIWHRDSSA-N 2 1 322.452 3.422 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c2ccccc21 ZINC001235270907 1098940532 /nfs/dbraw/zinc/94/05/32/1098940532.db2.gz NTBUSHNVBBLLEZ-VQIMIIECSA-N 2 1 309.457 3.090 20 10 DGCDMP Oc1cc(Cl)c(Cl)cc1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235338224 1098961979 /nfs/dbraw/zinc/96/19/79/1098961979.db2.gz DQSLADPEUPYRCN-UHFFFAOYSA-N 2 1 315.244 3.130 20 10 DGCDMP CC(C)(C)c1cc(O)c(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1Cl ZINC001235340812 1098964297 /nfs/dbraw/zinc/96/42/97/1098964297.db2.gz MNNHSWGFNXRZQY-GFCCVEGCSA-N 2 1 322.880 3.384 20 10 DGCDMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1O ZINC001235428673 1099023206 /nfs/dbraw/zinc/02/32/06/1099023206.db2.gz OSGWSZSAGPOJDG-SJORKVTESA-N 2 1 302.462 3.221 20 10 DGCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccccc1)C[NH2+]CCO2 ZINC001235675256 1099118855 /nfs/dbraw/zinc/11/88/55/1099118855.db2.gz SYQHCFJLXYMQTF-SFHVURJKSA-N 2 1 324.424 3.211 20 10 DGCDMP COc1ccc2c(c1)c1c(n2C)CC[N@H+](CCCCCC[NH3+])C1 ZINC001235839128 1099203254 /nfs/dbraw/zinc/20/32/54/1099203254.db2.gz KIVRRBNGVLAWMN-UHFFFAOYSA-N 2 1 315.461 3.064 20 10 DGCDMP Cc1ccc(O)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236375390 1099564201 /nfs/dbraw/zinc/56/42/01/1099564201.db2.gz JVENNAACJIZAFK-INIZCTEOSA-N 2 1 302.462 3.445 20 10 DGCDMP CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236933928 1099882795 /nfs/dbraw/zinc/88/27/95/1099882795.db2.gz AXKDKRHIGYWXGV-QGZVFWFLSA-N 2 1 319.468 3.342 20 10 DGCDMP C[C@@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236932424 1099883103 /nfs/dbraw/zinc/88/31/03/1099883103.db2.gz OPSSRIRJWITXHX-MRXNPFEDSA-N 2 1 319.468 3.200 20 10 DGCDMP C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947407 1102767308 /nfs/dbraw/zinc/76/73/08/1102767308.db2.gz XUVGCJNACXVNIA-YJBOKZPZSA-N 2 1 314.473 3.364 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246901875 1104728602 /nfs/dbraw/zinc/72/86/02/1104728602.db2.gz PMJIIQJEUOCMFD-MSOLQXFVSA-N 2 1 303.494 3.351 20 10 DGCDMP CCCC[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246902305 1104728771 /nfs/dbraw/zinc/72/87/71/1104728771.db2.gz RBNMWMLQLUHKLB-PKOBYXMFSA-N 2 1 303.494 3.495 20 10 DGCDMP CC[C@@H]1CC([N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@@H](CC)[NH2+]1 ZINC001246901097 1104729139 /nfs/dbraw/zinc/72/91/39/1104729139.db2.gz KMARENHPUWCUSS-IAGOWNOFSA-N 2 1 303.494 3.494 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)cc1 ZINC001275833253 1104925859 /nfs/dbraw/zinc/92/58/59/1104925859.db2.gz DXJJRBAKUMSLCC-IBGZPJMESA-N 2 1 301.478 3.060 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001275833253 1104925861 /nfs/dbraw/zinc/92/58/61/1104925861.db2.gz DXJJRBAKUMSLCC-IBGZPJMESA-N 2 1 301.478 3.060 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001275833253 1104925865 /nfs/dbraw/zinc/92/58/65/1104925865.db2.gz DXJJRBAKUMSLCC-IBGZPJMESA-N 2 1 301.478 3.060 20 10 DGCDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001275959463 1104968525 /nfs/dbraw/zinc/96/85/25/1104968525.db2.gz AZNVQLDQUAIGFZ-FQEVSTJZSA-N 2 1 313.489 3.205 20 10 DGCDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001275959463 1104968530 /nfs/dbraw/zinc/96/85/30/1104968530.db2.gz AZNVQLDQUAIGFZ-FQEVSTJZSA-N 2 1 313.489 3.205 20 10 DGCDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001275959463 1104968532 /nfs/dbraw/zinc/96/85/32/1104968532.db2.gz AZNVQLDQUAIGFZ-FQEVSTJZSA-N 2 1 313.489 3.205 20 10 DGCDMP Cc1ccc(C)c(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1O ZINC001275965332 1104969996 /nfs/dbraw/zinc/96/99/96/1104969996.db2.gz BIULXYLBPXVHPC-LJQANCHMSA-N 2 1 302.462 3.317 20 10 DGCDMP Cc1ccc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1O ZINC001275965332 1104970000 /nfs/dbraw/zinc/97/00/00/1104970000.db2.gz BIULXYLBPXVHPC-LJQANCHMSA-N 2 1 302.462 3.317 20 10 DGCDMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1O ZINC001275965332 1104970004 /nfs/dbraw/zinc/97/00/04/1104970004.db2.gz BIULXYLBPXVHPC-LJQANCHMSA-N 2 1 302.462 3.317 20 10 DGCDMP Oc1ccccc1C[NH+]1CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC001255015777 1106166090 /nfs/dbraw/zinc/16/60/90/1106166090.db2.gz HGEFOHSFRJSWDY-UHFFFAOYSA-N 2 1 322.452 3.114 20 10 DGCDMP CC[C@@H](C)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320498117 1107028051 /nfs/dbraw/zinc/02/80/51/1107028051.db2.gz QYEVYZOUEVLFRV-OAHLLOKOSA-N 2 1 307.457 3.055 20 10 DGCDMP CC[C@@H](C)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320498117 1107028039 /nfs/dbraw/zinc/02/80/39/1107028039.db2.gz QYEVYZOUEVLFRV-OAHLLOKOSA-N 2 1 307.457 3.055 20 10 DGCDMP C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001321101279 1107249631 /nfs/dbraw/zinc/24/96/31/1107249631.db2.gz QRFLBRLSGNFSFO-JKSUJKDBSA-N 2 1 319.468 3.103 20 10 DGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001321650993 1107404713 /nfs/dbraw/zinc/40/47/13/1107404713.db2.gz RUQWAAJLISPWDS-INIZCTEOSA-N 2 1 312.461 3.218 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC(C)(C)C3)cc2)CC1 ZINC001324394804 1108273742 /nfs/dbraw/zinc/27/37/42/1108273742.db2.gz HIKXYORLHFCZBM-UHFFFAOYSA-N 2 1 301.478 3.060 20 10 DGCDMP CCc1cccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c1O ZINC001308917669 1111493289 /nfs/dbraw/zinc/49/32/89/1111493289.db2.gz DMWWBGSVTKOPPF-HNNXBMFYSA-N 2 1 311.429 3.060 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC)C2)c(O)c1 ZINC000093742339 431917077 /nfs/dbraw/zinc/91/70/77/431917077.db2.gz BQSPBLJIZBMYDX-INIZCTEOSA-N 2 1 320.477 3.345 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC)C2)c(O)c1 ZINC000093742339 431917078 /nfs/dbraw/zinc/91/70/78/431917078.db2.gz BQSPBLJIZBMYDX-INIZCTEOSA-N 2 1 320.477 3.345 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC)C2)c(O)c1 ZINC000093742339 431917080 /nfs/dbraw/zinc/91/70/80/431917080.db2.gz BQSPBLJIZBMYDX-INIZCTEOSA-N 2 1 320.477 3.345 20 10 DGCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)[C@H](C)C1 ZINC000183515060 432298755 /nfs/dbraw/zinc/29/87/55/432298755.db2.gz KVLBRBOPCKJWIC-SOLBZPMBSA-N 2 1 320.477 3.180 20 10 DGCDMP C[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272183385 432457365 /nfs/dbraw/zinc/45/73/65/432457365.db2.gz KNSVTZPQIHCRBO-VQIMIIECSA-N 2 1 310.441 3.392 20 10 DGCDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000263674598 432565241 /nfs/dbraw/zinc/56/52/41/432565241.db2.gz KSDMMNFNQWPBTP-INIZCTEOSA-N 2 1 310.441 3.491 20 10 DGCDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215585 432724478 /nfs/dbraw/zinc/72/44/78/432724478.db2.gz BTQBJKINLQTVMY-FXAWDEMLSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215585 432724480 /nfs/dbraw/zinc/72/44/80/432724480.db2.gz BTQBJKINLQTVMY-FXAWDEMLSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215585 432724482 /nfs/dbraw/zinc/72/44/82/432724482.db2.gz BTQBJKINLQTVMY-FXAWDEMLSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215585 432724486 /nfs/dbraw/zinc/72/44/86/432724486.db2.gz BTQBJKINLQTVMY-FXAWDEMLSA-N 2 1 315.505 3.449 20 10 DGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000178698590 432768711 /nfs/dbraw/zinc/76/87/11/432768711.db2.gz LPAXRYYTNDUZHG-CABCVRRESA-N 2 1 300.450 3.244 20 10 DGCDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296954268 432942199 /nfs/dbraw/zinc/94/21/99/432942199.db2.gz QWOXWCUVQFUNJB-WBVHZDCISA-N 2 1 302.462 3.337 20 10 DGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000296048934 434491581 /nfs/dbraw/zinc/49/15/81/434491581.db2.gz UZKALJKLAVBEEU-DJXYKJKZSA-N 2 1 301.478 3.419 20 10 DGCDMP CCN(C)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000296048939 434492219 /nfs/dbraw/zinc/49/22/19/434492219.db2.gz UZKALJKLAVBEEU-NMACRGETSA-N 2 1 301.478 3.419 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1F ZINC000742385872 574995344 /nfs/dbraw/zinc/99/53/44/574995344.db2.gz ZJQUHXCEACBORD-CRAIPNDOSA-N 2 1 321.484 3.492 20 10 DGCDMP CCOc1ccc(O)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853093533 620668070 /nfs/dbraw/zinc/66/80/70/620668070.db2.gz MJKDPFCXKUAYNK-MRXNPFEDSA-N 2 1 318.461 3.003 20 10 DGCDMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000903955413 619846653 /nfs/dbraw/zinc/84/66/53/619846653.db2.gz RGYFAZVRXORWEJ-MRXNPFEDSA-N 2 1 323.431 3.011 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841086256 620223541 /nfs/dbraw/zinc/22/35/41/620223541.db2.gz GRTMPRZDJRSMQZ-LPHOPBHVSA-N 2 1 301.478 3.025 20 10 DGCDMP c1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000922268369 621015382 /nfs/dbraw/zinc/01/53/82/621015382.db2.gz FCNKFSIOFDZRMF-SFHVURJKSA-N 2 1 314.473 3.223 20 10 DGCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4c(cc3O)CCC4)C2)CC1 ZINC000755780074 621592986 /nfs/dbraw/zinc/59/29/86/621592986.db2.gz MHZPNYNZIJGVEN-SFHVURJKSA-N 2 1 314.473 3.045 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756611145 621652724 /nfs/dbraw/zinc/65/27/24/621652724.db2.gz KEPOWSMPXSUDHX-JKIFEVAISA-N 2 1 302.462 3.404 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756611145 621652725 /nfs/dbraw/zinc/65/27/25/621652725.db2.gz KEPOWSMPXSUDHX-JKIFEVAISA-N 2 1 302.462 3.404 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000767359219 622393090 /nfs/dbraw/zinc/39/30/90/622393090.db2.gz GEFXFXQZFIXNRD-SFHVURJKSA-N 2 1 303.494 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000767359219 622393092 /nfs/dbraw/zinc/39/30/92/622393092.db2.gz GEFXFXQZFIXNRD-SFHVURJKSA-N 2 1 303.494 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000767359219 622393094 /nfs/dbraw/zinc/39/30/94/622393094.db2.gz GEFXFXQZFIXNRD-SFHVURJKSA-N 2 1 303.494 3.449 20 10 DGCDMP CCOc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(O)c1 ZINC000769483182 622532471 /nfs/dbraw/zinc/53/24/71/622532471.db2.gz NPJMSJCKLSFAPY-MRXNPFEDSA-N 2 1 306.450 3.097 20 10 DGCDMP CCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(O)c1 ZINC000769483182 622532473 /nfs/dbraw/zinc/53/24/73/622532473.db2.gz NPJMSJCKLSFAPY-MRXNPFEDSA-N 2 1 306.450 3.097 20 10 DGCDMP CCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(O)c1 ZINC000769483182 622532475 /nfs/dbraw/zinc/53/24/75/622532475.db2.gz NPJMSJCKLSFAPY-MRXNPFEDSA-N 2 1 306.450 3.097 20 10 DGCDMP COc1cc(C)cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1O ZINC000872644717 622947018 /nfs/dbraw/zinc/94/70/18/622947018.db2.gz KAQXVYDXNCVNCV-UHFFFAOYSA-N 2 1 318.461 3.160 20 10 DGCDMP Cc1cccc(O)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000876810520 623712166 /nfs/dbraw/zinc/71/21/66/623712166.db2.gz ANJPUINYTUSPRM-CRAIPNDOSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1cccc(O)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000876810520 623712167 /nfs/dbraw/zinc/71/21/67/623712167.db2.gz ANJPUINYTUSPRM-CRAIPNDOSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1cccc(O)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000876810520 623712169 /nfs/dbraw/zinc/71/21/69/623712169.db2.gz ANJPUINYTUSPRM-CRAIPNDOSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877486783 623907887 /nfs/dbraw/zinc/90/78/87/623907887.db2.gz NKIUIXWPQIMGNR-SFHVURJKSA-N 2 1 310.441 3.312 20 10 DGCDMP CCOc1cccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1O ZINC000877673236 623987260 /nfs/dbraw/zinc/98/72/60/623987260.db2.gz CTABARXPRQQTBG-UHFFFAOYSA-N 2 1 318.461 3.241 20 10 DGCDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000877741272 624013242 /nfs/dbraw/zinc/01/32/42/624013242.db2.gz AEMUXDSNVKWFNY-UYAOXDASSA-N 2 1 313.489 3.203 20 10 DGCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000877741272 624013246 /nfs/dbraw/zinc/01/32/46/624013246.db2.gz AEMUXDSNVKWFNY-UYAOXDASSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000877741272 624013247 /nfs/dbraw/zinc/01/32/47/624013247.db2.gz AEMUXDSNVKWFNY-UYAOXDASSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@H]21 ZINC000877741272 624013249 /nfs/dbraw/zinc/01/32/49/624013249.db2.gz AEMUXDSNVKWFNY-UYAOXDASSA-N 2 1 313.489 3.203 20 10 DGCDMP COc1cccc(O)c1C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877795394 624036367 /nfs/dbraw/zinc/03/63/67/624036367.db2.gz JKQWGIKGBNPTHV-UHFFFAOYSA-N 2 1 318.461 3.241 20 10 DGCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc4ccccc4c3O)CC[C@H]21 ZINC000816521239 627801439 /nfs/dbraw/zinc/80/14/39/627801439.db2.gz KLUPJGIADMOLFN-QFBILLFUSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)CC[C@H]21 ZINC000816521239 627801443 /nfs/dbraw/zinc/80/14/43/627801443.db2.gz KLUPJGIADMOLFN-QFBILLFUSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CC[C@H]21 ZINC000816521239 627801446 /nfs/dbraw/zinc/80/14/46/627801446.db2.gz KLUPJGIADMOLFN-QFBILLFUSA-N 2 1 310.441 3.462 20 10 DGCDMP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000817953268 627973159 /nfs/dbraw/zinc/97/31/59/627973159.db2.gz YFJIBWMYPBAFSJ-IEBWSBKVSA-N 2 1 310.441 3.408 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000835026452 629827993 /nfs/dbraw/zinc/82/79/93/629827993.db2.gz WSOWXFMZEVLPMY-YEODSOHDSA-N 2 1 301.478 3.039 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000835026452 629828009 /nfs/dbraw/zinc/82/80/09/629828009.db2.gz WSOWXFMZEVLPMY-YEODSOHDSA-N 2 1 301.478 3.039 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000835026452 629828017 /nfs/dbraw/zinc/82/80/17/629828017.db2.gz WSOWXFMZEVLPMY-YEODSOHDSA-N 2 1 301.478 3.039 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000835026452 629828026 /nfs/dbraw/zinc/82/80/26/629828026.db2.gz WSOWXFMZEVLPMY-YEODSOHDSA-N 2 1 301.478 3.039 20 10 DGCDMP CC[N@H+]1CCC[C@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835035245 629830295 /nfs/dbraw/zinc/83/02/95/629830295.db2.gz FADIEOGVTHEURB-LZCIBIBXSA-N 2 1 301.478 3.087 20 10 DGCDMP CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000843051709 630608908 /nfs/dbraw/zinc/60/89/08/630608908.db2.gz KSAYTYBGHVUEKG-VQIMIIECSA-N 2 1 303.494 3.482 20 10 DGCDMP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1O ZINC000843127253 630616996 /nfs/dbraw/zinc/61/69/96/630616996.db2.gz PBTIIIGFNADPBC-JKSUJKDBSA-N 2 1 318.461 3.003 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000843127461 630617274 /nfs/dbraw/zinc/61/72/74/630617274.db2.gz REZKLNYHIVVWPN-IRXDYDNUSA-N 2 1 319.468 3.103 20 10 DGCDMP COc1cccc([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000846140368 631211525 /nfs/dbraw/zinc/21/15/25/631211525.db2.gz PKGMKHAJJDLPHR-XHSDSOJGSA-N 2 1 320.477 3.419 20 10 DGCDMP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000846155974 631212494 /nfs/dbraw/zinc/21/24/94/631212494.db2.gz JLEDUOVQPXTYOO-CVEARBPZSA-N 2 1 320.477 3.419 20 10 DGCDMP CCc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1O ZINC000848889387 631773222 /nfs/dbraw/zinc/77/32/22/631773222.db2.gz JIEQAMGYPBGSLF-INIZCTEOSA-N 2 1 302.462 3.118 20 10 DGCDMP CCc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1O ZINC000848889387 631773223 /nfs/dbraw/zinc/77/32/23/631773223.db2.gz JIEQAMGYPBGSLF-INIZCTEOSA-N 2 1 302.462 3.118 20 10 DGCDMP CCc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1O ZINC000848889387 631773225 /nfs/dbraw/zinc/77/32/25/631773225.db2.gz JIEQAMGYPBGSLF-INIZCTEOSA-N 2 1 302.462 3.118 20 10 DGCDMP Nc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000071428885 655614248 /nfs/dbraw/zinc/61/42/48/655614248.db2.gz CQBZSHQYDKQEFX-UHFFFAOYSA-N 2 1 309.457 3.066 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000164408998 658934366 /nfs/dbraw/zinc/93/43/66/658934366.db2.gz URYFBCPKPLKMLP-KRWDZBQOSA-N 2 1 302.462 3.317 20 10 DGCDMP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000192872411 662113656 /nfs/dbraw/zinc/11/36/56/662113656.db2.gz PBBMCDCJHNLBLE-GJZGRUSLSA-N 2 1 306.450 3.316 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001580888615 1192044099 /nfs/dbraw/zinc/04/40/99/1192044099.db2.gz RWAZWDSMNJWDOT-UHFFFAOYSA-N 2 1 312.816 3.150 20 10 DGCDMP Nc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC001356083538 1181138918 /nfs/dbraw/zinc/13/89/18/1181138918.db2.gz RREHKXDSTPVBEY-UHFFFAOYSA-N 2 1 310.445 3.181 20 10 DGCDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(Cl)cc2O)C1 ZINC001474348765 1183907397 /nfs/dbraw/zinc/90/73/97/1183907397.db2.gz LCHBWOKKQWLMML-AWEZNQCLSA-N 2 1 308.853 3.209 20 10 DGCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474348765 1183907403 /nfs/dbraw/zinc/90/74/03/1183907403.db2.gz LCHBWOKKQWLMML-AWEZNQCLSA-N 2 1 308.853 3.209 20 10 DGCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474348765 1183907405 /nfs/dbraw/zinc/90/74/05/1183907405.db2.gz LCHBWOKKQWLMML-AWEZNQCLSA-N 2 1 308.853 3.209 20 10 DGCDMP CC(C)c1ccc(O)c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC001474646893 1183954636 /nfs/dbraw/zinc/95/46/36/1183954636.db2.gz YHONXMJCCDTKFI-GOSISDBHSA-N 2 1 320.477 3.058 20 10 DGCDMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC001621108431 1193803372 /nfs/dbraw/zinc/80/33/72/1193803372.db2.gz OVMKARWJIQQMTL-DFQSSKMNSA-N 2 1 313.489 3.107 20 10 DGCDMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001656750115 1196068453 /nfs/dbraw/zinc/06/84/53/1196068453.db2.gz QULPYMKFYAZALE-NVXWUHKLSA-N 2 1 319.468 3.246 20 10 DGCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c(C)cc(OC)cc1O ZINC001658016007 1196202938 /nfs/dbraw/zinc/20/29/38/1196202938.db2.gz YABJAOLJRCOWRM-UHFFFAOYSA-N 2 1 306.450 3.017 20 10 DGCDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@H]2C1 ZINC001660892234 1196539347 /nfs/dbraw/zinc/53/93/47/1196539347.db2.gz HYPKSQGEPBRNOZ-JGGQBBKZSA-N 2 1 308.853 3.208 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@]3(C)CC3(C)C)cc2F)CC1 ZINC001663164852 1196803398 /nfs/dbraw/zinc/80/33/98/1196803398.db2.gz HHINRZFQOVGADL-IBGZPJMESA-N 2 1 319.468 3.103 20 10 DGCDMP CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001663554646 1196903098 /nfs/dbraw/zinc/90/30/98/1196903098.db2.gz JKUKLHBZAAHYOO-INIZCTEOSA-N 2 1 302.462 3.433 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000315573668 1199807406 /nfs/dbraw/zinc/80/74/06/1199807406.db2.gz PVBWQJMHXDPRAG-WCVJEAGWSA-N 2 1 300.446 3.465 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000315573668 1199807408 /nfs/dbraw/zinc/80/74/08/1199807408.db2.gz PVBWQJMHXDPRAG-WCVJEAGWSA-N 2 1 300.446 3.465 20 10 DGCDMP CN1CCCc2cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)ccc21 ZINC000323049623 1081768120 /nfs/dbraw/zinc/76/81/20/1081768120.db2.gz QHYHLEFSRKECDH-HXUWFJFHSA-N 2 1 313.489 3.035 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC[NH+](CC2CC2)CC1 ZINC001168389100 1087548384 /nfs/dbraw/zinc/54/83/84/1087548384.db2.gz KCSYKVUNQWEPLI-UHFFFAOYSA-N 2 1 315.505 3.449 20 10 DGCDMP COc1cccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1O ZINC001203596566 1090764041 /nfs/dbraw/zinc/76/40/41/1090764041.db2.gz IYJNWZUFSNTLRL-IRXDYDNUSA-N 2 1 318.461 3.240 20 10 DGCDMP COc1cccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1O ZINC001203596566 1090764046 /nfs/dbraw/zinc/76/40/46/1090764046.db2.gz IYJNWZUFSNTLRL-IRXDYDNUSA-N 2 1 318.461 3.240 20 10 DGCDMP COc1cccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1O ZINC001203596566 1090764049 /nfs/dbraw/zinc/76/40/49/1090764049.db2.gz IYJNWZUFSNTLRL-IRXDYDNUSA-N 2 1 318.461 3.240 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c2ccccc21 ZINC001204240257 1090931322 /nfs/dbraw/zinc/93/13/22/1090931322.db2.gz MKAGDAKDNDQVJA-DYESRHJHSA-N 2 1 323.484 3.289 20 10 DGCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001205266710 1091157267 /nfs/dbraw/zinc/15/72/67/1091157267.db2.gz WMQXPFSEHKSZME-LJQANCHMSA-N 2 1 301.478 3.380 20 10 DGCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001205581356 1091264555 /nfs/dbraw/zinc/26/45/55/1091264555.db2.gz SSURKYSXDIJREW-AWEZNQCLSA-N 2 1 320.330 3.064 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C[NH3+] ZINC001205602671 1091273786 /nfs/dbraw/zinc/27/37/86/1091273786.db2.gz LGIUPIHPFNXFKC-FUHWJXTLSA-N 2 1 301.478 3.094 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@H]1C[NH3+] ZINC001205625961 1091286609 /nfs/dbraw/zinc/28/66/09/1091286609.db2.gz DAOWPOLOGIBUBR-CABCVRRESA-N 2 1 304.478 3.497 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(OC)c1 ZINC001205901327 1091400494 /nfs/dbraw/zinc/40/04/94/1091400494.db2.gz CMBSGPATONBLJS-JKSUJKDBSA-N 2 1 319.493 3.101 20 10 DGCDMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001205922850 1091415350 /nfs/dbraw/zinc/41/53/50/1091415350.db2.gz BVRVIHKIIUFMDC-UONOGXRCSA-N 2 1 316.445 3.136 20 10 DGCDMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001205922848 1091415428 /nfs/dbraw/zinc/41/54/28/1091415428.db2.gz BVRVIHKIIUFMDC-KBPBESRZSA-N 2 1 316.445 3.136 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@](C)(F)CC2)cc(C[NH+](C)C)c1O ZINC001139253507 1091501721 /nfs/dbraw/zinc/50/17/21/1091501721.db2.gz WHIAKSJGEQCUAJ-SFHVURJKSA-N 2 1 324.440 3.177 20 10 DGCDMP CCCC[N@@H+](CCC)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139257617 1091502121 /nfs/dbraw/zinc/50/21/21/1091502121.db2.gz ZLABAWRIMZEQNQ-UHFFFAOYSA-N 2 1 308.466 3.475 20 10 DGCDMP CCC[N@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)CC(C)C ZINC001139259550 1091503528 /nfs/dbraw/zinc/50/35/28/1091503528.db2.gz VQCLMNPHLCXOAI-UHFFFAOYSA-N 2 1 308.466 3.330 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@H]2C(C)C)cc(C[NH+](C)C)c1O ZINC001139259066 1091503650 /nfs/dbraw/zinc/50/36/50/1091503650.db2.gz GYOPNSVWZZVLDY-INIZCTEOSA-N 2 1 306.450 3.083 20 10 DGCDMP CN1CCCc2cc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)ccc21 ZINC001206304557 1091570771 /nfs/dbraw/zinc/57/07/71/1091570771.db2.gz MMLQKPKEEYNFDG-LJQANCHMSA-N 2 1 301.478 3.020 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC([N@H+](C)CC)CC2)c(O)c1 ZINC001140857091 1092033665 /nfs/dbraw/zinc/03/36/65/1092033665.db2.gz LQRPTNXGAIDFGG-UHFFFAOYSA-N 2 1 319.493 3.155 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC([N@@H+](C)CC)CC2)c(O)c1 ZINC001140857091 1092033674 /nfs/dbraw/zinc/03/36/74/1092033674.db2.gz LQRPTNXGAIDFGG-UHFFFAOYSA-N 2 1 319.493 3.155 20 10 DGCDMP Oc1cccc2c1C[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208951865 1092608051 /nfs/dbraw/zinc/60/80/51/1092608051.db2.gz FIWMQGGDVFJRJP-SFHVURJKSA-N 2 1 322.452 3.272 20 10 DGCDMP Oc1cccc2c1C[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208951865 1092608054 /nfs/dbraw/zinc/60/80/54/1092608054.db2.gz FIWMQGGDVFJRJP-SFHVURJKSA-N 2 1 322.452 3.272 20 10 DGCDMP Oc1cccc2c1C[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208951865 1092608055 /nfs/dbraw/zinc/60/80/55/1092608055.db2.gz FIWMQGGDVFJRJP-SFHVURJKSA-N 2 1 322.452 3.272 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c2ccccc21 ZINC001222141999 1095453189 /nfs/dbraw/zinc/45/31/89/1095453189.db2.gz UUXDUEBYLZTQTE-OAQYLSRUSA-N 2 1 323.484 3.481 20 10 DGCDMP Oc1c(F)cccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161077 1095466180 /nfs/dbraw/zinc/46/61/80/1095466180.db2.gz KOVZVFPTGKMDDM-SFHVURJKSA-N 2 1 306.425 3.277 20 10 DGCDMP Oc1c(F)cccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161077 1095466185 /nfs/dbraw/zinc/46/61/85/1095466185.db2.gz KOVZVFPTGKMDDM-SFHVURJKSA-N 2 1 306.425 3.277 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222160284 1095466256 /nfs/dbraw/zinc/46/62/56/1095466256.db2.gz DSDNUALITGUMKR-FQEVSTJZSA-N 2 1 315.505 3.498 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222252874 1095512440 /nfs/dbraw/zinc/51/24/40/1095512440.db2.gz LIJPAKBIYWFVEX-IBGZPJMESA-N 2 1 302.462 3.408 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1 ZINC001222252874 1095512452 /nfs/dbraw/zinc/51/24/52/1095512452.db2.gz LIJPAKBIYWFVEX-IBGZPJMESA-N 2 1 302.462 3.408 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265157 1095519352 /nfs/dbraw/zinc/51/93/52/1095519352.db2.gz PEUMGMLCTWSODX-HXUWFJFHSA-N 2 1 313.489 3.252 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1Cl ZINC001222270839 1095523420 /nfs/dbraw/zinc/52/34/20/1095523420.db2.gz AGYBMEBTVRTZKJ-QGZVFWFLSA-N 2 1 308.853 3.320 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1Cl ZINC001222270839 1095523430 /nfs/dbraw/zinc/52/34/30/1095523430.db2.gz AGYBMEBTVRTZKJ-QGZVFWFLSA-N 2 1 308.853 3.320 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1Cl ZINC001222270838 1095524022 /nfs/dbraw/zinc/52/40/22/1095524022.db2.gz AGYBMEBTVRTZKJ-KRWDZBQOSA-N 2 1 308.853 3.320 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1Cl ZINC001222270838 1095524032 /nfs/dbraw/zinc/52/40/32/1095524032.db2.gz AGYBMEBTVRTZKJ-KRWDZBQOSA-N 2 1 308.853 3.320 20 10 DGCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCCCC1 ZINC001116439199 1095550424 /nfs/dbraw/zinc/55/04/24/1095550424.db2.gz MJZAJCLWNTXLOH-UHFFFAOYSA-N 2 1 319.468 3.342 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCCCC1 ZINC001116439199 1095550430 /nfs/dbraw/zinc/55/04/30/1095550430.db2.gz MJZAJCLWNTXLOH-UHFFFAOYSA-N 2 1 319.468 3.342 20 10 DGCDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(N3CCCC3)cc1)CC[NH2+]CC2 ZINC001118076067 1095930027 /nfs/dbraw/zinc/93/00/27/1095930027.db2.gz KLGWROQUTMWZNT-QGZVFWFLSA-N 2 1 313.489 3.251 20 10 DGCDMP C[C@H]1CC2(C[N@H+]1Cc1ccc(N3CCCC3)cc1)CC[NH2+]CC2 ZINC001118076066 1095930136 /nfs/dbraw/zinc/93/01/36/1095930136.db2.gz KLGWROQUTMWZNT-KRWDZBQOSA-N 2 1 313.489 3.251 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322553629 1096729374 /nfs/dbraw/zinc/72/93/74/1096729374.db2.gz BPUNGLOXQYPGPE-SDKNFDLMSA-N 2 1 300.446 3.464 20 10 DGCDMP CC(C)OCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001172439455 1097153997 /nfs/dbraw/zinc/15/39/97/1097153997.db2.gz DTPNZDDZZKINCI-MRXNPFEDSA-N 2 1 320.477 3.150 20 10 DGCDMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4ccccc4c3O)C2)CC1 ZINC001231881303 1097878044 /nfs/dbraw/zinc/87/80/44/1097878044.db2.gz UWDBPMMDZYRARA-UHFFFAOYSA-N 2 1 310.441 3.463 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1 ZINC001175775501 1098167718 /nfs/dbraw/zinc/16/77/18/1098167718.db2.gz RITQHWIUPWWUFS-KRWDZBQOSA-N 2 1 324.472 3.248 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1Cl ZINC001235041192 1098769197 /nfs/dbraw/zinc/76/91/97/1098769197.db2.gz YASNYIAPXWMDPF-QGZVFWFLSA-N 2 1 308.853 3.462 20 10 DGCDMP Cc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)ccc1N(C)C ZINC001235152136 1098837748 /nfs/dbraw/zinc/83/77/48/1098837748.db2.gz CRWWLXLIJBPGFX-FQEVSTJZSA-N 2 1 315.505 3.415 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235158123 1098843730 /nfs/dbraw/zinc/84/37/30/1098843730.db2.gz USUSHCBESAIEFJ-LJQANCHMSA-N 2 1 301.478 3.107 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001235342936 1098967511 /nfs/dbraw/zinc/96/75/11/1098967511.db2.gz YCAAKLDDPNCGHH-SFHVURJKSA-N 2 1 309.457 3.135 20 10 DGCDMP Cc1cc(F)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1O ZINC001235420615 1099012275 /nfs/dbraw/zinc/01/22/75/1099012275.db2.gz ACUVUDXPKXIJRE-LSDHHAIUSA-N 2 1 306.425 3.051 20 10 DGCDMP CCC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235693580 1099132525 /nfs/dbraw/zinc/13/25/25/1099132525.db2.gz DGIBEWOPGXQRRJ-GOSISDBHSA-N 2 1 301.478 3.251 20 10 DGCDMP C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235963148 1099293664 /nfs/dbraw/zinc/29/36/64/1099293664.db2.gz RFGAEQRPPMARNL-VMPITWQZSA-N 2 1 321.468 3.241 20 10 DGCDMP Cc1cccc(O)c1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235976793 1099307405 /nfs/dbraw/zinc/30/74/05/1099307405.db2.gz DSNVNGMSAJLJHN-UHFFFAOYSA-N 2 1 322.452 3.338 20 10 DGCDMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001236214876 1099470204 /nfs/dbraw/zinc/47/02/04/1099470204.db2.gz JBSPNOWMTXYLDR-UHFFFAOYSA-N 2 1 316.367 3.373 20 10 DGCDMP C[N@H+](Cc1ccc(C(F)(F)F)cc1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216744 1099474320 /nfs/dbraw/zinc/47/43/20/1099474320.db2.gz MGPVWOLVLADABC-CHWSQXEVSA-N 2 1 302.340 3.113 20 10 DGCDMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216744 1099474324 /nfs/dbraw/zinc/47/43/24/1099474324.db2.gz MGPVWOLVLADABC-CHWSQXEVSA-N 2 1 302.340 3.113 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c2ccccc21 ZINC001236224188 1099481978 /nfs/dbraw/zinc/48/19/78/1099481978.db2.gz RVFQYCQTUJKSQB-UHFFFAOYSA-N 2 1 311.473 3.480 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001236276712 1099514551 /nfs/dbraw/zinc/51/45/51/1099514551.db2.gz MDTXEMPQOQQTCH-UHFFFAOYSA-N 2 1 309.457 3.378 20 10 DGCDMP Cc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(O)c1 ZINC001236377250 1099563137 /nfs/dbraw/zinc/56/31/37/1099563137.db2.gz ZZMZRTOJQNCFIJ-INIZCTEOSA-N 2 1 302.462 3.445 20 10 DGCDMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001236421777 1099596433 /nfs/dbraw/zinc/59/64/33/1099596433.db2.gz MWGIIYZYGZFQQA-GOSISDBHSA-N 2 1 314.404 3.382 20 10 DGCDMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001236421777 1099596444 /nfs/dbraw/zinc/59/64/44/1099596444.db2.gz MWGIIYZYGZFQQA-GOSISDBHSA-N 2 1 314.404 3.382 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236598627 1099695444 /nfs/dbraw/zinc/69/54/44/1099695444.db2.gz LYGTWJVRXQPKEN-GOSISDBHSA-N 2 1 315.505 3.497 20 10 DGCDMP CN1CCCc2cc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccc21 ZINC001237153363 1100001102 /nfs/dbraw/zinc/00/11/02/1100001102.db2.gz CHVPLMXBIFBPHA-LJQANCHMSA-N 2 1 313.489 3.176 20 10 DGCDMP CN1CCCc2cc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)ccc21 ZINC001237153363 1100001113 /nfs/dbraw/zinc/00/11/13/1100001113.db2.gz CHVPLMXBIFBPHA-LJQANCHMSA-N 2 1 313.489 3.176 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237418594 1100120899 /nfs/dbraw/zinc/12/08/99/1100120899.db2.gz XPKLHXSQEYNDQU-WMLDXEAASA-N 2 1 302.462 3.264 20 10 DGCDMP C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@@H]1C[NH3+] ZINC001205637990 1100762724 /nfs/dbraw/zinc/76/27/24/1100762724.db2.gz KFOVRCMEOUTZGG-VXGBXAGGSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@@H]1C[NH3+] ZINC001205637990 1100762729 /nfs/dbraw/zinc/76/27/29/1100762729.db2.gz KFOVRCMEOUTZGG-VXGBXAGGSA-N 2 1 316.367 3.218 20 10 DGCDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1C ZINC001201557884 1102650090 /nfs/dbraw/zinc/65/00/90/1102650090.db2.gz NHBZWSAKPTWQDY-SFHVURJKSA-N 2 1 304.478 3.461 20 10 DGCDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC001201557093 1102651264 /nfs/dbraw/zinc/65/12/64/1102651264.db2.gz DIEPLQPSLGCNKU-GOSISDBHSA-N 2 1 316.489 3.469 20 10 DGCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1Cl ZINC001206563450 1103788689 /nfs/dbraw/zinc/78/86/89/1103788689.db2.gz CVAALRCPTBMBGZ-INIZCTEOSA-N 2 1 312.841 3.005 20 10 DGCDMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]Cc2ccc(N)cc2)CC[NH2+]1 ZINC001246169726 1104417104 /nfs/dbraw/zinc/41/71/04/1104417104.db2.gz JFXJXALBIGKRDS-PKOBYXMFSA-N 2 1 313.420 3.299 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246900260 1104728710 /nfs/dbraw/zinc/72/87/10/1104728710.db2.gz HEUPKTYLZGBIJG-SFHVURJKSA-N 2 1 301.478 3.107 20 10 DGCDMP CCC[C@H](CC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001649176283 1105481882 /nfs/dbraw/zinc/48/18/82/1105481882.db2.gz ZTYPMKVBEXMVHY-INIZCTEOSA-N 2 1 307.457 3.246 20 10 DGCDMP CCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC001320876917 1107171865 /nfs/dbraw/zinc/17/18/65/1107171865.db2.gz UAFNTGMATNLLCN-APWZRJJASA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC001320876917 1107171870 /nfs/dbraw/zinc/17/18/70/1107171870.db2.gz UAFNTGMATNLLCN-APWZRJJASA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC001320876917 1107171876 /nfs/dbraw/zinc/17/18/76/1107171876.db2.gz UAFNTGMATNLLCN-APWZRJJASA-N 2 1 303.494 3.305 20 10 DGCDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320905419 1107184424 /nfs/dbraw/zinc/18/44/24/1107184424.db2.gz HWNUVBKJSFLIBH-GOSISDBHSA-N 2 1 301.478 3.203 20 10 DGCDMP CCC(C)(C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321075039 1107240604 /nfs/dbraw/zinc/24/06/04/1107240604.db2.gz MUQBPQOELFVXLF-UHFFFAOYSA-N 2 1 307.457 3.198 20 10 DGCDMP CCC(C)(C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321075039 1107240615 /nfs/dbraw/zinc/24/06/15/1107240615.db2.gz MUQBPQOELFVXLF-UHFFFAOYSA-N 2 1 307.457 3.198 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC(C)(C)C3(C)C)cc2F)CC1 ZINC001323320570 1107933927 /nfs/dbraw/zinc/93/39/27/1107933927.db2.gz BVLQVSJVSDJPFO-UHFFFAOYSA-N 2 1 319.468 3.198 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)C3(C)C)cc2F)CC1 ZINC001323320570 1107933935 /nfs/dbraw/zinc/93/39/35/1107933935.db2.gz BVLQVSJVSDJPFO-UHFFFAOYSA-N 2 1 319.468 3.198 20 10 DGCDMP CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC001308569780 1111445320 /nfs/dbraw/zinc/44/53/20/1111445320.db2.gz IWOJJBHKNMLHHI-SJLPKXTDSA-N 2 1 302.462 3.432 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(O)c1 ZINC000093597913 431915606 /nfs/dbraw/zinc/91/56/06/431915606.db2.gz UVEPABHFFXGBBC-MRXNPFEDSA-N 2 1 318.461 3.099 20 10 DGCDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000125463688 431926814 /nfs/dbraw/zinc/92/68/14/431926814.db2.gz RSNBYTLEIBIGOF-GOSISDBHSA-N 2 1 301.478 3.060 20 10 DGCDMP C[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1n1ccnc1 ZINC000271228102 432357885 /nfs/dbraw/zinc/35/78/85/432357885.db2.gz BFMFKLMMCFFXLN-WFASDCNBSA-N 2 1 305.809 3.325 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1n1ccnc1 ZINC000271228102 432357889 /nfs/dbraw/zinc/35/78/89/432357889.db2.gz BFMFKLMMCFFXLN-WFASDCNBSA-N 2 1 305.809 3.325 20 10 DGCDMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000157493315 432622777 /nfs/dbraw/zinc/62/27/77/432622777.db2.gz NUGQZINKDMDWMR-IEBWSBKVSA-N 2 1 315.505 3.495 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)CC1CC[NH2+]CC1 ZINC000178978095 432791992 /nfs/dbraw/zinc/79/19/92/432791992.db2.gz AWLCXDHLBRPRBO-UHFFFAOYSA-N 2 1 301.478 3.108 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(O)c1 ZINC000290401512 433045655 /nfs/dbraw/zinc/04/56/55/433045655.db2.gz JJUAJSPHJCFYOK-QAPCUYQASA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(O)c1 ZINC000290401512 433045659 /nfs/dbraw/zinc/04/56/59/433045659.db2.gz JJUAJSPHJCFYOK-QAPCUYQASA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(O)c1 ZINC000290401512 433045664 /nfs/dbraw/zinc/04/56/64/433045664.db2.gz JJUAJSPHJCFYOK-QAPCUYQASA-N 2 1 318.461 3.097 20 10 DGCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C2)CC1 ZINC000290478008 433063846 /nfs/dbraw/zinc/06/38/46/433063846.db2.gz NXMUFDOSQZALIW-AWEZNQCLSA-N 2 1 308.853 3.209 20 10 DGCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000743387618 575048190 /nfs/dbraw/zinc/04/81/90/575048190.db2.gz LLIOISBWRRHVOJ-HNNXBMFYSA-N 2 1 302.462 3.045 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1F ZINC000740002471 576076175 /nfs/dbraw/zinc/07/61/75/576076175.db2.gz OFIAXRDVVPZELK-UHFFFAOYSA-N 2 1 309.473 3.492 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1F ZINC000740002471 576076178 /nfs/dbraw/zinc/07/61/78/576076178.db2.gz OFIAXRDVVPZELK-UHFFFAOYSA-N 2 1 309.473 3.492 20 10 DGCDMP Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093306 620667611 /nfs/dbraw/zinc/66/76/11/620667611.db2.gz IMIYNOUNYJMKMZ-CQSZACIVSA-N 2 1 308.853 3.257 20 10 DGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853241518 620681619 /nfs/dbraw/zinc/68/16/19/620681619.db2.gz WKFIPNZQQOOZBV-NVXWUHKLSA-N 2 1 302.462 3.473 20 10 DGCDMP CCOc1ccc(C[NH+]2CCC(CC)([NH+]3CCC3)CC2)c(O)c1 ZINC000895827244 618833951 /nfs/dbraw/zinc/83/39/51/618833951.db2.gz IHTRZHUSTNTBTR-UHFFFAOYSA-N 2 1 318.461 3.241 20 10 DGCDMP CN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1F ZINC000903083883 619713131 /nfs/dbraw/zinc/71/31/31/619713131.db2.gz PUNDKRDBNHHCHC-ZXFUBFMLSA-N 2 1 317.452 3.139 20 10 DGCDMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2c1c(F)ccc2O ZINC000756402617 621635522 /nfs/dbraw/zinc/63/55/22/621635522.db2.gz VXDCMCHNEQGYNF-XUJVJEKNSA-N 2 1 304.409 3.154 20 10 DGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000756450211 621639640 /nfs/dbraw/zinc/63/96/40/621639640.db2.gz RCEJVFWOIBZPOC-GUTXKFCHSA-N 2 1 306.425 3.401 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000763607976 622154967 /nfs/dbraw/zinc/15/49/67/622154967.db2.gz VDCZXCLNLPSWGR-GOSISDBHSA-N 2 1 303.494 3.449 20 10 DGCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)CCCC2 ZINC000768446962 622457112 /nfs/dbraw/zinc/45/71/12/622457112.db2.gz PRTKPRRZNFRBHA-MRXNPFEDSA-N 2 1 314.473 3.189 20 10 DGCDMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(O)c1 ZINC000769498107 622534146 /nfs/dbraw/zinc/53/41/46/622534146.db2.gz GGQSIANSDCMKSL-MRXNPFEDSA-N 2 1 318.461 3.099 20 10 DGCDMP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1O ZINC000873236615 623087082 /nfs/dbraw/zinc/08/70/82/623087082.db2.gz YLFCYTXKOXHZCD-LBPRGKRZSA-N 2 1 300.377 3.028 20 10 DGCDMP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000873271385 623100045 /nfs/dbraw/zinc/10/00/45/623100045.db2.gz HVPZSPLCWYOGNR-QWRGUYRKSA-N 2 1 316.367 3.450 20 10 DGCDMP C[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775632832 623299482 /nfs/dbraw/zinc/29/94/82/623299482.db2.gz ACDOOMDGHHMCHJ-UHFFFAOYSA-N 2 1 309.457 3.070 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@@H+](C3CC3)C3CCCC3)cc2)CC1 ZINC000775649885 623303152 /nfs/dbraw/zinc/30/31/52/623303152.db2.gz URKZHUIEIRCVAX-UHFFFAOYSA-N 2 1 313.489 3.345 20 10 DGCDMP CC(C)CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775648708 623303795 /nfs/dbraw/zinc/30/37/95/623303795.db2.gz IKLMKXGWZUDPDL-UHFFFAOYSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775663847 623308969 /nfs/dbraw/zinc/30/89/69/623308969.db2.gz FHCTYSUPFBYFAJ-QGZVFWFLSA-N 2 1 301.478 3.060 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C3CCC3)cc2)CC1 ZINC000775669575 623310075 /nfs/dbraw/zinc/31/00/75/623310075.db2.gz LVFUASFCLXQFNG-HXUWFJFHSA-N 2 1 313.489 3.203 20 10 DGCDMP C[C@@H]([N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)C1(C)CC1 ZINC000775736379 623322361 /nfs/dbraw/zinc/32/23/61/623322361.db2.gz RWJGKAXFIIKAPG-MRXNPFEDSA-N 2 1 301.478 3.059 20 10 DGCDMP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(O)c1 ZINC000876920356 623744164 /nfs/dbraw/zinc/74/41/64/623744164.db2.gz OUVDZVXFYWTCOS-UHFFFAOYSA-N 2 1 324.468 3.497 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)ccc1O ZINC000809754768 626947322 /nfs/dbraw/zinc/94/73/22/626947322.db2.gz AOIWREMUUVUDJN-UHFFFAOYSA-N 2 1 317.433 3.072 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)ccc1O ZINC000809754768 626947326 /nfs/dbraw/zinc/94/73/26/626947326.db2.gz AOIWREMUUVUDJN-UHFFFAOYSA-N 2 1 317.433 3.072 20 10 DGCDMP CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809768606 626949836 /nfs/dbraw/zinc/94/98/36/626949836.db2.gz QCIQLRMUEAZOCL-SJLPKXTDSA-N 2 1 301.478 3.201 20 10 DGCDMP Cc1cc(Cl)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000809767951 626950082 /nfs/dbraw/zinc/95/00/82/626950082.db2.gz YXBTYOWFAHCKMS-BBRMVZONSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000809767951 626950086 /nfs/dbraw/zinc/95/00/86/626950086.db2.gz YXBTYOWFAHCKMS-BBRMVZONSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000809767951 626950089 /nfs/dbraw/zinc/95/00/89/626950089.db2.gz YXBTYOWFAHCKMS-BBRMVZONSA-N 2 1 308.853 3.270 20 10 DGCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815057583 627620828 /nfs/dbraw/zinc/62/08/28/627620828.db2.gz UWKHDVOAGLHFAI-SFHVURJKSA-N 2 1 303.494 3.225 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815057583 627620829 /nfs/dbraw/zinc/62/08/29/627620829.db2.gz UWKHDVOAGLHFAI-SFHVURJKSA-N 2 1 303.494 3.225 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815057583 627620831 /nfs/dbraw/zinc/62/08/31/627620831.db2.gz UWKHDVOAGLHFAI-SFHVURJKSA-N 2 1 303.494 3.225 20 10 DGCDMP Cc1ccc([C@@H](C)N2CCc3sc(CN)nc3C2)c(O)c1C ZINC000925751548 627787746 /nfs/dbraw/zinc/78/77/46/627787746.db2.gz NSTXAYMUJVGMKQ-GFCCVEGCSA-N 2 1 317.458 3.044 20 10 DGCDMP Oc1c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc2ccccc21 ZINC000816514975 627800330 /nfs/dbraw/zinc/80/03/30/627800330.db2.gz LVUYWXOXJMILHD-INIZCTEOSA-N 2 1 310.441 3.463 20 10 DGCDMP CN1CCCc2cc(C[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)ccc21 ZINC000817900032 627956366 /nfs/dbraw/zinc/95/63/66/627956366.db2.gz JSTQKOPMTQWSJL-OALUTQOASA-N 2 1 307.441 3.303 20 10 DGCDMP Cc1ccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(O)c1C ZINC000817939911 627967708 /nfs/dbraw/zinc/96/77/08/627967708.db2.gz IBWPLTYVBIIJPS-INIZCTEOSA-N 2 1 313.445 3.235 20 10 DGCDMP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(C)cc1O ZINC000817942233 627968579 /nfs/dbraw/zinc/96/85/79/627968579.db2.gz ZJISBKDTUAAZSN-SFHVURJKSA-N 2 1 313.445 3.316 20 10 DGCDMP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817953811 627973242 /nfs/dbraw/zinc/97/32/42/627973242.db2.gz RSMBPXVOTJZVLA-AAEUAGOBSA-N 2 1 302.340 3.204 20 10 DGCDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956138 627974187 /nfs/dbraw/zinc/97/41/87/627974187.db2.gz RODPJDXVGGRNIK-UWJYYQICSA-N 2 1 323.484 3.312 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956138 627974189 /nfs/dbraw/zinc/97/41/89/627974189.db2.gz RODPJDXVGGRNIK-UWJYYQICSA-N 2 1 323.484 3.312 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1O ZINC000817969926 627978403 /nfs/dbraw/zinc/97/84/03/627978403.db2.gz IIMHSOVRTIMHRF-GBIKHYSHSA-N 2 1 302.340 3.060 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(C(F)(F)F)c1O ZINC000817969929 627978520 /nfs/dbraw/zinc/97/85/20/627978520.db2.gz IIMHSOVRTIMHRF-OUJBWJOFSA-N 2 1 302.340 3.060 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(Cl)c(Cl)cc1O ZINC000817980650 627982708 /nfs/dbraw/zinc/98/27/08/627982708.db2.gz CTVBCHSPQPVSIL-IVZWLZJFSA-N 2 1 303.233 3.477 20 10 DGCDMP CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(C(F)(F)F)c1 ZINC000818431019 628022512 /nfs/dbraw/zinc/02/25/12/628022512.db2.gz DARYMOAIGAENPB-HUUCEWRRSA-N 2 1 315.383 3.131 20 10 DGCDMP COc1cc(C[N@H+](C)CCC[NH+](C)C)c(O)c(C(C)(C)C)c1 ZINC000825903825 628809324 /nfs/dbraw/zinc/80/93/24/628809324.db2.gz SWGRNGSUDXMXQI-UHFFFAOYSA-N 2 1 308.466 3.082 20 10 DGCDMP COc1cc(C[N@@H+](C)CCC[NH+](C)C)c(O)c(C(C)(C)C)c1 ZINC000825903825 628809325 /nfs/dbraw/zinc/80/93/25/628809325.db2.gz SWGRNGSUDXMXQI-UHFFFAOYSA-N 2 1 308.466 3.082 20 10 DGCDMP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027119 629829200 /nfs/dbraw/zinc/82/92/00/629829200.db2.gz BJQSDCNUTLPSRF-LIXSYLKWSA-N 2 1 315.505 3.430 20 10 DGCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027119 629829202 /nfs/dbraw/zinc/82/92/02/629829202.db2.gz BJQSDCNUTLPSRF-LIXSYLKWSA-N 2 1 315.505 3.430 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027119 629829204 /nfs/dbraw/zinc/82/92/04/629829204.db2.gz BJQSDCNUTLPSRF-LIXSYLKWSA-N 2 1 315.505 3.430 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027119 629829206 /nfs/dbraw/zinc/82/92/06/629829206.db2.gz BJQSDCNUTLPSRF-LIXSYLKWSA-N 2 1 315.505 3.430 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000835030457 629829703 /nfs/dbraw/zinc/82/97/03/629829703.db2.gz YEHVCRBYEANRCM-JBJGNSMKSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000835030457 629829705 /nfs/dbraw/zinc/82/97/05/629829705.db2.gz YEHVCRBYEANRCM-JBJGNSMKSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000835030457 629829708 /nfs/dbraw/zinc/82/97/08/629829708.db2.gz YEHVCRBYEANRCM-JBJGNSMKSA-N 2 1 313.489 3.182 20 10 DGCDMP CCC[N@H+]1CC[C@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835034564 629830595 /nfs/dbraw/zinc/83/05/95/629830595.db2.gz BLNSVELDHAVOJA-OOFWQKGWSA-N 2 1 301.478 3.087 20 10 DGCDMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840892569 630373842 /nfs/dbraw/zinc/37/38/42/630373842.db2.gz BGNDIRYYGWAHQE-INIZCTEOSA-N 2 1 303.494 3.066 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000840918238 630378156 /nfs/dbraw/zinc/37/81/56/630378156.db2.gz QJQXAHMNLQNQGP-CQSZACIVSA-N 2 1 308.853 3.272 20 10 DGCDMP CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841005050 630394185 /nfs/dbraw/zinc/39/41/85/630394185.db2.gz DDURHFPVERAAJD-SJLPKXTDSA-N 2 1 303.494 3.351 20 10 DGCDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000841104369 630408700 /nfs/dbraw/zinc/40/87/00/630408700.db2.gz PQFPMQZBBUMBNY-UHFFFAOYSA-N 2 1 314.429 3.013 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1F ZINC000843044153 630607887 /nfs/dbraw/zinc/60/78/87/630607887.db2.gz FNHXIQXGRQXBLP-MRXNPFEDSA-N 2 1 307.457 3.103 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1F ZINC000843044153 630607891 /nfs/dbraw/zinc/60/78/91/630607891.db2.gz FNHXIQXGRQXBLP-MRXNPFEDSA-N 2 1 307.457 3.103 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000843047979 630608483 /nfs/dbraw/zinc/60/84/83/630608483.db2.gz GDXYAKHFROVLAG-MOPGFXCFSA-N 2 1 301.478 3.168 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000843047979 630608484 /nfs/dbraw/zinc/60/84/84/630608484.db2.gz GDXYAKHFROVLAG-MOPGFXCFSA-N 2 1 301.478 3.168 20 10 DGCDMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046676 630608534 /nfs/dbraw/zinc/60/85/34/630608534.db2.gz YWAADUWUUYTZKT-QFBILLFUSA-N 2 1 301.478 3.379 20 10 DGCDMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046676 630608535 /nfs/dbraw/zinc/60/85/35/630608535.db2.gz YWAADUWUUYTZKT-QFBILLFUSA-N 2 1 301.478 3.379 20 10 DGCDMP CC[C@H]1C[N@H+](Cc2ccc(N(CC)CC)c(F)c2)CC[C@H]1[NH3+] ZINC000843051980 630608940 /nfs/dbraw/zinc/60/89/40/630608940.db2.gz JMPDZTXWUCKZSP-DOTOQJQBSA-N 2 1 307.457 3.231 20 10 DGCDMP CC[C@H]1C[N@@H+](Cc2ccc(N(CC)CC)c(F)c2)CC[C@H]1[NH3+] ZINC000843051980 630608943 /nfs/dbraw/zinc/60/89/43/630608943.db2.gz JMPDZTXWUCKZSP-DOTOQJQBSA-N 2 1 307.457 3.231 20 10 DGCDMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843122465 630615712 /nfs/dbraw/zinc/61/57/12/630615712.db2.gz CYZDNLAKZGGNMX-GOSISDBHSA-N 2 1 301.478 3.380 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125279 630616739 /nfs/dbraw/zinc/61/67/39/630616739.db2.gz QRYGGMYOOSYJNT-NEPJUHHUSA-N 2 1 312.816 3.006 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125279 630616740 /nfs/dbraw/zinc/61/67/40/630616740.db2.gz QRYGGMYOOSYJNT-NEPJUHHUSA-N 2 1 312.816 3.006 20 10 DGCDMP COc1cccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1O ZINC000846168248 631213323 /nfs/dbraw/zinc/21/33/23/631213323.db2.gz RNMBHDYGFCQUBJ-NFOMZHRRSA-N 2 1 304.434 3.068 20 10 DGCDMP CCc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000848891547 631774085 /nfs/dbraw/zinc/77/40/85/631774085.db2.gz ZYOWWLUIFSRUNE-QFBILLFUSA-N 2 1 314.473 3.403 20 10 DGCDMP CCc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000848891547 631774089 /nfs/dbraw/zinc/77/40/89/631774089.db2.gz ZYOWWLUIFSRUNE-QFBILLFUSA-N 2 1 314.473 3.403 20 10 DGCDMP CCc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000848891547 631774091 /nfs/dbraw/zinc/77/40/91/631774091.db2.gz ZYOWWLUIFSRUNE-QFBILLFUSA-N 2 1 314.473 3.403 20 10 DGCDMP CC[NH+](CC)CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000191811603 656172703 /nfs/dbraw/zinc/17/27/03/656172703.db2.gz APKCXRKKZHXLIM-SFHVURJKSA-N 2 1 320.477 3.105 20 10 DGCDMP CC[NH+](CC)CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000191811603 656172706 /nfs/dbraw/zinc/17/27/06/656172706.db2.gz APKCXRKKZHXLIM-SFHVURJKSA-N 2 1 320.477 3.105 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000172957374 659367389 /nfs/dbraw/zinc/36/73/89/659367389.db2.gz FWUIZHJTIIIWRH-QGZVFWFLSA-N 2 1 302.462 3.317 20 10 DGCDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352645 1179260157 /nfs/dbraw/zinc/26/01/57/1179260157.db2.gz BZTIGDVKMLVCCY-LPHOPBHVSA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352645 1179260162 /nfs/dbraw/zinc/26/01/62/1179260162.db2.gz BZTIGDVKMLVCCY-LPHOPBHVSA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352645 1179260169 /nfs/dbraw/zinc/26/01/69/1179260169.db2.gz BZTIGDVKMLVCCY-LPHOPBHVSA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352645 1179260173 /nfs/dbraw/zinc/26/01/73/1179260173.db2.gz BZTIGDVKMLVCCY-LPHOPBHVSA-N 2 1 301.478 3.059 20 10 DGCDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC001461365887 1182800120 /nfs/dbraw/zinc/80/01/20/1182800120.db2.gz UEPIKBJZJSRQHS-KRWDZBQOSA-N 2 1 321.484 3.349 20 10 DGCDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Cl)cc3O)C2)CC1 ZINC001560789033 1189382153 /nfs/dbraw/zinc/38/21/53/1189382153.db2.gz LDXIHHHNDMQORD-UHFFFAOYSA-N 2 1 308.853 3.353 20 10 DGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC001620717793 1193794797 /nfs/dbraw/zinc/79/47/97/1193794797.db2.gz VVNXXAOIYGRFFV-AWEZNQCLSA-N 2 1 310.445 3.418 20 10 DGCDMP C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001656750114 1196068005 /nfs/dbraw/zinc/06/80/05/1196068005.db2.gz QULPYMKFYAZALE-DOTOQJQBSA-N 2 1 319.468 3.246 20 10 DGCDMP C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001658822072 1196304332 /nfs/dbraw/zinc/30/43/32/1196304332.db2.gz GYUGWCIURQFMGR-KBPBESRZSA-N 2 1 306.425 3.274 20 10 DGCDMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(N(C)C)cc1 ZINC000316058889 1199812307 /nfs/dbraw/zinc/81/23/07/1199812307.db2.gz YFAGQXNMNVMZKP-NMACRGETSA-N 2 1 301.478 3.419 20 10 DGCDMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC000316058889 1199812308 /nfs/dbraw/zinc/81/23/08/1199812308.db2.gz YFAGQXNMNVMZKP-NMACRGETSA-N 2 1 301.478 3.419 20 10 DGCDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001167841342 1084179564 /nfs/dbraw/zinc/17/95/64/1084179564.db2.gz KRXZBRUWJLUZOK-OAHLLOKOSA-N 2 1 320.477 3.357 20 10 DGCDMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4O)C[C@@H]3C2)cc1 ZINC001203552009 1090754008 /nfs/dbraw/zinc/75/40/08/1090754008.db2.gz WUSJAUKOCFKKES-BGYRXZFFSA-N 2 1 322.452 3.264 20 10 DGCDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4O)C[C@@H]3C2)cc1 ZINC001203552009 1090754014 /nfs/dbraw/zinc/75/40/14/1090754014.db2.gz WUSJAUKOCFKKES-BGYRXZFFSA-N 2 1 322.452 3.264 20 10 DGCDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4O)C[C@@H]3C2)cc1 ZINC001203552009 1090754022 /nfs/dbraw/zinc/75/40/22/1090754022.db2.gz WUSJAUKOCFKKES-BGYRXZFFSA-N 2 1 322.452 3.264 20 10 DGCDMP C[C@]1([NH3+])CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001204801905 1091039462 /nfs/dbraw/zinc/03/94/62/1091039462.db2.gz WGVRIHTVOWDHRH-SFHVURJKSA-N 2 1 300.377 3.121 20 10 DGCDMP C[C@]1([NH3+])CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001204801905 1091039464 /nfs/dbraw/zinc/03/94/64/1091039464.db2.gz WGVRIHTVOWDHRH-SFHVURJKSA-N 2 1 300.377 3.121 20 10 DGCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[C@@](C)([NH3+])CC3)ccc2O1 ZINC001205296893 1091170622 /nfs/dbraw/zinc/17/06/22/1091170622.db2.gz WCKUOWCDMXRIFL-LJQANCHMSA-N 2 1 316.445 3.280 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(O)c1 ZINC001205627407 1091286590 /nfs/dbraw/zinc/28/65/90/1091286590.db2.gz PIDHDNYEJWLQKQ-HZPDHXFCSA-N 2 1 319.493 3.045 20 10 DGCDMP COc1cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256268 1091501881 /nfs/dbraw/zinc/50/18/81/1091501881.db2.gz XQHFRXTVWKBAQT-CVEARBPZSA-N 2 1 318.461 3.084 20 10 DGCDMP CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206371331 1091603871 /nfs/dbraw/zinc/60/38/71/1091603871.db2.gz SQDWNFMZFYNDDP-SFHVURJKSA-N 2 1 308.441 3.343 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206371331 1091603875 /nfs/dbraw/zinc/60/38/75/1091603875.db2.gz SQDWNFMZFYNDDP-SFHVURJKSA-N 2 1 308.441 3.343 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(O)c1 ZINC001206554160 1091667310 /nfs/dbraw/zinc/66/73/10/1091667310.db2.gz BDWMPMSSGCPJKV-LJQANCHMSA-N 2 1 319.493 3.189 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(OC)c1 ZINC001206769774 1091733940 /nfs/dbraw/zinc/73/39/40/1091733940.db2.gz QGFPXQXBFULJOR-CVEARBPZSA-N 2 1 319.493 3.101 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(F)C3)cc2)CC1 ZINC001140301885 1091818927 /nfs/dbraw/zinc/81/89/27/1091818927.db2.gz CFEBMLMCGJAHAM-IBGZPJMESA-N 2 1 319.468 3.153 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](C)CC34CC4)cc2)CC1 ZINC001140305516 1091820596 /nfs/dbraw/zinc/82/05/96/1091820596.db2.gz AIHMNYDEHBSXFL-QGZVFWFLSA-N 2 1 313.489 3.203 20 10 DGCDMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464629 1091876221 /nfs/dbraw/zinc/87/62/21/1091876221.db2.gz XYUWZTHWHNCZLZ-UHFFFAOYSA-N 2 1 317.820 3.071 20 10 DGCDMP CC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001336893591 1094776684 /nfs/dbraw/zinc/77/66/84/1094776684.db2.gz LQMUNZSZHICJQT-KRWDZBQOSA-N 2 1 319.468 3.342 20 10 DGCDMP CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001336893591 1094776692 /nfs/dbraw/zinc/77/66/92/1094776692.db2.gz LQMUNZSZHICJQT-KRWDZBQOSA-N 2 1 319.468 3.342 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(O)c1 ZINC001222155268 1095463103 /nfs/dbraw/zinc/46/31/03/1095463103.db2.gz YZRCFFKVNHHCID-LJQANCHMSA-N 2 1 302.462 3.265 20 10 DGCDMP Cc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1O ZINC001222168121 1095474373 /nfs/dbraw/zinc/47/43/73/1095474373.db2.gz VCNDIVMJMTZIEB-LJQANCHMSA-N 2 1 302.462 3.446 20 10 DGCDMP Cc1cc(Cl)cc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c1O ZINC001222297315 1095534843 /nfs/dbraw/zinc/53/48/43/1095534843.db2.gz DARKDAKGDXTXFN-UHFFFAOYSA-N 2 1 308.853 3.462 20 10 DGCDMP C[NH+]1CCC(C2CC[NH+](Cc3c(O)cccc3F)CC2)CC1 ZINC001137837498 1095760134 /nfs/dbraw/zinc/76/01/34/1095760134.db2.gz JJBLSGCUQSVGEH-UHFFFAOYSA-N 2 1 306.425 3.085 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001118242850 1095965770 /nfs/dbraw/zinc/96/57/70/1095965770.db2.gz LFADTAATQPBKKR-RTBURBONSA-N 2 1 313.489 3.108 20 10 DGCDMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454355 1098341021 /nfs/dbraw/zinc/34/10/21/1098341021.db2.gz RLMVNPQEHVAVBV-UHFFFAOYSA-N 2 1 316.367 3.329 20 10 DGCDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454355 1098341028 /nfs/dbraw/zinc/34/10/28/1098341028.db2.gz RLMVNPQEHVAVBV-UHFFFAOYSA-N 2 1 316.367 3.329 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)c1O ZINC001235041004 1098768577 /nfs/dbraw/zinc/76/85/77/1098768577.db2.gz WCGUKSWZWDZREK-KRWDZBQOSA-N 2 1 308.853 3.462 20 10 DGCDMP Oc1cc(F)c(F)cc1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156559 1098842597 /nfs/dbraw/zinc/84/25/97/1098842597.db2.gz HHECKDBDDJXIKL-INIZCTEOSA-N 2 1 310.388 3.025 20 10 DGCDMP Oc1cc(F)c(F)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156559 1098842608 /nfs/dbraw/zinc/84/26/08/1098842608.db2.gz HHECKDBDDJXIKL-INIZCTEOSA-N 2 1 310.388 3.025 20 10 DGCDMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(O)c1 ZINC001235156188 1098842949 /nfs/dbraw/zinc/84/29/49/1098842949.db2.gz FKVROBRJFDTPRS-GOSISDBHSA-N 2 1 302.462 3.363 20 10 DGCDMP Oc1ccccc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235363825 1098980717 /nfs/dbraw/zinc/98/07/17/1098980717.db2.gz KFEWILNDOSPVRY-TZIWHRDSSA-N 2 1 322.452 3.145 20 10 DGCDMP Cc1cc(F)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1O ZINC001235420609 1099013980 /nfs/dbraw/zinc/01/39/80/1099013980.db2.gz ACUVUDXPKXIJRE-GJZGRUSLSA-N 2 1 306.425 3.051 20 10 DGCDMP C[N@@H+](CCC[NH3+])Cc1c(O)ccc2cc(Br)ccc21 ZINC001235435594 1099033945 /nfs/dbraw/zinc/03/39/45/1099033945.db2.gz RIGZYXRNABFTKA-UHFFFAOYSA-N 2 1 323.234 3.089 20 10 DGCDMP Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(O)c1 ZINC001235973589 1099302375 /nfs/dbraw/zinc/30/23/75/1099302375.db2.gz NJMKFRDQEPCWRE-UHFFFAOYSA-N 2 1 322.452 3.338 20 10 DGCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001236308706 1099527556 /nfs/dbraw/zinc/52/75/56/1099527556.db2.gz XETIXRWPLSXVKL-RTBURBONSA-N 2 1 313.489 3.108 20 10 DGCDMP COc1cc(C)c(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(O)c1 ZINC001236816216 1099803754 /nfs/dbraw/zinc/80/37/54/1099803754.db2.gz QZADZFZKRYKULD-UHFFFAOYSA-N 2 1 318.461 3.160 20 10 DGCDMP CCC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236836456 1099823610 /nfs/dbraw/zinc/82/36/10/1099823610.db2.gz VOLOTTGIKPNBRZ-AWEZNQCLSA-N 2 1 309.885 3.228 20 10 DGCDMP CCC[N@H+](Cc1ccc(N(C)C)cc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236836456 1099823623 /nfs/dbraw/zinc/82/36/23/1099823623.db2.gz VOLOTTGIKPNBRZ-AWEZNQCLSA-N 2 1 309.885 3.228 20 10 DGCDMP CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236942048 1099881581 /nfs/dbraw/zinc/88/15/81/1099881581.db2.gz IULPFZXYZLICHY-MRXNPFEDSA-N 2 1 319.468 3.200 20 10 DGCDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236940075 1099882308 /nfs/dbraw/zinc/88/23/08/1099882308.db2.gz XAAPELUGLMLUBY-IYBDPMFKSA-N 2 1 319.468 3.055 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)[C@@H]1C ZINC001236938245 1099883255 /nfs/dbraw/zinc/88/32/55/1099883255.db2.gz IMRINUWJJJFHBK-HZPDHXFCSA-N 2 1 319.468 3.198 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CCc2ccccc21 ZINC001237257590 1100050157 /nfs/dbraw/zinc/05/01/57/1100050157.db2.gz HOYLWSGVCVIIOF-OAQYLSRUSA-N 2 1 321.468 3.216 20 10 DGCDMP Cc1cc(Cl)cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1O ZINC001237686732 1100215410 /nfs/dbraw/zinc/21/54/10/1100215410.db2.gz MJFAYXYVPGAQQF-UHFFFAOYSA-N 2 1 308.853 3.272 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1O ZINC001205780969 1101353016 /nfs/dbraw/zinc/35/30/16/1101353016.db2.gz ULOUVDCBPKGLHX-ZDUSSCGKSA-N 2 1 312.404 3.106 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC34CCCC4)cc2F)CC1 ZINC001327304304 1103620082 /nfs/dbraw/zinc/62/00/82/1103620082.db2.gz DOLNMRCIPDCALI-UHFFFAOYSA-N 2 1 317.452 3.096 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC34CCCC4)cc2F)CC1 ZINC001327304304 1103620088 /nfs/dbraw/zinc/62/00/88/1103620088.db2.gz DOLNMRCIPDCALI-UHFFFAOYSA-N 2 1 317.452 3.096 20 10 DGCDMP Cc1cc(O)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1Cl ZINC001276371999 1103688889 /nfs/dbraw/zinc/68/88/89/1103688889.db2.gz DPOKLIOLPCYWRY-OKILXGFUSA-N 2 1 308.853 3.128 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1Cl ZINC001276371999 1103688895 /nfs/dbraw/zinc/68/88/95/1103688895.db2.gz DPOKLIOLPCYWRY-OKILXGFUSA-N 2 1 308.853 3.128 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1Cl ZINC001276371999 1103688899 /nfs/dbraw/zinc/68/88/99/1103688899.db2.gz DPOKLIOLPCYWRY-OKILXGFUSA-N 2 1 308.853 3.128 20 10 DGCDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc3ccccc3c1O)C2 ZINC001276374323 1103697092 /nfs/dbraw/zinc/69/70/92/1103697092.db2.gz WFQJOTGXGGFWIU-HXUWFJFHSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC001276374323 1103697099 /nfs/dbraw/zinc/69/70/99/1103697099.db2.gz WFQJOTGXGGFWIU-HXUWFJFHSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC001276374323 1103697102 /nfs/dbraw/zinc/69/71/02/1103697102.db2.gz WFQJOTGXGGFWIU-HXUWFJFHSA-N 2 1 310.441 3.463 20 10 DGCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001206566141 1103849488 /nfs/dbraw/zinc/84/94/88/1103849488.db2.gz XOOXVERMGWWXTQ-OAHLLOKOSA-N 2 1 316.367 3.362 20 10 DGCDMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(N)cc2)CC[NH2+]1 ZINC001246169719 1104416948 /nfs/dbraw/zinc/41/69/48/1104416948.db2.gz JFXJXALBIGKRDS-HKUYNNGSSA-N 2 1 313.420 3.299 20 10 DGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001321650994 1107404964 /nfs/dbraw/zinc/40/49/64/1107404964.db2.gz RUQWAAJLISPWDS-MRXNPFEDSA-N 2 1 312.461 3.218 20 10 DGCDMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319797781 1108638487 /nfs/dbraw/zinc/63/84/87/1108638487.db2.gz RZCAXXTUMILDPA-HOTGVXAUSA-N 2 1 319.468 3.055 20 10 DGCDMP CCCOc1ccc(C[N@@H+](C)C2CC[NH+](CCC)CC2)c(O)c1 ZINC000092165735 193169745 /nfs/dbraw/zinc/16/97/45/193169745.db2.gz PECVGKQVORKVNT-UHFFFAOYSA-N 2 1 320.477 3.487 20 10 DGCDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177974451 228336393 /nfs/dbraw/zinc/33/63/93/228336393.db2.gz JPAVXLSUMFIYAD-MDZRGWNJSA-N 2 1 301.478 3.105 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(O)c1 ZINC000093597915 431915911 /nfs/dbraw/zinc/91/59/11/431915911.db2.gz UVEPABHFFXGBBC-INIZCTEOSA-N 2 1 318.461 3.099 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(O)c1 ZINC000252799281 432388040 /nfs/dbraw/zinc/38/80/40/432388040.db2.gz AKBBALXAMRFFSH-MAUKXSAKSA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(O)c1 ZINC000252799281 432388044 /nfs/dbraw/zinc/38/80/44/432388044.db2.gz AKBBALXAMRFFSH-MAUKXSAKSA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(O)c1 ZINC000252799281 432388047 /nfs/dbraw/zinc/38/80/47/432388047.db2.gz AKBBALXAMRFFSH-MAUKXSAKSA-N 2 1 318.461 3.097 20 10 DGCDMP C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1n1ccnc1 ZINC000271228098 432357629 /nfs/dbraw/zinc/35/76/29/432357629.db2.gz BFMFKLMMCFFXLN-DOMZBBRYSA-N 2 1 305.809 3.325 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1n1ccnc1 ZINC000271228098 432357632 /nfs/dbraw/zinc/35/76/32/432357632.db2.gz BFMFKLMMCFFXLN-DOMZBBRYSA-N 2 1 305.809 3.325 20 10 DGCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000186142546 432561444 /nfs/dbraw/zinc/56/14/44/432561444.db2.gz IZIKNLMRWCXNOZ-HOTGVXAUSA-N 2 1 320.477 3.419 20 10 DGCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279008857 432926455 /nfs/dbraw/zinc/92/64/55/432926455.db2.gz SOVSGMZJQMXNPI-JKSUJKDBSA-N 2 1 312.461 3.252 20 10 DGCDMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C)cc1O ZINC000280233413 433020115 /nfs/dbraw/zinc/02/01/15/433020115.db2.gz VKSXAKOCNDAMPZ-SJLPKXTDSA-N 2 1 320.477 3.242 20 10 DGCDMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC000296118637 434515427 /nfs/dbraw/zinc/51/54/27/434515427.db2.gz ZZISIFJCXOFLKG-DQXYTYHJSA-N 2 1 301.478 3.419 20 10 DGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N(C)C)cc1 ZINC000363792856 332248599 /nfs/dbraw/zinc/24/85/99/332248599.db2.gz OROXUJWLBWYLLU-QRQLOZEOSA-N 2 1 301.478 3.420 20 10 DGCDMP Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000853240601 620680923 /nfs/dbraw/zinc/68/09/23/620680923.db2.gz OWJMWKLOHPFNQG-NVXWUHKLSA-N 2 1 300.446 3.091 20 10 DGCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853239392 620681112 /nfs/dbraw/zinc/68/11/12/620681112.db2.gz GODGBDYLXRZOSR-HOCLYGCPSA-N 2 1 318.461 3.173 20 10 DGCDMP COc1cc(C)cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1O ZINC000894180756 618725209 /nfs/dbraw/zinc/72/52/09/618725209.db2.gz PXBASOIOENSFLX-INIZCTEOSA-N 2 1 320.477 3.453 20 10 DGCDMP COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000903959945 619839827 /nfs/dbraw/zinc/83/98/27/619839827.db2.gz SOAQFGHPRVQNBO-KRWDZBQOSA-N 2 1 324.852 3.020 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000903959945 619839830 /nfs/dbraw/zinc/83/98/30/619839830.db2.gz SOAQFGHPRVQNBO-KRWDZBQOSA-N 2 1 324.852 3.020 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1C[NH3+] ZINC000904412073 619920352 /nfs/dbraw/zinc/92/03/52/619920352.db2.gz PEZOXMNYTGUUFV-AEFFLSMTSA-N 2 1 301.478 3.094 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841086266 620226698 /nfs/dbraw/zinc/22/66/98/620226698.db2.gz GWMRLOOMHJDTEW-XJKSGUPXSA-N 2 1 308.853 3.318 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000152081016 620490590 /nfs/dbraw/zinc/49/05/90/620490590.db2.gz DTVWEKWOXPOSFW-DLBZAZTESA-N 2 1 319.468 3.388 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000152081016 620490591 /nfs/dbraw/zinc/49/05/91/620490591.db2.gz DTVWEKWOXPOSFW-DLBZAZTESA-N 2 1 319.468 3.388 20 10 DGCDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921688740 620934300 /nfs/dbraw/zinc/93/43/00/620934300.db2.gz DICHBQVDQZKRBJ-QGZVFWFLSA-N 2 1 302.462 3.222 20 10 DGCDMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1(C)C ZINC000858094770 621152065 /nfs/dbraw/zinc/15/20/65/621152065.db2.gz RVDKFTJZHQNULA-QGZVFWFLSA-N 2 1 301.478 3.249 20 10 DGCDMP C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CC1CC[NH+](C)CC1 ZINC000103462125 621378517 /nfs/dbraw/zinc/37/85/17/621378517.db2.gz FGBPADWUHXCQRT-UHFFFAOYSA-N 2 1 320.477 3.169 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756611143 621652763 /nfs/dbraw/zinc/65/27/63/621652763.db2.gz KEPOWSMPXSUDHX-GRDNDAEWSA-N 2 1 302.462 3.404 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756611143 621652766 /nfs/dbraw/zinc/65/27/66/621652766.db2.gz KEPOWSMPXSUDHX-GRDNDAEWSA-N 2 1 302.462 3.404 20 10 DGCDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756611147 621652824 /nfs/dbraw/zinc/65/28/24/621652824.db2.gz KEPOWSMPXSUDHX-KEYYUXOJSA-N 2 1 302.462 3.404 20 10 DGCDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756611147 621652825 /nfs/dbraw/zinc/65/28/25/621652825.db2.gz KEPOWSMPXSUDHX-KEYYUXOJSA-N 2 1 302.462 3.404 20 10 DGCDMP Cc1[nH+]ccn1CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000766249025 622314841 /nfs/dbraw/zinc/31/48/41/622314841.db2.gz GTWTXJNMQXDAPA-UHFFFAOYSA-N 2 1 311.385 3.193 20 10 DGCDMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000766249025 622314842 /nfs/dbraw/zinc/31/48/42/622314842.db2.gz GTWTXJNMQXDAPA-UHFFFAOYSA-N 2 1 311.385 3.193 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(O)cc1C ZINC000768445679 622457083 /nfs/dbraw/zinc/45/70/83/622457083.db2.gz IBNWETGDVBBHRC-KRWDZBQOSA-N 2 1 318.461 3.160 20 10 DGCDMP CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000769469587 622530112 /nfs/dbraw/zinc/53/01/12/622530112.db2.gz AOIRVRAZZOMTDU-GDBMZVCRSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000769469587 622530113 /nfs/dbraw/zinc/53/01/13/622530113.db2.gz AOIRVRAZZOMTDU-GDBMZVCRSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000769469587 622530114 /nfs/dbraw/zinc/53/01/14/622530114.db2.gz AOIRVRAZZOMTDU-GDBMZVCRSA-N 2 1 306.450 3.096 20 10 DGCDMP CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000773757076 623068732 /nfs/dbraw/zinc/06/87/32/623068732.db2.gz YIFRJURBCFGZNN-VQIMIIECSA-N 2 1 303.494 3.447 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000773757076 623068740 /nfs/dbraw/zinc/06/87/40/623068740.db2.gz YIFRJURBCFGZNN-VQIMIIECSA-N 2 1 303.494 3.447 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000773757076 623068747 /nfs/dbraw/zinc/06/87/47/623068747.db2.gz YIFRJURBCFGZNN-VQIMIIECSA-N 2 1 303.494 3.447 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000773766311 623070482 /nfs/dbraw/zinc/07/04/82/623070482.db2.gz RPJPIWSXUTVAEO-HKUYNNGSSA-N 2 1 301.478 3.059 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000773766311 623070488 /nfs/dbraw/zinc/07/04/88/623070488.db2.gz RPJPIWSXUTVAEO-HKUYNNGSSA-N 2 1 301.478 3.059 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000773766311 623070495 /nfs/dbraw/zinc/07/04/95/623070495.db2.gz RPJPIWSXUTVAEO-HKUYNNGSSA-N 2 1 301.478 3.059 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)cc2)CC1 ZINC000775630584 623299990 /nfs/dbraw/zinc/29/99/90/623299990.db2.gz MHSAWJHTKRBFJB-FQEVSTJZSA-N 2 1 324.472 3.104 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]4CCC[C@H]43)cc2)CC1 ZINC000775660246 623307011 /nfs/dbraw/zinc/30/70/11/623307011.db2.gz BAGCJBDZDROWFW-UYAOXDASSA-N 2 1 313.489 3.203 20 10 DGCDMP C[N@H+]1CC[C@H]([NH2+]CCCSc2nccs2)[C@@H]2CCC[C@H]21 ZINC000796772781 626081000 /nfs/dbraw/zinc/08/10/00/626081000.db2.gz VUMDGBSGUJPVKT-MELADBBJSA-N 2 1 311.520 3.088 20 10 DGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1O ZINC000808675595 626848246 /nfs/dbraw/zinc/84/82/46/626848246.db2.gz MNJPYPMPXMDGQZ-STQMWFEESA-N 2 1 308.853 3.489 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1F ZINC000809766503 626949313 /nfs/dbraw/zinc/94/93/13/626949313.db2.gz ZHYCBLLMVJZXTL-YJBOKZPZSA-N 2 1 321.484 3.444 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1F ZINC000809766503 626949315 /nfs/dbraw/zinc/94/93/15/626949315.db2.gz ZHYCBLLMVJZXTL-YJBOKZPZSA-N 2 1 321.484 3.444 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1F ZINC000809766503 626949316 /nfs/dbraw/zinc/94/93/16/626949316.db2.gz ZHYCBLLMVJZXTL-YJBOKZPZSA-N 2 1 321.484 3.444 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000809766503 626949318 /nfs/dbraw/zinc/94/93/18/626949318.db2.gz ZHYCBLLMVJZXTL-YJBOKZPZSA-N 2 1 321.484 3.444 20 10 DGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000815057647 627620364 /nfs/dbraw/zinc/62/03/64/627620364.db2.gz WHZDQAACGPYWBQ-FUHWJXTLSA-N 2 1 303.494 3.366 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000815057647 627620368 /nfs/dbraw/zinc/62/03/68/627620368.db2.gz WHZDQAACGPYWBQ-FUHWJXTLSA-N 2 1 303.494 3.366 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000815057647 627620372 /nfs/dbraw/zinc/62/03/72/627620372.db2.gz WHZDQAACGPYWBQ-FUHWJXTLSA-N 2 1 303.494 3.366 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000824933040 628708920 /nfs/dbraw/zinc/70/89/20/628708920.db2.gz ATLPQPPEKUDHKR-BBRMVZONSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000824933040 628708921 /nfs/dbraw/zinc/70/89/21/628708921.db2.gz ATLPQPPEKUDHKR-BBRMVZONSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000824933040 628708924 /nfs/dbraw/zinc/70/89/24/628708924.db2.gz ATLPQPPEKUDHKR-BBRMVZONSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000825320377 628748760 /nfs/dbraw/zinc/74/87/60/628748760.db2.gz KCFXXPLBFMBQEQ-GOOCMWNKSA-N 2 1 308.853 3.459 20 10 DGCDMP Oc1cccc2c1[C@H]([NH2+]CCC[N@@H+]1CCc3ccccc3C1)CC2 ZINC000834501730 629718656 /nfs/dbraw/zinc/71/86/56/629718656.db2.gz IBMQOAYYIYRGLT-LJQANCHMSA-N 2 1 322.452 3.418 20 10 DGCDMP Oc1cccc2c1[C@H]([NH2+]CCC[N@H+]1CCc3ccccc3C1)CC2 ZINC000834501730 629718660 /nfs/dbraw/zinc/71/86/60/629718660.db2.gz IBMQOAYYIYRGLT-LJQANCHMSA-N 2 1 322.452 3.418 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000835026450 629827867 /nfs/dbraw/zinc/82/78/67/629827867.db2.gz WSOWXFMZEVLPMY-LZCIBIBXSA-N 2 1 301.478 3.039 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000835026450 629827871 /nfs/dbraw/zinc/82/78/71/629827871.db2.gz WSOWXFMZEVLPMY-LZCIBIBXSA-N 2 1 301.478 3.039 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000835026450 629827875 /nfs/dbraw/zinc/82/78/75/629827875.db2.gz WSOWXFMZEVLPMY-LZCIBIBXSA-N 2 1 301.478 3.039 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000835026450 629827880 /nfs/dbraw/zinc/82/78/80/629827880.db2.gz WSOWXFMZEVLPMY-LZCIBIBXSA-N 2 1 301.478 3.039 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000835030454 629829768 /nfs/dbraw/zinc/82/97/68/629829768.db2.gz YEHVCRBYEANRCM-FTKDCLMVSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000835030454 629829770 /nfs/dbraw/zinc/82/97/70/629829770.db2.gz YEHVCRBYEANRCM-FTKDCLMVSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000835030454 629829773 /nfs/dbraw/zinc/82/97/73/629829773.db2.gz YEHVCRBYEANRCM-FTKDCLMVSA-N 2 1 313.489 3.182 20 10 DGCDMP Cc1[nH+]ccn1CCCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041511 629832457 /nfs/dbraw/zinc/83/24/57/629832457.db2.gz XUBDEOZZLGIDMY-SREVYHEPSA-N 2 1 312.461 3.341 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000835045395 629833992 /nfs/dbraw/zinc/83/39/92/629833992.db2.gz LNDBQJDXJCTMEB-GQCTYLIASA-N 2 1 313.489 3.326 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000835050405 629836545 /nfs/dbraw/zinc/83/65/45/629836545.db2.gz ARPUYSPRGDOXJI-VURMDHGXSA-N 2 1 301.478 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000835050405 629836549 /nfs/dbraw/zinc/83/65/49/629836549.db2.gz ARPUYSPRGDOXJI-VURMDHGXSA-N 2 1 301.478 3.184 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1F ZINC000841090666 630406688 /nfs/dbraw/zinc/40/66/88/630406688.db2.gz MJDKUNBTCMCNGJ-RDTXWAMCSA-N 2 1 307.457 3.089 20 10 DGCDMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1C ZINC000842766360 630574116 /nfs/dbraw/zinc/57/41/16/630574116.db2.gz RLQQWHLVJDMDMC-UXHICEINSA-N 2 1 324.468 3.439 20 10 DGCDMP C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1C[NH3+] ZINC000843052244 630608861 /nfs/dbraw/zinc/60/88/61/630608861.db2.gz QOWSZDOVTZQUCQ-QFBILLFUSA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1C[NH3+] ZINC000843052244 630608865 /nfs/dbraw/zinc/60/88/65/630608865.db2.gz QOWSZDOVTZQUCQ-QFBILLFUSA-N 2 1 301.478 3.236 20 10 DGCDMP CCCN(CCC)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000843051704 630609013 /nfs/dbraw/zinc/60/90/13/630609013.db2.gz KSAYTYBGHVUEKG-APWZRJJASA-N 2 1 303.494 3.482 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000843059466 630609844 /nfs/dbraw/zinc/60/98/44/630609844.db2.gz MJEKQJDJYMJBLS-LJQANCHMSA-N 2 1 301.478 3.108 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843116861 630615253 /nfs/dbraw/zinc/61/52/53/630615253.db2.gz MWLAJRPAXKMLPY-HXUWFJFHSA-N 2 1 313.489 3.252 20 10 DGCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000843128305 630617168 /nfs/dbraw/zinc/61/71/68/630617168.db2.gz VTJBZUUKOKGGME-HZPDHXFCSA-N 2 1 318.461 3.003 20 10 DGCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000843128308 630617293 /nfs/dbraw/zinc/61/72/93/630617293.db2.gz VTJBZUUKOKGGME-JKSUJKDBSA-N 2 1 318.461 3.003 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1C ZINC000849350744 631902042 /nfs/dbraw/zinc/90/20/42/631902042.db2.gz UTUZQWDLBBWDLE-QGZVFWFLSA-N 2 1 302.462 3.221 20 10 DGCDMP CC[NH+]1CCC([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000850010219 632027629 /nfs/dbraw/zinc/02/76/29/632027629.db2.gz FRKNUOPDZPMMPG-UHFFFAOYSA-N 2 1 320.477 3.272 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246894778 655552956 /nfs/dbraw/zinc/55/29/56/655552956.db2.gz UECOEFAOGXPMQS-FXAWDEMLSA-N 2 1 313.489 3.201 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246894778 655552957 /nfs/dbraw/zinc/55/29/57/655552957.db2.gz UECOEFAOGXPMQS-FXAWDEMLSA-N 2 1 313.489 3.201 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246894778 655552958 /nfs/dbraw/zinc/55/29/58/655552958.db2.gz UECOEFAOGXPMQS-FXAWDEMLSA-N 2 1 313.489 3.201 20 10 DGCDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000068722633 655598490 /nfs/dbraw/zinc/59/84/90/655598490.db2.gz UGKDTUOAGZMADX-SFHVURJKSA-N 2 1 301.478 3.108 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066055 657289289 /nfs/dbraw/zinc/28/92/89/657289289.db2.gz UECOEFAOGXPMQS-YLJYHZDGSA-N 2 1 313.489 3.201 20 10 DGCDMP CCOc1cccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1O ZINC000303985627 657583147 /nfs/dbraw/zinc/58/31/47/657583147.db2.gz HTPMKAUNGFEQNJ-UHFFFAOYSA-N 2 1 314.429 3.142 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000172957381 659367525 /nfs/dbraw/zinc/36/75/25/659367525.db2.gz FWUIZHJTIIIWRH-KRWDZBQOSA-N 2 1 302.462 3.317 20 10 DGCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179932002 659946502 /nfs/dbraw/zinc/94/65/02/659946502.db2.gz VUIODEJLJMDHSD-UHFFFAOYSA-N 2 1 308.441 3.475 20 10 DGCDMP C[C@H]1CC2(C[N@@H+]1Cc1cc(Cl)c(F)cc1O)CC[NH2+]CC2 ZINC001576636663 1191857030 /nfs/dbraw/zinc/85/70/30/1191857030.db2.gz FSIDUXUXFVQVGT-NSHDSACASA-N 2 1 312.816 3.149 20 10 DGCDMP C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)c(F)cc1O)CC[NH2+]CC2 ZINC001576636663 1191857037 /nfs/dbraw/zinc/85/70/37/1191857037.db2.gz FSIDUXUXFVQVGT-NSHDSACASA-N 2 1 312.816 3.149 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)C3CCC3)cc2F)CC1 ZINC001620943362 1192638927 /nfs/dbraw/zinc/63/89/27/1192638927.db2.gz UFIPQTOBGVCPKD-UHFFFAOYSA-N 2 1 319.468 3.246 20 10 DGCDMP COc1cc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(O)c1 ZINC001621118662 1192646728 /nfs/dbraw/zinc/64/67/28/1192646728.db2.gz SUIBWKDJPSRWOK-MRXNPFEDSA-N 2 1 318.461 3.017 20 10 DGCDMP CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001621003377 1192779447 /nfs/dbraw/zinc/77/94/47/1192779447.db2.gz GUUGAMIHRNMAMQ-HNNXBMFYSA-N 2 1 321.484 3.492 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001349326514 1179893406 /nfs/dbraw/zinc/89/34/06/1179893406.db2.gz ZNLBTCRZPFBACY-UHFFFAOYSA-N 2 1 301.478 3.027 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC001349319699 1179893500 /nfs/dbraw/zinc/89/35/00/1179893500.db2.gz PDDQZGVPDUVTIA-UHFFFAOYSA-N 2 1 313.489 3.251 20 10 DGCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCCC1 ZINC001657363401 1196133602 /nfs/dbraw/zinc/13/36/02/1196133602.db2.gz IMUOLQKMAMOOMJ-OAHLLOKOSA-N 2 1 319.468 3.246 20 10 DGCDMP c1cc2c(cc1CNC[C@H]1CC[N@@H+]1C1CCCC1)CCCO2 ZINC001657784748 1196177742 /nfs/dbraw/zinc/17/77/42/1196177742.db2.gz HYAXQCAHMJZJIN-GOSISDBHSA-N 2 1 300.446 3.118 20 10 DGCDMP c1cc2c(cc1CNC[C@H]1CC[N@H+]1C1CCCC1)CCCO2 ZINC001657784748 1196177745 /nfs/dbraw/zinc/17/77/45/1196177745.db2.gz HYAXQCAHMJZJIN-GOSISDBHSA-N 2 1 300.446 3.118 20 10 DGCDMP CC[C@@H](C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001658248332 1196231085 /nfs/dbraw/zinc/23/10/85/1196231085.db2.gz OOUPQGBYTLJPPN-OAHLLOKOSA-N 2 1 307.457 3.103 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@]3(C)CC3(C)C)cc2F)CC1 ZINC001663164853 1196802901 /nfs/dbraw/zinc/80/29/01/1196802901.db2.gz HHINRZFQOVGADL-LJQANCHMSA-N 2 1 319.468 3.103 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC3CC=CC3)cc2F)CC1 ZINC001663246106 1196817482 /nfs/dbraw/zinc/81/74/82/1196817482.db2.gz DVSKHHUKWIFASE-UHFFFAOYSA-N 2 1 317.452 3.023 20 10 DGCDMP CC[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140304579 1082124558 /nfs/dbraw/zinc/12/45/58/1082124558.db2.gz VPPXEEFFRRMMEY-GOSISDBHSA-N 2 1 301.478 3.203 20 10 DGCDMP Oc1cccc2c1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001168001948 1086107947 /nfs/dbraw/zinc/10/79/47/1086107947.db2.gz AMAQVUHNMFBAKA-JWTNVVGKSA-N 2 1 312.457 3.156 20 10 DGCDMP Oc1cccc2c1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001168001948 1086107949 /nfs/dbraw/zinc/10/79/49/1086107949.db2.gz AMAQVUHNMFBAKA-JWTNVVGKSA-N 2 1 312.457 3.156 20 10 DGCDMP Oc1cccc2c1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001168001948 1086107953 /nfs/dbraw/zinc/10/79/53/1086107953.db2.gz AMAQVUHNMFBAKA-JWTNVVGKSA-N 2 1 312.457 3.156 20 10 DGCDMP Oc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001203551703 1090754051 /nfs/dbraw/zinc/75/40/51/1090754051.db2.gz KYFPMYVGDGCKSD-IYBDPMFKSA-N 2 1 314.454 3.018 20 10 DGCDMP Oc1ccccc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001203551703 1090754057 /nfs/dbraw/zinc/75/40/57/1090754057.db2.gz KYFPMYVGDGCKSD-IYBDPMFKSA-N 2 1 314.454 3.018 20 10 DGCDMP Oc1ccccc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001203551703 1090754064 /nfs/dbraw/zinc/75/40/64/1090754064.db2.gz KYFPMYVGDGCKSD-IYBDPMFKSA-N 2 1 314.454 3.018 20 10 DGCDMP Oc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001203551703 1090754068 /nfs/dbraw/zinc/75/40/68/1090754068.db2.gz KYFPMYVGDGCKSD-IYBDPMFKSA-N 2 1 314.454 3.018 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c2ccccc21 ZINC001204235220 1090931864 /nfs/dbraw/zinc/93/18/64/1090931864.db2.gz KPBSAHJZLRJNCW-AEFFLSMTSA-N 2 1 323.484 3.289 20 10 DGCDMP CN(C)c1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c2ccccc21 ZINC001204235220 1090931865 /nfs/dbraw/zinc/93/18/65/1090931865.db2.gz KPBSAHJZLRJNCW-AEFFLSMTSA-N 2 1 323.484 3.289 20 10 DGCDMP CN(C)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c2ccccc21 ZINC001204235220 1090931868 /nfs/dbraw/zinc/93/18/68/1090931868.db2.gz KPBSAHJZLRJNCW-AEFFLSMTSA-N 2 1 323.484 3.289 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1O ZINC001204741930 1091026990 /nfs/dbraw/zinc/02/69/90/1091026990.db2.gz FVWDEHRACRGONV-UHFFFAOYSA-N 2 1 308.853 3.320 20 10 DGCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001205266709 1091157411 /nfs/dbraw/zinc/15/74/11/1091157411.db2.gz WMQXPFSEHKSZME-IBGZPJMESA-N 2 1 301.478 3.380 20 10 DGCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001205591422 1091270757 /nfs/dbraw/zinc/27/07/57/1091270757.db2.gz MNQJAQKCTYXGIG-AWEZNQCLSA-N 2 1 320.330 3.064 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205603495 1091275703 /nfs/dbraw/zinc/27/57/03/1091275703.db2.gz PGWXXDJFFQEEAE-SJLPKXTDSA-N 2 1 303.494 3.340 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1C[NH3+] ZINC001205616825 1091282633 /nfs/dbraw/zinc/28/26/33/1091282633.db2.gz HBWSTUWBUBEBGY-MJGOQNOKSA-N 2 1 315.505 3.484 20 10 DGCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N(C)C)cc1C ZINC001205692593 1091314800 /nfs/dbraw/zinc/31/48/00/1091314800.db2.gz GQEXKXZWQWNPFD-UHFFFAOYSA-N 2 1 303.494 3.369 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@@H]1C[NH3+] ZINC001206012512 1091449474 /nfs/dbraw/zinc/44/94/74/1091449474.db2.gz MAFGOEPVORPYPQ-LSDHHAIUSA-N 2 1 304.478 3.497 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc(C[NH+](C)C)c1O ZINC001139258052 1091501432 /nfs/dbraw/zinc/50/14/32/1091501432.db2.gz KVIFUGSSTRYAFP-NVXWUHKLSA-N 2 1 318.461 3.227 20 10 DGCDMP CCC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)[C@H](C)CC ZINC001139253073 1091501754 /nfs/dbraw/zinc/50/17/54/1091501754.db2.gz KOVQZLMBJXFSEE-CQSZACIVSA-N 2 1 308.466 3.473 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC001139408066 1091551782 /nfs/dbraw/zinc/55/17/82/1091551782.db2.gz JHDGNYRVFGIJKE-MSOLQXFVSA-N 2 1 315.505 3.306 20 10 DGCDMP COc1cc(O)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206325768 1091581575 /nfs/dbraw/zinc/58/15/75/1091581575.db2.gz JKGGSCVUPCNRQI-INIZCTEOSA-N 2 1 312.841 3.005 20 10 DGCDMP COc1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c([O-])c1Cl ZINC001206327461 1091581780 /nfs/dbraw/zinc/58/17/80/1091581780.db2.gz WRKOMLUZJWSVMK-INIZCTEOSA-N 2 1 312.841 3.005 20 10 DGCDMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001206344456 1091587057 /nfs/dbraw/zinc/58/70/57/1091587057.db2.gz SHCFXPZLVHWSQE-LJQANCHMSA-N 2 1 319.468 3.330 20 10 DGCDMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001206344456 1091587077 /nfs/dbraw/zinc/58/70/77/1091587077.db2.gz SHCFXPZLVHWSQE-LJQANCHMSA-N 2 1 319.468 3.330 20 10 DGCDMP CN1CCCc2cc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)ccc21 ZINC001206550044 1091665437 /nfs/dbraw/zinc/66/54/37/1091665437.db2.gz UBDLLLCWEYQXCV-LJQANCHMSA-N 2 1 301.478 3.020 20 10 DGCDMP CC(C)[N@@H+](Cc1ccc2c(c1)CCCN2C)[C@H]1CCC[NH2+]CC1 ZINC001206591590 1091681614 /nfs/dbraw/zinc/68/16/14/1091681614.db2.gz TWAOLKNSVUFVAN-IBGZPJMESA-N 2 1 315.505 3.422 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(OC)c1 ZINC001206616796 1091689734 /nfs/dbraw/zinc/68/97/34/1091689734.db2.gz QHLBPWKIEFRXER-MRXNPFEDSA-N 2 1 319.493 3.102 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C)CC3)cc2)CC1 ZINC001140301950 1091817919 /nfs/dbraw/zinc/81/79/19/1091817919.db2.gz FHTKEXJKVMDNIH-GOSISDBHSA-N 2 1 315.505 3.451 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C)[C@H]3C)cc2)CC1 ZINC001140304029 1091820396 /nfs/dbraw/zinc/82/03/96/1091820396.db2.gz FBAMUINLKJBCNZ-ZWKOTPCHSA-N 2 1 315.505 3.449 20 10 DGCDMP Cc1c(O)ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1O ZINC001140746235 1091983735 /nfs/dbraw/zinc/98/37/35/1091983735.db2.gz WRMKDIOQESNRFY-KRWDZBQOSA-N 2 1 318.461 3.247 20 10 DGCDMP Cc1c(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c2ccccc2n1C ZINC001276557265 1092204170 /nfs/dbraw/zinc/20/41/70/1092204170.db2.gz WYJGZMMZVBGTLT-UHFFFAOYSA-N 2 1 311.473 3.404 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1O ZINC000404315962 1094253889 /nfs/dbraw/zinc/25/38/89/1094253889.db2.gz OEYNQWIIOGITND-BXUZGUMPSA-N 2 1 312.841 3.004 20 10 DGCDMP CCc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1O ZINC001336888809 1094774158 /nfs/dbraw/zinc/77/41/58/1094774158.db2.gz MKOHYARODVEMEL-SZMVWBNQSA-N 2 1 302.462 3.117 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H]1C ZINC001116443246 1095554933 /nfs/dbraw/zinc/55/49/33/1095554933.db2.gz LLDGTPZXTDPDEI-HZPDHXFCSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1C ZINC001116443246 1095554947 /nfs/dbraw/zinc/55/49/47/1095554947.db2.gz LLDGTPZXTDPDEI-HZPDHXFCSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1C ZINC001116443246 1095554958 /nfs/dbraw/zinc/55/49/58/1095554958.db2.gz LLDGTPZXTDPDEI-HZPDHXFCSA-N 2 1 319.468 3.198 20 10 DGCDMP Cc1cc(C)c(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(O)c1 ZINC001222608465 1095689455 /nfs/dbraw/zinc/68/94/55/1095689455.db2.gz AFSJOOPVRJKXSF-IBGZPJMESA-N 2 1 322.452 3.198 20 10 DGCDMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)c(C)cc3O)C[C@@H]2C1 ZINC001231871457 1097872160 /nfs/dbraw/zinc/87/21/60/1097872160.db2.gz KZRQACDBZZZWCE-GASCZTMLSA-N 2 1 308.853 3.128 20 10 DGCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)c(C)cc3O)C[C@@H]2C1 ZINC001231871457 1097872164 /nfs/dbraw/zinc/87/21/64/1097872164.db2.gz KZRQACDBZZZWCE-GASCZTMLSA-N 2 1 308.853 3.128 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Cl)c(C)cc3O)C[C@@H]2C1 ZINC001231871457 1097872169 /nfs/dbraw/zinc/87/21/69/1097872169.db2.gz KZRQACDBZZZWCE-GASCZTMLSA-N 2 1 308.853 3.128 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(Cl)c(C)cc3O)C[C@@H]2C1 ZINC001231871457 1097872178 /nfs/dbraw/zinc/87/21/78/1097872178.db2.gz KZRQACDBZZZWCE-GASCZTMLSA-N 2 1 308.853 3.128 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1 ZINC001175775502 1098168046 /nfs/dbraw/zinc/16/80/46/1098168046.db2.gz RITQHWIUPWWUFS-QGZVFWFLSA-N 2 1 324.472 3.248 20 10 DGCDMP C[N@H+](Cc1ccc(C(F)(F)F)cc1O)CC1CC[NH+](C)CC1 ZINC001233454449 1098340783 /nfs/dbraw/zinc/34/07/83/1098340783.db2.gz VKQZKAWRXKFHMQ-UHFFFAOYSA-N 2 1 316.367 3.185 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2ccccc21 ZINC001235270898 1098939111 /nfs/dbraw/zinc/93/91/11/1098939111.db2.gz NTBUSHNVBBLLEZ-APWZRJJASA-N 2 1 309.457 3.090 20 10 DGCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235351199 1098973336 /nfs/dbraw/zinc/97/33/36/1098973336.db2.gz ONTGTXJLVHKCSG-TZIWHRDSSA-N 2 1 322.452 3.280 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400224 1098995815 /nfs/dbraw/zinc/99/58/15/1098995815.db2.gz CRIYVJBBLBAXAM-IEBWSBKVSA-N 2 1 320.452 3.213 20 10 DGCDMP Cc1c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c2ccccc2n1C ZINC001235404187 1099001372 /nfs/dbraw/zinc/00/13/72/1099001372.db2.gz MZSIYVBRFDKHEX-RBUKOAKNSA-N 2 1 315.436 3.010 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235403690 1099002937 /nfs/dbraw/zinc/00/29/37/1099002937.db2.gz LVFIAPALVAMNIJ-MOPGFXCFSA-N 2 1 319.468 3.056 20 10 DGCDMP Cc1cc(F)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1O ZINC001235420612 1099012324 /nfs/dbraw/zinc/01/23/24/1099012324.db2.gz ACUVUDXPKXIJRE-HUUCEWRRSA-N 2 1 306.425 3.051 20 10 DGCDMP Cc1ccc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1O ZINC001235428669 1099022861 /nfs/dbraw/zinc/02/28/61/1099022861.db2.gz OSGWSZSAGPOJDG-IRXDYDNUSA-N 2 1 302.462 3.221 20 10 DGCDMP C[N@H+](CCC1CC[NH2+]CC1)Cc1cc(F)c(Cl)cc1O ZINC001235717476 1099143603 /nfs/dbraw/zinc/14/36/03/1099143603.db2.gz GOQALYNMYOMBFV-UHFFFAOYSA-N 2 1 300.805 3.006 20 10 DGCDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(F)c(Cl)cc1O ZINC001235717476 1099143610 /nfs/dbraw/zinc/14/36/10/1099143610.db2.gz GOQALYNMYOMBFV-UHFFFAOYSA-N 2 1 300.805 3.006 20 10 DGCDMP COCCC[N@H+](Cc1ccc(C(C)C)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235807935 1099189756 /nfs/dbraw/zinc/18/97/56/1099189756.db2.gz ABAFXHQJMTWAMV-GOSISDBHSA-N 2 1 320.477 3.106 20 10 DGCDMP COCCC[N@@H+](Cc1ccc(C(C)C)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235807935 1099189762 /nfs/dbraw/zinc/18/97/62/1099189762.db2.gz ABAFXHQJMTWAMV-GOSISDBHSA-N 2 1 320.477 3.106 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235928616 1099265348 /nfs/dbraw/zinc/26/53/48/1099265348.db2.gz BCWLVAGFOVWCQI-RTBURBONSA-N 2 1 309.457 3.135 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235928610 1099265463 /nfs/dbraw/zinc/26/54/63/1099265463.db2.gz BCWLVAGFOVWCQI-MOPGFXCFSA-N 2 1 309.457 3.135 20 10 DGCDMP c1ccc([C@H]2CC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001235949502 1099284359 /nfs/dbraw/zinc/28/43/59/1099284359.db2.gz MUYGZVHETMJYGI-HXUWFJFHSA-N 2 1 307.441 3.043 20 10 DGCDMP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001236049582 1099352394 /nfs/dbraw/zinc/35/23/94/1099352394.db2.gz FXCVZZZWRCIVTC-UGSOOPFHSA-N 2 1 314.404 3.367 20 10 DGCDMP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001236049582 1099352408 /nfs/dbraw/zinc/35/24/08/1099352408.db2.gz FXCVZZZWRCIVTC-UGSOOPFHSA-N 2 1 314.404 3.367 20 10 DGCDMP CCC[N@@H+](Cc1ccc2c(c1)CCCN2C)C1CC[NH2+]CC1 ZINC001236182473 1099453560 /nfs/dbraw/zinc/45/35/60/1099453560.db2.gz POBRFDRRHMSTJY-UHFFFAOYSA-N 2 1 301.478 3.033 20 10 DGCDMP Cc1cc(O)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1Cl ZINC001236600394 1099697167 /nfs/dbraw/zinc/69/71/67/1099697167.db2.gz HUKNEFDNFGNNMO-CYBMUJFWSA-N 2 1 308.853 3.318 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c2ccccc21 ZINC001236817505 1099806090 /nfs/dbraw/zinc/80/60/90/1099806090.db2.gz CCFCBWGYYRBTCI-SNRMKQJTSA-N 2 1 309.457 3.075 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c2ccccc21 ZINC001236817502 1099807179 /nfs/dbraw/zinc/80/71/79/1099807179.db2.gz CCFCBWGYYRBTCI-KFKAGJAMSA-N 2 1 309.457 3.075 20 10 DGCDMP CCC[N@@H+](Cc1cc(F)c(Cl)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001236843272 1099829625 /nfs/dbraw/zinc/82/96/25/1099829625.db2.gz MPWHWPYYUQBRDD-LLVKDONJSA-N 2 1 300.805 3.006 20 10 DGCDMP CCC[N@H+](Cc1cc(F)c(Cl)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001236843272 1099829634 /nfs/dbraw/zinc/82/96/34/1099829634.db2.gz MPWHWPYYUQBRDD-LLVKDONJSA-N 2 1 300.805 3.006 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])C2)c(OC)c1 ZINC001237056744 1099947745 /nfs/dbraw/zinc/94/77/45/1099947745.db2.gz JJAWMIKKKDZEKR-LJQANCHMSA-N 2 1 319.493 3.102 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c(OC)c1 ZINC001237056744 1099947749 /nfs/dbraw/zinc/94/77/49/1099947749.db2.gz JJAWMIKKKDZEKR-LJQANCHMSA-N 2 1 319.493 3.102 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237379615 1100098017 /nfs/dbraw/zinc/09/80/17/1100098017.db2.gz CCGBSAIEODQGSC-MJGOQNOKSA-N 2 1 301.478 3.107 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237386756 1100103373 /nfs/dbraw/zinc/10/33/73/1100103373.db2.gz AFZKSIAWZYIISU-ICSRJNTNSA-N 2 1 313.489 3.251 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246924389 1104740530 /nfs/dbraw/zinc/74/05/30/1104740530.db2.gz MFFVBEOUGYFTRE-RTBURBONSA-N 2 1 303.494 3.351 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]C3(C)CCCCC3)cc2F)CC1 ZINC001251726853 1105687555 /nfs/dbraw/zinc/68/75/55/1105687555.db2.gz LJWAWXZBASRSOB-UHFFFAOYSA-N 2 1 319.468 3.390 20 10 DGCDMP CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320422153 1107000463 /nfs/dbraw/zinc/00/04/63/1107000463.db2.gz BPIVKUYZBMAGMG-QAPCUYQASA-N 2 1 319.468 3.198 20 10 DGCDMP CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320422153 1107000478 /nfs/dbraw/zinc/00/04/78/1107000478.db2.gz BPIVKUYZBMAGMG-QAPCUYQASA-N 2 1 319.468 3.198 20 10 DGCDMP CC1=C(C)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001321091546 1107246086 /nfs/dbraw/zinc/24/60/86/1107246086.db2.gz YOPPNYSOSFZWLZ-UHFFFAOYSA-N 2 1 317.452 3.120 20 10 DGCDMP CC1=C(C)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001321091546 1107246100 /nfs/dbraw/zinc/24/61/00/1107246100.db2.gz YOPPNYSOSFZWLZ-UHFFFAOYSA-N 2 1 317.452 3.120 20 10 DGCDMP C[C@H]([N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)(C)C ZINC001324725237 1108443270 /nfs/dbraw/zinc/44/32/70/1108443270.db2.gz RNQDUQQRTOGRNL-HNNXBMFYSA-N 2 1 321.484 3.444 20 10 DGCDMP C[C@H]([N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)(C)C ZINC001324725237 1108443275 /nfs/dbraw/zinc/44/32/75/1108443275.db2.gz RNQDUQQRTOGRNL-HNNXBMFYSA-N 2 1 321.484 3.444 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1F ZINC001308553122 1111443297 /nfs/dbraw/zinc/44/32/97/1111443297.db2.gz HETCWGRLVYBSND-JFIYKMOQSA-N 2 1 319.468 3.102 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)CC1CC[NH+](C)CC1 ZINC000093088684 193202487 /nfs/dbraw/zinc/20/24/87/193202487.db2.gz NNUJKLLHVBUZCX-UHFFFAOYSA-N 2 1 315.505 3.451 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563587 193268792 /nfs/dbraw/zinc/26/87/92/193268792.db2.gz OVXSOFGSFCSXOO-LJQANCHMSA-N 2 1 301.478 3.203 20 10 DGCDMP Cc1c2ccccc2n(C)c1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000355120446 229303990 /nfs/dbraw/zinc/30/39/90/229303990.db2.gz JWGXWAVBHSZEMZ-UHFFFAOYSA-N 2 1 308.429 3.238 20 10 DGCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C2)CC1 ZINC000290478020 277032883 /nfs/dbraw/zinc/03/28/83/277032883.db2.gz NXMUFDOSQZALIW-CQSZACIVSA-N 2 1 308.853 3.209 20 10 DGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119660018 431713317 /nfs/dbraw/zinc/71/33/17/431713317.db2.gz GVDLYTHQAFXURI-OAHLLOKOSA-N 2 1 301.478 3.420 20 10 DGCDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC000173362635 432274034 /nfs/dbraw/zinc/27/40/34/432274034.db2.gz WLFCGFDGJAFYMB-VQIMIIECSA-N 2 1 301.478 3.107 20 10 DGCDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000184997681 432453758 /nfs/dbraw/zinc/45/37/58/432453758.db2.gz VMYULVXJILNGIL-LSDHHAIUSA-N 2 1 314.473 3.406 20 10 DGCDMP C[C@H]([NH2+]Cc1ccccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272183382 432457396 /nfs/dbraw/zinc/45/73/96/432457396.db2.gz KNSVTZPQIHCRBO-QFBILLFUSA-N 2 1 310.441 3.392 20 10 DGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279008854 432926113 /nfs/dbraw/zinc/92/61/13/432926113.db2.gz SOVSGMZJQMXNPI-CVEARBPZSA-N 2 1 312.461 3.252 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+](C)CCCn2cc[nH+]c2C)c1O ZINC000290461510 433057529 /nfs/dbraw/zinc/05/75/29/433057529.db2.gz NBJUTVNSQKXDLS-UHFFFAOYSA-N 2 1 323.824 3.081 20 10 DGCDMP COc1cc(Cl)cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1O ZINC000290461510 433057540 /nfs/dbraw/zinc/05/75/40/433057540.db2.gz NBJUTVNSQKXDLS-UHFFFAOYSA-N 2 1 323.824 3.081 20 10 DGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000178698601 527437804 /nfs/dbraw/zinc/43/78/04/527437804.db2.gz LPAXRYYTNDUZHG-LSDHHAIUSA-N 2 1 300.450 3.244 20 10 DGCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000743387620 575048453 /nfs/dbraw/zinc/04/84/53/575048453.db2.gz LLIOISBWRRHVOJ-OAHLLOKOSA-N 2 1 302.462 3.045 20 10 DGCDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)ccc1O ZINC000853240020 620680953 /nfs/dbraw/zinc/68/09/53/620680953.db2.gz LOZBBPQQJBDKKR-UKRRQHHQSA-N 2 1 306.425 3.304 20 10 DGCDMP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(N2CCCCCC2)cc1 ZINC000854227787 620786714 /nfs/dbraw/zinc/78/67/14/620786714.db2.gz QMQXLSOOKLVMOF-VXESANQCSA-N 2 1 313.489 3.470 20 10 DGCDMP COc1cc(Cl)cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000903959946 619840133 /nfs/dbraw/zinc/84/01/33/619840133.db2.gz SOAQFGHPRVQNBO-QGZVFWFLSA-N 2 1 324.852 3.020 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000903959946 619840135 /nfs/dbraw/zinc/84/01/35/619840135.db2.gz SOAQFGHPRVQNBO-QGZVFWFLSA-N 2 1 324.852 3.020 20 10 DGCDMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1N(C)C ZINC000923365137 621178845 /nfs/dbraw/zinc/17/88/45/621178845.db2.gz UALFGMBVYOKIOP-MJGOQNOKSA-N 2 1 301.478 3.025 20 10 DGCDMP Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1N(C)C ZINC000923382320 621180472 /nfs/dbraw/zinc/18/04/72/621180472.db2.gz BVIWJLIWHFDXHA-MRXNPFEDSA-N 2 1 301.478 3.025 20 10 DGCDMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000858490664 621197572 /nfs/dbraw/zinc/19/75/72/621197572.db2.gz LKSKNMYGRZHIGH-UMVBOHGHSA-N 2 1 306.425 3.401 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000839182847 621343673 /nfs/dbraw/zinc/34/36/73/621343673.db2.gz QPFDCHTUEQSOOH-MJICGBHWSA-N 2 1 301.478 3.087 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000839182848 621343805 /nfs/dbraw/zinc/34/38/05/621343805.db2.gz QPFDCHTUEQSOOH-SUZKBHRPSA-N 2 1 301.478 3.087 20 10 DGCDMP CCOCc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000839183262 621344803 /nfs/dbraw/zinc/34/48/03/621344803.db2.gz VOPSRTYRDBWUHE-INIZCTEOSA-N 2 1 320.477 3.053 20 10 DGCDMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2c1c(F)ccc2O ZINC000756402610 621635430 /nfs/dbraw/zinc/63/54/30/621635430.db2.gz VXDCMCHNEQGYNF-JMSVASOKSA-N 2 1 304.409 3.154 20 10 DGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000756450212 621639582 /nfs/dbraw/zinc/63/95/82/621639582.db2.gz RCEJVFWOIBZPOC-GZBFAFLISA-N 2 1 306.425 3.401 20 10 DGCDMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1C(F)(F)F ZINC000863646019 621693211 /nfs/dbraw/zinc/69/32/11/621693211.db2.gz FTUBLRIYCZKJLP-PWSUYJOCSA-N 2 1 322.758 3.005 20 10 DGCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1C(F)(F)F ZINC000863646019 621693212 /nfs/dbraw/zinc/69/32/12/621693212.db2.gz FTUBLRIYCZKJLP-PWSUYJOCSA-N 2 1 322.758 3.005 20 10 DGCDMP C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000757892320 621745357 /nfs/dbraw/zinc/74/53/57/621745357.db2.gz RPGJZQQFAGZEAJ-KRWDZBQOSA-N 2 1 324.472 3.026 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000769328356 622518384 /nfs/dbraw/zinc/51/83/84/622518384.db2.gz GKPOLLJJQWKJJE-UHFFFAOYSA-N 2 1 321.484 3.446 20 10 DGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(N(C)CC)cc2)CC1 ZINC000773752485 623067733 /nfs/dbraw/zinc/06/77/33/623067733.db2.gz CHAYIQUPLFJXFQ-UHFFFAOYSA-N 2 1 303.494 3.449 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773753300 623067798 /nfs/dbraw/zinc/06/77/98/623067798.db2.gz FPKRKPBNANIQNY-SFHVURJKSA-N 2 1 303.494 3.306 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773753300 623067805 /nfs/dbraw/zinc/06/78/05/623067805.db2.gz FPKRKPBNANIQNY-SFHVURJKSA-N 2 1 303.494 3.306 20 10 DGCDMP CCN(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000773754265 623068989 /nfs/dbraw/zinc/06/89/89/623068989.db2.gz LNRHVJZNFJPIJT-GOSISDBHSA-N 2 1 303.494 3.306 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000773754265 623068992 /nfs/dbraw/zinc/06/89/92/623068992.db2.gz LNRHVJZNFJPIJT-GOSISDBHSA-N 2 1 303.494 3.306 20 10 DGCDMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1O ZINC000775504319 623281810 /nfs/dbraw/zinc/28/18/10/623281810.db2.gz XKDWXNWWDHYGRK-SJLPKXTDSA-N 2 1 318.461 3.076 20 10 DGCDMP C[N@@H+](Cc1cccs1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775643473 623301754 /nfs/dbraw/zinc/30/17/54/623301754.db2.gz YRWHEFYVQOROAJ-UHFFFAOYSA-N 2 1 315.486 3.132 20 10 DGCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000775652943 623304629 /nfs/dbraw/zinc/30/46/29/623304629.db2.gz WMXXZQIRNOVTDF-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP CC(C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775689319 623314482 /nfs/dbraw/zinc/31/44/82/623314482.db2.gz CRXWFEJGXNNIDD-IBGZPJMESA-N 2 1 315.505 3.306 20 10 DGCDMP C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775702752 623315818 /nfs/dbraw/zinc/31/58/18/623315818.db2.gz WLTHQWKBLWLTPL-IRXDYDNUSA-N 2 1 301.478 3.059 20 10 DGCDMP CCOc1ccc(O)c(C[NH+]2CCC(CC)([NH+](C)C)CC2)c1 ZINC000877690976 623994008 /nfs/dbraw/zinc/99/40/08/623994008.db2.gz XNAWXXZKPJYBMV-UHFFFAOYSA-N 2 1 306.450 3.097 20 10 DGCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)CC[C@@H]21 ZINC000877741268 624013695 /nfs/dbraw/zinc/01/36/95/624013695.db2.gz AEMUXDSNVKWFNY-ICSRJNTNSA-N 2 1 313.489 3.203 20 10 DGCDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)CC[C@@H]21 ZINC000877741268 624013699 /nfs/dbraw/zinc/01/36/99/624013699.db2.gz AEMUXDSNVKWFNY-ICSRJNTNSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@@H]21 ZINC000877741268 624013706 /nfs/dbraw/zinc/01/37/06/624013706.db2.gz AEMUXDSNVKWFNY-ICSRJNTNSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@@H]21 ZINC000877741268 624013707 /nfs/dbraw/zinc/01/37/07/624013707.db2.gz AEMUXDSNVKWFNY-ICSRJNTNSA-N 2 1 313.489 3.203 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000796694289 626074143 /nfs/dbraw/zinc/07/41/43/626074143.db2.gz KZNPKPNRUFKILB-XUVXKRRUSA-N 2 1 315.505 3.495 20 10 DGCDMP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000798182349 626200376 /nfs/dbraw/zinc/20/03/76/626200376.db2.gz HCQQGVMWXDBLIJ-LLVKDONJSA-N 2 1 316.367 3.403 20 10 DGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1O ZINC000808675592 626848052 /nfs/dbraw/zinc/84/80/52/626848052.db2.gz MNJPYPMPXMDGQZ-CHWSQXEVSA-N 2 1 308.853 3.489 20 10 DGCDMP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1O ZINC000925803572 627797657 /nfs/dbraw/zinc/79/76/57/627797657.db2.gz RGZDDXORFROSGP-IJLUTSLNSA-N 2 1 316.367 3.307 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000816641727 627818364 /nfs/dbraw/zinc/81/83/64/627818364.db2.gz CZYSSJHCWPUTLK-HXUWFJFHSA-N 2 1 315.505 3.451 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000816641727 627818367 /nfs/dbraw/zinc/81/83/67/627818367.db2.gz CZYSSJHCWPUTLK-HXUWFJFHSA-N 2 1 315.505 3.451 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000816641727 627818369 /nfs/dbraw/zinc/81/83/69/627818369.db2.gz CZYSSJHCWPUTLK-HXUWFJFHSA-N 2 1 315.505 3.451 20 10 DGCDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816642073 627818561 /nfs/dbraw/zinc/81/85/61/627818561.db2.gz OQHMNSMIXZPZOH-FQEVSTJZSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816642073 627818562 /nfs/dbraw/zinc/81/85/62/627818562.db2.gz OQHMNSMIXZPZOH-FQEVSTJZSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816642073 627818563 /nfs/dbraw/zinc/81/85/63/627818563.db2.gz OQHMNSMIXZPZOH-FQEVSTJZSA-N 2 1 310.441 3.463 20 10 DGCDMP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817953812 627973488 /nfs/dbraw/zinc/97/34/88/627973488.db2.gz RSMBPXVOTJZVLA-DGCLKSJQSA-N 2 1 302.340 3.204 20 10 DGCDMP C[C@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000817957250 627974044 /nfs/dbraw/zinc/97/40/44/627974044.db2.gz KEGYKEIEVKDNGW-FXAWDEMLSA-N 2 1 323.484 3.312 20 10 DGCDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817960335 627975724 /nfs/dbraw/zinc/97/57/24/627975724.db2.gz MEDDDHKQAIFTFB-CXAGYDPISA-N 2 1 305.441 3.204 20 10 DGCDMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817969546 627978929 /nfs/dbraw/zinc/97/89/29/627978929.db2.gz WSGMVWNDQCZSCG-QWRGUYRKSA-N 2 1 302.340 3.204 20 10 DGCDMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Cl)c(Cl)cc1O ZINC000817968263 627979026 /nfs/dbraw/zinc/97/90/26/627979026.db2.gz IUMXROXXCSAALO-ZJUUUORDSA-N 2 1 303.233 3.492 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000824854943 628700840 /nfs/dbraw/zinc/70/08/40/628700840.db2.gz DRIOFFQUEOJCLE-CQSZACIVSA-N 2 1 308.853 3.272 20 10 DGCDMP CC[NH+]1CCC([N@H+](C)C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835025327 629828341 /nfs/dbraw/zinc/82/83/41/629828341.db2.gz IBWNVCIRDKUJJG-VOTSOKGWSA-N 2 1 301.478 3.182 20 10 DGCDMP CC[NH+]1CCC([N@@H+](C)C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835025327 629828344 /nfs/dbraw/zinc/82/83/44/629828344.db2.gz IBWNVCIRDKUJJG-VOTSOKGWSA-N 2 1 301.478 3.182 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@]1(C)C[NH3+] ZINC000841088118 630406930 /nfs/dbraw/zinc/40/69/30/630406930.db2.gz YACITSBXMKSJQM-VQIMIIECSA-N 2 1 301.478 3.094 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843043923 630607834 /nfs/dbraw/zinc/60/78/34/630607834.db2.gz DCBWPCBMTLGFBX-HKUYNNGSSA-N 2 1 301.478 3.025 20 10 DGCDMP CC[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)c(F)c2)CC[C@@H]1[NH3+] ZINC000843051990 630608784 /nfs/dbraw/zinc/60/87/84/630608784.db2.gz JMPDZTXWUCKZSP-WBVHZDCISA-N 2 1 307.457 3.231 20 10 DGCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)c(F)c2)CC[C@@H]1[NH3+] ZINC000843051990 630608785 /nfs/dbraw/zinc/60/87/85/630608785.db2.gz JMPDZTXWUCKZSP-WBVHZDCISA-N 2 1 307.457 3.231 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126646 630616727 /nfs/dbraw/zinc/61/67/27/630616727.db2.gz MNOKTBBZQMJAGH-MJGOQNOKSA-N 2 1 315.505 3.273 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000844220677 630712735 /nfs/dbraw/zinc/71/27/35/630712735.db2.gz JLGYFPINFAURMF-KRWDZBQOSA-N 2 1 303.494 3.354 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]1CC[NH3+] ZINC000844900687 630970715 /nfs/dbraw/zinc/97/07/15/630970715.db2.gz CQEYFWAGPMEDNQ-ZWNOBZJWSA-N 2 1 300.805 3.134 20 10 DGCDMP COc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1O ZINC000846138983 631211453 /nfs/dbraw/zinc/21/14/53/631211453.db2.gz ZGYYTEDKRLFDEV-CABCVRRESA-N 2 1 306.450 3.316 20 10 DGCDMP CCc1cccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1O ZINC000848919923 631787892 /nfs/dbraw/zinc/78/78/92/631787892.db2.gz VULUMQFDPYAUBR-UXHICEINSA-N 2 1 324.468 3.390 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000164537782 658937624 /nfs/dbraw/zinc/93/76/24/658937624.db2.gz OFYVKLGKVSSKBW-APWZRJJASA-N 2 1 314.473 3.458 20 10 DGCDMP Oc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000179569341 659932925 /nfs/dbraw/zinc/93/29/25/659932925.db2.gz ZYSXGRYISJEKCD-KRWDZBQOSA-N 2 1 302.462 3.480 20 10 DGCDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000245538316 662235585 /nfs/dbraw/zinc/23/55/85/662235585.db2.gz JUGXUYLLKPDOGL-PKOBYXMFSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000245538316 662235587 /nfs/dbraw/zinc/23/55/87/662235587.db2.gz JUGXUYLLKPDOGL-PKOBYXMFSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000245538316 662235588 /nfs/dbraw/zinc/23/55/88/662235588.db2.gz JUGXUYLLKPDOGL-PKOBYXMFSA-N 2 1 314.473 3.187 20 10 DGCDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2c(O)ccc3ccccc32)C1 ZINC000246197267 662250321 /nfs/dbraw/zinc/25/03/21/662250321.db2.gz AKRPREMIDIUEGI-LPHOPBHVSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2c(O)ccc3ccccc32)C1 ZINC000246197267 662250322 /nfs/dbraw/zinc/25/03/22/662250322.db2.gz AKRPREMIDIUEGI-LPHOPBHVSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2c(O)ccc3ccccc32)C1 ZINC000246197267 662250325 /nfs/dbraw/zinc/25/03/25/662250325.db2.gz AKRPREMIDIUEGI-LPHOPBHVSA-N 2 1 310.441 3.462 20 10 DGCDMP CC(C)CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001620709642 1192071264 /nfs/dbraw/zinc/07/12/64/1192071264.db2.gz RLWVGMYHDBWTOT-UHFFFAOYSA-N 2 1 307.457 3.103 20 10 DGCDMP C[C@@H](CC1CCC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001461665233 1182841102 /nfs/dbraw/zinc/84/11/02/1182841102.db2.gz CAPZWXZTUIOGSF-HNNXBMFYSA-N 2 1 319.468 3.246 20 10 DGCDMP COc1cc(C)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c1 ZINC001461935528 1182881936 /nfs/dbraw/zinc/88/19/36/1182881936.db2.gz OBDSJRSXAVZZQW-INIZCTEOSA-N 2 1 318.461 3.160 20 10 DGCDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001473965238 1183840331 /nfs/dbraw/zinc/84/03/31/1183840331.db2.gz XRNIPOMWRLMOPT-SFHVURJKSA-N 2 1 301.478 3.108 20 10 DGCDMP c1cc2c(cc1CNC[C@@H]1CC[N@@H+]1C1CCCC1)CCCO2 ZINC001657784749 1196178046 /nfs/dbraw/zinc/17/80/46/1196178046.db2.gz HYAXQCAHMJZJIN-SFHVURJKSA-N 2 1 300.446 3.118 20 10 DGCDMP c1cc2c(cc1CNC[C@@H]1CC[N@H+]1C1CCCC1)CCCO2 ZINC001657784749 1196178049 /nfs/dbraw/zinc/17/80/49/1196178049.db2.gz HYAXQCAHMJZJIN-SFHVURJKSA-N 2 1 300.446 3.118 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC=CCC3)cc2F)CC1 ZINC001658017294 1196203032 /nfs/dbraw/zinc/20/30/32/1196203032.db2.gz LKSJBVAFOGECNZ-UHFFFAOYSA-N 2 1 317.452 3.166 20 10 DGCDMP CN1CCCc2cc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)ccc21 ZINC000323675879 1197691699 /nfs/dbraw/zinc/69/16/99/1197691699.db2.gz GGCQBQCYEMSTQJ-QGZVFWFLSA-N 2 1 313.489 3.033 20 10 DGCDMP C[C@H](CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[NH+](C)C ZINC001203270796 1090710249 /nfs/dbraw/zinc/71/02/49/1090710249.db2.gz OSLPAIHATFDGKF-GFCCVEGCSA-N 2 1 317.399 3.201 20 10 DGCDMP C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@@H]1[NH3+] ZINC001205889277 1091394455 /nfs/dbraw/zinc/39/44/55/1091394455.db2.gz XCQHYCHIAOIGCF-ACJLOTCBSA-N 2 1 314.404 3.367 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@@H]1[NH3+] ZINC001205889277 1091394466 /nfs/dbraw/zinc/39/44/66/1091394466.db2.gz XCQHYCHIAOIGCF-ACJLOTCBSA-N 2 1 314.404 3.367 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCC[C@H]1C[NH3+] ZINC001205992045 1091439590 /nfs/dbraw/zinc/43/95/90/1091439590.db2.gz CYLFGVZSNZFTEO-MJGOQNOKSA-N 2 1 315.505 3.484 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCC[C@@H]1C[NH3+] ZINC001205992044 1091439677 /nfs/dbraw/zinc/43/96/77/1091439677.db2.gz CYLFGVZSNZFTEO-IEBWSBKVSA-N 2 1 315.505 3.484 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CCC[C@H]1C[NH3+] ZINC001206022800 1091455513 /nfs/dbraw/zinc/45/55/13/1091455513.db2.gz CUVSZEXGRMWJPI-CABCVRRESA-N 2 1 304.478 3.497 20 10 DGCDMP COc1cc(C[N@H+]2CCCC[C@](C)(F)C2)cc(C[NH+](C)C)c1O ZINC001139254081 1091502177 /nfs/dbraw/zinc/50/21/77/1091502177.db2.gz CWRGCZOKBHLAJE-SFHVURJKSA-N 2 1 324.440 3.177 20 10 DGCDMP CCC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)[C@@H](C)CC ZINC001139253072 1091502750 /nfs/dbraw/zinc/50/27/50/1091502750.db2.gz KOVQZLMBJXFSEE-AWEZNQCLSA-N 2 1 308.466 3.473 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139257218 1091502844 /nfs/dbraw/zinc/50/28/44/1091502844.db2.gz UYALSHPBQZTSIZ-KBPBESRZSA-N 2 1 306.450 3.083 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206342707 1091585315 /nfs/dbraw/zinc/58/53/15/1091585315.db2.gz ADKFZQWJLYFIEU-GOSISDBHSA-N 2 1 307.457 3.186 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)cc1 ZINC001206342707 1091585325 /nfs/dbraw/zinc/58/53/25/1091585325.db2.gz ADKFZQWJLYFIEU-GOSISDBHSA-N 2 1 307.457 3.186 20 10 DGCDMP [NH3+]CCC1CC[NH+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001206507044 1091654109 /nfs/dbraw/zinc/65/41/09/1091654109.db2.gz YDUPBWOVUHEDMO-UHFFFAOYSA-N 2 1 303.233 3.260 20 10 DGCDMP CN1CCCc2cc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)ccc21 ZINC001206550043 1091665512 /nfs/dbraw/zinc/66/55/12/1091665512.db2.gz UBDLLLCWEYQXCV-IBGZPJMESA-N 2 1 301.478 3.020 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(F)C3)cc2)CC1 ZINC001140301886 1091817995 /nfs/dbraw/zinc/81/79/95/1091817995.db2.gz CFEBMLMCGJAHAM-LJQANCHMSA-N 2 1 319.468 3.153 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](C)C[C@H]3CF)cc2)CC1 ZINC001140302546 1091820360 /nfs/dbraw/zinc/82/03/60/1091820360.db2.gz UBAUBEHAABFCLG-LPHOPBHVSA-N 2 1 319.468 3.008 20 10 DGCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC001276551454 1092159035 /nfs/dbraw/zinc/15/90/35/1092159035.db2.gz JHOYSNQEZGUYCX-CTXDPNEZSA-N 2 1 313.489 3.392 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143171 1092559546 /nfs/dbraw/zinc/55/95/46/1092559546.db2.gz YSKDZHZCLOARRS-ACDBMABISA-N 2 1 313.489 3.344 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143171 1092559551 /nfs/dbraw/zinc/55/95/51/1092559551.db2.gz YSKDZHZCLOARRS-ACDBMABISA-N 2 1 313.489 3.344 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143171 1092559556 /nfs/dbraw/zinc/55/95/56/1092559556.db2.gz YSKDZHZCLOARRS-ACDBMABISA-N 2 1 313.489 3.344 20 10 DGCDMP CC(C)CC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116017133 1095437016 /nfs/dbraw/zinc/43/70/16/1095437016.db2.gz HKBXLCWRVQQGDA-MRXNPFEDSA-N 2 1 321.484 3.492 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1O ZINC001222147980 1095457384 /nfs/dbraw/zinc/45/73/84/1095457384.db2.gz GWYLROWKVUTWQE-LJQANCHMSA-N 2 1 302.462 3.265 20 10 DGCDMP CC(C)(C)c1cccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c1O ZINC001222249951 1095511614 /nfs/dbraw/zinc/51/16/14/1095511614.db2.gz YHWKQXSJHODLMO-IBGZPJMESA-N 2 1 302.462 3.408 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c1O ZINC001222249951 1095511623 /nfs/dbraw/zinc/51/16/23/1095511623.db2.gz YHWKQXSJHODLMO-IBGZPJMESA-N 2 1 302.462 3.408 20 10 DGCDMP CN1CCCc2cc(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)ccc21 ZINC001222315421 1095545591 /nfs/dbraw/zinc/54/55/91/1095545591.db2.gz NMMVFKHNESJNPQ-HXUWFJFHSA-N 2 1 313.489 3.177 20 10 DGCDMP C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116444987 1095557446 /nfs/dbraw/zinc/55/74/46/1095557446.db2.gz KPTWBHNDRFFBDG-JKSUJKDBSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116444987 1095557454 /nfs/dbraw/zinc/55/74/54/1095557454.db2.gz KPTWBHNDRFFBDG-JKSUJKDBSA-N 2 1 319.468 3.198 20 10 DGCDMP Oc1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629169 1095701035 /nfs/dbraw/zinc/70/10/35/1095701035.db2.gz CWIWSUQSLQXKIK-PHIMTYICSA-N 2 1 315.244 3.130 20 10 DGCDMP Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629169 1095701049 /nfs/dbraw/zinc/70/10/49/1095701049.db2.gz CWIWSUQSLQXKIK-PHIMTYICSA-N 2 1 315.244 3.130 20 10 DGCDMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(Cl)c(C)cc3O)C[C@@H]2C1 ZINC001231871459 1097872207 /nfs/dbraw/zinc/87/22/07/1097872207.db2.gz KZRQACDBZZZWCE-GJZGRUSLSA-N 2 1 308.853 3.128 20 10 DGCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233284943 1098274384 /nfs/dbraw/zinc/27/43/84/1098274384.db2.gz NEMDHIZPBVSASQ-ZBFHGGJFSA-N 2 1 302.462 3.073 20 10 DGCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233284943 1098274388 /nfs/dbraw/zinc/27/43/88/1098274388.db2.gz NEMDHIZPBVSASQ-ZBFHGGJFSA-N 2 1 302.462 3.073 20 10 DGCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233284943 1098274393 /nfs/dbraw/zinc/27/43/93/1098274393.db2.gz NEMDHIZPBVSASQ-ZBFHGGJFSA-N 2 1 302.462 3.073 20 10 DGCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233287215 1098276884 /nfs/dbraw/zinc/27/68/84/1098276884.db2.gz BURHHYRJHNXDBQ-IYBDPMFKSA-N 2 1 302.462 3.073 20 10 DGCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233287215 1098276890 /nfs/dbraw/zinc/27/68/90/1098276890.db2.gz BURHHYRJHNXDBQ-IYBDPMFKSA-N 2 1 302.462 3.073 20 10 DGCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233287215 1098276896 /nfs/dbraw/zinc/27/68/96/1098276896.db2.gz BURHHYRJHNXDBQ-IYBDPMFKSA-N 2 1 302.462 3.073 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC001234991347 1098736103 /nfs/dbraw/zinc/73/61/03/1098736103.db2.gz FFWLPYSGGZLZEP-OAQYLSRUSA-N 2 1 323.484 3.481 20 10 DGCDMP CN(C)c1ccc(C[N@@H+]2CCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235145347 1098836194 /nfs/dbraw/zinc/83/61/94/1098836194.db2.gz UOWSCCUNNMXNAL-UHFFFAOYSA-N 2 1 307.869 3.124 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)c(Cl)c1 ZINC001235145347 1098836202 /nfs/dbraw/zinc/83/62/02/1098836202.db2.gz UOWSCCUNNMXNAL-UHFFFAOYSA-N 2 1 307.869 3.124 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c(O)c1 ZINC001235405915 1099001851 /nfs/dbraw/zinc/00/18/51/1099001851.db2.gz POTZZHBJIAWTES-MJGOQNOKSA-N 2 1 320.452 3.213 20 10 DGCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235680094 1099124755 /nfs/dbraw/zinc/12/47/55/1099124755.db2.gz HUKPELDRHUNEPI-CALCHBBNSA-N 2 1 316.489 3.463 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235680094 1099124760 /nfs/dbraw/zinc/12/47/60/1099124760.db2.gz HUKPELDRHUNEPI-CALCHBBNSA-N 2 1 316.489 3.463 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235680094 1099124767 /nfs/dbraw/zinc/12/47/67/1099124767.db2.gz HUKPELDRHUNEPI-CALCHBBNSA-N 2 1 316.489 3.463 20 10 DGCDMP CCC[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235693930 1099132534 /nfs/dbraw/zinc/13/25/34/1099132534.db2.gz KFEDDTRWIUYSBM-MRXNPFEDSA-N 2 1 304.434 3.029 20 10 DGCDMP C[N@H+](CC[NH3+])CCC=C1c2ccccc2CCc2ccccc21 ZINC001236100638 1099388592 /nfs/dbraw/zinc/38/85/92/1099388592.db2.gz FQLFAAZSQQXUFS-UHFFFAOYSA-N 2 1 306.453 3.498 20 10 DGCDMP C[N@@H+](CC[NH3+])CCC=C1c2ccccc2CCc2ccccc21 ZINC001236100638 1099388604 /nfs/dbraw/zinc/38/86/04/1099388604.db2.gz FQLFAAZSQQXUFS-UHFFFAOYSA-N 2 1 306.453 3.498 20 10 DGCDMP C[N@H+](Cc1ccc(C(F)(F)F)cc1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216746 1099474227 /nfs/dbraw/zinc/47/42/27/1099474227.db2.gz MGPVWOLVLADABC-QWHCGFSZSA-N 2 1 302.340 3.113 20 10 DGCDMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216746 1099474235 /nfs/dbraw/zinc/47/42/35/1099474235.db2.gz MGPVWOLVLADABC-QWHCGFSZSA-N 2 1 302.340 3.113 20 10 DGCDMP Cc1ccc(C[N@@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)cc1C ZINC001236242240 1099496714 /nfs/dbraw/zinc/49/67/14/1099496714.db2.gz ZAVVWVHZSGALIE-UHFFFAOYSA-N 2 1 323.484 3.345 20 10 DGCDMP CC[N@H+](Cc1ccc(N(C)C)cc1)CC1CC2(C1)CC[NH2+]CC2 ZINC001236276724 1099514848 /nfs/dbraw/zinc/51/48/48/1099514848.db2.gz MLCDSABKSITXMA-UHFFFAOYSA-N 2 1 315.505 3.354 20 10 DGCDMP Cc1cccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1O ZINC001236300426 1099524243 /nfs/dbraw/zinc/52/42/43/1099524243.db2.gz BHBKGFDPZOREMV-UHFFFAOYSA-N 2 1 310.441 3.455 20 10 DGCDMP CC[N@H+](Cc1ccc(N(C)C)c2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC001236408967 1099582417 /nfs/dbraw/zinc/58/24/17/1099582417.db2.gz QRIPZGIAFKDOCY-MRXNPFEDSA-N 2 1 311.473 3.337 20 10 DGCDMP CCOc1cccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236473535 1099631453 /nfs/dbraw/zinc/63/14/53/1099631453.db2.gz KXZYNFLWSYRZLB-MRXNPFEDSA-N 2 1 306.450 3.001 20 10 DGCDMP CCOc1cccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236473535 1099631456 /nfs/dbraw/zinc/63/14/56/1099631456.db2.gz KXZYNFLWSYRZLB-MRXNPFEDSA-N 2 1 306.450 3.001 20 10 DGCDMP C[C@H]1CCCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236940376 1099881365 /nfs/dbraw/zinc/88/13/65/1099881365.db2.gz PDHXNTSMWKYQKM-INIZCTEOSA-N 2 1 319.468 3.342 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)[C@H]1C ZINC001236938243 1099882724 /nfs/dbraw/zinc/88/27/24/1099882724.db2.gz IMRINUWJJJFHBK-CVEARBPZSA-N 2 1 319.468 3.198 20 10 DGCDMP Oc1cc(F)c(F)cc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962396 1099893014 /nfs/dbraw/zinc/89/30/14/1099893014.db2.gz XSSAESKQORGECT-UHFFFAOYSA-N 2 1 324.415 3.272 20 10 DGCDMP Cc1ccc(O)c(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001237289223 1100063107 /nfs/dbraw/zinc/06/31/07/1100063107.db2.gz NXWMNSAOBVCCNF-UHFFFAOYSA-N 2 1 322.452 3.338 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237415418 1100119724 /nfs/dbraw/zinc/11/97/24/1100119724.db2.gz NMAGKGIEZPMSEI-YOEHRIQHSA-N 2 1 302.462 3.264 20 10 DGCDMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001205578499 1100567292 /nfs/dbraw/zinc/56/72/92/1100567292.db2.gz DFLVUKBSWHPDIA-CQSZACIVSA-N 2 1 320.330 3.064 20 10 DGCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001205578499 1100567298 /nfs/dbraw/zinc/56/72/98/1100567298.db2.gz DFLVUKBSWHPDIA-CQSZACIVSA-N 2 1 320.330 3.064 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc1Cl ZINC001276372541 1103688744 /nfs/dbraw/zinc/68/87/44/1103688744.db2.gz XMIBUAXTRMXYMU-UHFFFAOYSA-N 2 1 308.853 3.272 20 10 DGCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246527814 1104580474 /nfs/dbraw/zinc/58/04/74/1104580474.db2.gz VOFKXTAWWKAUMD-RDTXWAMCSA-N 2 1 302.462 3.364 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246902748 1104728825 /nfs/dbraw/zinc/72/88/25/1104728825.db2.gz UHNRDLXRYGCILO-MOPGFXCFSA-N 2 1 301.478 3.107 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)C2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001246900257 1104729352 /nfs/dbraw/zinc/72/93/52/1104729352.db2.gz HECGVZDSYIAKHF-UHFFFAOYSA-N 2 1 301.478 3.107 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246917394 1104737164 /nfs/dbraw/zinc/73/71/64/1104737164.db2.gz CQWYGHVUNNOFQJ-LJQANCHMSA-N 2 1 315.505 3.497 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246924023 1104738064 /nfs/dbraw/zinc/73/80/64/1104738064.db2.gz LKOQGSCZAIANCX-VQTJNVASSA-N 2 1 315.505 3.497 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1 ZINC001275833780 1104926360 /nfs/dbraw/zinc/92/63/60/1104926360.db2.gz QUFBSWDOZAUQSD-UHFFFAOYSA-N 2 1 301.478 3.060 20 10 DGCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@H]2CC1 ZINC001276287112 1105076788 /nfs/dbraw/zinc/07/67/88/1105076788.db2.gz NAQMLOPFLAWPKL-IYBDPMFKSA-N 2 1 316.489 3.463 20 10 DGCDMP CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256082423 1106367325 /nfs/dbraw/zinc/36/73/25/1106367325.db2.gz ZYBNTOIZNWCYGW-UHFFFAOYSA-N 2 1 301.478 3.201 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256082423 1106367328 /nfs/dbraw/zinc/36/73/28/1106367328.db2.gz ZYBNTOIZNWCYGW-UHFFFAOYSA-N 2 1 301.478 3.201 20 10 DGCDMP C[C@H](Cc1ccco1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001258182067 1106689127 /nfs/dbraw/zinc/68/91/27/1106689127.db2.gz USYNRMDHPIGHNT-OAHLLOKOSA-N 2 1 314.429 3.170 20 10 DGCDMP CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001323290838 1107920568 /nfs/dbraw/zinc/92/05/68/1107920568.db2.gz KFMRPYCOCLONBD-MRXNPFEDSA-N 2 1 319.468 3.200 20 10 DGCDMP CC[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001323290838 1107920574 /nfs/dbraw/zinc/92/05/74/1107920574.db2.gz KFMRPYCOCLONBD-MRXNPFEDSA-N 2 1 319.468 3.200 20 10 DGCDMP CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001323290838 1107920580 /nfs/dbraw/zinc/92/05/80/1107920580.db2.gz KFMRPYCOCLONBD-MRXNPFEDSA-N 2 1 319.468 3.200 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)C3(C)C)cc2)CC1 ZINC001323454181 1107979780 /nfs/dbraw/zinc/97/97/80/1107979780.db2.gz ZSJMQEBQTRQEAQ-UHFFFAOYSA-N 2 1 301.478 3.059 20 10 DGCDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(COCC)c2)C1 ZINC001308224018 1111400827 /nfs/dbraw/zinc/40/08/27/1111400827.db2.gz CDJIULLMKRFRLE-KRWDZBQOSA-N 2 1 320.477 3.053 20 10 DGCDMP CCC[N@@H+]1CCC[C@H]1CNC/C=C/c1ccc(N(C)C)cc1 ZINC001308399940 1111425035 /nfs/dbraw/zinc/42/50/35/1111425035.db2.gz SGGRQACXFONBSI-XZXOBPBMSA-N 2 1 301.478 3.230 20 10 DGCDMP CCC[N@H+]1CCC[C@H]1CNC/C=C/c1ccc(N(C)C)cc1 ZINC001308399940 1111425036 /nfs/dbraw/zinc/42/50/36/1111425036.db2.gz SGGRQACXFONBSI-XZXOBPBMSA-N 2 1 301.478 3.230 20 10 DGCDMP CC(C)c1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC001308569774 1111445515 /nfs/dbraw/zinc/44/55/15/1111445515.db2.gz IWOJJBHKNMLHHI-AEFFLSMTSA-N 2 1 302.462 3.432 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000069753975 400341369 /nfs/dbraw/zinc/34/13/69/400341369.db2.gz VLJIFEWIALIWQR-UHFFFAOYSA-N 2 1 300.450 3.218 20 10 DGCDMP CCOc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000093683568 431917465 /nfs/dbraw/zinc/91/74/65/431917465.db2.gz IQMUSDSWOFYZLF-INIZCTEOSA-N 2 1 318.461 3.099 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC000173362621 432274372 /nfs/dbraw/zinc/27/43/72/432274372.db2.gz WLFCGFDGJAFYMB-APWZRJJASA-N 2 1 301.478 3.107 20 10 DGCDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000263674599 432565199 /nfs/dbraw/zinc/56/51/99/432565199.db2.gz KSDMMNFNQWPBTP-MRXNPFEDSA-N 2 1 310.441 3.491 20 10 DGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000178698609 432767937 /nfs/dbraw/zinc/76/79/37/432767937.db2.gz LPAXRYYTNDUZHG-HUUCEWRRSA-N 2 1 300.450 3.244 20 10 DGCDMP Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000129218268 526363375 /nfs/dbraw/zinc/36/33/75/526363375.db2.gz KMCIJSFRJILOGK-CQSZACIVSA-N 2 1 308.853 3.496 20 10 DGCDMP Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000129218268 526363379 /nfs/dbraw/zinc/36/33/79/526363379.db2.gz KMCIJSFRJILOGK-CQSZACIVSA-N 2 1 308.853 3.496 20 10 DGCDMP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(O)c1 ZINC000853093589 620668089 /nfs/dbraw/zinc/66/80/89/620668089.db2.gz OQDZWKARBGWDDH-MRXNPFEDSA-N 2 1 318.461 3.003 20 10 DGCDMP Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093795 620667780 /nfs/dbraw/zinc/66/77/80/620667780.db2.gz RJJBDHJJTLUURJ-CQSZACIVSA-N 2 1 308.853 3.257 20 10 DGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000840918002 618529992 /nfs/dbraw/zinc/52/99/92/618529992.db2.gz XTOUBNMTDXREJJ-VQIMIIECSA-N 2 1 303.494 3.223 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000840918002 618529998 /nfs/dbraw/zinc/52/99/98/618529998.db2.gz XTOUBNMTDXREJJ-VQIMIIECSA-N 2 1 303.494 3.223 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000840918002 618530000 /nfs/dbraw/zinc/53/00/00/618530000.db2.gz XTOUBNMTDXREJJ-VQIMIIECSA-N 2 1 303.494 3.223 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841086257 620225337 /nfs/dbraw/zinc/22/53/37/620225337.db2.gz GRTMPRZDJRSMQZ-QFBILLFUSA-N 2 1 301.478 3.025 20 10 DGCDMP CCOCc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000839183263 621344244 /nfs/dbraw/zinc/34/42/44/621344244.db2.gz VOPSRTYRDBWUHE-MRXNPFEDSA-N 2 1 320.477 3.053 20 10 DGCDMP COc1cc(C)cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1O ZINC000754731800 621528986 /nfs/dbraw/zinc/52/89/86/621528986.db2.gz HIYQXQGTWKWDEY-UHFFFAOYSA-N 2 1 320.477 3.261 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000755777273 621593267 /nfs/dbraw/zinc/59/32/67/621593267.db2.gz BFLJSLDFVRAUCD-KRWDZBQOSA-N 2 1 302.462 3.173 20 10 DGCDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000764967362 622236685 /nfs/dbraw/zinc/23/66/85/622236685.db2.gz UFAAJAPZCXMRRW-IPMKNSEASA-N 2 1 301.478 3.420 20 10 DGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000764967362 622236688 /nfs/dbraw/zinc/23/66/88/622236688.db2.gz UFAAJAPZCXMRRW-IPMKNSEASA-N 2 1 301.478 3.420 20 10 DGCDMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(N(C)C)cc1 ZINC000765140851 622249083 /nfs/dbraw/zinc/24/90/83/622249083.db2.gz HDVJXBKCTHRBPS-GOSISDBHSA-N 2 1 300.450 3.389 20 10 DGCDMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c(O)c1 ZINC000769470748 622530901 /nfs/dbraw/zinc/53/09/01/622530901.db2.gz OTNBYTGUMINLNU-HOCLYGCPSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c(O)c1 ZINC000769470748 622530903 /nfs/dbraw/zinc/53/09/03/622530903.db2.gz OTNBYTGUMINLNU-HOCLYGCPSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c(O)c1 ZINC000769470748 622530905 /nfs/dbraw/zinc/53/09/05/622530905.db2.gz OTNBYTGUMINLNU-HOCLYGCPSA-N 2 1 306.450 3.096 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000773753962 623067307 /nfs/dbraw/zinc/06/73/07/623067307.db2.gz NVVAZFBOMWLDBI-GOSISDBHSA-N 2 1 301.478 3.060 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000773815314 623074312 /nfs/dbraw/zinc/07/43/12/623074312.db2.gz BFVHIQPBBIPUMS-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000773815314 623074317 /nfs/dbraw/zinc/07/43/17/623074317.db2.gz BFVHIQPBBIPUMS-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000775025221 623217345 /nfs/dbraw/zinc/21/73/45/623217345.db2.gz UCBKZJQXORUZDU-UHFFFAOYSA-N 2 1 312.816 3.149 20 10 DGCDMP CC(C)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000775653871 623304810 /nfs/dbraw/zinc/30/48/10/623304810.db2.gz DYXOSHDTWCLBDU-UHFFFAOYSA-N 2 1 303.494 3.305 20 10 DGCDMP CC(C)[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775652577 623305108 /nfs/dbraw/zinc/30/51/08/623305108.db2.gz NFRIEHWVLJZWLI-LJQANCHMSA-N 2 1 301.478 3.059 20 10 DGCDMP CSCC[C@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775715117 623318790 /nfs/dbraw/zinc/31/87/90/623318790.db2.gz WMYZXYSIRGDCTH-INIZCTEOSA-N 2 1 321.534 3.012 20 10 DGCDMP C[C@H]([N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)C1(C)CC1 ZINC000775736378 623322114 /nfs/dbraw/zinc/32/21/14/623322114.db2.gz RWJGKAXFIIKAPG-INIZCTEOSA-N 2 1 301.478 3.059 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000777469906 623529478 /nfs/dbraw/zinc/52/94/78/623529478.db2.gz PHYQCCFWWSNBLX-LPHOPBHVSA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000777469906 623529480 /nfs/dbraw/zinc/52/94/80/623529480.db2.gz PHYQCCFWWSNBLX-LPHOPBHVSA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000777469906 623529483 /nfs/dbraw/zinc/52/94/83/623529483.db2.gz PHYQCCFWWSNBLX-LPHOPBHVSA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000777469906 623529485 /nfs/dbraw/zinc/52/94/85/623529485.db2.gz PHYQCCFWWSNBLX-LPHOPBHVSA-N 2 1 303.494 3.305 20 10 DGCDMP COc1cccc(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c1O ZINC000877795275 624036086 /nfs/dbraw/zinc/03/60/86/624036086.db2.gz FCTIDKSFASIBSR-UHFFFAOYSA-N 2 1 318.461 3.241 20 10 DGCDMP Cc1cc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC000788783717 625264425 /nfs/dbraw/zinc/26/44/25/625264425.db2.gz NSFRFCACQFUTFO-IRXDYDNUSA-N 2 1 320.477 3.161 20 10 DGCDMP Cc1cc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC000788783719 625264893 /nfs/dbraw/zinc/26/48/93/625264893.db2.gz NSFRFCACQFUTFO-SJORKVTESA-N 2 1 320.477 3.161 20 10 DGCDMP CC[C@H](CSC)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809767048 626949210 /nfs/dbraw/zinc/94/92/10/626949210.db2.gz FSJSJKQZYGHCAA-QGZVFWFLSA-N 2 1 321.534 3.012 20 10 DGCDMP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1c(O)cccc1F ZINC000886548269 627160832 /nfs/dbraw/zinc/16/08/32/627160832.db2.gz ZTWKNQGPTHKFPL-ZNMIVQPWSA-N 2 1 324.440 3.071 20 10 DGCDMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1c(O)cccc1F ZINC000886548269 627160834 /nfs/dbraw/zinc/16/08/34/627160834.db2.gz ZTWKNQGPTHKFPL-ZNMIVQPWSA-N 2 1 324.440 3.071 20 10 DGCDMP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1c(O)cccc1F ZINC000886548268 627161085 /nfs/dbraw/zinc/16/10/85/627161085.db2.gz ZTWKNQGPTHKFPL-RBSFLKMASA-N 2 1 324.440 3.071 20 10 DGCDMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817945722 627970712 /nfs/dbraw/zinc/97/07/12/627970712.db2.gz KHTDIWDQOOKLFM-QWRGUYRKSA-N 2 1 302.340 3.061 20 10 DGCDMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817966284 627977798 /nfs/dbraw/zinc/97/77/98/627977798.db2.gz KJBIRPWRNJOWIG-ABAIWWIYSA-N 2 1 316.367 3.451 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(Cl)c(Cl)cc1O ZINC000817969233 627979137 /nfs/dbraw/zinc/97/91/37/627979137.db2.gz AAWDAGMUEPNMFB-VYUIOLGVSA-N 2 1 303.233 3.348 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1O ZINC000818431787 628022682 /nfs/dbraw/zinc/02/26/82/628022682.db2.gz TVWNUPURBKUSJF-GFCCVEGCSA-N 2 1 324.852 3.018 20 10 DGCDMP Cc1cc(O)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1Cl ZINC000825884783 628806835 /nfs/dbraw/zinc/80/68/35/628806835.db2.gz AENPRNOEVMGOBW-YIONKMFJSA-N 2 1 308.853 3.411 20 10 DGCDMP Cc1cc(O)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000825884783 628806837 /nfs/dbraw/zinc/80/68/37/628806837.db2.gz AENPRNOEVMGOBW-YIONKMFJSA-N 2 1 308.853 3.411 20 10 DGCDMP Cc1cc(O)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000825884783 628806838 /nfs/dbraw/zinc/80/68/38/628806838.db2.gz AENPRNOEVMGOBW-YIONKMFJSA-N 2 1 308.853 3.411 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835026114 629827378 /nfs/dbraw/zinc/82/73/78/629827378.db2.gz QMDXNSFXYFLSPS-NCPUXXIWSA-N 2 1 315.505 3.428 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C\c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835026114 629827381 /nfs/dbraw/zinc/82/73/81/629827381.db2.gz QMDXNSFXYFLSPS-NCPUXXIWSA-N 2 1 315.505 3.428 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835026114 629827384 /nfs/dbraw/zinc/82/73/84/629827384.db2.gz QMDXNSFXYFLSPS-NCPUXXIWSA-N 2 1 315.505 3.428 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000835029124 629829076 /nfs/dbraw/zinc/82/90/76/629829076.db2.gz UYMNLQLMRQXDQJ-WAYWQWQTSA-N 2 1 301.478 3.039 20 10 DGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835035522 629830258 /nfs/dbraw/zinc/83/02/58/629830258.db2.gz IVWCBYFTQRORQC-OGZRUICASA-N 2 1 312.461 3.197 20 10 DGCDMP Cc1[nH+]ccn1CCCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041513 629831978 /nfs/dbraw/zinc/83/19/78/629831978.db2.gz XUBDEOZZLGIDMY-VOTSOKGWSA-N 2 1 312.461 3.341 20 10 DGCDMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840892570 630373609 /nfs/dbraw/zinc/37/36/09/630373609.db2.gz BGNDIRYYGWAHQE-MRXNPFEDSA-N 2 1 303.494 3.066 20 10 DGCDMP Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(Cl)c1 ZINC000840911136 630376322 /nfs/dbraw/zinc/37/63/22/630376322.db2.gz QQTLBSURCCPKNF-GFCCVEGCSA-N 2 1 305.809 3.457 20 10 DGCDMP Cc1cc([O-])c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(Cl)c1 ZINC000840911136 630376325 /nfs/dbraw/zinc/37/63/25/630376325.db2.gz QQTLBSURCCPKNF-GFCCVEGCSA-N 2 1 305.809 3.457 20 10 DGCDMP Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000841081478 630405361 /nfs/dbraw/zinc/40/53/61/630405361.db2.gz WMFJVGPQGFUOCM-NSHDSACASA-N 2 1 315.255 3.070 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000843044783 630607526 /nfs/dbraw/zinc/60/75/26/630607526.db2.gz JFTAFKNSBIQHNR-AZUAARDMSA-N 2 1 315.505 3.497 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000843046955 630608072 /nfs/dbraw/zinc/60/80/72/630608072.db2.gz IRXMZJZFBKNAOG-JJTKIYQPSA-N 2 1 301.478 3.248 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1O ZINC000843046036 630608297 /nfs/dbraw/zinc/60/82/97/630608297.db2.gz SVEAFAOLWJJPQA-XJKSGUPXSA-N 2 1 308.853 3.318 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045988 630608384 /nfs/dbraw/zinc/60/83/84/630608384.db2.gz SACSSDKKCSADLR-CZUORRHYSA-N 2 1 308.853 3.318 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045988 630608388 /nfs/dbraw/zinc/60/83/88/630608388.db2.gz SACSSDKKCSADLR-CZUORRHYSA-N 2 1 308.853 3.318 20 10 DGCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1[NH3+] ZINC000843053695 630608883 /nfs/dbraw/zinc/60/88/83/630608883.db2.gz RERHFNABBUBCHQ-IEBWSBKVSA-N 2 1 301.478 3.236 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000843117388 630615962 /nfs/dbraw/zinc/61/59/62/630615962.db2.gz PCQQJIAXSKEFPG-LJQANCHMSA-N 2 1 301.478 3.108 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843128911 630616884 /nfs/dbraw/zinc/61/68/84/630616884.db2.gz ZDPDUVIWOIPORG-KDURUIRLSA-N 2 1 313.489 3.108 20 10 DGCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000843128301 630617225 /nfs/dbraw/zinc/61/72/25/630617225.db2.gz VTJBZUUKOKGGME-HOTGVXAUSA-N 2 1 318.461 3.003 20 10 DGCDMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(N2CCCCC2)cc1 ZINC000844220476 630712670 /nfs/dbraw/zinc/71/26/70/630712670.db2.gz DWDRANFOJIHLDP-GOSISDBHSA-N 2 1 315.505 3.498 20 10 DGCDMP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(Cl)c(Cl)cc1O ZINC000844920177 630983141 /nfs/dbraw/zinc/98/31/41/630983141.db2.gz KPWAAIONRAAGPY-SECBINFHSA-N 2 1 303.233 3.479 20 10 DGCDMP COc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1O ZINC000846138985 631211334 /nfs/dbraw/zinc/21/13/34/631211334.db2.gz ZGYYTEDKRLFDEV-HUUCEWRRSA-N 2 1 306.450 3.316 20 10 DGCDMP CCc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1O ZINC000848912764 631784481 /nfs/dbraw/zinc/78/44/81/631784481.db2.gz VOOWWQUJXXOKBH-KRWDZBQOSA-N 2 1 302.462 3.118 20 10 DGCDMP C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)CC(C)(C)[NH3+] ZINC000849350830 631901378 /nfs/dbraw/zinc/90/13/78/631901378.db2.gz XSOHWWWGVOVYEW-UHFFFAOYSA-N 2 1 314.429 3.140 20 10 DGCDMP C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)CC(C)(C)[NH3+] ZINC000849350830 631901382 /nfs/dbraw/zinc/90/13/82/631901382.db2.gz XSOHWWWGVOVYEW-UHFFFAOYSA-N 2 1 314.429 3.140 20 10 DGCDMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850239975 632090630 /nfs/dbraw/zinc/09/06/30/632090630.db2.gz WVLKQRIICYKLSV-UHFFFAOYSA-N 2 1 318.461 3.050 20 10 DGCDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2c(cc1O)CCCC2 ZINC000185404193 660221483 /nfs/dbraw/zinc/22/14/83/660221483.db2.gz IHJHDYDQWAYAPQ-HUUCEWRRSA-N 2 1 302.462 3.263 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000236973825 657027372 /nfs/dbraw/zinc/02/73/72/657027372.db2.gz HRRIENRDMWBKFM-MOPGFXCFSA-N 2 1 301.478 3.249 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000236973825 657027377 /nfs/dbraw/zinc/02/73/77/657027377.db2.gz HRRIENRDMWBKFM-MOPGFXCFSA-N 2 1 301.478 3.249 20 10 DGCDMP COc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000248531603 662352026 /nfs/dbraw/zinc/35/20/26/662352026.db2.gz PBBMCDCJHNLBLE-HUUCEWRRSA-N 2 1 306.450 3.316 20 10 DGCDMP Cc1cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc1N1CCCCC1 ZINC001579592968 1191980939 /nfs/dbraw/zinc/98/09/39/1191980939.db2.gz OVOQNPVGQAAIBJ-UHFFFAOYSA-N 2 1 303.494 3.402 20 10 DGCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001341569512 1179029975 /nfs/dbraw/zinc/02/99/75/1179029975.db2.gz PUJKOSAJJVWIOA-SFHVURJKSA-N 2 1 301.478 3.060 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CCC(CC)([NH+](C)C)CC2)cc1 ZINC001460579347 1182697837 /nfs/dbraw/zinc/69/78/37/1182697837.db2.gz PDMUVALJZWZCDY-UHFFFAOYSA-N 2 1 303.494 3.449 20 10 DGCDMP CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1C ZINC001658176130 1196221373 /nfs/dbraw/zinc/22/13/73/1196221373.db2.gz ZHWJHHUFOMYWBH-RCCFBDPRSA-N 2 1 302.462 3.214 20 10 DGCDMP COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001659420804 1196381959 /nfs/dbraw/zinc/38/19/59/1196381959.db2.gz PWPGXIOAUWZQCG-LSDHHAIUSA-N 2 1 318.461 3.143 20 10 DGCDMP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(O)c1 ZINC001659520890 1196390618 /nfs/dbraw/zinc/39/06/18/1196390618.db2.gz YMYLXGAPAQQMAF-MOPGFXCFSA-N 2 1 310.441 3.136 20 10 DGCDMP CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001662628271 1196734958 /nfs/dbraw/zinc/73/49/58/1196734958.db2.gz FNLNUWUYRRVUPW-SJLPKXTDSA-N 2 1 319.468 3.102 20 10 DGCDMP CC[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140304580 1082124479 /nfs/dbraw/zinc/12/44/79/1082124479.db2.gz VPPXEEFFRRMMEY-SFHVURJKSA-N 2 1 301.478 3.203 20 10 DGCDMP C[N@@H+](Cc1ccccc1O)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994802 1086059928 /nfs/dbraw/zinc/05/99/28/1086059928.db2.gz PULTZWNUCMTAHJ-JWTNVVGKSA-N 2 1 300.446 3.229 20 10 DGCDMP C[NH+](Cc1ccccc1O)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994802 1086059931 /nfs/dbraw/zinc/05/99/31/1086059931.db2.gz PULTZWNUCMTAHJ-JWTNVVGKSA-N 2 1 300.446 3.229 20 10 DGCDMP C[NH+](Cc1ccccc1O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994802 1086059938 /nfs/dbraw/zinc/05/99/38/1086059938.db2.gz PULTZWNUCMTAHJ-JWTNVVGKSA-N 2 1 300.446 3.229 20 10 DGCDMP C[N@@H+](Cc1ccc(O)cc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001204282306 1090939575 /nfs/dbraw/zinc/93/95/75/1090939575.db2.gz PMJUVLPRBSJEEP-UHFFFAOYSA-N 2 1 318.461 3.327 20 10 DGCDMP CC(C)c1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001204741743 1091027608 /nfs/dbraw/zinc/02/76/08/1091027608.db2.gz AFYGYRMALOUYRE-UHFFFAOYSA-N 2 1 302.462 3.481 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@](C)([NH3+])CC3)c2c1 ZINC001205289616 1091167298 /nfs/dbraw/zinc/16/72/98/1091167298.db2.gz ZQVRPNAJUBHQJG-LJQANCHMSA-N 2 1 314.429 3.257 20 10 DGCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001205581530 1091266167 /nfs/dbraw/zinc/26/61/67/1091266167.db2.gz VGWJJFKXEGOQEC-SFHVURJKSA-N 2 1 302.393 3.198 20 10 DGCDMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001205591412 1091270986 /nfs/dbraw/zinc/27/09/86/1091270986.db2.gz MERHBIXPGSYGOY-AWEZNQCLSA-N 2 1 321.223 3.352 20 10 DGCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001205591412 1091270992 /nfs/dbraw/zinc/27/09/92/1091270992.db2.gz MERHBIXPGSYGOY-AWEZNQCLSA-N 2 1 321.223 3.352 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205603494 1091276288 /nfs/dbraw/zinc/27/62/88/1091276288.db2.gz PGWXXDJFFQEEAE-FUHWJXTLSA-N 2 1 303.494 3.340 20 10 DGCDMP COc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256306 1091501268 /nfs/dbraw/zinc/50/12/68/1091501268.db2.gz YFHJBPPCYVOYHY-IYBDPMFKSA-N 2 1 318.461 3.084 20 10 DGCDMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001206263389 1091556965 /nfs/dbraw/zinc/55/69/65/1091556965.db2.gz WGVYCGIWCSKNGB-AWEZNQCLSA-N 2 1 314.404 3.382 20 10 DGCDMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001206362728 1091600285 /nfs/dbraw/zinc/60/02/85/1091600285.db2.gz QDWPORNOAQJADO-GOSISDBHSA-N 2 1 302.393 3.198 20 10 DGCDMP COc1cc(O)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206572863 1091672835 /nfs/dbraw/zinc/67/28/35/1091672835.db2.gz GIJAFGVFLFPNRT-MRXNPFEDSA-N 2 1 312.841 3.005 20 10 DGCDMP Oc1ccc(F)cc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001140055754 1091752863 /nfs/dbraw/zinc/75/28/63/1091752863.db2.gz SNABLNUXPCGIEY-KRWDZBQOSA-N 2 1 306.425 3.372 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C)C[C@@H]3C)cc2)CC1 ZINC001140303828 1091820068 /nfs/dbraw/zinc/82/00/68/1091820068.db2.gz BKPBKGOCKRYNQJ-MSOLQXFVSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)C[C@H]3CC3(C)C)cc2)CC1 ZINC001140305752 1091820101 /nfs/dbraw/zinc/82/01/01/1091820101.db2.gz HGPCMIOTQHMEJS-GOSISDBHSA-N 2 1 315.505 3.306 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(Cl)c1 ZINC001140924034 1092065796 /nfs/dbraw/zinc/06/57/96/1092065796.db2.gz BBINNMRUFVOLEO-UHFFFAOYSA-N 2 1 321.896 3.324 20 10 DGCDMP C[N@H+](Cc1cc(O)ccc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001141162887 1092157205 /nfs/dbraw/zinc/15/72/05/1092157205.db2.gz JHBJMZKZNOOJER-UHFFFAOYSA-N 2 1 318.461 3.327 20 10 DGCDMP C[N@@H+](Cc1cc(O)ccc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001141162887 1092157209 /nfs/dbraw/zinc/15/72/09/1092157209.db2.gz JHBJMZKZNOOJER-UHFFFAOYSA-N 2 1 318.461 3.327 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1F ZINC001119990897 1094338124 /nfs/dbraw/zinc/33/81/24/1094338124.db2.gz YTAVELKVBXGJPE-BBWFWOEESA-N 2 1 319.468 3.054 20 10 DGCDMP COc1cc(C)c(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(O)c1 ZINC001276805967 1094988899 /nfs/dbraw/zinc/98/88/99/1094988899.db2.gz DRDYCHBPELBRSG-UHFFFAOYSA-N 2 1 318.461 3.017 20 10 DGCDMP Oc1cccc(F)c1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161584 1095466857 /nfs/dbraw/zinc/46/68/57/1095466857.db2.gz PULRAIPWFVZVHY-GOSISDBHSA-N 2 1 306.425 3.277 20 10 DGCDMP Oc1cccc(F)c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161584 1095466860 /nfs/dbraw/zinc/46/68/60/1095466860.db2.gz PULRAIPWFVZVHY-GOSISDBHSA-N 2 1 306.425 3.277 20 10 DGCDMP Cc1cccc(O)c1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222172012 1095476615 /nfs/dbraw/zinc/47/66/15/1095476615.db2.gz HGFGPDFUEWQSAI-LJQANCHMSA-N 2 1 302.462 3.446 20 10 DGCDMP CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001339509752 1095643500 /nfs/dbraw/zinc/64/35/00/1095643500.db2.gz MSSAJYJAAOAFCR-HZPDHXFCSA-N 2 1 321.484 3.492 20 10 DGCDMP Cc1cc(F)cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1O ZINC001277519515 1097751910 /nfs/dbraw/zinc/75/19/10/1097751910.db2.gz ZRYUVZUFSWKMIQ-UHFFFAOYSA-N 2 1 306.425 3.148 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2F)CC1 ZINC001177542013 1098553071 /nfs/dbraw/zinc/55/30/71/1098553071.db2.gz JDBZGOCRFPWRAN-MRXNPFEDSA-N 2 1 317.452 3.023 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c2ccccc21 ZINC001235270900 1098940485 /nfs/dbraw/zinc/94/04/85/1098940485.db2.gz NTBUSHNVBBLLEZ-LPHOPBHVSA-N 2 1 309.457 3.090 20 10 DGCDMP Cc1cccc(O)c1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235375208 1098985499 /nfs/dbraw/zinc/98/54/99/1098985499.db2.gz LTDZYLDROLNFBP-CTNGQTDRSA-N 2 1 322.452 3.280 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1N(C)C ZINC001235421691 1099013671 /nfs/dbraw/zinc/01/36/71/1099013671.db2.gz BXSRGNLZTFLFSK-OALUTQOASA-N 2 1 315.505 3.273 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711149 1099140185 /nfs/dbraw/zinc/14/01/85/1099140185.db2.gz KPROLNXIVMFHIE-UHFFFAOYSA-N 2 1 309.457 3.280 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)cc1 ZINC001235711149 1099140188 /nfs/dbraw/zinc/14/01/88/1099140188.db2.gz KPROLNXIVMFHIE-UHFFFAOYSA-N 2 1 309.457 3.280 20 10 DGCDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(C(F)(F)F)cc1O ZINC001235718305 1099146306 /nfs/dbraw/zinc/14/63/06/1099146306.db2.gz XJHSSUXFLHTIMD-UHFFFAOYSA-N 2 1 316.367 3.233 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC001235950400 1099283780 /nfs/dbraw/zinc/28/37/80/1099283780.db2.gz DWLYMMOFTUQHRS-INIZCTEOSA-N 2 1 311.473 3.337 20 10 DGCDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001236066180 1099367020 /nfs/dbraw/zinc/36/70/20/1099367020.db2.gz GFSCICBNEJXKAW-LBPRGKRZSA-N 2 1 310.869 3.384 20 10 DGCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001236066180 1099367028 /nfs/dbraw/zinc/36/70/28/1099367028.db2.gz GFSCICBNEJXKAW-LBPRGKRZSA-N 2 1 310.869 3.384 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217155 1099474511 /nfs/dbraw/zinc/47/45/11/1099474511.db2.gz NCRZCIZUABCFRG-RTBURBONSA-N 2 1 301.478 3.379 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217155 1099474513 /nfs/dbraw/zinc/47/45/13/1099474513.db2.gz NCRZCIZUABCFRG-RTBURBONSA-N 2 1 301.478 3.379 20 10 DGCDMP C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219711 1099477691 /nfs/dbraw/zinc/47/76/91/1099477691.db2.gz XMXDJTIPSNXEIQ-RTBURBONSA-N 2 1 313.489 3.087 20 10 DGCDMP C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219711 1099477694 /nfs/dbraw/zinc/47/76/94/1099477694.db2.gz XMXDJTIPSNXEIQ-RTBURBONSA-N 2 1 313.489 3.087 20 10 DGCDMP Oc1ccc(F)cc1C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236299676 1099521485 /nfs/dbraw/zinc/52/14/85/1099521485.db2.gz ITIXGVKOLCQGFK-UHFFFAOYSA-N 2 1 314.404 3.286 20 10 DGCDMP Oc1ccc(F)cc1C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236299676 1099521494 /nfs/dbraw/zinc/52/14/94/1099521494.db2.gz ITIXGVKOLCQGFK-UHFFFAOYSA-N 2 1 314.404 3.286 20 10 DGCDMP COc1cc(C)c(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236662666 1099730453 /nfs/dbraw/zinc/73/04/53/1099730453.db2.gz LKTIZSAPKQFYFT-MRXNPFEDSA-N 2 1 318.461 3.206 20 10 DGCDMP COc1cc(C)c(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236662666 1099730459 /nfs/dbraw/zinc/73/04/59/1099730459.db2.gz LKTIZSAPKQFYFT-MRXNPFEDSA-N 2 1 318.461 3.206 20 10 DGCDMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001236820360 1099806237 /nfs/dbraw/zinc/80/62/37/1099806237.db2.gz RDQXDHZHGYSXJF-DBVUQKKJSA-N 2 1 309.457 3.263 20 10 DGCDMP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(C(F)(F)F)ccc1O ZINC001237140160 1099990227 /nfs/dbraw/zinc/99/02/27/1099990227.db2.gz WWKVOKOMBQFBSR-UHFFFAOYSA-N 2 1 316.367 3.329 20 10 DGCDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C(F)(F)F)ccc1O ZINC001237140160 1099990233 /nfs/dbraw/zinc/99/02/33/1099990233.db2.gz WWKVOKOMBQFBSR-UHFFFAOYSA-N 2 1 316.367 3.329 20 10 DGCDMP Oc1cc2c(cc1C[N@H+]1CCC3(C1)CCCCC3)C[NH2+]CCO2 ZINC001237205388 1100032040 /nfs/dbraw/zinc/03/20/40/1100032040.db2.gz UGENSSZTXHPHAR-UHFFFAOYSA-N 2 1 316.445 3.030 20 10 DGCDMP Cc1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c(O)c1 ZINC001237287862 1100063853 /nfs/dbraw/zinc/06/38/53/1100063853.db2.gz ADSVREOLYULRFP-UHFFFAOYSA-N 2 1 322.452 3.338 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c(O)c1 ZINC001237415417 1100119691 /nfs/dbraw/zinc/11/96/91/1100119691.db2.gz NMAGKGIEZPMSEI-WMLDXEAASA-N 2 1 302.462 3.264 20 10 DGCDMP CCC[N@@H+]1C[C@H]2CN(Cc3cc(Cl)cc(C)c3O)C[C@H]2C1 ZINC001237690351 1100214190 /nfs/dbraw/zinc/21/41/90/1100214190.db2.gz WIMQTPBLQNMTBX-GASCZTMLSA-N 2 1 308.853 3.128 20 10 DGCDMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)cc(C)c3O)C[C@@H]2C1 ZINC001237690351 1100214193 /nfs/dbraw/zinc/21/41/93/1100214193.db2.gz WIMQTPBLQNMTBX-GASCZTMLSA-N 2 1 308.853 3.128 20 10 DGCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)cc(C)c3O)C[C@@H]2C1 ZINC001237690351 1100214199 /nfs/dbraw/zinc/21/41/99/1100214199.db2.gz WIMQTPBLQNMTBX-GASCZTMLSA-N 2 1 308.853 3.128 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(C)c3O)C[C@@H]2C1 ZINC001237690351 1100214205 /nfs/dbraw/zinc/21/42/05/1100214205.db2.gz WIMQTPBLQNMTBX-GASCZTMLSA-N 2 1 308.853 3.128 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(Cl)cc(C)c3O)C[C@@H]2C1 ZINC001237690351 1100214212 /nfs/dbraw/zinc/21/42/12/1100214212.db2.gz WIMQTPBLQNMTBX-GASCZTMLSA-N 2 1 308.853 3.128 20 10 DGCDMP CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc2c[nH+]cn21 ZINC001238110415 1100364837 /nfs/dbraw/zinc/36/48/37/1100364837.db2.gz OCJFSEJKUJTFNT-UHFFFAOYSA-N 2 1 308.429 3.422 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc2c[nH+]cn21 ZINC001238110415 1100364849 /nfs/dbraw/zinc/36/48/49/1100364849.db2.gz OCJFSEJKUJTFNT-UHFFFAOYSA-N 2 1 308.429 3.422 20 10 DGCDMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001205578498 1100567568 /nfs/dbraw/zinc/56/75/68/1100567568.db2.gz DFLVUKBSWHPDIA-AWEZNQCLSA-N 2 1 320.330 3.064 20 10 DGCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001205578498 1100567573 /nfs/dbraw/zinc/56/75/73/1100567573.db2.gz DFLVUKBSWHPDIA-AWEZNQCLSA-N 2 1 320.330 3.064 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001328401218 1103933690 /nfs/dbraw/zinc/93/36/90/1103933690.db2.gz VAOCBGYWMKKLGY-PMACEKPBSA-N 2 1 313.489 3.393 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001328401218 1103933698 /nfs/dbraw/zinc/93/36/98/1103933698.db2.gz VAOCBGYWMKKLGY-PMACEKPBSA-N 2 1 313.489 3.393 20 10 DGCDMP CCCC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246902303 1104728111 /nfs/dbraw/zinc/72/81/11/1104728111.db2.gz RBNMWMLQLUHKLB-IEBWSBKVSA-N 2 1 303.494 3.495 20 10 DGCDMP CC[C@H]1CC([N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@H](CC)[NH2+]1 ZINC001246901098 1104728844 /nfs/dbraw/zinc/72/88/44/1104728844.db2.gz KMARENHPUWCUSS-IRXDYDNUSA-N 2 1 303.494 3.494 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246902749 1104729223 /nfs/dbraw/zinc/72/92/23/1104729223.db2.gz UHNRDLXRYGCILO-OALUTQOASA-N 2 1 301.478 3.107 20 10 DGCDMP CC[N@@H+](Cc1ccccc1O)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256862229 1106499879 /nfs/dbraw/zinc/49/98/79/1106499879.db2.gz KNLPHGDNMNFYIN-UHFFFAOYSA-N 2 1 311.429 3.278 20 10 DGCDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001261244934 1107370818 /nfs/dbraw/zinc/37/08/18/1107370818.db2.gz JHDQBKQTTZRSOM-HXUWFJFHSA-N 2 1 313.489 3.205 20 10 DGCDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001261244934 1107370832 /nfs/dbraw/zinc/37/08/32/1107370832.db2.gz JHDQBKQTTZRSOM-HXUWFJFHSA-N 2 1 313.489 3.205 20 10 DGCDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001261244934 1107370846 /nfs/dbraw/zinc/37/08/46/1107370846.db2.gz JHDQBKQTTZRSOM-HXUWFJFHSA-N 2 1 313.489 3.205 20 10 DGCDMP CC(C)CC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001308473040 1111432663 /nfs/dbraw/zinc/43/26/63/1111432663.db2.gz WOWGSQWPBCBJEK-UHFFFAOYSA-N 2 1 319.468 3.246 20 10 DGCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093564088 193269685 /nfs/dbraw/zinc/26/96/85/193269685.db2.gz XJSUAPRBOBQQAX-KRWDZBQOSA-N 2 1 318.461 3.241 20 10 DGCDMP CCOc1cccc(C[N@@H+](CC)CCC[NH+]2CCCC2)c1O ZINC000289444426 131387137 /nfs/dbraw/zinc/38/71/37/131387137.db2.gz MGALZHGWFXCBKB-UHFFFAOYSA-N 2 1 306.450 3.099 20 10 DGCDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000124163457 431885079 /nfs/dbraw/zinc/88/50/79/431885079.db2.gz GZIIOLNVNWKHGR-SFHVURJKSA-N 2 1 301.478 3.108 20 10 DGCDMP C[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1n1ccnc1 ZINC000271228100 432358483 /nfs/dbraw/zinc/35/84/83/432358483.db2.gz BFMFKLMMCFFXLN-SWLSCSKDSA-N 2 1 305.809 3.325 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1n1ccnc1 ZINC000271228100 432358486 /nfs/dbraw/zinc/35/84/86/432358486.db2.gz BFMFKLMMCFFXLN-SWLSCSKDSA-N 2 1 305.809 3.325 20 10 DGCDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000185008721 432455818 /nfs/dbraw/zinc/45/58/18/432455818.db2.gz NWSRJKDGIGHPDV-OAHLLOKOSA-N 2 1 316.445 3.164 20 10 DGCDMP C[C@H]([NH2+]Cc1ccccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272183378 432458323 /nfs/dbraw/zinc/45/83/23/432458323.db2.gz KNSVTZPQIHCRBO-LPHOPBHVSA-N 2 1 310.441 3.392 20 10 DGCDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215589 432724755 /nfs/dbraw/zinc/72/47/55/432724755.db2.gz BTQBJKINLQTVMY-XLIONFOSSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215589 432724756 /nfs/dbraw/zinc/72/47/56/432724756.db2.gz BTQBJKINLQTVMY-XLIONFOSSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215589 432724760 /nfs/dbraw/zinc/72/47/60/432724760.db2.gz BTQBJKINLQTVMY-XLIONFOSSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215589 432724762 /nfs/dbraw/zinc/72/47/62/432724762.db2.gz BTQBJKINLQTVMY-XLIONFOSSA-N 2 1 315.505 3.449 20 10 DGCDMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000373228797 433137356 /nfs/dbraw/zinc/13/73/56/433137356.db2.gz NDMJGQZWMGCKMN-LLVKDONJSA-N 2 1 323.799 3.298 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000299708654 433376284 /nfs/dbraw/zinc/37/62/84/433376284.db2.gz OHOVFZLLFBJEQH-UHFFFAOYSA-N 2 1 302.462 3.459 20 10 DGCDMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293807292 433875864 /nfs/dbraw/zinc/87/58/64/433875864.db2.gz RJJIYEZSOMRZKV-INIZCTEOSA-N 2 1 320.477 3.161 20 10 DGCDMP Cc1ccc(O)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000733324685 574615696 /nfs/dbraw/zinc/61/56/96/574615696.db2.gz SSBNMMUTDIRFJF-UHFFFAOYSA-N 2 1 324.468 3.497 20 10 DGCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(O)ccc3ccncc32)C1 ZINC000743390695 575049354 /nfs/dbraw/zinc/04/93/54/575049354.db2.gz UXHXSQQJRSACNW-OAHLLOKOSA-N 2 1 313.445 3.104 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000743390695 575049359 /nfs/dbraw/zinc/04/93/59/575049359.db2.gz UXHXSQQJRSACNW-OAHLLOKOSA-N 2 1 313.445 3.104 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000743390695 575049361 /nfs/dbraw/zinc/04/93/61/575049361.db2.gz UXHXSQQJRSACNW-OAHLLOKOSA-N 2 1 313.445 3.104 20 10 DGCDMP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C(F)(F)F)cc1O ZINC000854226257 620785492 /nfs/dbraw/zinc/78/54/92/620785492.db2.gz GMGBSEVKXQXUCL-VROQLPPWSA-N 2 1 314.351 3.204 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841086255 620220995 /nfs/dbraw/zinc/22/09/95/620220995.db2.gz GRTMPRZDJRSMQZ-APWZRJJASA-N 2 1 301.478 3.025 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858100267 621152780 /nfs/dbraw/zinc/15/27/80/621152780.db2.gz ASVBPFQGIUDRQR-KRWDZBQOSA-N 2 1 303.494 3.495 20 10 DGCDMP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756422733 621637774 /nfs/dbraw/zinc/63/77/74/621637774.db2.gz NLWKZURQECCJSI-XHSDSOJGSA-N 2 1 320.477 3.419 20 10 DGCDMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756434009 621638115 /nfs/dbraw/zinc/63/81/15/621638115.db2.gz SWALXXVXFWHSDJ-BXUZGUMPSA-N 2 1 303.381 3.264 20 10 DGCDMP CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1O ZINC000769470049 622530623 /nfs/dbraw/zinc/53/06/23/622530623.db2.gz JIDRSGLZVGVYHW-GOEBONIOSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1O ZINC000769470049 622530624 /nfs/dbraw/zinc/53/06/24/622530624.db2.gz JIDRSGLZVGVYHW-GOEBONIOSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1O ZINC000769470049 622530626 /nfs/dbraw/zinc/53/06/26/622530626.db2.gz JIDRSGLZVGVYHW-GOEBONIOSA-N 2 1 306.450 3.096 20 10 DGCDMP CN(C)c1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC000769482942 622532416 /nfs/dbraw/zinc/53/24/16/622532416.db2.gz LSLZIQLOPWTGAU-INIZCTEOSA-N 2 1 307.457 3.198 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC000769482942 622532418 /nfs/dbraw/zinc/53/24/18/622532418.db2.gz LSLZIQLOPWTGAU-INIZCTEOSA-N 2 1 307.457 3.198 20 10 DGCDMP CN(C)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000769482942 622532419 /nfs/dbraw/zinc/53/24/19/622532419.db2.gz LSLZIQLOPWTGAU-INIZCTEOSA-N 2 1 307.457 3.198 20 10 DGCDMP CN(C)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000769482942 622532420 /nfs/dbraw/zinc/53/24/20/622532420.db2.gz LSLZIQLOPWTGAU-INIZCTEOSA-N 2 1 307.457 3.198 20 10 DGCDMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(O)c1 ZINC000769498105 622534123 /nfs/dbraw/zinc/53/41/23/622534123.db2.gz GGQSIANSDCMKSL-INIZCTEOSA-N 2 1 318.461 3.099 20 10 DGCDMP C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775649397 623303131 /nfs/dbraw/zinc/30/31/31/623303131.db2.gz QXLBPWLPOXOHJF-FXAWDEMLSA-N 2 1 315.505 3.449 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C1CC1)C1CC1 ZINC000775668445 623309427 /nfs/dbraw/zinc/30/94/27/623309427.db2.gz ZVFNMUXJXPSOID-UHFFFAOYSA-N 2 1 313.489 3.059 20 10 DGCDMP C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775702750 623315637 /nfs/dbraw/zinc/31/56/37/623315637.db2.gz WLTHQWKBLWLTPL-DLBZAZTESA-N 2 1 301.478 3.059 20 10 DGCDMP CSCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775715118 623318604 /nfs/dbraw/zinc/31/86/04/623318604.db2.gz WMYZXYSIRGDCTH-MRXNPFEDSA-N 2 1 321.534 3.012 20 10 DGCDMP CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775998183 623362421 /nfs/dbraw/zinc/36/24/21/623362421.db2.gz DSLQLOWRMGPSCY-VQIMIIECSA-N 2 1 301.478 3.059 20 10 DGCDMP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000877674216 623987135 /nfs/dbraw/zinc/98/71/35/623987135.db2.gz OCVAQTUFIVPNEY-UHFFFAOYSA-N 2 1 318.461 3.241 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000796772265 626081128 /nfs/dbraw/zinc/08/11/28/626081128.db2.gz PQWIAKNWJBEUHB-OTWHNJEPSA-N 2 1 301.478 3.023 20 10 DGCDMP CCOc1ccc(O)c(C[N@@H+](CC)CCC[NH+]2CCCC2)c1 ZINC000809749866 626946493 /nfs/dbraw/zinc/94/64/93/626946493.db2.gz LHPIWXSFTXOQLU-UHFFFAOYSA-N 2 1 306.450 3.099 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000809767351 626948705 /nfs/dbraw/zinc/94/87/05/626948705.db2.gz INHYXCFYTYQDRW-AZUAARDMSA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000809767351 626948708 /nfs/dbraw/zinc/94/87/08/626948708.db2.gz INHYXCFYTYQDRW-AZUAARDMSA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000809767351 626948712 /nfs/dbraw/zinc/94/87/12/626948712.db2.gz INHYXCFYTYQDRW-AZUAARDMSA-N 2 1 315.505 3.449 20 10 DGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610833 627814622 /nfs/dbraw/zinc/81/46/22/627814622.db2.gz ANQJRHGSWUUXHS-UHFFFAOYSA-N 2 1 302.821 3.348 20 10 DGCDMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000817953760 627972966 /nfs/dbraw/zinc/97/29/66/627972966.db2.gz QPHMZUOBZOHNJS-NSHDSACASA-N 2 1 304.356 3.450 20 10 DGCDMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817969544 627978882 /nfs/dbraw/zinc/97/88/82/627978882.db2.gz WSGMVWNDQCZSCG-GHMZBOCLSA-N 2 1 302.340 3.204 20 10 DGCDMP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Cl)c(Cl)cc1O ZINC000817976171 627980632 /nfs/dbraw/zinc/98/06/32/627980632.db2.gz HODSDBSNEWQVHC-XPTSAGLGSA-N 2 1 315.244 3.492 20 10 DGCDMP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Cl)c(Cl)cc1O ZINC000817976173 627980769 /nfs/dbraw/zinc/98/07/69/627980769.db2.gz HODSDBSNEWQVHC-YMTOWFKASA-N 2 1 315.244 3.492 20 10 DGCDMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2c1c(F)ccc2O ZINC000834891802 629799176 /nfs/dbraw/zinc/79/91/76/629799176.db2.gz JLWKUFLMGFCRAN-JBMNRGHBSA-N 2 1 304.409 3.294 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000835026449 629827766 /nfs/dbraw/zinc/82/77/66/629827766.db2.gz WSOWXFMZEVLPMY-FZMUQLTDSA-N 2 1 301.478 3.039 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000835026449 629827773 /nfs/dbraw/zinc/82/77/73/629827773.db2.gz WSOWXFMZEVLPMY-FZMUQLTDSA-N 2 1 301.478 3.039 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000835026449 629827775 /nfs/dbraw/zinc/82/77/75/629827775.db2.gz WSOWXFMZEVLPMY-FZMUQLTDSA-N 2 1 301.478 3.039 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000835026449 629827784 /nfs/dbraw/zinc/82/77/84/629827784.db2.gz WSOWXFMZEVLPMY-FZMUQLTDSA-N 2 1 301.478 3.039 20 10 DGCDMP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835026225 629828418 /nfs/dbraw/zinc/82/84/18/629828418.db2.gz QODGNLHRLPRZRS-UCFODXPJSA-N 2 1 315.505 3.430 20 10 DGCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835026225 629828423 /nfs/dbraw/zinc/82/84/23/629828423.db2.gz QODGNLHRLPRZRS-UCFODXPJSA-N 2 1 315.505 3.430 20 10 DGCDMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027159 629828958 /nfs/dbraw/zinc/82/89/58/629828958.db2.gz BOPKRLAASPNWRN-MJRGOJFPSA-N 2 1 301.478 3.039 20 10 DGCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027159 629828964 /nfs/dbraw/zinc/82/89/64/629828964.db2.gz BOPKRLAASPNWRN-MJRGOJFPSA-N 2 1 301.478 3.039 20 10 DGCDMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027159 629828966 /nfs/dbraw/zinc/82/89/66/629828966.db2.gz BOPKRLAASPNWRN-MJRGOJFPSA-N 2 1 301.478 3.039 20 10 DGCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027159 629828970 /nfs/dbraw/zinc/82/89/70/629828970.db2.gz BOPKRLAASPNWRN-MJRGOJFPSA-N 2 1 301.478 3.039 20 10 DGCDMP CCC[N@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835034565 629830728 /nfs/dbraw/zinc/83/07/28/629830728.db2.gz BLNSVELDHAVOJA-QWNKOJSDSA-N 2 1 301.478 3.087 20 10 DGCDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835038584 629831146 /nfs/dbraw/zinc/83/11/46/629831146.db2.gz UBTQVEJJWAEVGR-XZXOBPBMSA-N 2 1 315.505 3.476 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000835055198 629838611 /nfs/dbraw/zinc/83/86/11/629838611.db2.gz WTVSNQAUBDQFMH-SREVYHEPSA-N 2 1 313.489 3.372 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000841039399 630400747 /nfs/dbraw/zinc/40/07/47/630400747.db2.gz NLVOZRPHMKQYNE-LIXSYLKWSA-N 2 1 301.478 3.263 20 10 DGCDMP [NH3+]C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000841087785 630406739 /nfs/dbraw/zinc/40/67/39/630406739.db2.gz PJQIPVKCFCRURC-IBGZPJMESA-N 2 1 301.478 3.284 20 10 DGCDMP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000842767215 630573708 /nfs/dbraw/zinc/57/37/08/630573708.db2.gz YYEWLOJXQIXIKK-MOPGFXCFSA-N 2 1 310.441 3.136 20 10 DGCDMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1O ZINC000842922002 630593546 /nfs/dbraw/zinc/59/35/46/630593546.db2.gz ULWUNGSJXZFXSK-SUMDDJOVSA-N 2 1 310.441 3.388 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843043927 630607844 /nfs/dbraw/zinc/60/78/44/630607844.db2.gz DCBWPCBMTLGFBX-MJGOQNOKSA-N 2 1 301.478 3.025 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1O ZINC000843046034 630608327 /nfs/dbraw/zinc/60/83/27/630608327.db2.gz SVEAFAOLWJJPQA-CJNGLKHVSA-N 2 1 308.853 3.318 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])c(C(F)(F)F)c1 ZINC000843055929 630609524 /nfs/dbraw/zinc/60/95/24/630609524.db2.gz ANZRPWNAVLIJFQ-UHFFFAOYSA-N 2 1 317.399 3.188 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000843057392 630609607 /nfs/dbraw/zinc/60/96/07/630609607.db2.gz CXGVBKWHQQDRJB-YTQUADARSA-N 2 1 301.478 3.092 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000843059465 630609900 /nfs/dbraw/zinc/60/99/00/630609900.db2.gz MJEKQJDJYMJBLS-IBGZPJMESA-N 2 1 301.478 3.108 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843116858 630615210 /nfs/dbraw/zinc/61/52/10/630615210.db2.gz MWLAJRPAXKMLPY-FQEVSTJZSA-N 2 1 313.489 3.252 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000843123696 630615774 /nfs/dbraw/zinc/61/57/74/630615774.db2.gz NRRQBBDVHAHOKX-IBGZPJMESA-N 2 1 301.478 3.108 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000843125222 630616608 /nfs/dbraw/zinc/61/66/08/630616608.db2.gz OKYAZNJCUAGJPP-KGJVCODVSA-N 2 1 313.489 3.087 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000843128283 630617119 /nfs/dbraw/zinc/61/71/19/630617119.db2.gz VQNBZNBQIBCDCR-IAGOWNOFSA-N 2 1 302.462 3.221 20 10 DGCDMP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1O ZINC000846143236 631211854 /nfs/dbraw/zinc/21/18/54/631211854.db2.gz CWAYKMOVKWXOHJ-HUUCEWRRSA-N 2 1 306.450 3.172 20 10 DGCDMP CN(C)c1ccc(C[N@H+](CCCc2c[nH+]cn2C)C2CC2)cc1 ZINC000846775863 631302440 /nfs/dbraw/zinc/30/24/40/631302440.db2.gz DDYPXUTWXCSRIJ-UHFFFAOYSA-N 2 1 312.461 3.083 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](CCCc2c[nH+]cn2C)C2CC2)cc1 ZINC000846775863 631302445 /nfs/dbraw/zinc/30/24/45/631302445.db2.gz DDYPXUTWXCSRIJ-UHFFFAOYSA-N 2 1 312.461 3.083 20 10 DGCDMP CN(C)c1ccc(C[NH2+]CC2([NH3+])CCCC2)c(C(F)(F)F)c1 ZINC000849349611 631900705 /nfs/dbraw/zinc/90/07/05/631900705.db2.gz CMSKGMFQWGTNMB-UHFFFAOYSA-N 2 1 315.383 3.133 20 10 DGCDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000160453810 655636241 /nfs/dbraw/zinc/63/62/41/655636241.db2.gz JUGXUYLLKPDOGL-MJGOQNOKSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000160453810 655636242 /nfs/dbraw/zinc/63/62/42/655636242.db2.gz JUGXUYLLKPDOGL-MJGOQNOKSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000160453810 655636244 /nfs/dbraw/zinc/63/62/44/655636244.db2.gz JUGXUYLLKPDOGL-MJGOQNOKSA-N 2 1 314.473 3.187 20 10 DGCDMP C[N@@H+](CCC[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000237089755 657090715 /nfs/dbraw/zinc/09/07/15/657090715.db2.gz YSOLHAVCSOZJOP-UHFFFAOYSA-N 2 1 310.441 3.233 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000093089309 662344028 /nfs/dbraw/zinc/34/40/28/662344028.db2.gz KBPFARQPLVEFCP-UHFFFAOYSA-N 2 1 303.494 3.306 20 10 DGCDMP Cc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)ccc1N1CCCCC1 ZINC001579598290 1191981818 /nfs/dbraw/zinc/98/18/18/1191981818.db2.gz NKRYDZIENSQIGM-QGZVFWFLSA-N 2 1 301.478 3.156 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001356057023 1181132736 /nfs/dbraw/zinc/13/27/36/1181132736.db2.gz LCIQFEAHTVFNBO-BQFCYCMXSA-N 2 1 302.462 3.171 20 10 DGCDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC001461365888 1182799434 /nfs/dbraw/zinc/79/94/34/1182799434.db2.gz UEPIKBJZJSRQHS-QGZVFWFLSA-N 2 1 321.484 3.349 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC(C)(C)C)cc2F)CC1 ZINC001620717042 1193794355 /nfs/dbraw/zinc/79/43/55/1193794355.db2.gz LBGUPEMDUWOVSR-UHFFFAOYSA-N 2 1 307.457 3.103 20 10 DGCDMP COc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001659420802 1196381392 /nfs/dbraw/zinc/38/13/92/1196381392.db2.gz PWPGXIOAUWZQCG-GJZGRUSLSA-N 2 1 318.461 3.143 20 10 DGCDMP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001661507927 1196613717 /nfs/dbraw/zinc/61/37/17/1196613717.db2.gz UXIALTBEZYMTQL-CABCVRRESA-N 2 1 307.457 3.102 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001204735436 1091025634 /nfs/dbraw/zinc/02/56/34/1091025634.db2.gz VBMIVEKERZZAAT-UHFFFAOYSA-N 2 1 321.896 3.372 20 10 DGCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001205287713 1091166026 /nfs/dbraw/zinc/16/60/26/1091166026.db2.gz BBTOGILWCZQKOX-AWEZNQCLSA-N 2 1 302.340 3.114 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@@H]1C[NH3+] ZINC001205296194 1091169797 /nfs/dbraw/zinc/16/97/97/1091169797.db2.gz IRBFHQLHAHWXCU-RDJZCZTQSA-N 2 1 311.473 3.323 20 10 DGCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001205558099 1091251300 /nfs/dbraw/zinc/25/13/00/1091251300.db2.gz BTUUBOHMXRPGGY-LJQANCHMSA-N 2 1 319.468 3.330 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c(O)c1 ZINC001205627408 1091285918 /nfs/dbraw/zinc/28/59/18/1091285918.db2.gz PIDHDNYEJWLQKQ-JKSUJKDBSA-N 2 1 319.493 3.045 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1 ZINC001205786772 1091348344 /nfs/dbraw/zinc/34/83/44/1091348344.db2.gz BGCCMPUNSYBVFW-CQSZACIVSA-N 2 1 312.404 3.106 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CCC[C@@H]1C[NH3+] ZINC001206026841 1091457689 /nfs/dbraw/zinc/45/76/89/1091457689.db2.gz UIDLYTIBRZSFHV-VXGBXAGGSA-N 2 1 316.367 3.218 20 10 DGCDMP COc1cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256270 1091502038 /nfs/dbraw/zinc/50/20/38/1091502038.db2.gz XQHFRXTVWKBAQT-HZPDHXFCSA-N 2 1 318.461 3.084 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139257220 1091502541 /nfs/dbraw/zinc/50/25/41/1091502541.db2.gz UYALSHPBQZTSIZ-KGLIPLIRSA-N 2 1 306.450 3.083 20 10 DGCDMP Cc1c(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c2ccccc2n1C ZINC001206344640 1091586933 /nfs/dbraw/zinc/58/69/33/1091586933.db2.gz VKWRDUJFRVFPEK-SFHVURJKSA-N 2 1 303.425 3.140 20 10 DGCDMP Cc1c(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c2ccccc2n1C ZINC001206344640 1091586940 /nfs/dbraw/zinc/58/69/40/1091586940.db2.gz VKWRDUJFRVFPEK-SFHVURJKSA-N 2 1 303.425 3.140 20 10 DGCDMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001206362731 1091600259 /nfs/dbraw/zinc/60/02/59/1091600259.db2.gz QEBOKJSCROCIJU-SFHVURJKSA-N 2 1 302.393 3.198 20 10 DGCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001206541888 1091662375 /nfs/dbraw/zinc/66/23/75/1091662375.db2.gz MPZUGKFFDSHOED-IBGZPJMESA-N 2 1 301.478 3.238 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(O)c1 ZINC001140854783 1092031515 /nfs/dbraw/zinc/03/15/15/1092031515.db2.gz AMHIQTDCMXAJHR-UHFFFAOYSA-N 2 1 319.493 3.012 20 10 DGCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143111880 1092616093 /nfs/dbraw/zinc/61/60/93/1092616093.db2.gz HJIWCTRVPLPZIC-IBGZPJMESA-N 2 1 302.462 3.217 20 10 DGCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143111880 1092616096 /nfs/dbraw/zinc/61/60/96/1092616096.db2.gz HJIWCTRVPLPZIC-IBGZPJMESA-N 2 1 302.462 3.217 20 10 DGCDMP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(N(C)C)cc1 ZINC001209452690 1092780465 /nfs/dbraw/zinc/78/04/65/1092780465.db2.gz RSJIAXUAUUYIRJ-UHFFFAOYSA-N 2 1 303.494 3.451 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1O ZINC000404315964 1094254211 /nfs/dbraw/zinc/25/42/11/1094254211.db2.gz OEYNQWIIOGITND-FZMZJTMJSA-N 2 1 312.841 3.004 20 10 DGCDMP CCc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1O ZINC001336888806 1094774303 /nfs/dbraw/zinc/77/43/03/1094774303.db2.gz MKOHYARODVEMEL-CGTJXYLNSA-N 2 1 302.462 3.117 20 10 DGCDMP CC(C)CC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116017132 1095436583 /nfs/dbraw/zinc/43/65/83/1095436583.db2.gz HKBXLCWRVQQGDA-INIZCTEOSA-N 2 1 321.484 3.492 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237473 1095505047 /nfs/dbraw/zinc/50/50/47/1095505047.db2.gz KUBGJSSYSCUXQC-LJQANCHMSA-N 2 1 301.478 3.251 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222237473 1095505052 /nfs/dbraw/zinc/50/50/52/1095505052.db2.gz KUBGJSSYSCUXQC-LJQANCHMSA-N 2 1 301.478 3.251 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222244077 1095507364 /nfs/dbraw/zinc/50/73/64/1095507364.db2.gz SONIADIVNUZOLG-HXUWFJFHSA-N 2 1 313.489 3.395 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222244077 1095507371 /nfs/dbraw/zinc/50/73/71/1095507371.db2.gz SONIADIVNUZOLG-HXUWFJFHSA-N 2 1 313.489 3.395 20 10 DGCDMP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222253411 1095513237 /nfs/dbraw/zinc/51/32/37/1095513237.db2.gz OTZVYWOZNUHDEJ-LJQANCHMSA-N 2 1 302.462 3.408 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c(O)c1 ZINC001222253411 1095513247 /nfs/dbraw/zinc/51/32/47/1095513247.db2.gz OTZVYWOZNUHDEJ-LJQANCHMSA-N 2 1 302.462 3.408 20 10 DGCDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CC1 ZINC001116327006 1095516791 /nfs/dbraw/zinc/51/67/91/1095516791.db2.gz HYCKGRFJXCXTRD-UHFFFAOYSA-N 2 1 319.468 3.200 20 10 DGCDMP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CC1 ZINC001116327006 1095516797 /nfs/dbraw/zinc/51/67/97/1095516797.db2.gz HYCKGRFJXCXTRD-UHFFFAOYSA-N 2 1 319.468 3.200 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c2ccccc21 ZINC001222620265 1095695023 /nfs/dbraw/zinc/69/50/23/1095695023.db2.gz JZUXGXPOOUBCQV-HNAYVOBHSA-N 2 1 309.457 3.090 20 10 DGCDMP CN(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2ccccc21 ZINC001222623116 1095697992 /nfs/dbraw/zinc/69/79/92/1095697992.db2.gz AHZDDAQYBQGTEU-CALCHBBNSA-N 2 1 323.484 3.337 20 10 DGCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233286997 1098276355 /nfs/dbraw/zinc/27/63/55/1098276355.db2.gz RKGRSZFAVUMGSZ-VQIMIIECSA-N 2 1 302.462 3.073 20 10 DGCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233286997 1098276360 /nfs/dbraw/zinc/27/63/60/1098276360.db2.gz RKGRSZFAVUMGSZ-VQIMIIECSA-N 2 1 302.462 3.073 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206311851 1098664299 /nfs/dbraw/zinc/66/42/99/1098664299.db2.gz VXVKUOTVPSRGTG-KRWDZBQOSA-N 2 1 309.885 3.357 20 10 DGCDMP Oc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235157982 1098843876 /nfs/dbraw/zinc/84/38/76/1098843876.db2.gz SWASZJGZKQUGQT-INIZCTEOSA-N 2 1 308.853 3.400 20 10 DGCDMP Cc1ccc(O)c(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c1 ZINC001235251424 1098924739 /nfs/dbraw/zinc/92/47/39/1098924739.db2.gz RUMVPXBXQBJRKU-TZIWHRDSSA-N 2 1 322.452 3.422 20 10 DGCDMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1O ZINC001235428663 1099021817 /nfs/dbraw/zinc/02/18/17/1099021817.db2.gz OSGWSZSAGPOJDG-IAGOWNOFSA-N 2 1 302.462 3.221 20 10 DGCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001235868917 1099227444 /nfs/dbraw/zinc/22/74/44/1099227444.db2.gz WRFXXROJOIWPCC-ICSRJNTNSA-N 2 1 313.489 3.251 20 10 DGCDMP CCC[N@H+](Cc1ccc(N(C)C)cc1Cl)C1CC[NH2+]CC1 ZINC001236182304 1099452667 /nfs/dbraw/zinc/45/26/67/1099452667.db2.gz JSBHJQZUBPIARX-UHFFFAOYSA-N 2 1 309.885 3.370 20 10 DGCDMP CCC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C1CC[NH2+]CC1 ZINC001236182304 1099452676 /nfs/dbraw/zinc/45/26/76/1099452676.db2.gz JSBHJQZUBPIARX-UHFFFAOYSA-N 2 1 309.885 3.370 20 10 DGCDMP CC(C)(C)c1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1O ZINC001236321108 1099534019 /nfs/dbraw/zinc/53/40/19/1099534019.db2.gz WERVNPUBIZQTGJ-GASCZTMLSA-N 2 1 302.462 3.121 20 10 DGCDMP Oc1ccc(Cl)c(Cl)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320516 1099534566 /nfs/dbraw/zinc/53/45/66/1099534566.db2.gz IBTJDCXXAZJYIO-PHIMTYICSA-N 2 1 315.244 3.130 20 10 DGCDMP Oc1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320516 1099534577 /nfs/dbraw/zinc/53/45/77/1099534577.db2.gz IBTJDCXXAZJYIO-PHIMTYICSA-N 2 1 315.244 3.130 20 10 DGCDMP COc1cc(C)c(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(O)c1 ZINC001236459556 1099623513 /nfs/dbraw/zinc/62/35/13/1099623513.db2.gz UXHBMEYJCDJYOB-UHFFFAOYSA-N 2 1 320.477 3.309 20 10 DGCDMP Cc1cc(F)cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236664371 1099732195 /nfs/dbraw/zinc/73/21/95/1099732195.db2.gz SDVQKDZATGMCFL-QGZVFWFLSA-N 2 1 306.425 3.336 20 10 DGCDMP Cc1cc(F)cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236664371 1099732202 /nfs/dbraw/zinc/73/22/02/1099732202.db2.gz SDVQKDZATGMCFL-QGZVFWFLSA-N 2 1 306.425 3.336 20 10 DGCDMP CCOc1ccc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236665376 1099732291 /nfs/dbraw/zinc/73/22/91/1099732291.db2.gz VNSCHUOCACPLDP-QGZVFWFLSA-N 2 1 318.461 3.288 20 10 DGCDMP CCOc1ccc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236665376 1099732300 /nfs/dbraw/zinc/73/23/00/1099732300.db2.gz VNSCHUOCACPLDP-QGZVFWFLSA-N 2 1 318.461 3.288 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC001236818143 1099805076 /nfs/dbraw/zinc/80/50/76/1099805076.db2.gz GLLCHMVSBBEHQO-IHPCNDPISA-N 2 1 309.457 3.263 20 10 DGCDMP CCC[N@H+](Cc1ccc(N(CC)CC)cc1O)C[C@H]1CC[NH2+]C1 ZINC001236834887 1099821696 /nfs/dbraw/zinc/82/16/96/1099821696.db2.gz JJESCNFCOHPFDM-INIZCTEOSA-N 2 1 319.493 3.060 20 10 DGCDMP CCC[N@H+](Cc1ccc(N(CC)CC)cc1)C[C@H]1CC[NH2+]C1 ZINC001236835376 1099821791 /nfs/dbraw/zinc/82/17/91/1099821791.db2.gz MKADTBBCCGSOCJ-SFHVURJKSA-N 2 1 303.494 3.354 20 10 DGCDMP CCC[N@@H+](Cc1cc(F)c(Cl)cc1O)C[C@H]1CC[NH2+]C1 ZINC001236843273 1099828386 /nfs/dbraw/zinc/82/83/86/1099828386.db2.gz MPWHWPYYUQBRDD-NSHDSACASA-N 2 1 300.805 3.006 20 10 DGCDMP CCC[N@H+](Cc1cc(F)c(Cl)cc1O)C[C@H]1CC[NH2+]C1 ZINC001236843273 1099828399 /nfs/dbraw/zinc/82/83/99/1099828399.db2.gz MPWHWPYYUQBRDD-NSHDSACASA-N 2 1 300.805 3.006 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)CC(C)(C)C ZINC001236939521 1099881508 /nfs/dbraw/zinc/88/15/08/1099881508.db2.gz RVZMSRFIZDYFDE-UHFFFAOYSA-N 2 1 307.457 3.055 20 10 DGCDMP CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236941529 1099883371 /nfs/dbraw/zinc/88/33/71/1099883371.db2.gz CHQXFCNTWYQXLN-IBGZPJMESA-N 2 1 319.468 3.198 20 10 DGCDMP Oc1cccc(F)c1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236947336 1099886012 /nfs/dbraw/zinc/88/60/12/1099886012.db2.gz JYUOZPXLMCVJSI-UHFFFAOYSA-N 2 1 306.425 3.133 20 10 DGCDMP CCC[NH+]1C[C@H]2C[NH+](Cc3cc(Cl)cc(C)c3O)C[C@@H]2C1 ZINC001237690354 1100214041 /nfs/dbraw/zinc/21/40/41/1100214041.db2.gz WIMQTPBLQNMTBX-GJZGRUSLSA-N 2 1 308.853 3.128 20 10 DGCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@@H]1CC[NH3+] ZINC001326465726 1103328086 /nfs/dbraw/zinc/32/80/86/1103328086.db2.gz WIIKHYJAHVXZDP-QFBILLFUSA-N 2 1 301.478 3.236 20 10 DGCDMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)C1 ZINC001275267397 1104697630 /nfs/dbraw/zinc/69/76/30/1104697630.db2.gz MZWRVOQCJJOHFD-UHFFFAOYSA-N 2 1 308.853 3.353 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1 ZINC001246901891 1104728577 /nfs/dbraw/zinc/72/85/77/1104728577.db2.gz PMJIIQJEUOCMFD-ROUUACIJSA-N 2 1 303.494 3.351 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)ccc1N(C)C ZINC001275360699 1104736376 /nfs/dbraw/zinc/73/63/76/1104736376.db2.gz HHAWHTYDILOTGQ-FQEVSTJZSA-N 2 1 315.505 3.369 20 10 DGCDMP CCC[C@@H](C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320490057 1107023715 /nfs/dbraw/zinc/02/37/15/1107023715.db2.gz JRABPPVGIUCUOS-OAHLLOKOSA-N 2 1 307.457 3.198 20 10 DGCDMP CCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320490057 1107023732 /nfs/dbraw/zinc/02/37/32/1107023732.db2.gz JRABPPVGIUCUOS-OAHLLOKOSA-N 2 1 307.457 3.198 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001319717060 1108608120 /nfs/dbraw/zinc/60/81/20/1108608120.db2.gz KGKAYNOIMZDCOT-PXNSSMCTSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001319717060 1108608126 /nfs/dbraw/zinc/60/81/26/1108608126.db2.gz KGKAYNOIMZDCOT-PXNSSMCTSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001319717060 1108608131 /nfs/dbraw/zinc/60/81/31/1108608131.db2.gz KGKAYNOIMZDCOT-PXNSSMCTSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC000273540851 130134012 /nfs/dbraw/zinc/13/40/12/130134012.db2.gz YEEQBFZEOOFPII-AWEZNQCLSA-N 2 1 300.446 3.184 20 10 DGCDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177974491 228336096 /nfs/dbraw/zinc/33/60/96/228336096.db2.gz JPAVXLSUMFIYAD-JTDSTZFVSA-N 2 1 301.478 3.105 20 10 DGCDMP CC(C)CN1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000191196928 432233953 /nfs/dbraw/zinc/23/39/53/432233953.db2.gz BSACKPCYWVSUJJ-GFCCVEGCSA-N 2 1 312.404 3.441 20 10 DGCDMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000119685877 431713568 /nfs/dbraw/zinc/71/35/68/431713568.db2.gz PCMBERQPANZTSO-LJQANCHMSA-N 2 1 301.478 3.420 20 10 DGCDMP Cc1[nH+]ccn1CC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000270782723 432288755 /nfs/dbraw/zinc/28/87/55/432288755.db2.gz ANRXDPNRSHXUBJ-UHFFFAOYSA-N 2 1 300.450 3.168 20 10 DGCDMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000270782723 432288759 /nfs/dbraw/zinc/28/87/59/432288759.db2.gz ANRXDPNRSHXUBJ-UHFFFAOYSA-N 2 1 300.450 3.168 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@@H]1n1ccnc1 ZINC000191442906 432265652 /nfs/dbraw/zinc/26/56/52/432265652.db2.gz SJPKRNAHUGEQES-RISCZKNCSA-N 2 1 323.799 3.464 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)CCCn2ccnc2)cc1 ZINC000271985513 432432786 /nfs/dbraw/zinc/43/27/86/432432786.db2.gz PDLZOBDAXJUTGW-UHFFFAOYSA-N 2 1 300.450 3.251 20 10 DGCDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296954262 432942311 /nfs/dbraw/zinc/94/23/11/432942311.db2.gz QWOXWCUVQFUNJB-RDJZCZTQSA-N 2 1 302.462 3.337 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(O)c1 ZINC000290400439 433046146 /nfs/dbraw/zinc/04/61/46/433046146.db2.gz JJUAJSPHJCFYOK-CRAIPNDOSA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(O)c1 ZINC000290400439 433046150 /nfs/dbraw/zinc/04/61/50/433046150.db2.gz JJUAJSPHJCFYOK-CRAIPNDOSA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(O)c1 ZINC000290400439 433046154 /nfs/dbraw/zinc/04/61/54/433046154.db2.gz JJUAJSPHJCFYOK-CRAIPNDOSA-N 2 1 318.461 3.097 20 10 DGCDMP COc1ccc(O)c(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000237204110 524750590 /nfs/dbraw/zinc/75/05/90/524750590.db2.gz LAEBECAYDJZUHC-UHFFFAOYSA-N 2 1 314.429 3.013 20 10 DGCDMP COc1ccc(O)c(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000237204110 524750598 /nfs/dbraw/zinc/75/05/98/524750598.db2.gz LAEBECAYDJZUHC-UHFFFAOYSA-N 2 1 314.429 3.013 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000740003946 574917984 /nfs/dbraw/zinc/91/79/84/574917984.db2.gz DTVWEKWOXPOSFW-IRXDYDNUSA-N 2 1 319.468 3.388 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000740003946 574917986 /nfs/dbraw/zinc/91/79/86/574917986.db2.gz DTVWEKWOXPOSFW-IRXDYDNUSA-N 2 1 319.468 3.388 20 10 DGCDMP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(O)c1 ZINC000853239281 620680909 /nfs/dbraw/zinc/68/09/09/620680909.db2.gz DHWZJFUJTWHIMY-DOTOQJQBSA-N 2 1 302.462 3.473 20 10 DGCDMP CCOc1cccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1O ZINC000895684164 618818527 /nfs/dbraw/zinc/81/85/27/618818527.db2.gz AKGFTLFKYGXOKR-UHFFFAOYSA-N 2 1 320.477 3.489 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000841004141 619148438 /nfs/dbraw/zinc/14/84/38/619148438.db2.gz MQZJWIZUXTXGJJ-FUHWJXTLSA-N 2 1 303.494 3.353 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC2)cc1 ZINC000903880586 619827743 /nfs/dbraw/zinc/82/77/43/619827743.db2.gz UVPCFVIOPDLTRX-AYHJJNSGSA-N 2 1 313.489 3.248 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C[C@]2(C)CCC[NH2+]C2)C2CC2)cc1 ZINC000904307722 619911641 /nfs/dbraw/zinc/91/16/41/619911641.db2.gz VIHKIERGRDEDFK-LJQANCHMSA-N 2 1 301.478 3.107 20 10 DGCDMP Oc1c(F)cccc1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416526 619921044 /nfs/dbraw/zinc/92/10/44/619921044.db2.gz NPSPZTIIOMWALC-CQSZACIVSA-N 2 1 306.425 3.133 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1N(C)C ZINC000923327620 621176600 /nfs/dbraw/zinc/17/66/00/621176600.db2.gz DWEFTRFJKUNNKB-QZTJIDSGSA-N 2 1 301.478 3.025 20 10 DGCDMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2c1c(F)ccc2O ZINC000756402612 621635489 /nfs/dbraw/zinc/63/54/89/621635489.db2.gz VXDCMCHNEQGYNF-LALPHHSUSA-N 2 1 304.409 3.154 20 10 DGCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768304493 622449264 /nfs/dbraw/zinc/44/92/64/622449264.db2.gz YOXUWMILMHYHQR-UHFFFAOYSA-N 2 1 320.477 3.345 20 10 DGCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CCCC2 ZINC000768446961 622456714 /nfs/dbraw/zinc/45/67/14/622456714.db2.gz PRTKPRRZNFRBHA-INIZCTEOSA-N 2 1 314.473 3.189 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000768546297 622463802 /nfs/dbraw/zinc/46/38/02/622463802.db2.gz IIHHNFLCIZKFQL-IBGZPJMESA-N 2 1 315.505 3.451 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000768546297 622463803 /nfs/dbraw/zinc/46/38/03/622463803.db2.gz IIHHNFLCIZKFQL-IBGZPJMESA-N 2 1 315.505 3.451 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000768546297 622463807 /nfs/dbraw/zinc/46/38/07/622463807.db2.gz IIHHNFLCIZKFQL-IBGZPJMESA-N 2 1 315.505 3.451 20 10 DGCDMP CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1O ZINC000769470046 622530466 /nfs/dbraw/zinc/53/04/66/622530466.db2.gz JIDRSGLZVGVYHW-GDBMZVCRSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1O ZINC000769470046 622530468 /nfs/dbraw/zinc/53/04/68/622530468.db2.gz JIDRSGLZVGVYHW-GDBMZVCRSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1O ZINC000769470046 622530470 /nfs/dbraw/zinc/53/04/70/622530470.db2.gz JIDRSGLZVGVYHW-GDBMZVCRSA-N 2 1 306.450 3.096 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000773766314 623070978 /nfs/dbraw/zinc/07/09/78/623070978.db2.gz RPJPIWSXUTVAEO-PKOBYXMFSA-N 2 1 301.478 3.059 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000773766314 623070985 /nfs/dbraw/zinc/07/09/85/623070985.db2.gz RPJPIWSXUTVAEO-PKOBYXMFSA-N 2 1 301.478 3.059 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000773766314 623070990 /nfs/dbraw/zinc/07/09/90/623070990.db2.gz RPJPIWSXUTVAEO-PKOBYXMFSA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1O ZINC000873235085 623086017 /nfs/dbraw/zinc/08/60/17/623086017.db2.gz KRGIGLWMBOWITO-CZUORRHYSA-N 2 1 302.393 3.142 20 10 DGCDMP CC1CCC([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775644401 623301897 /nfs/dbraw/zinc/30/18/97/623301897.db2.gz LFQKCSCFPZYRLW-UHFFFAOYSA-N 2 1 315.505 3.449 20 10 DGCDMP CC(C)C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775689320 623314574 /nfs/dbraw/zinc/31/45/74/623314574.db2.gz CRXWFEJGXNNIDD-LJQANCHMSA-N 2 1 315.505 3.306 20 10 DGCDMP Cc1cccc(O)c1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000877007159 623765127 /nfs/dbraw/zinc/76/51/27/623765127.db2.gz FJRMEDLTVZJEMI-LJQANCHMSA-N 2 1 324.468 3.355 20 10 DGCDMP CCOc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(O)c1 ZINC000877673623 623987071 /nfs/dbraw/zinc/98/70/71/623987071.db2.gz IMSORCBQWRJTLE-UHFFFAOYSA-N 2 1 318.461 3.241 20 10 DGCDMP COc1ccc(O)c(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)c1 ZINC000877794446 624036481 /nfs/dbraw/zinc/03/64/81/624036481.db2.gz LFHWCDUWDSLJTL-UHFFFAOYSA-N 2 1 318.461 3.241 20 10 DGCDMP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(C(F)(F)F)c1O ZINC000788574403 625218535 /nfs/dbraw/zinc/21/85/35/625218535.db2.gz SZLURFALCMJYCU-LLVKDONJSA-N 2 1 304.356 3.403 20 10 DGCDMP C[N@H+]1CC[C@H]([NH2+]CCCSc2nccs2)[C@H]2CCC[C@H]21 ZINC000796772779 626081174 /nfs/dbraw/zinc/08/11/74/626081174.db2.gz VUMDGBSGUJPVKT-HZSPNIEDSA-N 2 1 311.520 3.088 20 10 DGCDMP Cc1cc(Cl)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000809767952 626950149 /nfs/dbraw/zinc/95/01/49/626950149.db2.gz YXBTYOWFAHCKMS-CJNGLKHVSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000809767952 626950151 /nfs/dbraw/zinc/95/01/51/626950151.db2.gz YXBTYOWFAHCKMS-CJNGLKHVSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000809767952 626950152 /nfs/dbraw/zinc/95/01/52/626950152.db2.gz YXBTYOWFAHCKMS-CJNGLKHVSA-N 2 1 308.853 3.270 20 10 DGCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(C)C ZINC000812795506 627421727 /nfs/dbraw/zinc/42/17/27/627421727.db2.gz ZSVUOLMLYSNPJG-UHFFFAOYSA-N 2 1 303.494 3.306 20 10 DGCDMP Cc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1N(C)C ZINC000815054066 627619862 /nfs/dbraw/zinc/61/98/62/627619862.db2.gz FXDHSKIVYHPQKP-GOSISDBHSA-N 2 1 303.494 3.367 20 10 DGCDMP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)ccc1N(C)C ZINC000815054066 627619864 /nfs/dbraw/zinc/61/98/64/627619864.db2.gz FXDHSKIVYHPQKP-GOSISDBHSA-N 2 1 303.494 3.367 20 10 DGCDMP Cc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)ccc1N(C)C ZINC000815054066 627619867 /nfs/dbraw/zinc/61/98/67/627619867.db2.gz FXDHSKIVYHPQKP-GOSISDBHSA-N 2 1 303.494 3.367 20 10 DGCDMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1N(C)C ZINC000815055115 627619929 /nfs/dbraw/zinc/61/99/29/627619929.db2.gz WESBEOGFZZHADI-IBGZPJMESA-N 2 1 315.505 3.369 20 10 DGCDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000816642238 627817855 /nfs/dbraw/zinc/81/78/55/627817855.db2.gz ULGJZPMZZLYIGS-FQEVSTJZSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000816642238 627817858 /nfs/dbraw/zinc/81/78/58/627817858.db2.gz ULGJZPMZZLYIGS-FQEVSTJZSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000816642238 627817863 /nfs/dbraw/zinc/81/78/63/627817863.db2.gz ULGJZPMZZLYIGS-FQEVSTJZSA-N 2 1 310.441 3.463 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000816641726 627818301 /nfs/dbraw/zinc/81/83/01/627818301.db2.gz CZYSSJHCWPUTLK-FQEVSTJZSA-N 2 1 315.505 3.451 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000816641726 627818304 /nfs/dbraw/zinc/81/83/04/627818304.db2.gz CZYSSJHCWPUTLK-FQEVSTJZSA-N 2 1 315.505 3.451 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000816641726 627818307 /nfs/dbraw/zinc/81/83/07/627818307.db2.gz CZYSSJHCWPUTLK-FQEVSTJZSA-N 2 1 315.505 3.451 20 10 DGCDMP CN1CCCc2cc(C[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)ccc21 ZINC000817900030 627956046 /nfs/dbraw/zinc/95/60/46/627956046.db2.gz JSTQKOPMTQWSJL-MOPGFXCFSA-N 2 1 307.441 3.303 20 10 DGCDMP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000817953269 627973618 /nfs/dbraw/zinc/97/36/18/627973618.db2.gz YFJIBWMYPBAFSJ-MJGOQNOKSA-N 2 1 310.441 3.408 20 10 DGCDMP CCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1O ZINC000824649980 628679701 /nfs/dbraw/zinc/67/97/01/628679701.db2.gz KXFDWHCQYUMTAE-UHFFFAOYSA-N 2 1 322.412 3.385 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1Cl ZINC000825935507 628811850 /nfs/dbraw/zinc/81/18/50/628811850.db2.gz WIDBZDOGJUHZRH-CJNGLKHVSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000825935507 628811852 /nfs/dbraw/zinc/81/18/52/628811852.db2.gz WIDBZDOGJUHZRH-CJNGLKHVSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000825935507 628811855 /nfs/dbraw/zinc/81/18/55/628811855.db2.gz WIDBZDOGJUHZRH-CJNGLKHVSA-N 2 1 308.853 3.270 20 10 DGCDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834514391 629719841 /nfs/dbraw/zinc/71/98/41/629719841.db2.gz VNTAHDLHLWMFMZ-HLLBOEOZSA-N 2 1 302.462 3.337 20 10 DGCDMP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027121 629829120 /nfs/dbraw/zinc/82/91/20/629829120.db2.gz BJQSDCNUTLPSRF-OVKVCFKUSA-N 2 1 315.505 3.430 20 10 DGCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027121 629829121 /nfs/dbraw/zinc/82/91/21/629829121.db2.gz BJQSDCNUTLPSRF-OVKVCFKUSA-N 2 1 315.505 3.430 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027121 629829123 /nfs/dbraw/zinc/82/91/23/629829123.db2.gz BJQSDCNUTLPSRF-OVKVCFKUSA-N 2 1 315.505 3.430 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027121 629829125 /nfs/dbraw/zinc/82/91/25/629829125.db2.gz BJQSDCNUTLPSRF-OVKVCFKUSA-N 2 1 315.505 3.430 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000835041280 629832101 /nfs/dbraw/zinc/83/21/01/629832101.db2.gz AARVGOLTIBHCBW-LOTUCHTNSA-N 2 1 313.489 3.371 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000835055621 629840068 /nfs/dbraw/zinc/84/00/68/629840068.db2.gz LVVDZWJBCMFFPT-MNBNYPOFSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000835055621 629840073 /nfs/dbraw/zinc/84/00/73/629840073.db2.gz LVVDZWJBCMFFPT-MNBNYPOFSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000835055621 629840079 /nfs/dbraw/zinc/84/00/79/629840079.db2.gz LVVDZWJBCMFFPT-MNBNYPOFSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000835055621 629840080 /nfs/dbraw/zinc/84/00/80/629840080.db2.gz LVVDZWJBCMFFPT-MNBNYPOFSA-N 2 1 313.489 3.184 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000840895495 630374694 /nfs/dbraw/zinc/37/46/94/630374694.db2.gz YUQZXTAIXZYMOS-XKGZKEIXSA-N 2 1 315.505 3.208 20 10 DGCDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(Br)cc(C)c1O ZINC000841028662 630397761 /nfs/dbraw/zinc/39/77/61/630397761.db2.gz GHUFQUMGHDKAIZ-ZDUSSCGKSA-N 2 1 315.255 3.070 20 10 DGCDMP C[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000841037179 630400049 /nfs/dbraw/zinc/40/00/49/630400049.db2.gz YYBGEDFZLWCHNS-LAUBAEHRSA-N 2 1 323.484 3.454 20 10 DGCDMP C[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000841037179 630400050 /nfs/dbraw/zinc/40/00/50/630400050.db2.gz YYBGEDFZLWCHNS-LAUBAEHRSA-N 2 1 323.484 3.454 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1C[NH3+] ZINC000841100274 630407884 /nfs/dbraw/zinc/40/78/84/630407884.db2.gz AQYPQJARHGPTTP-SJLPKXTDSA-N 2 1 301.478 3.094 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000843047987 630608547 /nfs/dbraw/zinc/60/85/47/630608547.db2.gz GDXYAKHFROVLAG-RTBURBONSA-N 2 1 301.478 3.168 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000843047987 630608549 /nfs/dbraw/zinc/60/85/49/630608549.db2.gz GDXYAKHFROVLAG-RTBURBONSA-N 2 1 301.478 3.168 20 10 DGCDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843112574 630615091 /nfs/dbraw/zinc/61/50/91/630615091.db2.gz HVNHKEGGMFDGPB-QGZVFWFLSA-N 2 1 301.478 3.238 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126110 630616368 /nfs/dbraw/zinc/61/63/68/630616368.db2.gz GOBXQBFZQUKBRU-UONOGXRCSA-N 2 1 308.853 3.257 20 10 DGCDMP Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126043 630616688 /nfs/dbraw/zinc/61/66/88/630616688.db2.gz FFULDVJIRJXCNT-KBPBESRZSA-N 2 1 308.853 3.257 20 10 DGCDMP COc1ccc(N2CCC[N@@H+](CCCCCCC[NH3+])CC2)cc1 ZINC000844222098 630713039 /nfs/dbraw/zinc/71/30/39/630713039.db2.gz UGRWXDNJFYGCCE-UHFFFAOYSA-N 2 1 319.493 3.117 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1CC[NH3+] ZINC000844900686 630970310 /nfs/dbraw/zinc/97/03/10/630970310.db2.gz CQEYFWAGPMEDNQ-MFKMUULPSA-N 2 1 300.805 3.134 20 10 DGCDMP CCCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1O ZINC000846894140 631344199 /nfs/dbraw/zinc/34/41/99/631344199.db2.gz RIUYIVXPDOZUQB-UHFFFAOYSA-N 2 1 301.434 3.361 20 10 DGCDMP CCCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1O ZINC000846894140 631344204 /nfs/dbraw/zinc/34/42/04/631344204.db2.gz RIUYIVXPDOZUQB-UHFFFAOYSA-N 2 1 301.434 3.361 20 10 DGCDMP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1O ZINC000850583755 632201834 /nfs/dbraw/zinc/20/18/34/632201834.db2.gz OTVWAHNWVVKFLT-CYBMUJFWSA-N 2 1 306.425 3.304 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000164537662 658937506 /nfs/dbraw/zinc/93/75/06/658937506.db2.gz OFYVKLGKVSSKBW-VQIMIIECSA-N 2 1 314.473 3.458 20 10 DGCDMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC001576597020 1191852058 /nfs/dbraw/zinc/85/20/58/1191852058.db2.gz CRJNNKMACDDRAZ-SJLPKXTDSA-N 2 1 301.478 3.107 20 10 DGCDMP COc1cc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(O)c1 ZINC001621118661 1192644867 /nfs/dbraw/zinc/64/48/67/1192644867.db2.gz SUIBWKDJPSRWOK-INIZCTEOSA-N 2 1 318.461 3.017 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001333893541 1178691778 /nfs/dbraw/zinc/69/17/78/1178691778.db2.gz YXQHTUTXEIEHOA-NLWGTHIKSA-N 2 1 315.505 3.223 20 10 DGCDMP CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347236160 1179785563 /nfs/dbraw/zinc/78/55/63/1179785563.db2.gz WNBMRQJNGFUVKJ-WBVHZDCISA-N 2 1 319.468 3.340 20 10 DGCDMP CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347236160 1179785567 /nfs/dbraw/zinc/78/55/67/1179785567.db2.gz WNBMRQJNGFUVKJ-WBVHZDCISA-N 2 1 319.468 3.340 20 10 DGCDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001200715278 1180847978 /nfs/dbraw/zinc/84/79/78/1180847978.db2.gz VDMKRBFPVDCRHT-UHFFFAOYSA-N 2 1 312.461 3.362 20 10 DGCDMP CC(C)CCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001461231816 1182783395 /nfs/dbraw/zinc/78/33/95/1182783395.db2.gz VIAGZOADCHZUST-UHFFFAOYSA-N 2 1 321.484 3.493 20 10 DGCDMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(Cl)cc2O)C1 ZINC001474348766 1183907614 /nfs/dbraw/zinc/90/76/14/1183907614.db2.gz LCHBWOKKQWLMML-CQSZACIVSA-N 2 1 308.853 3.209 20 10 DGCDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474348766 1183907625 /nfs/dbraw/zinc/90/76/25/1183907625.db2.gz LCHBWOKKQWLMML-CQSZACIVSA-N 2 1 308.853 3.209 20 10 DGCDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001474348766 1183907628 /nfs/dbraw/zinc/90/76/28/1183907628.db2.gz LCHBWOKKQWLMML-CQSZACIVSA-N 2 1 308.853 3.209 20 10 DGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(OC)cc2O)C[C@H]1C ZINC001560636405 1189352994 /nfs/dbraw/zinc/35/29/94/1189352994.db2.gz FNPHRTZWYQRNFJ-HUUCEWRRSA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(OC)cc2O)C[C@H]1C ZINC001560636405 1189352996 /nfs/dbraw/zinc/35/29/96/1189352996.db2.gz FNPHRTZWYQRNFJ-HUUCEWRRSA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(OC)cc2O)C[C@H]1C ZINC001560636405 1189352999 /nfs/dbraw/zinc/35/29/99/1189352999.db2.gz FNPHRTZWYQRNFJ-HUUCEWRRSA-N 2 1 306.450 3.014 20 10 DGCDMP COc1cc(C)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(O)c1 ZINC001621169892 1193812333 /nfs/dbraw/zinc/81/23/33/1193812333.db2.gz XDLADPYJBRSHHO-UHFFFAOYSA-N 2 1 320.477 3.261 20 10 DGCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCCC1 ZINC001657521279 1196151272 /nfs/dbraw/zinc/15/12/72/1196151272.db2.gz IMUOLQKMAMOOMJ-HNNXBMFYSA-N 2 1 319.468 3.246 20 10 DGCDMP C[C@H](CC[NH2+]Cc1ccc(N(C)C)c(F)c1)[NH+]1CCCCC1 ZINC001657768184 1196176586 /nfs/dbraw/zinc/17/65/86/1196176586.db2.gz GUAYVAHQDUEYLA-OAHLLOKOSA-N 2 1 307.457 3.246 20 10 DGCDMP CC[C@H](C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001658248325 1196230387 /nfs/dbraw/zinc/23/03/87/1196230387.db2.gz OOUPQGBYTLJPPN-HNNXBMFYSA-N 2 1 307.457 3.103 20 10 DGCDMP COc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001659420801 1196381740 /nfs/dbraw/zinc/38/17/40/1196381740.db2.gz PWPGXIOAUWZQCG-CABCVRRESA-N 2 1 318.461 3.143 20 10 DGCDMP CCC(C)(C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001663031658 1196786207 /nfs/dbraw/zinc/78/62/07/1196786207.db2.gz CMPRJNWVODRNEW-UHFFFAOYSA-N 2 1 321.484 3.493 20 10 DGCDMP CC[NH+]1CCC(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC001664147867 1196975006 /nfs/dbraw/zinc/97/50/06/1196975006.db2.gz UGBGEQLPZVCTHG-UHFFFAOYSA-N 2 1 315.505 3.449 20 10 DGCDMP COc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1O ZINC000318839830 1199835098 /nfs/dbraw/zinc/83/50/98/1199835098.db2.gz HYSXNOFBMSTKAC-KRWDZBQOSA-N 2 1 324.852 3.020 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1O ZINC000318839830 1199835101 /nfs/dbraw/zinc/83/51/01/1199835101.db2.gz HYSXNOFBMSTKAC-KRWDZBQOSA-N 2 1 324.852 3.020 20 10 DGCDMP CC[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccc(N(C)C)cc1 ZINC001207486664 1083527801 /nfs/dbraw/zinc/52/78/01/1083527801.db2.gz AAGAOTFROKLYEW-UHFFFAOYSA-N 2 1 303.494 3.306 20 10 DGCDMP Nc1cccc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)[nH+]1 ZINC001155630225 1089192780 /nfs/dbraw/zinc/19/27/80/1089192780.db2.gz UEPOIBWBWZYDBE-TVKQPGBESA-N 2 1 324.472 3.063 20 10 DGCDMP Oc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001203560832 1090756597 /nfs/dbraw/zinc/75/65/97/1090756597.db2.gz HDZOMLYEMDZSAV-QUCCMNQESA-N 2 1 322.452 3.346 20 10 DGCDMP Oc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001203560832 1090756604 /nfs/dbraw/zinc/75/66/04/1090756604.db2.gz HDZOMLYEMDZSAV-QUCCMNQESA-N 2 1 322.452 3.346 20 10 DGCDMP Oc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001203560832 1090756608 /nfs/dbraw/zinc/75/66/08/1090756608.db2.gz HDZOMLYEMDZSAV-QUCCMNQESA-N 2 1 322.452 3.346 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H]1C[NH3+] ZINC001205319347 1091184322 /nfs/dbraw/zinc/18/43/22/1091184322.db2.gz ZGMARCAKMSEVSN-CRAIPNDOSA-N 2 1 310.441 3.476 20 10 DGCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001205570158 1091260390 /nfs/dbraw/zinc/26/03/90/1091260390.db2.gz GKLZJGZSFFLTSR-SFHVURJKSA-N 2 1 302.393 3.198 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@@H]1C[NH3+] ZINC001205637049 1091290682 /nfs/dbraw/zinc/29/06/82/1091290682.db2.gz GHHNFOVOIVFIKK-LSDHHAIUSA-N 2 1 304.478 3.497 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@H]1C[NH3+] ZINC001205638614 1091291736 /nfs/dbraw/zinc/29/17/36/1091291736.db2.gz PYMHIKXTIDKSDM-RYUDHWBXSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001205903495 1091402334 /nfs/dbraw/zinc/40/23/34/1091402334.db2.gz PQYCXAYHRRMMIU-WMZOPIPTSA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCC[C@H]1C[NH3+] ZINC001206025409 1091457256 /nfs/dbraw/zinc/45/72/56/1091457256.db2.gz NWIHWQLIGWCXSJ-NEPJUHHUSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCC[C@H]1C[NH3+] ZINC001206025412 1091457601 /nfs/dbraw/zinc/45/76/01/1091457601.db2.gz NWIHWQLIGWCXSJ-RYUDHWBXSA-N 2 1 316.367 3.218 20 10 DGCDMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(C)n1-c1ccccc1 ZINC001206164220 1091516164 /nfs/dbraw/zinc/51/61/64/1091516164.db2.gz JPTVRVOZRUVHIA-RTBURBONSA-N 2 1 315.436 3.355 20 10 DGCDMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(C)n1-c1ccccc1 ZINC001206164220 1091516167 /nfs/dbraw/zinc/51/61/67/1091516167.db2.gz JPTVRVOZRUVHIA-RTBURBONSA-N 2 1 315.436 3.355 20 10 DGCDMP C[N@@H+](CCc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139404708 1091549972 /nfs/dbraw/zinc/54/99/72/1091549972.db2.gz WTNHKUOEEXJNCV-UHFFFAOYSA-N 2 1 323.484 3.113 20 10 DGCDMP COc1cc(N(C)C)ccc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206598471 1091684302 /nfs/dbraw/zinc/68/43/02/1091684302.db2.gz KJNMCGFLOKYOED-KRWDZBQOSA-N 2 1 319.493 3.114 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C)C[C@H]3C)cc2)CC1 ZINC001140303830 1091820323 /nfs/dbraw/zinc/82/03/23/1091820323.db2.gz BKPBKGOCKRYNQJ-QZTJIDSGSA-N 2 1 315.505 3.449 20 10 DGCDMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140468336 1091878744 /nfs/dbraw/zinc/87/87/44/1091878744.db2.gz GOYYBTJGWFXHMN-HNNXBMFYSA-N 2 1 318.804 3.402 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000315473544 1095108189 /nfs/dbraw/zinc/10/81/89/1095108189.db2.gz KCSDXZZGEVZTCQ-CZUORRHYSA-N 2 1 300.446 3.465 20 10 DGCDMP Oc1ccc(F)cc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167776 1095473547 /nfs/dbraw/zinc/47/35/47/1095473547.db2.gz QWCKVDBDFLYMCY-GOSISDBHSA-N 2 1 306.425 3.277 20 10 DGCDMP Cc1c(O)ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1O ZINC001222168272 1095476347 /nfs/dbraw/zinc/47/63/47/1095476347.db2.gz ZHYHODATRMLFHW-IBGZPJMESA-N 2 1 318.461 3.152 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265155 1095520132 /nfs/dbraw/zinc/52/01/32/1095520132.db2.gz PEUMGMLCTWSODX-FQEVSTJZSA-N 2 1 313.489 3.252 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC001116437345 1095550462 /nfs/dbraw/zinc/55/04/62/1095550462.db2.gz ZRKHXRMDJBAXID-SFHVURJKSA-N 2 1 301.478 3.060 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC001116437345 1095550474 /nfs/dbraw/zinc/55/04/74/1095550474.db2.gz ZRKHXRMDJBAXID-SFHVURJKSA-N 2 1 301.478 3.060 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001116437345 1095550481 /nfs/dbraw/zinc/55/04/81/1095550481.db2.gz ZRKHXRMDJBAXID-SFHVURJKSA-N 2 1 301.478 3.060 20 10 DGCDMP CC[N@H+](CCC1CC1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116583616 1095607554 /nfs/dbraw/zinc/60/75/54/1095607554.db2.gz LVQRLTHLJLDRJH-UHFFFAOYSA-N 2 1 319.468 3.200 20 10 DGCDMP CC[N@@H+](CCC1CC1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116583616 1095607561 /nfs/dbraw/zinc/60/75/61/1095607561.db2.gz LVQRLTHLJLDRJH-UHFFFAOYSA-N 2 1 319.468 3.200 20 10 DGCDMP Oc1c(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001222476635 1095633472 /nfs/dbraw/zinc/63/34/72/1095633472.db2.gz AWFRWHWRGSDKJT-HXUWFJFHSA-N 2 1 308.425 3.387 20 10 DGCDMP Oc1c(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001222476635 1095633477 /nfs/dbraw/zinc/63/34/77/1095633477.db2.gz AWFRWHWRGSDKJT-HXUWFJFHSA-N 2 1 308.425 3.387 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001118016084 1095922698 /nfs/dbraw/zinc/92/26/98/1095922698.db2.gz TURIBAFLHHTUCO-QUCCMNQESA-N 2 1 313.489 3.251 20 10 DGCDMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(N(C)C)cc1 ZINC001172112613 1097059804 /nfs/dbraw/zinc/05/98/04/1097059804.db2.gz YFAGQXNMNVMZKP-WQCNXYOZSA-N 2 1 301.478 3.419 20 10 DGCDMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC001172112613 1097059810 /nfs/dbraw/zinc/05/98/10/1097059810.db2.gz YFAGQXNMNVMZKP-WQCNXYOZSA-N 2 1 301.478 3.419 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235030863 1098759801 /nfs/dbraw/zinc/75/98/01/1098759801.db2.gz HBTPWWLRHLOYNM-FQEVSTJZSA-N 2 1 309.457 3.280 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1N(C)C ZINC001235044810 1098772461 /nfs/dbraw/zinc/77/24/61/1098772461.db2.gz KVVLLEIYCUYNKA-IBGZPJMESA-N 2 1 301.478 3.169 20 10 DGCDMP Cc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1N(C)C ZINC001235152138 1098837852 /nfs/dbraw/zinc/83/78/52/1098837852.db2.gz CRWWLXLIJBPGFX-HXUWFJFHSA-N 2 1 315.505 3.415 20 10 DGCDMP CCc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(O)c1 ZINC001235153113 1098840292 /nfs/dbraw/zinc/84/02/92/1098840292.db2.gz DVBSPVMZNQUAPV-GOSISDBHSA-N 2 1 302.462 3.309 20 10 DGCDMP Cc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(O)c1 ZINC001235379229 1098988282 /nfs/dbraw/zinc/98/82/82/1098988282.db2.gz BSUCNAYEAHHRGZ-CTNGQTDRSA-N 2 1 322.452 3.280 20 10 DGCDMP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(O)c1 ZINC001235426367 1099020477 /nfs/dbraw/zinc/02/04/77/1099020477.db2.gz KQGZKXIHJILPPY-DLBZAZTESA-N 2 1 302.462 3.221 20 10 DGCDMP C[N@@H+](Cc1cc(Cl)c(Cl)cc1O)CC1CC[NH2+]CC1 ZINC001235432100 1099028193 /nfs/dbraw/zinc/02/81/93/1099028193.db2.gz IFWNUZWJIHQCOV-UHFFFAOYSA-N 2 1 303.233 3.130 20 10 DGCDMP C[N@H+](Cc1cc(Cl)c(Cl)cc1O)CC1CC[NH2+]CC1 ZINC001235432100 1099028205 /nfs/dbraw/zinc/02/82/05/1099028205.db2.gz IFWNUZWJIHQCOV-UHFFFAOYSA-N 2 1 303.233 3.130 20 10 DGCDMP Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432909 1099030415 /nfs/dbraw/zinc/03/04/15/1099030415.db2.gz ZILYUHLFPOIYSI-UONOGXRCSA-N 2 1 308.853 3.257 20 10 DGCDMP C[NH2+]CC1CC[NH+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001235679645 1099122921 /nfs/dbraw/zinc/12/29/21/1099122921.db2.gz MFXMEFJRZXWICA-UHFFFAOYSA-N 2 1 303.233 3.130 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](CC)C2CC[NH2+]CC2)c(OC)c1 ZINC001235761668 1099169153 /nfs/dbraw/zinc/16/91/53/1099169153.db2.gz OHGFZOZQUKCJNP-UHFFFAOYSA-N 2 1 319.493 3.115 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](CC)C2CC[NH2+]CC2)c(OC)c1 ZINC001235761668 1099169156 /nfs/dbraw/zinc/16/91/56/1099169156.db2.gz OHGFZOZQUKCJNP-UHFFFAOYSA-N 2 1 319.493 3.115 20 10 DGCDMP CCN(Cc1c([O-])ccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC001235764517 1099170612 /nfs/dbraw/zinc/17/06/12/1099170612.db2.gz HYDMEXJMGKSTGJ-UHFFFAOYSA-N 2 1 303.233 3.273 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC001235950401 1099282923 /nfs/dbraw/zinc/28/29/23/1099282923.db2.gz DWLYMMOFTUQHRS-MRXNPFEDSA-N 2 1 311.473 3.337 20 10 DGCDMP Oc1ccc(Cl)c(Cl)c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236010825 1099333642 /nfs/dbraw/zinc/33/36/42/1099333642.db2.gz YKGUJCPAHPGIPT-UHFFFAOYSA-N 2 1 315.244 3.275 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001236190889 1099456146 /nfs/dbraw/zinc/45/61/46/1099456146.db2.gz ZRICKLGKKQFRQJ-UHFFFAOYSA-N 2 1 309.457 3.030 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001236189770 1099456979 /nfs/dbraw/zinc/45/69/79/1099456979.db2.gz NDFCTECERXRQPX-UHFFFAOYSA-N 2 1 309.457 3.030 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c2c1 ZINC001236215807 1099471779 /nfs/dbraw/zinc/47/17/79/1099471779.db2.gz IKEPUHHERFETQG-ROUUACIJSA-N 2 1 314.429 3.256 20 10 DGCDMP C[N@H+](Cc1cc(C(F)(F)F)ccc1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216404 1099472402 /nfs/dbraw/zinc/47/24/02/1099472402.db2.gz KFINROBZZRTBQD-CHWSQXEVSA-N 2 1 302.340 3.113 20 10 DGCDMP C[N@@H+](Cc1cc(C(F)(F)F)ccc1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236216404 1099472407 /nfs/dbraw/zinc/47/24/07/1099472407.db2.gz KFINROBZZRTBQD-CHWSQXEVSA-N 2 1 302.340 3.113 20 10 DGCDMP C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219701 1099478579 /nfs/dbraw/zinc/47/85/79/1099478579.db2.gz XMXDJTIPSNXEIQ-MOPGFXCFSA-N 2 1 313.489 3.087 20 10 DGCDMP C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219701 1099478586 /nfs/dbraw/zinc/47/85/86/1099478586.db2.gz XMXDJTIPSNXEIQ-MOPGFXCFSA-N 2 1 313.489 3.087 20 10 DGCDMP Cc1cccc(O)c1C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236304034 1099525475 /nfs/dbraw/zinc/52/54/75/1099525475.db2.gz GKIBRCMIDANWCE-UHFFFAOYSA-N 2 1 310.441 3.455 20 10 DGCDMP Oc1ccc(F)cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374158 1099559805 /nfs/dbraw/zinc/55/98/05/1099559805.db2.gz PHZXREKKXCVAOK-AWEZNQCLSA-N 2 1 306.425 3.276 20 10 DGCDMP Oc1cccc(F)c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375155 1099561680 /nfs/dbraw/zinc/56/16/80/1099561680.db2.gz XFBFDYXDXVYBSV-CQSZACIVSA-N 2 1 306.425 3.276 20 10 DGCDMP Oc1cccc(F)c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375155 1099561683 /nfs/dbraw/zinc/56/16/83/1099561683.db2.gz XFBFDYXDXVYBSV-CQSZACIVSA-N 2 1 306.425 3.276 20 10 DGCDMP CC(C)[N@H+](Cc1ccc2c(c1)CCCN2C)[C@@H]1CCC[NH2+]C1 ZINC001236468547 1099628584 /nfs/dbraw/zinc/62/85/84/1099628584.db2.gz HYXSGSVEVKJMID-GOSISDBHSA-N 2 1 301.478 3.031 20 10 DGCDMP CC(C)[N@@H+](Cc1ccc2c(c1)CCCN2C)[C@@H]1CCC[NH2+]C1 ZINC001236468547 1099628588 /nfs/dbraw/zinc/62/85/88/1099628588.db2.gz HYXSGSVEVKJMID-GOSISDBHSA-N 2 1 301.478 3.031 20 10 DGCDMP CCc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(O)c1 ZINC001236786554 1099783769 /nfs/dbraw/zinc/78/37/69/1099783769.db2.gz CTGVHEDDFVGUFT-KRWDZBQOSA-N 2 1 312.413 3.311 20 10 DGCDMP CCc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(O)c1 ZINC001236786554 1099783778 /nfs/dbraw/zinc/78/37/78/1099783778.db2.gz CTGVHEDDFVGUFT-KRWDZBQOSA-N 2 1 312.413 3.311 20 10 DGCDMP CCC[N@H+](Cc1ccc(N(CC)CC)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001236834888 1099821430 /nfs/dbraw/zinc/82/14/30/1099821430.db2.gz JJESCNFCOHPFDM-MRXNPFEDSA-N 2 1 319.493 3.060 20 10 DGCDMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(O)c1 ZINC001237041045 1099939095 /nfs/dbraw/zinc/93/90/95/1099939095.db2.gz BAEXQNBVRQHMKP-UHFFFAOYSA-N 2 1 320.477 3.343 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c2ccccc21 ZINC001237384422 1100102799 /nfs/dbraw/zinc/10/27/99/1100102799.db2.gz WRJGEBHPUWNRHG-PXNSSMCTSA-N 2 1 323.484 3.480 20 10 DGCDMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(COCC)c2)CC1 ZINC001199021215 1102042816 /nfs/dbraw/zinc/04/28/16/1102042816.db2.gz DOCLRUPGRZKUEM-UHFFFAOYSA-N 2 1 320.477 3.196 20 10 DGCDMP CC[NH+](CC)C1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC001325583220 1103073615 /nfs/dbraw/zinc/07/36/15/1103073615.db2.gz WYOPMKPRYUUBQV-UHFFFAOYSA-N 2 1 303.494 3.367 20 10 DGCDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1C[NH3+] ZINC001325701910 1103105828 /nfs/dbraw/zinc/10/58/28/1103105828.db2.gz CLIDHIRRIKLNHK-RYRKJORJSA-N 2 1 301.478 3.092 20 10 DGCDMP C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321185254 1107277233 /nfs/dbraw/zinc/27/72/33/1107277233.db2.gz PZWRHAFKVUSIHC-RDJZCZTQSA-N 2 1 319.468 3.103 20 10 DGCDMP CC(C)[C@@H](C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319932694 1108700136 /nfs/dbraw/zinc/70/01/36/1108700136.db2.gz RFQRYVODKDZNOY-OAHLLOKOSA-N 2 1 307.457 3.054 20 10 DGCDMP CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319932694 1108700145 /nfs/dbraw/zinc/70/01/45/1108700145.db2.gz RFQRYVODKDZNOY-OAHLLOKOSA-N 2 1 307.457 3.054 20 10 DGCDMP CC(C)C[N@@H+](C)CCCNCc1cc(F)c(N(C)C)cc1F ZINC001308456728 1111430953 /nfs/dbraw/zinc/43/09/53/1111430953.db2.gz HUZIODHNMQOLGW-UHFFFAOYSA-N 2 1 313.436 3.098 20 10 DGCDMP CC(C)c1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC001308569777 1111445699 /nfs/dbraw/zinc/44/56/99/1111445699.db2.gz IWOJJBHKNMLHHI-FUHWJXTLSA-N 2 1 302.462 3.432 20 10 DGCDMP Oc1cc(Cl)ccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001621460488 1193845075 /nfs/dbraw/zinc/84/50/75/1193845075.db2.gz QWJUYFKRCIHLCH-CQSZACIVSA-N 2 1 308.853 3.257 20 10 DGCDMP Oc1cc(Cl)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001621460488 1193845077 /nfs/dbraw/zinc/84/50/77/1193845077.db2.gz QWJUYFKRCIHLCH-CQSZACIVSA-N 2 1 308.853 3.257 20 10 DGCDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000125463477 431926538 /nfs/dbraw/zinc/92/65/38/431926538.db2.gz RSNBYTLEIBIGOF-SFHVURJKSA-N 2 1 301.478 3.060 20 10 DGCDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000185059834 432462807 /nfs/dbraw/zinc/46/28/07/432462807.db2.gz GWDWINPSXOSFOZ-LSDHHAIUSA-N 2 1 302.462 3.263 20 10 DGCDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215587 432723907 /nfs/dbraw/zinc/72/39/07/432723907.db2.gz BTQBJKINLQTVMY-PXNSSMCTSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215587 432723911 /nfs/dbraw/zinc/72/39/11/432723911.db2.gz BTQBJKINLQTVMY-PXNSSMCTSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215587 432723914 /nfs/dbraw/zinc/72/39/14/432723914.db2.gz BTQBJKINLQTVMY-PXNSSMCTSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215587 432723916 /nfs/dbraw/zinc/72/39/16/432723916.db2.gz BTQBJKINLQTVMY-PXNSSMCTSA-N 2 1 315.505 3.449 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C)ccc1O ZINC000290323660 433032678 /nfs/dbraw/zinc/03/26/78/433032678.db2.gz DFRQXEQKXHLASG-UHFFFAOYSA-N 2 1 301.434 3.372 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C)ccc1O ZINC000290323660 433032682 /nfs/dbraw/zinc/03/26/82/433032682.db2.gz DFRQXEQKXHLASG-UHFFFAOYSA-N 2 1 301.434 3.372 20 10 DGCDMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000733324567 574615875 /nfs/dbraw/zinc/61/58/75/574615875.db2.gz KVRFSIPJAOFXPR-HOTGVXAUSA-N 2 1 321.484 3.349 20 10 DGCDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)ccc1O ZINC000853240022 620680866 /nfs/dbraw/zinc/68/08/66/620680866.db2.gz LOZBBPQQJBDKKR-ZFWWWQNUSA-N 2 1 306.425 3.304 20 10 DGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(O)c1 ZINC000853239282 620681036 /nfs/dbraw/zinc/68/10/36/620681036.db2.gz DHWZJFUJTWHIMY-NVXWUHKLSA-N 2 1 302.462 3.473 20 10 DGCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853239393 620681059 /nfs/dbraw/zinc/68/10/59/620681059.db2.gz GODGBDYLXRZOSR-ZBFHGGJFSA-N 2 1 318.461 3.173 20 10 DGCDMP Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000853240603 620681120 /nfs/dbraw/zinc/68/11/20/620681120.db2.gz OWJMWKLOHPFNQG-WBVHZDCISA-N 2 1 300.446 3.091 20 10 DGCDMP COc1cccc(O)c1CNC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000841037439 619207148 /nfs/dbraw/zinc/20/71/48/619207148.db2.gz QHMAFEVHMBVEES-KRWDZBQOSA-N 2 1 314.429 3.314 20 10 DGCDMP CN(C)c1ccc([C@H](N)C[NH2+]Cc2cc(F)cc(Cl)c2)cc1 ZINC000841045509 619247271 /nfs/dbraw/zinc/24/72/71/619247271.db2.gz LYWYLCMGYNMIPY-QGZVFWFLSA-N 2 1 321.827 3.335 20 10 DGCDMP CN(C)c1cc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1F ZINC000858146665 621158048 /nfs/dbraw/zinc/15/80/48/621158048.db2.gz KQUTZLJNGRBIBW-GOOCMWNKSA-N 2 1 323.431 3.136 20 10 DGCDMP CN(C)c1cc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1F ZINC000858146665 621158049 /nfs/dbraw/zinc/15/80/49/621158049.db2.gz KQUTZLJNGRBIBW-GOOCMWNKSA-N 2 1 323.431 3.136 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000755777275 621592994 /nfs/dbraw/zinc/59/29/94/621592994.db2.gz BFLJSLDFVRAUCD-QGZVFWFLSA-N 2 1 302.462 3.173 20 10 DGCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)CCC4)C2)CC1 ZINC000755780073 621593254 /nfs/dbraw/zinc/59/32/54/621593254.db2.gz MHZPNYNZIJGVEN-GOSISDBHSA-N 2 1 314.473 3.045 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](CC[C@H]2CCC[NH+]2C)C2CC2)cc1 ZINC000759846395 621895704 /nfs/dbraw/zinc/89/57/04/621895704.db2.gz UCUMPRZESRGLQU-GOSISDBHSA-N 2 1 301.478 3.201 20 10 DGCDMP CN(C)c1ccc(C[NH+](CC[C@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000759846395 621895705 /nfs/dbraw/zinc/89/57/05/621895705.db2.gz UCUMPRZESRGLQU-GOSISDBHSA-N 2 1 301.478 3.201 20 10 DGCDMP CN(C)c1ccc(C[NH+](CC[C@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000759846395 621895708 /nfs/dbraw/zinc/89/57/08/621895708.db2.gz UCUMPRZESRGLQU-GOSISDBHSA-N 2 1 301.478 3.201 20 10 DGCDMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000764967360 622236564 /nfs/dbraw/zinc/23/65/64/622236564.db2.gz UFAAJAPZCXMRRW-FHWLQOOXSA-N 2 1 301.478 3.420 20 10 DGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000764967360 622236566 /nfs/dbraw/zinc/23/65/66/622236566.db2.gz UFAAJAPZCXMRRW-FHWLQOOXSA-N 2 1 301.478 3.420 20 10 DGCDMP CC(=O)c1cc(Cl)cc(C[N@H+](C)CCCCCC[NH3+])c1O ZINC000872154760 622835712 /nfs/dbraw/zinc/83/57/12/622835712.db2.gz AEJYDYIQKOWYKU-UHFFFAOYSA-N 2 1 312.841 3.199 20 10 DGCDMP CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCCCC[NH3+])c1O ZINC000872154760 622835717 /nfs/dbraw/zinc/83/57/17/622835717.db2.gz AEJYDYIQKOWYKU-UHFFFAOYSA-N 2 1 312.841 3.199 20 10 DGCDMP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)C ZINC000775653478 623304472 /nfs/dbraw/zinc/30/44/72/623304472.db2.gz ICORADILXSDZOX-UHFFFAOYSA-N 2 1 303.494 3.306 20 10 DGCDMP CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775708870 623317294 /nfs/dbraw/zinc/31/72/94/623317294.db2.gz PIJJXCCBOLAPTF-AEFFLSMTSA-N 2 1 301.478 3.059 20 10 DGCDMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(O)c1 ZINC000876811577 623714212 /nfs/dbraw/zinc/71/42/12/623714212.db2.gz LIILZWLXWIVCGA-YJBOKZPZSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(O)c1 ZINC000876811577 623714214 /nfs/dbraw/zinc/71/42/14/623714214.db2.gz LIILZWLXWIVCGA-YJBOKZPZSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(O)c1 ZINC000876811577 623714215 /nfs/dbraw/zinc/71/42/15/623714215.db2.gz LIILZWLXWIVCGA-YJBOKZPZSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC000788783706 625265121 /nfs/dbraw/zinc/26/51/21/625265121.db2.gz NSFRFCACQFUTFO-DLBZAZTESA-N 2 1 320.477 3.161 20 10 DGCDMP CCCN(Cc1ncc(C[NH+](C)C)s1)c1ccc(C[NH3+])cc1 ZINC000809654594 626933193 /nfs/dbraw/zinc/93/31/93/626933193.db2.gz IGGPOBGACDBEBX-UHFFFAOYSA-N 2 1 318.490 3.080 20 10 DGCDMP COc1cccc(O)c1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739122 626944049 /nfs/dbraw/zinc/94/40/49/626944049.db2.gz YCVZXYQEINPFDC-UHFFFAOYSA-N 2 1 314.429 3.094 20 10 DGCDMP CSC1(C[NH2+][C@H](C)c2c(O)cccc2F)CC[NH+](C)CC1 ZINC000886612189 627173051 /nfs/dbraw/zinc/17/30/51/627173051.db2.gz FKYAJRLIZKIRKP-GFCCVEGCSA-N 2 1 312.454 3.009 20 10 DGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000815057648 627620698 /nfs/dbraw/zinc/62/06/98/627620698.db2.gz WHZDQAACGPYWBQ-SJLPKXTDSA-N 2 1 303.494 3.366 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000815057648 627620699 /nfs/dbraw/zinc/62/06/99/627620699.db2.gz WHZDQAACGPYWBQ-SJLPKXTDSA-N 2 1 303.494 3.366 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000815057648 627620701 /nfs/dbraw/zinc/62/07/01/627620701.db2.gz WHZDQAACGPYWBQ-SJLPKXTDSA-N 2 1 303.494 3.366 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000815145338 627636655 /nfs/dbraw/zinc/63/66/55/627636655.db2.gz RUCZZNZJJSYSJX-LJQANCHMSA-N 2 1 301.478 3.060 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000815145338 627636659 /nfs/dbraw/zinc/63/66/59/627636659.db2.gz RUCZZNZJJSYSJX-LJQANCHMSA-N 2 1 301.478 3.060 20 10 DGCDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956137 627974057 /nfs/dbraw/zinc/97/40/57/627974057.db2.gz RODPJDXVGGRNIK-UTKZUKDTSA-N 2 1 323.484 3.312 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956137 627974062 /nfs/dbraw/zinc/97/40/62/627974062.db2.gz RODPJDXVGGRNIK-UTKZUKDTSA-N 2 1 323.484 3.312 20 10 DGCDMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817960338 627975881 /nfs/dbraw/zinc/97/58/81/627975881.db2.gz MEDDDHKQAIFTFB-SUMWQHHRSA-N 2 1 305.441 3.204 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(Cl)c(Cl)cc1O ZINC000817969227 627979117 /nfs/dbraw/zinc/97/91/17/627979117.db2.gz AAWDAGMUEPNMFB-MWODSPESSA-N 2 1 303.233 3.348 20 10 DGCDMP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cccc(C(F)(F)F)c1O ZINC000817981211 627982716 /nfs/dbraw/zinc/98/27/16/627982716.db2.gz HFFVWXZZIIRSRZ-AXFHLTTASA-N 2 1 302.340 3.189 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827949765 629007042 /nfs/dbraw/zinc/00/70/42/629007042.db2.gz NSDBDBNFYNAFEO-SFHVURJKSA-N 2 1 315.505 3.273 20 10 DGCDMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2c1c(F)ccc2O ZINC000834891805 629799264 /nfs/dbraw/zinc/79/92/64/629799264.db2.gz JLWKUFLMGFCRAN-ZWOWXGAWSA-N 2 1 304.409 3.294 20 10 DGCDMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2c1c(F)ccc2O ZINC000834891804 629799402 /nfs/dbraw/zinc/79/94/02/629799402.db2.gz JLWKUFLMGFCRAN-JXODSGKVSA-N 2 1 304.409 3.294 20 10 DGCDMP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027155 629828860 /nfs/dbraw/zinc/82/88/60/629828860.db2.gz BOPKRLAASPNWRN-HPFMTEOYSA-N 2 1 301.478 3.039 20 10 DGCDMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027155 629828868 /nfs/dbraw/zinc/82/88/68/629828868.db2.gz BOPKRLAASPNWRN-HPFMTEOYSA-N 2 1 301.478 3.039 20 10 DGCDMP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027155 629828871 /nfs/dbraw/zinc/82/88/71/629828871.db2.gz BOPKRLAASPNWRN-HPFMTEOYSA-N 2 1 301.478 3.039 20 10 DGCDMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027155 629828876 /nfs/dbraw/zinc/82/88/76/629828876.db2.gz BOPKRLAASPNWRN-HPFMTEOYSA-N 2 1 301.478 3.039 20 10 DGCDMP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027156 629829153 /nfs/dbraw/zinc/82/91/53/629829153.db2.gz BOPKRLAASPNWRN-IPLHWJFFSA-N 2 1 301.478 3.039 20 10 DGCDMP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027156 629829155 /nfs/dbraw/zinc/82/91/55/629829155.db2.gz BOPKRLAASPNWRN-IPLHWJFFSA-N 2 1 301.478 3.039 20 10 DGCDMP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027156 629829157 /nfs/dbraw/zinc/82/91/57/629829157.db2.gz BOPKRLAASPNWRN-IPLHWJFFSA-N 2 1 301.478 3.039 20 10 DGCDMP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027156 629829158 /nfs/dbraw/zinc/82/91/58/629829158.db2.gz BOPKRLAASPNWRN-IPLHWJFFSA-N 2 1 301.478 3.039 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000835029122 629829362 /nfs/dbraw/zinc/82/93/62/629829362.db2.gz UYMNLQLMRQXDQJ-AATRIKPKSA-N 2 1 301.478 3.039 20 10 DGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835035523 629830337 /nfs/dbraw/zinc/83/03/37/629830337.db2.gz IVWCBYFTQRORQC-SQRWCISFSA-N 2 1 312.461 3.197 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835052495 629836976 /nfs/dbraw/zinc/83/69/76/629836976.db2.gz DPFWROYBOGXRIB-ALCCZGGFSA-N 2 1 312.461 3.293 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835052495 629836979 /nfs/dbraw/zinc/83/69/79/629836979.db2.gz DPFWROYBOGXRIB-ALCCZGGFSA-N 2 1 312.461 3.293 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000835055199 629838592 /nfs/dbraw/zinc/83/85/92/629838592.db2.gz WTVSNQAUBDQFMH-VOTSOKGWSA-N 2 1 313.489 3.372 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000840895493 630374306 /nfs/dbraw/zinc/37/43/06/630374306.db2.gz YUQZXTAIXZYMOS-ILZDJORESA-N 2 1 315.505 3.208 20 10 DGCDMP Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045346 630607655 /nfs/dbraw/zinc/60/76/55/630607655.db2.gz NUUXCWMCAZCCRE-RISCZKNCSA-N 2 1 312.816 3.149 20 10 DGCDMP CCCN(CCC)c1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000843046137 630608059 /nfs/dbraw/zinc/60/80/59/630608059.db2.gz OGOYDGQGZZPAQT-UHFFFAOYSA-N 2 1 303.494 3.497 20 10 DGCDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1[NH3+] ZINC000843053694 630609056 /nfs/dbraw/zinc/60/90/56/630609056.db2.gz RERHFNABBUBCHQ-HKUYNNGSSA-N 2 1 301.478 3.236 20 10 DGCDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000843056453 630609452 /nfs/dbraw/zinc/60/94/52/630609452.db2.gz KKWZEALIKIJVSM-IBGZPJMESA-N 2 1 303.494 3.482 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCC[NH2+]C1 ZINC000843059924 630609936 /nfs/dbraw/zinc/60/99/36/630609936.db2.gz USRHHCHMNYRGSA-SFHVURJKSA-N 2 1 301.478 3.108 20 10 DGCDMP CCOc1ccc(O)c(C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000843124049 630615820 /nfs/dbraw/zinc/61/58/20/630615820.db2.gz ULQMJLXEGILTEF-UHFFFAOYSA-N 2 1 306.450 3.132 20 10 DGCDMP CCOc1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c(O)c1 ZINC000843123855 630615901 /nfs/dbraw/zinc/61/59/01/630615901.db2.gz QNRUHYZBWOVERC-UHFFFAOYSA-N 2 1 306.450 3.132 20 10 DGCDMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843122466 630616036 /nfs/dbraw/zinc/61/60/36/630616036.db2.gz CYZDNLAKZGGNMX-SFHVURJKSA-N 2 1 301.478 3.380 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1O ZINC000843125245 630616612 /nfs/dbraw/zinc/61/66/12/630616612.db2.gz OXOOBJMCVOLCEY-ZIAGYGMSSA-N 2 1 308.853 3.176 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000105443460 630712147 /nfs/dbraw/zinc/71/21/47/630712147.db2.gz SUELZJCHNPSCML-MRXNPFEDSA-N 2 1 314.477 3.464 20 10 DGCDMP CC(C)[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(N(C)C)cc1 ZINC000846776731 631302318 /nfs/dbraw/zinc/30/23/18/631302318.db2.gz WORCMLWMHRBRHF-UHFFFAOYSA-N 2 1 314.477 3.329 20 10 DGCDMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(N(C)C)cc1 ZINC000846776731 631302324 /nfs/dbraw/zinc/30/23/24/631302324.db2.gz WORCMLWMHRBRHF-UHFFFAOYSA-N 2 1 314.477 3.329 20 10 DGCDMP Oc1cccc(Cl)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350543 631901019 /nfs/dbraw/zinc/90/10/19/631901019.db2.gz PUNKVRWSFSMRFX-AWEZNQCLSA-N 2 1 308.853 3.257 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350757 631901342 /nfs/dbraw/zinc/90/13/42/631901342.db2.gz VFVPLFBLVPUKHQ-IBGZPJMESA-N 2 1 315.505 3.273 20 10 DGCDMP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1O ZINC000850583756 632201857 /nfs/dbraw/zinc/20/18/57/632201857.db2.gz OTVWAHNWVVKFLT-ZDUSSCGKSA-N 2 1 306.425 3.304 20 10 DGCDMP C[NH+](C)C1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000091669362 660449651 /nfs/dbraw/zinc/44/96/51/660449651.db2.gz FDUBZCHZAIECLY-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1C(C)C ZINC000793743192 661055237 /nfs/dbraw/zinc/05/52/37/661055237.db2.gz HTTUDJNKGCXELA-LJQANCHMSA-N 2 1 302.462 3.352 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1C(C)C ZINC000793743192 661055239 /nfs/dbraw/zinc/05/52/39/661055239.db2.gz HTTUDJNKGCXELA-LJQANCHMSA-N 2 1 302.462 3.352 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1C(C)C ZINC000793743192 661055242 /nfs/dbraw/zinc/05/52/42/661055242.db2.gz HTTUDJNKGCXELA-LJQANCHMSA-N 2 1 302.462 3.352 20 10 DGCDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000160453690 655636109 /nfs/dbraw/zinc/63/61/09/655636109.db2.gz JUGXUYLLKPDOGL-IEBWSBKVSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000160453690 655636111 /nfs/dbraw/zinc/63/61/11/655636111.db2.gz JUGXUYLLKPDOGL-IEBWSBKVSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000160453690 655636112 /nfs/dbraw/zinc/63/61/12/655636112.db2.gz JUGXUYLLKPDOGL-IEBWSBKVSA-N 2 1 314.473 3.187 20 10 DGCDMP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000192872396 658761358 /nfs/dbraw/zinc/76/13/58/658761358.db2.gz PBBMCDCJHNLBLE-CABCVRRESA-N 2 1 306.450 3.316 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683575 662358082 /nfs/dbraw/zinc/35/80/82/662358082.db2.gz DLXIXOVNXNLOAW-CQSZACIVSA-N 2 1 308.853 3.353 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683575 662358085 /nfs/dbraw/zinc/35/80/85/662358085.db2.gz DLXIXOVNXNLOAW-CQSZACIVSA-N 2 1 308.853 3.353 20 10 DGCDMP C[C@@H]1CC2(C[N@@H+]1Cc1cc(Cl)c(F)cc1O)CC[NH2+]CC2 ZINC001576636662 1191856338 /nfs/dbraw/zinc/85/63/38/1191856338.db2.gz FSIDUXUXFVQVGT-LLVKDONJSA-N 2 1 312.816 3.149 20 10 DGCDMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)c(F)cc1O)CC[NH2+]CC2 ZINC001576636662 1191856339 /nfs/dbraw/zinc/85/63/39/1191856339.db2.gz FSIDUXUXFVQVGT-LLVKDONJSA-N 2 1 312.816 3.149 20 10 DGCDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(N)cc2)C1 ZINC001334753948 1178791860 /nfs/dbraw/zinc/79/18/60/1178791860.db2.gz KBWPDRMYWWFJJA-AEFFLSMTSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(N)cc2)C1 ZINC001334753948 1178791867 /nfs/dbraw/zinc/79/18/67/1178791867.db2.gz KBWPDRMYWWFJJA-AEFFLSMTSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(N)cc2)C1 ZINC001334753948 1178791872 /nfs/dbraw/zinc/79/18/72/1178791872.db2.gz KBWPDRMYWWFJJA-AEFFLSMTSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334753948 1178791873 /nfs/dbraw/zinc/79/18/73/1178791873.db2.gz KBWPDRMYWWFJJA-AEFFLSMTSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334753948 1178791877 /nfs/dbraw/zinc/79/18/77/1178791877.db2.gz KBWPDRMYWWFJJA-AEFFLSMTSA-N 2 1 301.478 3.355 20 10 DGCDMP CCCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001341537646 1179025136 /nfs/dbraw/zinc/02/51/36/1179025136.db2.gz HRQTWDRZVHCTCJ-UHFFFAOYSA-N 2 1 319.468 3.342 20 10 DGCDMP CCCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001341537646 1179025148 /nfs/dbraw/zinc/02/51/48/1179025148.db2.gz HRQTWDRZVHCTCJ-UHFFFAOYSA-N 2 1 319.468 3.342 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001356057024 1181132712 /nfs/dbraw/zinc/13/27/12/1181132712.db2.gz LCIQFEAHTVFNBO-JZXOWHBKSA-N 2 1 302.462 3.171 20 10 DGCDMP CCCCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001460998849 1182753751 /nfs/dbraw/zinc/75/37/51/1182753751.db2.gz KCQYUHQKGYPJFZ-UHFFFAOYSA-N 2 1 307.457 3.247 20 10 DGCDMP CC(C)C[N@H+](Cc1cc(F)ccc1O)CC1CC[NH+](C)CC1 ZINC001560979413 1189414742 /nfs/dbraw/zinc/41/47/42/1189414742.db2.gz IDCSRRWQRVYCEL-UHFFFAOYSA-N 2 1 308.441 3.331 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000073381095 1196156020 /nfs/dbraw/zinc/15/60/20/1196156020.db2.gz BTSCRKJNFFTXCN-UHFFFAOYSA-N 2 1 313.489 3.393 20 10 DGCDMP CC1CC[NH+](CCC[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC001660797728 1196526035 /nfs/dbraw/zinc/52/60/35/1196526035.db2.gz TXZVVTKDZMQPQS-UHFFFAOYSA-N 2 1 307.457 3.103 20 10 DGCDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000314945586 1199797476 /nfs/dbraw/zinc/79/74/76/1199797476.db2.gz RPPZQLDYTMVFFG-GOSISDBHSA-N 2 1 301.478 3.107 20 10 DGCDMP COc1cc(C)c(C[N@H+]2CCC(C)(C)[NH2+]C(C)(C)C2)c(O)c1 ZINC001184376026 1084166780 /nfs/dbraw/zinc/16/67/80/1084166780.db2.gz YYAURPUJZDCUTK-UHFFFAOYSA-N 2 1 306.450 3.062 20 10 DGCDMP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(O)c1 ZINC001203630797 1084565524 /nfs/dbraw/zinc/56/55/24/1084565524.db2.gz VNLDBCBVAQSCRN-QGZVFWFLSA-N 2 1 318.461 3.241 20 10 DGCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCCC[C@@H](C[NH3+])C3)ccc2O1 ZINC001206649828 1088352715 /nfs/dbraw/zinc/35/27/15/1088352715.db2.gz ZQVHKOOORKTEBA-AWEZNQCLSA-N 2 1 316.445 3.137 20 10 DGCDMP COc1cccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1O ZINC001203596565 1090764069 /nfs/dbraw/zinc/76/40/69/1090764069.db2.gz IYJNWZUFSNTLRL-DLBZAZTESA-N 2 1 318.461 3.240 20 10 DGCDMP COc1cccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1O ZINC001203596565 1090764071 /nfs/dbraw/zinc/76/40/71/1090764071.db2.gz IYJNWZUFSNTLRL-DLBZAZTESA-N 2 1 318.461 3.240 20 10 DGCDMP COc1cccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1O ZINC001203596565 1090764074 /nfs/dbraw/zinc/76/40/74/1090764074.db2.gz IYJNWZUFSNTLRL-DLBZAZTESA-N 2 1 318.461 3.240 20 10 DGCDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC001203931915 1090843016 /nfs/dbraw/zinc/84/30/16/1090843016.db2.gz MIJWHQIBPJIWDO-UHFFFAOYSA-N 2 1 324.472 3.195 20 10 DGCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001205016818 1091085441 /nfs/dbraw/zinc/08/54/41/1091085441.db2.gz KULSDXJYTQHRMD-INIZCTEOSA-N 2 1 310.441 3.491 20 10 DGCDMP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC001138220675 1091119979 /nfs/dbraw/zinc/11/99/79/1091119979.db2.gz MAMSWYIXGVPVLI-QUCCMNQESA-N 2 1 313.489 3.203 20 10 DGCDMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC001138220675 1091119982 /nfs/dbraw/zinc/11/99/82/1091119982.db2.gz MAMSWYIXGVPVLI-QUCCMNQESA-N 2 1 313.489 3.203 20 10 DGCDMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCC1(F)F ZINC001205763855 1091336595 /nfs/dbraw/zinc/33/65/95/1091336595.db2.gz SHLUHGVDYCHBIB-MRXNPFEDSA-N 2 1 323.431 3.093 20 10 DGCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCC1(F)F ZINC001205763855 1091336609 /nfs/dbraw/zinc/33/66/09/1091336609.db2.gz SHLUHGVDYCHBIB-MRXNPFEDSA-N 2 1 323.431 3.093 20 10 DGCDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCC1(F)F ZINC001205763852 1091337355 /nfs/dbraw/zinc/33/73/55/1091337355.db2.gz SHLUHGVDYCHBIB-INIZCTEOSA-N 2 1 323.431 3.093 20 10 DGCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCC1(F)F ZINC001205763852 1091337364 /nfs/dbraw/zinc/33/73/64/1091337364.db2.gz SHLUHGVDYCHBIB-INIZCTEOSA-N 2 1 323.431 3.093 20 10 DGCDMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817852 1091364290 /nfs/dbraw/zinc/36/42/90/1091364290.db2.gz RPXRHJOUSMIICY-VQIMIIECSA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817852 1091364304 /nfs/dbraw/zinc/36/43/04/1091364304.db2.gz RPXRHJOUSMIICY-VQIMIIECSA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001205904957 1091403662 /nfs/dbraw/zinc/40/36/62/1091403662.db2.gz YUAFNBPIKTXGIK-HOTGVXAUSA-N 2 1 311.473 3.465 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCC[C@H]1C[NH3+] ZINC001205992043 1091439241 /nfs/dbraw/zinc/43/92/41/1091439241.db2.gz CYLFGVZSNZFTEO-HKUYNNGSSA-N 2 1 315.505 3.484 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CCC[C@H]1C[NH3+] ZINC001206026840 1091457843 /nfs/dbraw/zinc/45/78/43/1091457843.db2.gz UIDLYTIBRZSFHV-RYUDHWBXSA-N 2 1 316.367 3.218 20 10 DGCDMP COc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256271 1091501311 /nfs/dbraw/zinc/50/13/11/1091501311.db2.gz XQHFRXTVWKBAQT-JKSUJKDBSA-N 2 1 318.461 3.084 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139255248 1091501573 /nfs/dbraw/zinc/50/15/73/1091501573.db2.gz OMRLRZZXBLQKBE-HUUCEWRRSA-N 2 1 320.477 3.330 20 10 DGCDMP COc1cc(C[N@H+]2CCCCC[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139257056 1091502236 /nfs/dbraw/zinc/50/22/36/1091502236.db2.gz QBCLNMYWIJFVBJ-AWEZNQCLSA-N 2 1 306.450 3.227 20 10 DGCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@@H]1F ZINC001206201819 1091531977 /nfs/dbraw/zinc/53/19/77/1091531977.db2.gz YZWAOVUGQYUFLD-ZWKOTPCHSA-N 2 1 314.404 3.320 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC34CCCCC4)cc2)CC1 ZINC001139407931 1091551891 /nfs/dbraw/zinc/55/18/91/1091551891.db2.gz GTDNSSLQGWJVGA-UHFFFAOYSA-N 2 1 313.489 3.347 20 10 DGCDMP Cc1cccc2c1C[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001139408347 1091552353 /nfs/dbraw/zinc/55/23/53/1091552353.db2.gz KKJCTHGYTUJLLB-UHFFFAOYSA-N 2 1 321.468 3.263 20 10 DGCDMP CN1CCCc2cc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)ccc21 ZINC001206304556 1091572015 /nfs/dbraw/zinc/57/20/15/1091572015.db2.gz MMLQKPKEEYNFDG-IBGZPJMESA-N 2 1 301.478 3.020 20 10 DGCDMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001206317832 1091577866 /nfs/dbraw/zinc/57/78/66/1091577866.db2.gz JMPZWQPDOOVHPV-OAHLLOKOSA-N 2 1 316.367 3.362 20 10 DGCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001206317832 1091577873 /nfs/dbraw/zinc/57/78/73/1091577873.db2.gz JMPZWQPDOOVHPV-OAHLLOKOSA-N 2 1 316.367 3.362 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(OC)c1 ZINC001206769775 1091733278 /nfs/dbraw/zinc/73/32/78/1091733278.db2.gz QGFPXQXBFULJOR-HOTGVXAUSA-N 2 1 319.493 3.101 20 10 DGCDMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001206770072 1091733789 /nfs/dbraw/zinc/73/37/89/1091733789.db2.gz QIJDBNRHYAFBGI-JKSUJKDBSA-N 2 1 311.473 3.465 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)c2c1 ZINC001206805711 1091747592 /nfs/dbraw/zinc/74/75/92/1091747592.db2.gz CRQVZALISDXYQH-KBPBESRZSA-N 2 1 314.429 3.113 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CC3CCC3)cc2)CC1 ZINC001140303810 1091819661 /nfs/dbraw/zinc/81/96/61/1091819661.db2.gz BESUIXJLMFNWDU-UHFFFAOYSA-N 2 1 301.478 3.060 20 10 DGCDMP Cc1c(O)ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1O ZINC001140748857 1091984854 /nfs/dbraw/zinc/98/48/54/1091984854.db2.gz MSFLRXOEEYSGSH-DLBZAZTESA-N 2 1 318.461 3.245 20 10 DGCDMP Cc1c(O)ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1O ZINC001140748857 1091984860 /nfs/dbraw/zinc/98/48/60/1091984860.db2.gz MSFLRXOEEYSGSH-DLBZAZTESA-N 2 1 318.461 3.245 20 10 DGCDMP Cc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1O ZINC001140748857 1091984866 /nfs/dbraw/zinc/98/48/66/1091984866.db2.gz MSFLRXOEEYSGSH-DLBZAZTESA-N 2 1 318.461 3.245 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)CC1(C)CC[NH+](C)CC1 ZINC001208105803 1092197369 /nfs/dbraw/zinc/19/73/69/1092197369.db2.gz CQTAGHBMGOLFLS-UHFFFAOYSA-N 2 1 315.505 3.451 20 10 DGCDMP CC(C)[NH2+]C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001337026152 1094821170 /nfs/dbraw/zinc/82/11/70/1094821170.db2.gz NSXKSOUQEMOQFV-UHFFFAOYSA-N 2 1 301.478 3.249 20 10 DGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001222277396 1095526356 /nfs/dbraw/zinc/52/63/56/1095526356.db2.gz NJKOPPCVYHZMKI-LJQANCHMSA-N 2 1 302.462 3.481 20 10 DGCDMP C[C@H]([N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1(C)CC1 ZINC001116449155 1095559920 /nfs/dbraw/zinc/55/99/20/1095559920.db2.gz GEPCVGDSSNTUKC-HNNXBMFYSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@H]([N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1(C)CC1 ZINC001116449155 1095559932 /nfs/dbraw/zinc/55/99/32/1095559932.db2.gz GEPCVGDSSNTUKC-HNNXBMFYSA-N 2 1 319.468 3.198 20 10 DGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC001116565796 1095601918 /nfs/dbraw/zinc/60/19/18/1095601918.db2.gz XDISXFBNVGBZRE-UMVBOHGHSA-N 2 1 306.425 3.401 20 10 DGCDMP Cc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)ccc1N(C)C ZINC001139669777 1095612730 /nfs/dbraw/zinc/61/27/30/1095612730.db2.gz MXRUECPRNXZCFL-UHFFFAOYSA-N 2 1 301.478 3.121 20 10 DGCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)(C)C ZINC001117748317 1095829851 /nfs/dbraw/zinc/82/98/51/1095829851.db2.gz WHFDIOZWSZTFQQ-UHFFFAOYSA-N 2 1 307.457 3.198 20 10 DGCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)(C)C ZINC001117748317 1095829872 /nfs/dbraw/zinc/82/98/72/1095829872.db2.gz WHFDIOZWSZTFQQ-UHFFFAOYSA-N 2 1 307.457 3.198 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001118016085 1095923016 /nfs/dbraw/zinc/92/30/16/1095923016.db2.gz TURIBAFLHHTUCO-UYAOXDASSA-N 2 1 313.489 3.251 20 10 DGCDMP Oc1ccc2ccccc2c1C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001231588177 1097785194 /nfs/dbraw/zinc/78/51/94/1097785194.db2.gz SYCAKTQVOISUHE-UHFFFAOYSA-N 2 1 322.452 3.463 20 10 DGCDMP Oc1ccc2ccccc2c1C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001231588177 1097785199 /nfs/dbraw/zinc/78/51/99/1097785199.db2.gz SYCAKTQVOISUHE-UHFFFAOYSA-N 2 1 322.452 3.463 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC001234997701 1098740642 /nfs/dbraw/zinc/74/06/42/1098740642.db2.gz DOSZYFMSCPTTAP-LJQANCHMSA-N 2 1 302.462 3.265 20 10 DGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001206326976 1098803810 /nfs/dbraw/zinc/80/38/10/1098803810.db2.gz RBUIFZKFOFOFJA-HNNXBMFYSA-N 2 1 300.805 3.136 20 10 DGCDMP Cc1cc(F)cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1O ZINC001235153126 1098840457 /nfs/dbraw/zinc/84/04/57/1098840457.db2.gz FCOAVAIQAUAEFX-KRWDZBQOSA-N 2 1 306.425 3.194 20 10 DGCDMP Oc1ccc(F)c(F)c1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235160718 1098846445 /nfs/dbraw/zinc/84/64/45/1098846445.db2.gz QKJJAXCAGINRGQ-HNNXBMFYSA-N 2 1 310.388 3.025 20 10 DGCDMP Oc1ccc(F)c(F)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235160718 1098846459 /nfs/dbraw/zinc/84/64/59/1098846459.db2.gz QKJJAXCAGINRGQ-HNNXBMFYSA-N 2 1 310.388 3.025 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235170340 1098851994 /nfs/dbraw/zinc/85/19/94/1098851994.db2.gz FMJUBRPLCXMHFX-HXUWFJFHSA-N 2 1 313.489 3.395 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235170340 1098852004 /nfs/dbraw/zinc/85/20/04/1098852004.db2.gz FMJUBRPLCXMHFX-HXUWFJFHSA-N 2 1 313.489 3.395 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235269184 1098940433 /nfs/dbraw/zinc/94/04/33/1098940433.db2.gz LJSJNLKUUWYQKA-QUCCMNQESA-N 2 1 309.457 3.278 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1O ZINC001235408099 1099005435 /nfs/dbraw/zinc/00/54/35/1099005435.db2.gz UAGQBIIKYSABHH-QFBILLFUSA-N 2 1 320.452 3.213 20 10 DGCDMP c1ccc2c(c1)CCC[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235835522 1099201208 /nfs/dbraw/zinc/20/12/08/1099201208.db2.gz WLEPUFAJXAZAHG-UHFFFAOYSA-N 2 1 321.468 3.045 20 10 DGCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)CC1CCCCC1 ZINC001235961111 1099294307 /nfs/dbraw/zinc/29/43/07/1099294307.db2.gz ZXDFVPMLWILJLQ-UHFFFAOYSA-N 2 1 301.478 3.108 20 10 DGCDMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001236049577 1099351240 /nfs/dbraw/zinc/35/12/40/1099351240.db2.gz FXCVZZZWRCIVTC-FZKQIMNGSA-N 2 1 314.404 3.367 20 10 DGCDMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001236049577 1099351248 /nfs/dbraw/zinc/35/12/48/1099351248.db2.gz FXCVZZZWRCIVTC-FZKQIMNGSA-N 2 1 314.404 3.367 20 10 DGCDMP C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220445 1099478289 /nfs/dbraw/zinc/47/82/89/1099478289.db2.gz ZFCHZGNVENKZGW-HOTGVXAUSA-N 2 1 316.445 3.278 20 10 DGCDMP C[N@@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236220445 1099478291 /nfs/dbraw/zinc/47/82/91/1099478291.db2.gz ZFCHZGNVENKZGW-HOTGVXAUSA-N 2 1 316.445 3.278 20 10 DGCDMP Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c(O)c1 ZINC001236300733 1099523001 /nfs/dbraw/zinc/52/30/01/1099523001.db2.gz XUFWTAOEBNHYME-UHFFFAOYSA-N 2 1 310.441 3.455 20 10 DGCDMP Oc1cccc(F)c1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375148 1099560092 /nfs/dbraw/zinc/56/00/92/1099560092.db2.gz XFBFDYXDXVYBSV-AWEZNQCLSA-N 2 1 306.425 3.276 20 10 DGCDMP Oc1cccc(F)c1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375148 1099560104 /nfs/dbraw/zinc/56/01/04/1099560104.db2.gz XFBFDYXDXVYBSV-AWEZNQCLSA-N 2 1 306.425 3.276 20 10 DGCDMP CCC[N@H+](Cc1ccc(N(CC)CC)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236835375 1099821620 /nfs/dbraw/zinc/82/16/20/1099821620.db2.gz MKADTBBCCGSOCJ-GOSISDBHSA-N 2 1 303.494 3.354 20 10 DGCDMP CCC[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236835698 1099822616 /nfs/dbraw/zinc/82/26/16/1099822616.db2.gz OYRIUWRVPVQGMT-LJQANCHMSA-N 2 1 315.505 3.498 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C1CCCCC1 ZINC001236931253 1099880473 /nfs/dbraw/zinc/88/04/73/1099880473.db2.gz IEGSLNWOQPYTKX-UHFFFAOYSA-N 2 1 319.468 3.342 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1O ZINC001237408160 1100116061 /nfs/dbraw/zinc/11/60/61/1100116061.db2.gz YYZOSOIEPIIHDK-YOEHRIQHSA-N 2 1 302.462 3.264 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237418595 1100121738 /nfs/dbraw/zinc/12/17/38/1100121738.db2.gz XPKLHXSQEYNDQU-YOEHRIQHSA-N 2 1 302.462 3.264 20 10 DGCDMP C[NH+]1CCC2(CC[N@H+](Cc3cc(F)c(Cl)cc3O)C2)CC1 ZINC001237948263 1100299541 /nfs/dbraw/zinc/29/95/41/1100299541.db2.gz BOZALOQIACOAGZ-UHFFFAOYSA-N 2 1 312.816 3.102 20 10 DGCDMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(F)c(Cl)cc3O)C2)CC1 ZINC001237948263 1100299547 /nfs/dbraw/zinc/29/95/47/1100299547.db2.gz BOZALOQIACOAGZ-UHFFFAOYSA-N 2 1 312.816 3.102 20 10 DGCDMP CCOc1cccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1O ZINC001275270546 1104698946 /nfs/dbraw/zinc/69/89/46/1104698946.db2.gz KKUIVOMVDBTWEH-UHFFFAOYSA-N 2 1 318.461 3.099 20 10 DGCDMP C[N@H+]1CCCC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1 ZINC001275275853 1104700308 /nfs/dbraw/zinc/70/03/08/1104700308.db2.gz REIUKGPLRJCXNP-UHFFFAOYSA-N 2 1 308.853 3.353 20 10 DGCDMP Cc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)ccc1N(C)C ZINC001275361354 1104736227 /nfs/dbraw/zinc/73/62/27/1104736227.db2.gz SUDXAZSCMGXXDF-UHFFFAOYSA-N 2 1 315.505 3.369 20 10 DGCDMP CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320422151 1107000206 /nfs/dbraw/zinc/00/02/06/1107000206.db2.gz BPIVKUYZBMAGMG-CRAIPNDOSA-N 2 1 319.468 3.198 20 10 DGCDMP CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320422151 1107000222 /nfs/dbraw/zinc/00/02/22/1107000222.db2.gz BPIVKUYZBMAGMG-CRAIPNDOSA-N 2 1 319.468 3.198 20 10 DGCDMP CC(C)=CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321027139 1107224927 /nfs/dbraw/zinc/22/49/27/1107224927.db2.gz CIRUIJOVXMDCPS-UHFFFAOYSA-N 2 1 305.441 3.023 20 10 DGCDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186397 1107355763 /nfs/dbraw/zinc/35/57/63/1107355763.db2.gz FWKYBICKVSEDPM-UYAOXDASSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186397 1107355782 /nfs/dbraw/zinc/35/57/82/1107355782.db2.gz FWKYBICKVSEDPM-UYAOXDASSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186397 1107355795 /nfs/dbraw/zinc/35/57/95/1107355795.db2.gz FWKYBICKVSEDPM-UYAOXDASSA-N 2 1 313.489 3.203 20 10 DGCDMP CC(C)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001324716996 1108440085 /nfs/dbraw/zinc/44/00/85/1108440085.db2.gz VKRHAKQKMZXANK-UHFFFAOYSA-N 2 1 319.468 3.198 20 10 DGCDMP CC(C)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001324716996 1108440090 /nfs/dbraw/zinc/44/00/90/1108440090.db2.gz VKRHAKQKMZXANK-UHFFFAOYSA-N 2 1 319.468 3.198 20 10 DGCDMP CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319707755 1108602806 /nfs/dbraw/zinc/60/28/06/1108602806.db2.gz XSRWGKHNYBYMFY-WBVHZDCISA-N 2 1 319.468 3.198 20 10 DGCDMP CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319707755 1108602811 /nfs/dbraw/zinc/60/28/11/1108602811.db2.gz XSRWGKHNYBYMFY-WBVHZDCISA-N 2 1 319.468 3.198 20 10 DGCDMP CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319707755 1108602817 /nfs/dbraw/zinc/60/28/17/1108602817.db2.gz XSRWGKHNYBYMFY-WBVHZDCISA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2O)C1 ZINC000179564242 432063163 /nfs/dbraw/zinc/06/31/63/432063163.db2.gz MVNYOMITPIQXIU-IAGOWNOFSA-N 2 1 302.462 3.479 20 10 DGCDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179564242 432063165 /nfs/dbraw/zinc/06/31/65/432063165.db2.gz MVNYOMITPIQXIU-IAGOWNOFSA-N 2 1 302.462 3.479 20 10 DGCDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179564242 432063166 /nfs/dbraw/zinc/06/31/66/432063166.db2.gz MVNYOMITPIQXIU-IAGOWNOFSA-N 2 1 302.462 3.479 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000179837630 432072004 /nfs/dbraw/zinc/07/20/04/432072004.db2.gz XDKYGNXPCWWDOV-UHFFFAOYSA-N 2 1 303.494 3.495 20 10 DGCDMP Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066891 193151374 /nfs/dbraw/zinc/15/13/74/193151374.db2.gz IHJVOQNQAQSWPK-QAPCUYQASA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092066891 193151376 /nfs/dbraw/zinc/15/13/76/193151376.db2.gz IHJVOQNQAQSWPK-QAPCUYQASA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092066891 193151378 /nfs/dbraw/zinc/15/13/78/193151378.db2.gz IHJVOQNQAQSWPK-QAPCUYQASA-N 2 1 300.446 3.149 20 10 DGCDMP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1O ZINC000287355509 131276555 /nfs/dbraw/zinc/27/65/55/131276555.db2.gz GYURUVMMVAZGFK-KRWDZBQOSA-N 2 1 306.425 3.446 20 10 DGCDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000161509511 278335016 /nfs/dbraw/zinc/33/50/16/278335016.db2.gz IENXTPRZMQNTKJ-MRXNPFEDSA-N 2 1 301.478 3.422 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563845 431916093 /nfs/dbraw/zinc/91/60/93/431916093.db2.gz GVUWRNONDFQPRC-INIZCTEOSA-N 2 1 308.853 3.496 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093563845 431916094 /nfs/dbraw/zinc/91/60/94/431916094.db2.gz GVUWRNONDFQPRC-INIZCTEOSA-N 2 1 308.853 3.496 20 10 DGCDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000124163264 431884228 /nfs/dbraw/zinc/88/42/28/431884228.db2.gz GZIIOLNVNWKHGR-GOSISDBHSA-N 2 1 301.478 3.108 20 10 DGCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152401400 432331099 /nfs/dbraw/zinc/33/10/99/432331099.db2.gz OIAZLITVAMVKEV-HOTGVXAUSA-N 2 1 301.478 3.278 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(O)c1 ZINC000290400445 433046245 /nfs/dbraw/zinc/04/62/45/433046245.db2.gz JJUAJSPHJCFYOK-MAUKXSAKSA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(O)c1 ZINC000290400445 433046250 /nfs/dbraw/zinc/04/62/50/433046250.db2.gz JJUAJSPHJCFYOK-MAUKXSAKSA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(O)c1 ZINC000290400445 433046253 /nfs/dbraw/zinc/04/62/53/433046253.db2.gz JJUAJSPHJCFYOK-MAUKXSAKSA-N 2 1 318.461 3.097 20 10 DGCDMP Oc1ccc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000131343711 526356828 /nfs/dbraw/zinc/35/68/28/526356828.db2.gz VQNWOJGJEKOSIJ-MRXNPFEDSA-N 2 1 310.441 3.463 20 10 DGCDMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1C ZINC000750827078 575754225 /nfs/dbraw/zinc/75/42/25/575754225.db2.gz VJTVNYCWBRCLNJ-WBMJQRKESA-N 2 1 322.424 3.039 20 10 DGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840891947 618147835 /nfs/dbraw/zinc/14/78/35/618147835.db2.gz GQUXUQQHQBNSRE-GFCCVEGCSA-N 2 1 307.825 3.285 20 10 DGCDMP Cc1cc([O-])c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c(Cl)c1 ZINC000840940593 618613670 /nfs/dbraw/zinc/61/36/70/618613670.db2.gz HNXJQVJDRYXMLF-CQSZACIVSA-N 2 1 318.804 3.402 20 10 DGCDMP Cc1cc([O-])c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c(Cl)c1 ZINC000840940593 618613671 /nfs/dbraw/zinc/61/36/71/618613671.db2.gz HNXJQVJDRYXMLF-CQSZACIVSA-N 2 1 318.804 3.402 20 10 DGCDMP COc1cc(C)cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1O ZINC000894179866 618725295 /nfs/dbraw/zinc/72/52/95/618725295.db2.gz HYUKMXIFFCLVKI-HNNXBMFYSA-N 2 1 320.477 3.311 20 10 DGCDMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151911500 620480555 /nfs/dbraw/zinc/48/05/55/620480555.db2.gz LAHKDTXWTDTJPZ-OAHLLOKOSA-N 2 1 307.457 3.418 20 10 DGCDMP CCCN(CCC)c1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000857784403 621118749 /nfs/dbraw/zinc/11/87/49/621118749.db2.gz ZWIVHYOYGOSAIL-UHFFFAOYSA-N 2 1 314.477 3.379 20 10 DGCDMP Cc1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)ccc1N(C)C ZINC000923293619 621173190 /nfs/dbraw/zinc/17/31/90/621173190.db2.gz ZJMGSYRCHGVWQY-UHFFFAOYSA-N 2 1 301.478 3.025 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC(C)(C)C1 ZINC000839184607 621344364 /nfs/dbraw/zinc/34/43/64/621344364.db2.gz KGMIWOOXTLZGBE-UHFFFAOYSA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2c1c(F)ccc2O ZINC000756416032 621636937 /nfs/dbraw/zinc/63/69/37/621636937.db2.gz GIIFYOKAJFILNV-COMQUAJESA-N 2 1 304.409 3.296 20 10 DGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000764966006 622236648 /nfs/dbraw/zinc/23/66/48/622236648.db2.gz WXRFIIRMTLKWMR-KFKAGJAMSA-N 2 1 301.478 3.420 20 10 DGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000764966006 622236651 /nfs/dbraw/zinc/23/66/51/622236651.db2.gz WXRFIIRMTLKWMR-KFKAGJAMSA-N 2 1 301.478 3.420 20 10 DGCDMP CCOc1cccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1O ZINC000768927216 622485631 /nfs/dbraw/zinc/48/56/31/622485631.db2.gz RIZJDHXPOVFXQF-UHFFFAOYSA-N 2 1 320.477 3.343 20 10 DGCDMP CCOc1ccc(O)c(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000769469589 622530657 /nfs/dbraw/zinc/53/06/57/622530657.db2.gz AOIRVRAZZOMTDU-HOCLYGCPSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(O)c(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000769469589 622530658 /nfs/dbraw/zinc/53/06/58/622530658.db2.gz AOIRVRAZZOMTDU-HOCLYGCPSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(O)c(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000769469589 622530660 /nfs/dbraw/zinc/53/06/60/622530660.db2.gz AOIRVRAZZOMTDU-HOCLYGCPSA-N 2 1 306.450 3.096 20 10 DGCDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000769513593 622536778 /nfs/dbraw/zinc/53/67/78/622536778.db2.gz CHKFYKNUQXBQAW-AWEZNQCLSA-N 2 1 308.853 3.209 20 10 DGCDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000769513593 622536781 /nfs/dbraw/zinc/53/67/81/622536781.db2.gz CHKFYKNUQXBQAW-AWEZNQCLSA-N 2 1 308.853 3.209 20 10 DGCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769513593 622536782 /nfs/dbraw/zinc/53/67/82/622536782.db2.gz CHKFYKNUQXBQAW-AWEZNQCLSA-N 2 1 308.853 3.209 20 10 DGCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769513593 622536784 /nfs/dbraw/zinc/53/67/84/622536784.db2.gz CHKFYKNUQXBQAW-AWEZNQCLSA-N 2 1 308.853 3.209 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000771934237 622818220 /nfs/dbraw/zinc/81/82/20/622818220.db2.gz YFBFLEXJDIKTLJ-UHFFFAOYSA-N 2 1 311.473 3.446 20 10 DGCDMP CCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000873012212 623016451 /nfs/dbraw/zinc/01/64/51/623016451.db2.gz DHZPPOSNTHMXTK-QGZVFWFLSA-N 2 1 302.462 3.358 20 10 DGCDMP C[N@@H+](Cc1ccsc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644536 623302253 /nfs/dbraw/zinc/30/22/53/623302253.db2.gz NNVGPJOCZSISOL-UHFFFAOYSA-N 2 1 315.486 3.132 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000775660239 623307547 /nfs/dbraw/zinc/30/75/47/623307547.db2.gz BAGCJBDZDROWFW-AZUAARDMSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC4(CCCC4)C3)cc2)CC1 ZINC000775690275 623314911 /nfs/dbraw/zinc/31/49/11/623314911.db2.gz OLCHXFMUPQWBHH-UHFFFAOYSA-N 2 1 313.489 3.205 20 10 DGCDMP C[C@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775998996 623362788 /nfs/dbraw/zinc/36/27/88/623362788.db2.gz UFJFFVLXGRDFAG-KRWDZBQOSA-N 2 1 301.478 3.060 20 10 DGCDMP Cc1cccc(O)c1C[N@H+](C)CCCN(C)Cc1ccco1 ZINC000877524073 623923119 /nfs/dbraw/zinc/92/31/19/623923119.db2.gz QHLZJMGJFUYYQV-UHFFFAOYSA-N 2 1 302.418 3.248 20 10 DGCDMP C[NH+](C)Cc1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882884180 625845150 /nfs/dbraw/zinc/84/51/50/625845150.db2.gz ZFJOFANCCLFLBI-UHFFFAOYSA-N 2 1 306.356 3.022 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@H]3C3CC3)cc2)CC1 ZINC000811513968 627286300 /nfs/dbraw/zinc/28/63/00/627286300.db2.gz XYSSTQNARPQMGT-LJQANCHMSA-N 2 1 313.489 3.059 20 10 DGCDMP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1O ZINC000925879465 627811298 /nfs/dbraw/zinc/81/12/98/627811298.db2.gz FIBKHJKHIWEJPE-AEJSXWLSSA-N 2 1 303.233 3.477 20 10 DGCDMP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000817953270 627973694 /nfs/dbraw/zinc/97/36/94/627973694.db2.gz YFJIBWMYPBAFSJ-PKOBYXMFSA-N 2 1 310.441 3.408 20 10 DGCDMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817959865 627975903 /nfs/dbraw/zinc/97/59/03/627975903.db2.gz JSBXDQTZNBWJAZ-HNAYVOBHSA-N 2 1 301.478 3.455 20 10 DGCDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817959861 627976136 /nfs/dbraw/zinc/97/61/36/627976136.db2.gz JSBXDQTZNBWJAZ-BEFAXECRSA-N 2 1 301.478 3.455 20 10 DGCDMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965479 627977840 /nfs/dbraw/zinc/97/78/40/627977840.db2.gz RKRBWKBORRVFBD-KXBFYZLASA-N 2 1 301.478 3.455 20 10 DGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825089575 628726349 /nfs/dbraw/zinc/72/63/49/628726349.db2.gz FUCBCWYPQMOPOP-LLVKDONJSA-N 2 1 307.825 3.285 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC000825725816 628791164 /nfs/dbraw/zinc/79/11/64/628791164.db2.gz ARFMWYHKXXWLAY-OAHLLOKOSA-N 2 1 318.804 3.402 20 10 DGCDMP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835026221 629827332 /nfs/dbraw/zinc/82/73/32/629827332.db2.gz QODGNLHRLPRZRS-IHHMQQGQSA-N 2 1 315.505 3.430 20 10 DGCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835026221 629827334 /nfs/dbraw/zinc/82/73/34/629827334.db2.gz QODGNLHRLPRZRS-IHHMQQGQSA-N 2 1 315.505 3.430 20 10 DGCDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835038580 629831258 /nfs/dbraw/zinc/83/12/58/629831258.db2.gz UBTQVEJJWAEVGR-WSSFADSRSA-N 2 1 315.505 3.476 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000835041279 629832339 /nfs/dbraw/zinc/83/23/39/629832339.db2.gz AARVGOLTIBHCBW-GHDGWMACSA-N 2 1 313.489 3.371 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835052496 629836834 /nfs/dbraw/zinc/83/68/34/629836834.db2.gz DPFWROYBOGXRIB-FNORWQNLSA-N 2 1 312.461 3.293 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835052496 629836836 /nfs/dbraw/zinc/83/68/36/629836836.db2.gz DPFWROYBOGXRIB-FNORWQNLSA-N 2 1 312.461 3.293 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000835062862 629841550 /nfs/dbraw/zinc/84/15/50/629841550.db2.gz FTRCPUFPQUNMBH-VOTSOKGWSA-N 2 1 301.478 3.230 20 10 DGCDMP COc1cc(Cl)cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1O ZINC000835063302 629841590 /nfs/dbraw/zinc/84/15/90/629841590.db2.gz JSRKPSKOEGIDGZ-UHFFFAOYSA-N 2 1 312.841 3.018 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH2+]CCCC[N@@H+](C)C2CC2)cc1 ZINC000835062860 629841853 /nfs/dbraw/zinc/84/18/53/629841853.db2.gz FTRCPUFPQUNMBH-SREVYHEPSA-N 2 1 301.478 3.230 20 10 DGCDMP Cc1cc([O-])c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c(Cl)c1 ZINC000840911137 630376772 /nfs/dbraw/zinc/37/67/72/630376772.db2.gz QQTLBSURCCPKNF-LBPRGKRZSA-N 2 1 305.809 3.457 20 10 DGCDMP Cc1cc([O-])c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c(Cl)c1 ZINC000840911137 630376775 /nfs/dbraw/zinc/37/67/75/630376775.db2.gz QQTLBSURCCPKNF-LBPRGKRZSA-N 2 1 305.809 3.457 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000841087459 630405867 /nfs/dbraw/zinc/40/58/67/630405867.db2.gz NWNXDBPYONRKDA-YHTLKTDXSA-N 2 1 313.489 3.230 20 10 DGCDMP CCC[N@@H+](Cc1ccc(N(CC)CC)cc1)C1CC[NH2+]CC1 ZINC000843045420 630608142 /nfs/dbraw/zinc/60/81/42/630608142.db2.gz XMLUWZCIKMRVRC-UHFFFAOYSA-N 2 1 303.494 3.497 20 10 DGCDMP Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126046 630616262 /nfs/dbraw/zinc/61/62/62/630616262.db2.gz FFULDVJIRJXCNT-UONOGXRCSA-N 2 1 308.853 3.257 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000843125731 630616319 /nfs/dbraw/zinc/61/63/19/630616319.db2.gz GKKMLMPQVDXSSV-RBUKOAKNSA-N 2 1 315.505 3.354 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126111 630616516 /nfs/dbraw/zinc/61/65/16/630616516.db2.gz GOBXQBFZQUKBRU-ZIAGYGMSSA-N 2 1 308.853 3.257 20 10 DGCDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(N2CCCCC2)cc1 ZINC000844220912 630712699 /nfs/dbraw/zinc/71/26/99/630712699.db2.gz PAHKDANCEUQIAT-UHFFFAOYSA-N 2 1 315.505 3.498 20 10 DGCDMP C[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1CC[NH3+] ZINC000844900684 630970281 /nfs/dbraw/zinc/97/02/81/630970281.db2.gz CQEYFWAGPMEDNQ-GWCFXTLKSA-N 2 1 300.805 3.134 20 10 DGCDMP CCc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1O ZINC000848880706 631768242 /nfs/dbraw/zinc/76/82/42/631768242.db2.gz IZCAMFDEJGOAAP-UHFFFAOYSA-N 2 1 302.462 3.405 20 10 DGCDMP Cc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1O ZINC000793239173 661016401 /nfs/dbraw/zinc/01/64/01/661016401.db2.gz DDFITOOVZJNTST-BGYRXZFFSA-N 2 1 322.452 3.264 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CC3CC3)C3CCC3)cc2)CC1 ZINC000793393561 661029630 /nfs/dbraw/zinc/02/96/30/661029630.db2.gz HVEPSDRLKIPJOB-UHFFFAOYSA-N 2 1 313.489 3.203 20 10 DGCDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)CC1 ZINC000180001327 659949366 /nfs/dbraw/zinc/94/93/66/659949366.db2.gz VXJMLLBJPZWCBY-INIZCTEOSA-N 2 1 320.452 3.475 20 10 DGCDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)CC1 ZINC000180001327 659949369 /nfs/dbraw/zinc/94/93/69/659949369.db2.gz VXJMLLBJPZWCBY-INIZCTEOSA-N 2 1 320.452 3.475 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000158005917 661869746 /nfs/dbraw/zinc/86/97/46/661869746.db2.gz OBEOGCUBYCVCNB-VQIMIIECSA-N 2 1 314.473 3.458 20 10 DGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3O)CCCC4)CC[C@H]21 ZINC000245547881 662236100 /nfs/dbraw/zinc/23/61/00/662236100.db2.gz WSYMHDFXUPCKEP-IEBWSBKVSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CC[C@H]21 ZINC000245547881 662236102 /nfs/dbraw/zinc/23/61/02/662236102.db2.gz WSYMHDFXUPCKEP-IEBWSBKVSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCCC4)CC[C@H]21 ZINC000245547881 662236104 /nfs/dbraw/zinc/23/61/04/662236104.db2.gz WSYMHDFXUPCKEP-IEBWSBKVSA-N 2 1 314.473 3.187 20 10 DGCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(O)ccc4ccccc43)CC[C@H]21 ZINC000247111378 662300916 /nfs/dbraw/zinc/30/09/16/662300916.db2.gz QQFCNDVOSPAYRZ-QFBILLFUSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CC[C@H]21 ZINC000247111378 662300917 /nfs/dbraw/zinc/30/09/17/662300917.db2.gz QQFCNDVOSPAYRZ-QFBILLFUSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CC[C@H]21 ZINC000247111378 662300918 /nfs/dbraw/zinc/30/09/18/662300918.db2.gz QQFCNDVOSPAYRZ-QFBILLFUSA-N 2 1 310.441 3.462 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC001620964972 1192681794 /nfs/dbraw/zinc/68/17/94/1192681794.db2.gz MYNCFHVVRGSYOZ-INIZCTEOSA-N 2 1 321.484 3.493 20 10 DGCDMP Nc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC001356082671 1181138687 /nfs/dbraw/zinc/13/86/87/1181138687.db2.gz BOQVVVNFFKDQEU-QFBILLFUSA-N 2 1 301.478 3.388 20 10 DGCDMP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001474070105 1183861363 /nfs/dbraw/zinc/86/13/63/1183861363.db2.gz DZTYSYZKRMHOEH-SJLPKXTDSA-N 2 1 319.468 3.246 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)cc1 ZINC001654837236 1195845577 /nfs/dbraw/zinc/84/55/77/1195845577.db2.gz AXQZAZZUWANPMP-KRWDZBQOSA-N 2 1 324.472 3.248 20 10 DGCDMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001656750117 1196067915 /nfs/dbraw/zinc/06/79/15/1196067915.db2.gz QULPYMKFYAZALE-WBVHZDCISA-N 2 1 319.468 3.246 20 10 DGCDMP COc1cc(C)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(O)c1 ZINC001657636330 1196163561 /nfs/dbraw/zinc/16/35/61/1196163561.db2.gz JOUDGISCSWCMAC-UHFFFAOYSA-N 2 1 306.450 3.014 20 10 DGCDMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc3c(c2)CCCN3C)CC1 ZINC000316813513 1199817983 /nfs/dbraw/zinc/81/79/83/1199817983.db2.gz FOJUFTXOBNEDGO-UHFFFAOYSA-N 2 1 301.478 3.031 20 10 DGCDMP CC[NH+](CC)C1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000164357806 1203644663 /nfs/dbraw/zinc/64/46/63/1203644663.db2.gz QWJWGOZJEUZUSV-UHFFFAOYSA-N 2 1 306.450 3.015 20 10 DGCDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001203674882 1090778245 /nfs/dbraw/zinc/77/82/45/1090778245.db2.gz FCEBLVJJKHXHAQ-QGZVFWFLSA-N 2 1 318.461 3.241 20 10 DGCDMP Cc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1N(C)C ZINC001204735164 1091025590 /nfs/dbraw/zinc/02/55/90/1091025590.db2.gz MLOQMVROOJKJSP-UHFFFAOYSA-N 2 1 301.478 3.027 20 10 DGCDMP c1ccc([C@@H]2CC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001205340169 1091193558 /nfs/dbraw/zinc/19/35/58/1091193558.db2.gz PRSNNBRQCRVCGP-HXUWFJFHSA-N 2 1 321.468 3.086 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1 ZINC001205546634 1091249583 /nfs/dbraw/zinc/24/95/83/1091249583.db2.gz XOHXRGSSRNDNSA-SFHVURJKSA-N 2 1 307.457 3.186 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1C[NH3+] ZINC001205602670 1091274437 /nfs/dbraw/zinc/27/44/37/1091274437.db2.gz LGIUPIHPFNXFKC-AEFFLSMTSA-N 2 1 301.478 3.094 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205603496 1091275257 /nfs/dbraw/zinc/27/52/57/1091275257.db2.gz PGWXXDJFFQEEAE-WMZOPIPTSA-N 2 1 303.494 3.340 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1C[NH3+] ZINC001205616823 1091281752 /nfs/dbraw/zinc/28/17/52/1091281752.db2.gz HBWSTUWBUBEBGY-IEBWSBKVSA-N 2 1 315.505 3.484 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)CC[C@H]1C[NH3+] ZINC001205626296 1091285578 /nfs/dbraw/zinc/28/55/78/1091285578.db2.gz FNAUXLQFRZFSPD-KBPBESRZSA-N 2 1 309.885 3.213 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205991480 1091439492 /nfs/dbraw/zinc/43/94/92/1091439492.db2.gz BAOLFNIEIWFNHQ-SJLPKXTDSA-N 2 1 303.494 3.340 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@H]1C[NH3+] ZINC001206012509 1091449292 /nfs/dbraw/zinc/44/92/92/1091449292.db2.gz MAFGOEPVORPYPQ-GJZGRUSLSA-N 2 1 304.478 3.497 20 10 DGCDMP C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CCC[C@H]1C[NH3+] ZINC001206024565 1091455131 /nfs/dbraw/zinc/45/51/31/1091455131.db2.gz KDUTZMSWQOLZGU-NEPJUHHUSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCC[C@H]1C[NH3+] ZINC001206024565 1091455135 /nfs/dbraw/zinc/45/51/35/1091455135.db2.gz KDUTZMSWQOLZGU-NEPJUHHUSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@H]1[NH3+] ZINC001206050010 1091471050 /nfs/dbraw/zinc/47/10/50/1091471050.db2.gz XCQHYCHIAOIGCF-FZKQIMNGSA-N 2 1 314.404 3.367 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@H]1[NH3+] ZINC001206050010 1091471059 /nfs/dbraw/zinc/47/10/59/1091471059.db2.gz XCQHYCHIAOIGCF-FZKQIMNGSA-N 2 1 314.404 3.367 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc(C[NH+](C)C)c1O ZINC001139258051 1091502298 /nfs/dbraw/zinc/50/22/98/1091502298.db2.gz KVIFUGSSTRYAFP-DOTOQJQBSA-N 2 1 318.461 3.227 20 10 DGCDMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001206317831 1091576399 /nfs/dbraw/zinc/57/63/99/1091576399.db2.gz JMPZWQPDOOVHPV-HNNXBMFYSA-N 2 1 316.367 3.362 20 10 DGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001206317831 1091576404 /nfs/dbraw/zinc/57/64/04/1091576404.db2.gz JMPZWQPDOOVHPV-HNNXBMFYSA-N 2 1 316.367 3.362 20 10 DGCDMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001206344455 1091587615 /nfs/dbraw/zinc/58/76/15/1091587615.db2.gz SHCFXPZLVHWSQE-IBGZPJMESA-N 2 1 319.468 3.330 20 10 DGCDMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001206344455 1091587623 /nfs/dbraw/zinc/58/76/23/1091587623.db2.gz SHCFXPZLVHWSQE-IBGZPJMESA-N 2 1 319.468 3.330 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@H+]3CCCC[C@@H](C[NH3+])C3)c2c1 ZINC001206639903 1092879661 /nfs/dbraw/zinc/87/96/61/1092879661.db2.gz GEPMFMZEWNCQJX-AWEZNQCLSA-N 2 1 314.429 3.115 20 10 DGCDMP COc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1O ZINC001222161567 1095466496 /nfs/dbraw/zinc/46/64/96/1095466496.db2.gz PJNCTYXBTNSWTQ-LJQANCHMSA-N 2 1 318.461 3.147 20 10 DGCDMP COc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(O)c1 ZINC001222162020 1095469508 /nfs/dbraw/zinc/46/95/08/1095469508.db2.gz WJPCRXCFYYEXMQ-IBGZPJMESA-N 2 1 318.461 3.147 20 10 DGCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(C)(C)C ZINC001116440512 1095550291 /nfs/dbraw/zinc/55/02/91/1095550291.db2.gz KKLFBKOSEGFNOR-UHFFFAOYSA-N 2 1 307.457 3.055 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(C)(C)C ZINC001116440512 1095550303 /nfs/dbraw/zinc/55/03/03/1095550303.db2.gz KKLFBKOSEGFNOR-UHFFFAOYSA-N 2 1 307.457 3.055 20 10 DGCDMP C[C@@H]([N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1(C)CC1 ZINC001116449156 1095558949 /nfs/dbraw/zinc/55/89/49/1095558949.db2.gz GEPCVGDSSNTUKC-OAHLLOKOSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@@H]([N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1(C)CC1 ZINC001116449156 1095558960 /nfs/dbraw/zinc/55/89/60/1095558960.db2.gz GEPCVGDSSNTUKC-OAHLLOKOSA-N 2 1 319.468 3.198 20 10 DGCDMP Oc1c(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001222476634 1095634692 /nfs/dbraw/zinc/63/46/92/1095634692.db2.gz AWFRWHWRGSDKJT-FQEVSTJZSA-N 2 1 308.425 3.387 20 10 DGCDMP Oc1c(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cccc1-c1ccccc1 ZINC001222476634 1095634694 /nfs/dbraw/zinc/63/46/94/1095634694.db2.gz AWFRWHWRGSDKJT-FQEVSTJZSA-N 2 1 308.425 3.387 20 10 DGCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322553600 1096729285 /nfs/dbraw/zinc/72/92/85/1096729285.db2.gz BPUNGLOXQYPGPE-IXIBIKRGSA-N 2 1 300.446 3.464 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)c2ccccc21 ZINC001206167022 1097193084 /nfs/dbraw/zinc/19/30/84/1097193084.db2.gz WAQLGYHBIAZLGY-ZWKOTPCHSA-N 2 1 315.436 3.167 20 10 DGCDMP CN(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c2ccccc21 ZINC001206167022 1097193087 /nfs/dbraw/zinc/19/30/87/1097193087.db2.gz WAQLGYHBIAZLGY-ZWKOTPCHSA-N 2 1 315.436 3.167 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c2ccccc21 ZINC001206167022 1097193092 /nfs/dbraw/zinc/19/30/92/1097193092.db2.gz WAQLGYHBIAZLGY-ZWKOTPCHSA-N 2 1 315.436 3.167 20 10 DGCDMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)Cc2ccccc2O)c1 ZINC001232149358 1097951323 /nfs/dbraw/zinc/95/13/23/1097951323.db2.gz NHVSSHPMPVFGQF-UHFFFAOYSA-N 2 1 302.393 3.225 20 10 DGCDMP C[N@H+](Cc1cc(C(C)(C)C)ccc1O)CC1CC[NH+](C)CC1 ZINC001233286343 1098275645 /nfs/dbraw/zinc/27/56/45/1098275645.db2.gz PLORRRHFUBROFR-UHFFFAOYSA-N 2 1 304.478 3.463 20 10 DGCDMP Oc1c(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cccc1-c1ccccc1 ZINC001235111626 1098813460 /nfs/dbraw/zinc/81/34/60/1098813460.db2.gz SCIBAXGYIWNNOO-FQEVSTJZSA-N 2 1 308.425 3.387 20 10 DGCDMP Oc1c(C[N@H+]2CCC[C@@]23CC[NH2+]C3)cccc1-c1ccccc1 ZINC001235111626 1098813475 /nfs/dbraw/zinc/81/34/75/1098813475.db2.gz SCIBAXGYIWNNOO-FQEVSTJZSA-N 2 1 308.425 3.387 20 10 DGCDMP Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(C)n1-c1ccccc1 ZINC001235241054 1098913250 /nfs/dbraw/zinc/91/32/50/1098913250.db2.gz QQWFQJNOBWOFIZ-UYAOXDASSA-N 2 1 309.457 3.407 20 10 DGCDMP Cc1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(C)n1-c1ccccc1 ZINC001235241054 1098913253 /nfs/dbraw/zinc/91/32/53/1098913253.db2.gz QQWFQJNOBWOFIZ-UYAOXDASSA-N 2 1 309.457 3.407 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1 ZINC001235400226 1098995415 /nfs/dbraw/zinc/99/54/15/1098995415.db2.gz CRIYVJBBLBAXAM-MJGOQNOKSA-N 2 1 320.452 3.213 20 10 DGCDMP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1O ZINC001235428660 1099021918 /nfs/dbraw/zinc/02/19/18/1099021918.db2.gz OSGWSZSAGPOJDG-DLBZAZTESA-N 2 1 302.462 3.221 20 10 DGCDMP C[N@@H+](CCCc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235670519 1099114690 /nfs/dbraw/zinc/11/46/90/1099114690.db2.gz UCOBLGJAKPWZFZ-UHFFFAOYSA-N 2 1 323.484 3.161 20 10 DGCDMP C[NH2+]CC1CC[NH+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001235679814 1099122660 /nfs/dbraw/zinc/12/26/60/1099122660.db2.gz OBIHZXDEKVQNMM-UHFFFAOYSA-N 2 1 303.233 3.130 20 10 DGCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001235857426 1099218977 /nfs/dbraw/zinc/21/89/77/1099218977.db2.gz XETIXRWPLSXVKL-MOPGFXCFSA-N 2 1 313.489 3.108 20 10 DGCDMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c(C)n1-c1ccccc1 ZINC001235928543 1099265725 /nfs/dbraw/zinc/26/57/25/1099265725.db2.gz AGXYRZQOCFUJAN-HKUYNNGSSA-N 2 1 309.457 3.135 20 10 DGCDMP CC(C)(C)c1cc(O)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1Cl ZINC001235936106 1099269643 /nfs/dbraw/zinc/26/96/43/1099269643.db2.gz HTEBVWQSNUPRCT-TZMCWYRMSA-N 2 1 322.880 3.384 20 10 DGCDMP CCc1ccc(C[N@@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001235959270 1099292200 /nfs/dbraw/zinc/29/22/00/1099292200.db2.gz FZGVYXCJIDDKJZ-UHFFFAOYSA-N 2 1 323.484 3.291 20 10 DGCDMP C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236071239 1099370518 /nfs/dbraw/zinc/37/05/18/1099370518.db2.gz HLMVPDIAMIJOTR-KRWDZBQOSA-N 2 1 321.468 3.043 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)c2c1 ZINC001236207010 1099462961 /nfs/dbraw/zinc/46/29/61/1099462961.db2.gz MWSZMHAJOWPPRY-IBGZPJMESA-N 2 1 314.429 3.128 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)c2c1 ZINC001236207010 1099462969 /nfs/dbraw/zinc/46/29/69/1099462969.db2.gz MWSZMHAJOWPPRY-IBGZPJMESA-N 2 1 314.429 3.128 20 10 DGCDMP Cc1ccc(O)c(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236300793 1099523208 /nfs/dbraw/zinc/52/32/08/1099523208.db2.gz ZWMDDQSSWOIZAZ-UHFFFAOYSA-N 2 1 310.441 3.455 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236458043 1099622184 /nfs/dbraw/zinc/62/21/84/1099622184.db2.gz PVFODRXXIXYXQB-UHFFFAOYSA-N 2 1 303.494 3.353 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236598630 1099695965 /nfs/dbraw/zinc/69/59/65/1099695965.db2.gz LYGTWJVRXQPKEN-SFHVURJKSA-N 2 1 315.505 3.497 20 10 DGCDMP CC(C)c1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c(O)c1 ZINC001236601617 1099697703 /nfs/dbraw/zinc/69/77/03/1099697703.db2.gz NRAYWXZZDCHRIM-OAHLLOKOSA-N 2 1 302.462 3.480 20 10 DGCDMP CCc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c(O)c1 ZINC001236795653 1099791771 /nfs/dbraw/zinc/79/17/71/1099791771.db2.gz XULSDWZYMLWERW-UHFFFAOYSA-N 2 1 320.452 3.353 20 10 DGCDMP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)CC1CC1 ZINC001236929228 1099880102 /nfs/dbraw/zinc/88/01/02/1099880102.db2.gz BORCDEDGUIOMSA-UHFFFAOYSA-N 2 1 319.468 3.200 20 10 DGCDMP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236939676 1099882280 /nfs/dbraw/zinc/88/22/80/1099882280.db2.gz UCWBWXHQKIBNIK-JKSUJKDBSA-N 2 1 319.468 3.198 20 10 DGCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(C)C)cc3O)C[C@@H]2C1 ZINC001237054502 1099947704 /nfs/dbraw/zinc/94/77/04/1099947704.db2.gz ARDYDGIPYPMJPA-HDICACEKSA-N 2 1 302.462 3.289 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(C)C)cc3O)C[C@@H]2C1 ZINC001237054502 1099947710 /nfs/dbraw/zinc/94/77/10/1099947710.db2.gz ARDYDGIPYPMJPA-HDICACEKSA-N 2 1 302.462 3.289 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(C)C)cc3O)C[C@@H]2C1 ZINC001237054502 1099947716 /nfs/dbraw/zinc/94/77/16/1099947716.db2.gz ARDYDGIPYPMJPA-HDICACEKSA-N 2 1 302.462 3.289 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])C2)c2ccccc21 ZINC001237059222 1099951434 /nfs/dbraw/zinc/95/14/34/1099951434.db2.gz RULALKAHADYJQR-HXUWFJFHSA-N 2 1 311.473 3.467 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c1O ZINC001205780967 1101353767 /nfs/dbraw/zinc/35/37/67/1101353767.db2.gz ULOUVDCBPKGLHX-CYBMUJFWSA-N 2 1 312.404 3.106 20 10 DGCDMP C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947406 1102767429 /nfs/dbraw/zinc/76/74/29/1102767429.db2.gz XUVGCJNACXVNIA-QAPCUYQASA-N 2 1 314.473 3.364 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(C)CC=CCC3)cc2F)CC1 ZINC001328219640 1103876943 /nfs/dbraw/zinc/87/69/43/1103876943.db2.gz ILZABJCKORTLJO-IBGZPJMESA-N 2 1 317.452 3.166 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC001275833173 1104926159 /nfs/dbraw/zinc/92/61/59/1104926159.db2.gz ATQZJLSMGCEFRX-UHFFFAOYSA-N 2 1 315.505 3.451 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c(Cl)c1 ZINC001276156422 1105033094 /nfs/dbraw/zinc/03/30/94/1105033094.db2.gz SDYGAONAXUTIQX-UHFFFAOYSA-N 2 1 321.896 3.324 20 10 DGCDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C ZINC001320509417 1107033717 /nfs/dbraw/zinc/03/37/17/1107033717.db2.gz PYQQJFKMXYRFOY-CVEARBPZSA-N 2 1 319.468 3.055 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C ZINC001320509417 1107033732 /nfs/dbraw/zinc/03/37/32/1107033732.db2.gz PYQQJFKMXYRFOY-CVEARBPZSA-N 2 1 319.468 3.055 20 10 DGCDMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000126975116 227002300 /nfs/dbraw/zinc/00/23/00/227002300.db2.gz MWPNMJZNWWRQHE-UHFFFAOYSA-N 2 1 322.452 3.376 20 10 DGCDMP COc1cccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1O ZINC000069953129 431232900 /nfs/dbraw/zinc/23/29/00/431232900.db2.gz QJGJDFQXXWZSLO-UHFFFAOYSA-N 2 1 306.450 3.145 20 10 DGCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683801 431918013 /nfs/dbraw/zinc/91/80/13/431918013.db2.gz ITGHMGFQCNJGEB-INIZCTEOSA-N 2 1 318.461 3.099 20 10 DGCDMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430539 432331579 /nfs/dbraw/zinc/33/15/79/432331579.db2.gz YDUAXUQRACYFKK-KXBFYZLASA-N 2 1 301.478 3.278 20 10 DGCDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000296954257 432942923 /nfs/dbraw/zinc/94/29/23/432942923.db2.gz QWOXWCUVQFUNJB-NVXWUHKLSA-N 2 1 302.462 3.337 20 10 DGCDMP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000853093140 620667371 /nfs/dbraw/zinc/66/73/71/620667371.db2.gz DMTUNGDMHHJGOZ-INIZCTEOSA-N 2 1 318.461 3.003 20 10 DGCDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1O ZINC000853241016 620681519 /nfs/dbraw/zinc/68/15/19/620681519.db2.gz RRVLWYWWCOLOOO-DZGCQCFKSA-N 2 1 306.425 3.304 20 10 DGCDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1O ZINC000853241016 620681520 /nfs/dbraw/zinc/68/15/20/620681520.db2.gz RRVLWYWWCOLOOO-DZGCQCFKSA-N 2 1 306.425 3.304 20 10 DGCDMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1N(C)C ZINC000923365135 621179049 /nfs/dbraw/zinc/17/90/49/621179049.db2.gz UALFGMBVYOKIOP-HKUYNNGSSA-N 2 1 301.478 3.025 20 10 DGCDMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2c1c(F)ccc2O ZINC000756368880 621631956 /nfs/dbraw/zinc/63/19/56/621631956.db2.gz RJZKQXXINGVUTA-ABAIWWIYSA-N 2 1 304.409 3.296 20 10 DGCDMP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1C(F)(F)F ZINC000863646018 621693268 /nfs/dbraw/zinc/69/32/68/621693268.db2.gz FTUBLRIYCZKJLP-JQWIXIFHSA-N 2 1 322.758 3.005 20 10 DGCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@@H]1C(F)(F)F ZINC000863646018 621693269 /nfs/dbraw/zinc/69/32/69/621693269.db2.gz FTUBLRIYCZKJLP-JQWIXIFHSA-N 2 1 322.758 3.005 20 10 DGCDMP C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000763646148 622156629 /nfs/dbraw/zinc/15/66/29/622156629.db2.gz JDQUYBFLKUTLNT-QGZVFWFLSA-N 2 1 313.489 3.203 20 10 DGCDMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769506119 622535519 /nfs/dbraw/zinc/53/55/19/622535519.db2.gz ATVQBAWNTNGSMX-INIZCTEOSA-N 2 1 307.457 3.055 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000770350970 622623279 /nfs/dbraw/zinc/62/32/79/622623279.db2.gz HJPYXURMEHTWAI-ICSRJNTNSA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000770350970 622623286 /nfs/dbraw/zinc/62/32/86/622623286.db2.gz HJPYXURMEHTWAI-ICSRJNTNSA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000770350970 622623290 /nfs/dbraw/zinc/62/32/90/622623290.db2.gz HJPYXURMEHTWAI-ICSRJNTNSA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1 ZINC000773757061 623069053 /nfs/dbraw/zinc/06/90/53/623069053.db2.gz YIFRJURBCFGZNN-APWZRJJASA-N 2 1 303.494 3.447 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000773757061 623069059 /nfs/dbraw/zinc/06/90/59/623069059.db2.gz YIFRJURBCFGZNN-APWZRJJASA-N 2 1 303.494 3.447 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000773757061 623069062 /nfs/dbraw/zinc/06/90/62/623069062.db2.gz YIFRJURBCFGZNN-APWZRJJASA-N 2 1 303.494 3.447 20 10 DGCDMP CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000773754287 623069269 /nfs/dbraw/zinc/06/92/69/623069269.db2.gz LNRHVJZNFJPIJT-SFHVURJKSA-N 2 1 303.494 3.306 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000773754287 623069276 /nfs/dbraw/zinc/06/92/76/623069276.db2.gz LNRHVJZNFJPIJT-SFHVURJKSA-N 2 1 303.494 3.306 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000775660242 623307506 /nfs/dbraw/zinc/30/75/06/623307506.db2.gz BAGCJBDZDROWFW-ICSRJNTNSA-N 2 1 313.489 3.203 20 10 DGCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)C(C)C ZINC000775663386 623308371 /nfs/dbraw/zinc/30/83/71/623308371.db2.gz AELYGXVGXQWWSI-KRWDZBQOSA-N 2 1 303.494 3.305 20 10 DGCDMP CC[C@H](C)C[N@@H+](CC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775732575 623321285 /nfs/dbraw/zinc/32/12/85/623321285.db2.gz OYTNKJVBAKRNNM-KRWDZBQOSA-N 2 1 303.494 3.306 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000878868000 624376859 /nfs/dbraw/zinc/37/68/59/624376859.db2.gz ZRPDHHKKAZYSGS-UHFFFAOYSA-N 2 1 301.478 3.060 20 10 DGCDMP CCCN(CCC)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000787304316 624998463 /nfs/dbraw/zinc/99/84/63/624998463.db2.gz KFIVOTLEUAPUJJ-KDURUIRLSA-N 2 1 315.505 3.306 20 10 DGCDMP CCCN(CCC)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000787304316 624998464 /nfs/dbraw/zinc/99/84/64/624998464.db2.gz KFIVOTLEUAPUJJ-KDURUIRLSA-N 2 1 315.505 3.306 20 10 DGCDMP CCCN(CCC)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000787304316 624998465 /nfs/dbraw/zinc/99/84/65/624998465.db2.gz KFIVOTLEUAPUJJ-KDURUIRLSA-N 2 1 315.505 3.306 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1F ZINC000809766502 626948734 /nfs/dbraw/zinc/94/87/34/626948734.db2.gz ZHYCBLLMVJZXTL-QAPCUYQASA-N 2 1 321.484 3.444 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1F ZINC000809766502 626948737 /nfs/dbraw/zinc/94/87/37/626948737.db2.gz ZHYCBLLMVJZXTL-QAPCUYQASA-N 2 1 321.484 3.444 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1F ZINC000809766502 626948740 /nfs/dbraw/zinc/94/87/40/626948740.db2.gz ZHYCBLLMVJZXTL-QAPCUYQASA-N 2 1 321.484 3.444 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000809766502 626948745 /nfs/dbraw/zinc/94/87/45/626948745.db2.gz ZHYCBLLMVJZXTL-QAPCUYQASA-N 2 1 321.484 3.444 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000809767352 626949109 /nfs/dbraw/zinc/94/91/09/626949109.db2.gz INHYXCFYTYQDRW-ICSRJNTNSA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000809767352 626949110 /nfs/dbraw/zinc/94/91/10/626949110.db2.gz INHYXCFYTYQDRW-ICSRJNTNSA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000809767352 626949113 /nfs/dbraw/zinc/94/91/13/626949113.db2.gz INHYXCFYTYQDRW-ICSRJNTNSA-N 2 1 315.505 3.449 20 10 DGCDMP CSC1(C[NH2+][C@H](C)c2ccc(F)cc2O)CC[NH+](C)CC1 ZINC000810252272 626993225 /nfs/dbraw/zinc/99/32/25/626993225.db2.gz MWPCSTKFGPUWIL-GFCCVEGCSA-N 2 1 312.454 3.009 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000814178503 627547341 /nfs/dbraw/zinc/54/73/41/627547341.db2.gz SKQKYFKBJFETDF-IBGZPJMESA-N 2 1 301.478 3.060 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000814178503 627547342 /nfs/dbraw/zinc/54/73/42/627547342.db2.gz SKQKYFKBJFETDF-IBGZPJMESA-N 2 1 301.478 3.060 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000814178503 627547343 /nfs/dbraw/zinc/54/73/43/627547343.db2.gz SKQKYFKBJFETDF-IBGZPJMESA-N 2 1 301.478 3.060 20 10 DGCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815057582 627620775 /nfs/dbraw/zinc/62/07/75/627620775.db2.gz UWKHDVOAGLHFAI-GOSISDBHSA-N 2 1 303.494 3.225 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815057582 627620777 /nfs/dbraw/zinc/62/07/77/627620777.db2.gz UWKHDVOAGLHFAI-GOSISDBHSA-N 2 1 303.494 3.225 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815057582 627620780 /nfs/dbraw/zinc/62/07/80/627620780.db2.gz UWKHDVOAGLHFAI-GOSISDBHSA-N 2 1 303.494 3.225 20 10 DGCDMP Cc1cc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)ccc1N(C)C ZINC000815079502 627623843 /nfs/dbraw/zinc/62/38/43/627623843.db2.gz UHMIQYPFQMCYRJ-UHFFFAOYSA-N 2 1 301.478 3.121 20 10 DGCDMP Cc1cc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)ccc1N(C)C ZINC000815079502 627623846 /nfs/dbraw/zinc/62/38/46/627623846.db2.gz UHMIQYPFQMCYRJ-UHFFFAOYSA-N 2 1 301.478 3.121 20 10 DGCDMP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(C)cc1O ZINC000817942231 627968564 /nfs/dbraw/zinc/96/85/64/627968564.db2.gz ZJISBKDTUAAZSN-GOSISDBHSA-N 2 1 313.445 3.316 20 10 DGCDMP Cc1cc(C)c([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(O)c1 ZINC000817941335 627968752 /nfs/dbraw/zinc/96/87/52/627968752.db2.gz SWHQYKGBWYZYOH-MRXNPFEDSA-N 2 1 313.445 3.235 20 10 DGCDMP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1O ZINC000817942430 627970103 /nfs/dbraw/zinc/97/01/03/627970103.db2.gz YMIWRRWAPKQARV-VIFPVBQESA-N 2 1 303.233 3.349 20 10 DGCDMP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1O ZINC000817947768 627970766 /nfs/dbraw/zinc/97/07/66/627970766.db2.gz QLPFVOKKEGMYNF-KPPDAEKUSA-N 2 1 302.340 3.332 20 10 DGCDMP C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)[C@@H]1CCC[NH2+]C1 ZINC000817948098 627971787 /nfs/dbraw/zinc/97/17/87/627971787.db2.gz VETXXUYJDWRKRF-GRYCIOLGSA-N 2 1 316.367 3.450 20 10 DGCDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817959867 627975528 /nfs/dbraw/zinc/97/55/28/627975528.db2.gz JSBXDQTZNBWJAZ-KXBFYZLASA-N 2 1 301.478 3.455 20 10 DGCDMP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Cl)c(Cl)cc1O ZINC000817976169 627980899 /nfs/dbraw/zinc/98/08/99/627980899.db2.gz HODSDBSNEWQVHC-OTYXRUKQSA-N 2 1 315.244 3.492 20 10 DGCDMP CCC[N@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835034566 629830402 /nfs/dbraw/zinc/83/04/02/629830402.db2.gz BLNSVELDHAVOJA-XFHJGTJQSA-N 2 1 301.478 3.087 20 10 DGCDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054454 629838468 /nfs/dbraw/zinc/83/84/68/629838468.db2.gz VTHZOHJBQCIHMV-HVMFBIMJSA-N 2 1 301.478 3.038 20 10 DGCDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054454 629838470 /nfs/dbraw/zinc/83/84/70/629838470.db2.gz VTHZOHJBQCIHMV-HVMFBIMJSA-N 2 1 301.478 3.038 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054454 629838474 /nfs/dbraw/zinc/83/84/74/629838474.db2.gz VTHZOHJBQCIHMV-HVMFBIMJSA-N 2 1 301.478 3.038 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054454 629838478 /nfs/dbraw/zinc/83/84/78/629838478.db2.gz VTHZOHJBQCIHMV-HVMFBIMJSA-N 2 1 301.478 3.038 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000835055624 629839748 /nfs/dbraw/zinc/83/97/48/629839748.db2.gz LVVDZWJBCMFFPT-XXIDSNJLSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000835055624 629839752 /nfs/dbraw/zinc/83/97/52/629839752.db2.gz LVVDZWJBCMFFPT-XXIDSNJLSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000835055624 629839756 /nfs/dbraw/zinc/83/97/56/629839756.db2.gz LVVDZWJBCMFFPT-XXIDSNJLSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000835055624 629839759 /nfs/dbraw/zinc/83/97/59/629839759.db2.gz LVVDZWJBCMFFPT-XXIDSNJLSA-N 2 1 313.489 3.184 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000840916231 630378423 /nfs/dbraw/zinc/37/84/23/630378423.db2.gz HZNZKGKOIQEKBD-SFHVURJKSA-N 2 1 315.505 3.225 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000840916231 630378427 /nfs/dbraw/zinc/37/84/27/630378427.db2.gz HZNZKGKOIQEKBD-SFHVURJKSA-N 2 1 315.505 3.225 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000840916231 630378430 /nfs/dbraw/zinc/37/84/30/630378430.db2.gz HZNZKGKOIQEKBD-SFHVURJKSA-N 2 1 315.505 3.225 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(Cl)c1 ZINC000840920408 630378988 /nfs/dbraw/zinc/37/89/88/630378988.db2.gz GPUNFPSDPNUNJO-XJKSGUPXSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000840920408 630378990 /nfs/dbraw/zinc/37/89/90/630378990.db2.gz GPUNFPSDPNUNJO-XJKSGUPXSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000840920408 630378993 /nfs/dbraw/zinc/37/89/93/630378993.db2.gz GPUNFPSDPNUNJO-XJKSGUPXSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000840932385 630380114 /nfs/dbraw/zinc/38/01/14/630380114.db2.gz PXGHSDVMIUPFNL-QGZVFWFLSA-N 2 1 303.494 3.271 20 10 DGCDMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)CC[NH2+]1 ZINC000841003263 630394552 /nfs/dbraw/zinc/39/45/52/630394552.db2.gz PDVJFGZHKCAUQH-MJGOQNOKSA-N 2 1 315.505 3.497 20 10 DGCDMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000841037181 630399963 /nfs/dbraw/zinc/39/99/63/630399963.db2.gz YYBGEDFZLWCHNS-UTKZUKDTSA-N 2 1 323.484 3.454 20 10 DGCDMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000841037181 630399965 /nfs/dbraw/zinc/39/99/65/630399965.db2.gz YYBGEDFZLWCHNS-UTKZUKDTSA-N 2 1 323.484 3.454 20 10 DGCDMP COc1cc(Cl)cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c1O ZINC000841039252 630400459 /nfs/dbraw/zinc/40/04/59/630400459.db2.gz HDUDMZCUYDKKSB-CQSZACIVSA-N 2 1 312.841 3.051 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841086053 630405944 /nfs/dbraw/zinc/40/59/44/630405944.db2.gz GCUMAVLJSYCPOA-DOMZBBRYSA-N 2 1 324.852 3.018 20 10 DGCDMP Oc1ccc(Cl)c(F)c1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045345 630607448 /nfs/dbraw/zinc/60/74/48/630607448.db2.gz NUUXCWMCAZCCRE-FZMZJTMJSA-N 2 1 312.816 3.149 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843044013 630607545 /nfs/dbraw/zinc/60/75/45/630607545.db2.gz FYGKEOANWVZRNV-YXGQRWQYSA-N 2 1 313.489 3.230 20 10 DGCDMP C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C[NH3+] ZINC000843052242 630608973 /nfs/dbraw/zinc/60/89/73/630608973.db2.gz QOWSZDOVTZQUCQ-APWZRJJASA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C[NH3+] ZINC000843052242 630608976 /nfs/dbraw/zinc/60/89/76/630608976.db2.gz QOWSZDOVTZQUCQ-APWZRJJASA-N 2 1 301.478 3.236 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843123699 630616075 /nfs/dbraw/zinc/61/60/75/630616075.db2.gz NSAXQRWZHXONPF-HXUWFJFHSA-N 2 1 313.489 3.252 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126755 630616711 /nfs/dbraw/zinc/61/67/11/630616711.db2.gz MNOKTBBZQMJAGH-PKOBYXMFSA-N 2 1 315.505 3.273 20 10 DGCDMP C[NH2+]Cc1ccccc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000844905461 630972754 /nfs/dbraw/zinc/97/27/54/630972754.db2.gz ZVSBXGHPOHZMMJ-UHFFFAOYSA-N 2 1 308.784 3.194 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000844902458 630972880 /nfs/dbraw/zinc/97/28/80/630972880.db2.gz NABXVOOTPUMDRG-HKUYNNGSSA-N 2 1 301.478 3.094 20 10 DGCDMP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000164392142 658930434 /nfs/dbraw/zinc/93/04/34/658930434.db2.gz LOSPKDPJDFBOEZ-CQSZACIVSA-N 2 1 320.477 3.082 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253909 662329060 /nfs/dbraw/zinc/32/90/60/662329060.db2.gz YBYOAUOXGSWUAM-GOSISDBHSA-N 2 1 303.494 3.306 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001356057025 1181133481 /nfs/dbraw/zinc/13/34/81/1181133481.db2.gz LCIQFEAHTVFNBO-LZLYRXPVSA-N 2 1 302.462 3.171 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(OC)cc2O)C[C@H]1C ZINC001560636403 1189352248 /nfs/dbraw/zinc/35/22/48/1189352248.db2.gz FNPHRTZWYQRNFJ-CABCVRRESA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(OC)cc2O)C[C@H]1C ZINC001560636403 1189352255 /nfs/dbraw/zinc/35/22/55/1189352255.db2.gz FNPHRTZWYQRNFJ-CABCVRRESA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(OC)cc2O)C[C@H]1C ZINC001560636403 1189352260 /nfs/dbraw/zinc/35/22/60/1189352260.db2.gz FNPHRTZWYQRNFJ-CABCVRRESA-N 2 1 306.450 3.014 20 10 DGCDMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC001621108432 1193803608 /nfs/dbraw/zinc/80/36/08/1193803608.db2.gz OVMKARWJIQQMTL-IHPCNDPISA-N 2 1 313.489 3.107 20 10 DGCDMP C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001658822074 1196304959 /nfs/dbraw/zinc/30/49/59/1196304959.db2.gz GYUGWCIURQFMGR-KGLIPLIRSA-N 2 1 306.425 3.274 20 10 DGCDMP C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001662591278 1196731438 /nfs/dbraw/zinc/73/14/38/1196731438.db2.gz WOGHXWYYWHOFMB-HNNXBMFYSA-N 2 1 321.484 3.492 20 10 DGCDMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(F)c(F)cc2O)CC1 ZINC001142520403 1087276352 /nfs/dbraw/zinc/27/63/52/1087276352.db2.gz IEKAITYQNWVKCE-UHFFFAOYSA-N 2 1 312.404 3.223 20 10 DGCDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(F)c(F)cc2O)CC1 ZINC001142520403 1087276359 /nfs/dbraw/zinc/27/63/59/1087276359.db2.gz IEKAITYQNWVKCE-UHFFFAOYSA-N 2 1 312.404 3.223 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)Cc2ccccc21 ZINC001205164956 1091116665 /nfs/dbraw/zinc/11/66/65/1091116665.db2.gz YCGGARDOQRMFDJ-KRWDZBQOSA-N 2 1 321.468 3.216 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@@H]1C[NH3+] ZINC001205625964 1091287181 /nfs/dbraw/zinc/28/71/81/1091287181.db2.gz DAOWPOLOGIBUBR-LSDHHAIUSA-N 2 1 304.478 3.497 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(O)c1 ZINC001205627406 1091287196 /nfs/dbraw/zinc/28/71/96/1091287196.db2.gz PIDHDNYEJWLQKQ-HOTGVXAUSA-N 2 1 319.493 3.045 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205991479 1091440307 /nfs/dbraw/zinc/44/03/07/1091440307.db2.gz BAOLFNIEIWFNHQ-FUHWJXTLSA-N 2 1 303.494 3.340 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCC[C@@H]1C[NH3+] ZINC001205993489 1091440336 /nfs/dbraw/zinc/44/03/36/1091440336.db2.gz HUGBBOXACYZIFG-SJLPKXTDSA-N 2 1 301.478 3.094 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@H](C)CC2)cc(C[NH+](C)C)c1O ZINC001139254595 1091501510 /nfs/dbraw/zinc/50/15/10/1091501510.db2.gz JBHCVKCUOSIZCV-AWEZNQCLSA-N 2 1 306.450 3.084 20 10 DGCDMP COc1cc(C[N@H+]2CCC3(CCCC3)C2)cc(C[NH+](C)C)c1O ZINC001139256755 1091502618 /nfs/dbraw/zinc/50/26/18/1091502618.db2.gz JNEYJSZRPOTRIZ-UHFFFAOYSA-N 2 1 318.461 3.229 20 10 DGCDMP CCC[N@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)CC1CC1 ZINC001139253144 1091502644 /nfs/dbraw/zinc/50/26/44/1091502644.db2.gz NJODECWPZBREFH-UHFFFAOYSA-N 2 1 306.450 3.084 20 10 DGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001206324764 1091579058 /nfs/dbraw/zinc/57/90/58/1091579058.db2.gz DEIXZRGAJIGSSN-HNNXBMFYSA-N 2 1 300.805 3.136 20 10 DGCDMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001206324764 1091579062 /nfs/dbraw/zinc/57/90/62/1091579062.db2.gz DEIXZRGAJIGSSN-HNNXBMFYSA-N 2 1 300.805 3.136 20 10 DGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001206324764 1091579071 /nfs/dbraw/zinc/57/90/71/1091579071.db2.gz DEIXZRGAJIGSSN-HNNXBMFYSA-N 2 1 300.805 3.136 20 10 DGCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001206541889 1091662535 /nfs/dbraw/zinc/66/25/35/1091662535.db2.gz MPZUGKFFDSHOED-LJQANCHMSA-N 2 1 301.478 3.238 20 10 DGCDMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001206615545 1091689962 /nfs/dbraw/zinc/68/99/62/1091689962.db2.gz IAPLBNQCSXUPHV-SFHVURJKSA-N 2 1 301.478 3.238 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC001140300449 1091818520 /nfs/dbraw/zinc/81/85/20/1091818520.db2.gz QAJHTTRYOPPHEK-KRWDZBQOSA-N 2 1 301.478 3.060 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H](F)C3)cc2)CC1 ZINC001140302133 1091820267 /nfs/dbraw/zinc/82/02/67/1091820267.db2.gz KXTYVVQJLGTFEX-GOSISDBHSA-N 2 1 319.468 3.153 20 10 DGCDMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccc(N2CCCC2)cc1 ZINC001207483684 1091983069 /nfs/dbraw/zinc/98/30/69/1091983069.db2.gz HGRQFXIAPOJEEP-UHFFFAOYSA-N 2 1 315.505 3.451 20 10 DGCDMP CC[N@H+](Cc1ccc(N(C)C)cc1)CC1CC[NH+](CC)CC1 ZINC001208602528 1092422423 /nfs/dbraw/zinc/42/24/23/1092422423.db2.gz GXWBIVJDLOJRSK-UHFFFAOYSA-N 2 1 303.494 3.306 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001209519762 1092807751 /nfs/dbraw/zinc/80/77/51/1092807751.db2.gz HUHLPUNPJVVOKD-TZIWHRDSSA-N 2 1 323.484 3.478 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)cc1 ZINC001209519762 1092807759 /nfs/dbraw/zinc/80/77/59/1092807759.db2.gz HUHLPUNPJVVOKD-TZIWHRDSSA-N 2 1 323.484 3.478 20 10 DGCDMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)n1-c1ccccc1 ZINC001235033590 1098761147 /nfs/dbraw/zinc/76/11/47/1098761147.db2.gz ZOPBDLXIKJBISK-FQEVSTJZSA-N 2 1 309.457 3.280 20 10 DGCDMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)n1-c1ccccc1 ZINC001235033591 1098761210 /nfs/dbraw/zinc/76/12/10/1098761210.db2.gz ZOPBDLXIKJBISK-HXUWFJFHSA-N 2 1 309.457 3.280 20 10 DGCDMP CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC001235197716 1098872938 /nfs/dbraw/zinc/87/29/38/1098872938.db2.gz HZHQPTYRBJYVQG-TZMCWYRMSA-N 2 1 322.880 3.384 20 10 DGCDMP CC(C)(C)c1cc(O)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC001235197716 1098872946 /nfs/dbraw/zinc/87/29/46/1098872946.db2.gz HZHQPTYRBJYVQG-TZMCWYRMSA-N 2 1 322.880 3.384 20 10 DGCDMP Oc1cc(F)c(F)cc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235228276 1098901206 /nfs/dbraw/zinc/90/12/06/1098901206.db2.gz LGHOFMGLHBSNJW-MRXNPFEDSA-N 2 1 310.388 3.025 20 10 DGCDMP CN1CCC[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@H]21 ZINC001235678085 1099119336 /nfs/dbraw/zinc/11/93/36/1099119336.db2.gz ADYPRGVBONWUPI-RHSMWYFYSA-N 2 1 302.462 3.216 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(Cl)c1 ZINC001235716962 1099144401 /nfs/dbraw/zinc/14/44/01/1099144401.db2.gz PFMXQGJHRIXLQB-UHFFFAOYSA-N 2 1 309.885 3.228 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001235928612 1099265250 /nfs/dbraw/zinc/26/52/50/1099265250.db2.gz BCWLVAGFOVWCQI-OALUTQOASA-N 2 1 309.457 3.135 20 10 DGCDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c2ccccc21 ZINC001235958274 1099289858 /nfs/dbraw/zinc/28/98/58/1099289858.db2.gz CHWWKHOVMUPGRP-CWPLJXCYSA-N 2 1 309.457 3.075 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CCC[NH2+]1 ZINC001236100094 1099387988 /nfs/dbraw/zinc/38/79/88/1099387988.db2.gz DDMRJBYCNHHXGD-AWEZNQCLSA-N 2 1 314.404 3.382 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217154 1099474466 /nfs/dbraw/zinc/47/44/66/1099474466.db2.gz NCRZCIZUABCFRG-RBUKOAKNSA-N 2 1 301.478 3.379 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217153 1099474365 /nfs/dbraw/zinc/47/43/65/1099474365.db2.gz NCRZCIZUABCFRG-OALUTQOASA-N 2 1 301.478 3.379 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217153 1099474369 /nfs/dbraw/zinc/47/43/69/1099474369.db2.gz NCRZCIZUABCFRG-OALUTQOASA-N 2 1 301.478 3.379 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217154 1099474471 /nfs/dbraw/zinc/47/44/71/1099474471.db2.gz NCRZCIZUABCFRG-RBUKOAKNSA-N 2 1 301.478 3.379 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217152 1099474587 /nfs/dbraw/zinc/47/45/87/1099474587.db2.gz NCRZCIZUABCFRG-MOPGFXCFSA-N 2 1 301.478 3.379 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217152 1099474593 /nfs/dbraw/zinc/47/45/93/1099474593.db2.gz NCRZCIZUABCFRG-MOPGFXCFSA-N 2 1 301.478 3.379 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321655 1099535805 /nfs/dbraw/zinc/53/58/05/1099535805.db2.gz VBLODGMIWWAFPL-GASCZTMLSA-N 2 1 302.462 3.121 20 10 DGCDMP Cc1cccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1O ZINC001236374487 1099560730 /nfs/dbraw/zinc/56/07/30/1099560730.db2.gz DBQHAXRYOFRJNB-INIZCTEOSA-N 2 1 302.462 3.445 20 10 DGCDMP CC(C)[N@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236468708 1099628293 /nfs/dbraw/zinc/62/82/93/1099628293.db2.gz KWZVPNJEMCNVMY-LJQANCHMSA-N 2 1 301.478 3.249 20 10 DGCDMP CC(C)[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236468708 1099628298 /nfs/dbraw/zinc/62/82/98/1099628298.db2.gz KWZVPNJEMCNVMY-LJQANCHMSA-N 2 1 301.478 3.249 20 10 DGCDMP Cc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)ccc1N(C)C ZINC001236633665 1099715442 /nfs/dbraw/zinc/71/54/42/1099715442.db2.gz JOERTMMDTLVXAK-UHFFFAOYSA-N 2 1 301.478 3.168 20 10 DGCDMP CCOc1cccc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236647757 1099719752 /nfs/dbraw/zinc/71/97/52/1099719752.db2.gz MSNKZUJHBAJWGL-KRWDZBQOSA-N 2 1 318.461 3.288 20 10 DGCDMP CCOc1cccc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236647757 1099719760 /nfs/dbraw/zinc/71/97/60/1099719760.db2.gz MSNKZUJHBAJWGL-KRWDZBQOSA-N 2 1 318.461 3.288 20 10 DGCDMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)n1-c1ccccc1 ZINC001236820363 1099806639 /nfs/dbraw/zinc/80/66/39/1099806639.db2.gz RDQXDHZHGYSXJF-VDGAXYAQSA-N 2 1 309.457 3.263 20 10 DGCDMP C[C@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236932421 1099883457 /nfs/dbraw/zinc/88/34/57/1099883457.db2.gz OPSSRIRJWITXHX-INIZCTEOSA-N 2 1 319.468 3.200 20 10 DGCDMP CC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C1CCN(C)CC1 ZINC001237139733 1099989239 /nfs/dbraw/zinc/98/92/39/1099989239.db2.gz OILOOLRGQYCLBW-UHFFFAOYSA-N 2 1 316.367 3.327 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237386761 1100102832 /nfs/dbraw/zinc/10/28/32/1100102832.db2.gz AFZKSIAWZYIISU-UYAOXDASSA-N 2 1 313.489 3.251 20 10 DGCDMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]Cc2ccc(N)cc2)CC[NH2+]1 ZINC001246169721 1104417304 /nfs/dbraw/zinc/41/73/04/1104417304.db2.gz JFXJXALBIGKRDS-IEBWSBKVSA-N 2 1 313.420 3.299 20 10 DGCDMP C[N@H+]1CCC[C@]2(CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC001275275318 1104700937 /nfs/dbraw/zinc/70/09/37/1104700937.db2.gz GWFUYIXXHWVXSJ-KRWDZBQOSA-N 2 1 308.853 3.353 20 10 DGCDMP CCCC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246902304 1104728220 /nfs/dbraw/zinc/72/82/20/1104728220.db2.gz RBNMWMLQLUHKLB-MJGOQNOKSA-N 2 1 303.494 3.495 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246902750 1104728625 /nfs/dbraw/zinc/72/86/25/1104728625.db2.gz UHNRDLXRYGCILO-RBUKOAKNSA-N 2 1 301.478 3.107 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246902751 1104728799 /nfs/dbraw/zinc/72/87/99/1104728799.db2.gz UHNRDLXRYGCILO-RTBURBONSA-N 2 1 301.478 3.107 20 10 DGCDMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c(O)ccc3ccccc31)CC2 ZINC001276078305 1105009446 /nfs/dbraw/zinc/00/94/46/1105009446.db2.gz MXYZFFMSDSWGEF-UHFFFAOYSA-N 2 1 310.441 3.463 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629718 1106456674 /nfs/dbraw/zinc/45/66/74/1106456674.db2.gz QOKVQZIHLCQZCX-DFNIBXOVSA-N 2 1 301.478 3.200 20 10 DGCDMP CC[NH+](Cc1ccc(N(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629718 1106456676 /nfs/dbraw/zinc/45/66/76/1106456676.db2.gz QOKVQZIHLCQZCX-DFNIBXOVSA-N 2 1 301.478 3.200 20 10 DGCDMP CC[NH+](Cc1ccc(N(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629718 1106456679 /nfs/dbraw/zinc/45/66/79/1106456679.db2.gz QOKVQZIHLCQZCX-DFNIBXOVSA-N 2 1 301.478 3.200 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628271 1106456825 /nfs/dbraw/zinc/45/68/25/1106456825.db2.gz YSKDZHZCLOARRS-YOFSQIOKSA-N 2 1 313.489 3.344 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628271 1106456827 /nfs/dbraw/zinc/45/68/27/1106456827.db2.gz YSKDZHZCLOARRS-YOFSQIOKSA-N 2 1 313.489 3.344 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628271 1106456831 /nfs/dbraw/zinc/45/68/31/1106456831.db2.gz YSKDZHZCLOARRS-YOFSQIOKSA-N 2 1 313.489 3.344 20 10 DGCDMP Nc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC001262487926 1107719210 /nfs/dbraw/zinc/71/92/10/1107719210.db2.gz KFDJZOQTUDSKQA-FPOVZHCZSA-N 2 1 323.484 3.441 20 10 DGCDMP CC(C)[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C1CCC1 ZINC001324745908 1108450310 /nfs/dbraw/zinc/45/03/10/1108450310.db2.gz GSMXWXGLSLARAW-UHFFFAOYSA-N 2 1 319.468 3.340 20 10 DGCDMP CC(C)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCC1 ZINC001324745908 1108450315 /nfs/dbraw/zinc/45/03/15/1108450315.db2.gz GSMXWXGLSLARAW-UHFFFAOYSA-N 2 1 319.468 3.340 20 10 DGCDMP CC(C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCC1 ZINC001324745908 1108450322 /nfs/dbraw/zinc/45/03/22/1108450322.db2.gz GSMXWXGLSLARAW-UHFFFAOYSA-N 2 1 319.468 3.340 20 10 DGCDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001319797783 1108638817 /nfs/dbraw/zinc/63/88/17/1108638817.db2.gz RZCAXXTUMILDPA-IYBDPMFKSA-N 2 1 319.468 3.055 20 10 DGCDMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319797783 1108638822 /nfs/dbraw/zinc/63/88/22/1108638822.db2.gz RZCAXXTUMILDPA-IYBDPMFKSA-N 2 1 319.468 3.055 20 10 DGCDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319797783 1108638827 /nfs/dbraw/zinc/63/88/27/1108638827.db2.gz RZCAXXTUMILDPA-IYBDPMFKSA-N 2 1 319.468 3.055 20 10 DGCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](C)C(C)C ZINC001319815697 1108648069 /nfs/dbraw/zinc/64/80/69/1108648069.db2.gz LSXXKPLWPSGUBH-MRXNPFEDSA-N 2 1 321.484 3.444 20 10 DGCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](C)C(C)C ZINC001319815697 1108648072 /nfs/dbraw/zinc/64/80/72/1108648072.db2.gz LSXXKPLWPSGUBH-MRXNPFEDSA-N 2 1 321.484 3.444 20 10 DGCDMP CCOc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1O ZINC000271054108 432323246 /nfs/dbraw/zinc/32/32/46/432323246.db2.gz YHICFOWFCANGGK-UHFFFAOYSA-N 2 1 318.461 3.241 20 10 DGCDMP COc1c(C)cnc(C[N@@H+](C)Cc2cc(F)ccc2O)c1C ZINC000183782664 432325751 /nfs/dbraw/zinc/32/57/51/432325751.db2.gz HGSSZEDUEZYWHL-UHFFFAOYSA-N 2 1 304.365 3.184 20 10 DGCDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000271177721 432345641 /nfs/dbraw/zinc/34/56/41/432345641.db2.gz KSSSFMUQZYDWEB-INIZCTEOSA-N 2 1 310.441 3.443 20 10 DGCDMP Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192933483 432430142 /nfs/dbraw/zinc/43/01/42/432430142.db2.gz PEBPHFNYIUOLCV-SFHVURJKSA-N 2 1 310.441 3.312 20 10 DGCDMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000184997658 432453506 /nfs/dbraw/zinc/45/35/06/432453506.db2.gz VMYULVXJILNGIL-CABCVRRESA-N 2 1 314.473 3.406 20 10 DGCDMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)C1 ZINC000185059855 432461877 /nfs/dbraw/zinc/46/18/77/432461877.db2.gz GWDWINPSXOSFOZ-GJZGRUSLSA-N 2 1 302.462 3.263 20 10 DGCDMP CCCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(O)c1 ZINC000105442772 332251935 /nfs/dbraw/zinc/25/19/35/332251935.db2.gz SKMGNUOMQXZUPW-AWEZNQCLSA-N 2 1 317.433 3.112 20 10 DGCDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177974461 546125210 /nfs/dbraw/zinc/12/52/10/546125210.db2.gz JPAVXLSUMFIYAD-GJYPPUQNSA-N 2 1 301.478 3.105 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1F ZINC000740003947 574917924 /nfs/dbraw/zinc/91/79/24/574917924.db2.gz DTVWEKWOXPOSFW-SJORKVTESA-N 2 1 319.468 3.388 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000740003947 574917925 /nfs/dbraw/zinc/91/79/25/574917925.db2.gz DTVWEKWOXPOSFW-SJORKVTESA-N 2 1 319.468 3.388 20 10 DGCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2O)CCC3)C1 ZINC000743393382 575049255 /nfs/dbraw/zinc/04/92/55/575049255.db2.gz POWXQBOPHKAMDT-OAHLLOKOSA-N 2 1 302.462 3.045 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000743393382 575049257 /nfs/dbraw/zinc/04/92/57/575049257.db2.gz POWXQBOPHKAMDT-OAHLLOKOSA-N 2 1 302.462 3.045 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000743393382 575049258 /nfs/dbraw/zinc/04/92/58/575049258.db2.gz POWXQBOPHKAMDT-OAHLLOKOSA-N 2 1 302.462 3.045 20 10 DGCDMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1C ZINC000750827076 575754159 /nfs/dbraw/zinc/75/41/59/575754159.db2.gz VJTVNYCWBRCLNJ-LRDDRELGSA-N 2 1 322.424 3.039 20 10 DGCDMP Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093304 620667572 /nfs/dbraw/zinc/66/75/72/620667572.db2.gz IMIYNOUNYJMKMZ-AWEZNQCLSA-N 2 1 308.853 3.257 20 10 DGCDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(O)c1 ZINC000853239284 620680977 /nfs/dbraw/zinc/68/09/77/620680977.db2.gz DHWZJFUJTWHIMY-WBVHZDCISA-N 2 1 302.462 3.473 20 10 DGCDMP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000853239251 620681050 /nfs/dbraw/zinc/68/10/50/620681050.db2.gz CVWNBAXPMOPASN-GDBMZVCRSA-N 2 1 318.461 3.173 20 10 DGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000894044002 618698667 /nfs/dbraw/zinc/69/86/67/618698667.db2.gz HPYDSVDCAQGCFT-GDBMZVCRSA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000894044002 618698671 /nfs/dbraw/zinc/69/86/71/618698671.db2.gz HPYDSVDCAQGCFT-GDBMZVCRSA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000894044002 618698672 /nfs/dbraw/zinc/69/86/72/618698672.db2.gz HPYDSVDCAQGCFT-GDBMZVCRSA-N 2 1 306.450 3.014 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000894044004 618698845 /nfs/dbraw/zinc/69/88/45/618698845.db2.gz HPYDSVDCAQGCFT-HOCLYGCPSA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000894044004 618698847 /nfs/dbraw/zinc/69/88/47/618698847.db2.gz HPYDSVDCAQGCFT-HOCLYGCPSA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000894044004 618698853 /nfs/dbraw/zinc/69/88/53/618698853.db2.gz HPYDSVDCAQGCFT-HOCLYGCPSA-N 2 1 306.450 3.014 20 10 DGCDMP COc1cc(C)cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1O ZINC000894053766 618700484 /nfs/dbraw/zinc/70/04/84/618700484.db2.gz IMSITCGKNMAHTI-MRXNPFEDSA-N 2 1 306.450 3.015 20 10 DGCDMP COc1cc(C)cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1O ZINC000894053766 618700486 /nfs/dbraw/zinc/70/04/86/618700486.db2.gz IMSITCGKNMAHTI-MRXNPFEDSA-N 2 1 306.450 3.015 20 10 DGCDMP COc1cc(C)cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1O ZINC000894053766 618700488 /nfs/dbraw/zinc/70/04/88/618700488.db2.gz IMSITCGKNMAHTI-MRXNPFEDSA-N 2 1 306.450 3.015 20 10 DGCDMP COc1cc(C)cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000894360490 618772075 /nfs/dbraw/zinc/77/20/75/618772075.db2.gz WVLVBQLDLAKIGU-MRXNPFEDSA-N 2 1 320.477 3.167 20 10 DGCDMP COc1cccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1O ZINC000895685970 618816913 /nfs/dbraw/zinc/81/69/13/618816913.db2.gz OWAWORMDVHOEER-UHFFFAOYSA-N 2 1 306.450 3.099 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000841004142 619148427 /nfs/dbraw/zinc/14/84/27/619148427.db2.gz MQZJWIZUXTXGJJ-SJLPKXTDSA-N 2 1 303.494 3.353 20 10 DGCDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858145490 621158056 /nfs/dbraw/zinc/15/80/56/621158056.db2.gz WEFAFWJMRAFBPZ-UHFFFAOYSA-N 2 1 322.403 3.106 20 10 DGCDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756611150 621652552 /nfs/dbraw/zinc/65/25/52/621652552.db2.gz KEPOWSMPXSUDHX-ZQIUZPCESA-N 2 1 302.462 3.404 20 10 DGCDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000756611150 621652555 /nfs/dbraw/zinc/65/25/55/621652555.db2.gz KEPOWSMPXSUDHX-ZQIUZPCESA-N 2 1 302.462 3.404 20 10 DGCDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768467070 622458827 /nfs/dbraw/zinc/45/88/27/622458827.db2.gz WYQSJCPGWJGSBB-OAHLLOKOSA-N 2 1 302.462 3.045 20 10 DGCDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768467070 622458829 /nfs/dbraw/zinc/45/88/29/622458829.db2.gz WYQSJCPGWJGSBB-OAHLLOKOSA-N 2 1 302.462 3.045 20 10 DGCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768467070 622458830 /nfs/dbraw/zinc/45/88/30/622458830.db2.gz WYQSJCPGWJGSBB-OAHLLOKOSA-N 2 1 302.462 3.045 20 10 DGCDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469633 622530532 /nfs/dbraw/zinc/53/05/32/622530532.db2.gz BWQKSDHFBSWOHL-HOCLYGCPSA-N 2 1 307.457 3.196 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469633 622530533 /nfs/dbraw/zinc/53/05/33/622530533.db2.gz BWQKSDHFBSWOHL-HOCLYGCPSA-N 2 1 307.457 3.196 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469633 622530534 /nfs/dbraw/zinc/53/05/34/622530534.db2.gz BWQKSDHFBSWOHL-HOCLYGCPSA-N 2 1 307.457 3.196 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769469633 622530535 /nfs/dbraw/zinc/53/05/35/622530535.db2.gz BWQKSDHFBSWOHL-HOCLYGCPSA-N 2 1 307.457 3.196 20 10 DGCDMP CCN(C)c1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000773754642 623068519 /nfs/dbraw/zinc/06/85/19/623068519.db2.gz RGIPRRRYHYQFJJ-GOSISDBHSA-N 2 1 303.494 3.449 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000773754642 623068522 /nfs/dbraw/zinc/06/85/22/623068522.db2.gz RGIPRRRYHYQFJJ-GOSISDBHSA-N 2 1 303.494 3.449 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000773754642 623068528 /nfs/dbraw/zinc/06/85/28/623068528.db2.gz RGIPRRRYHYQFJJ-GOSISDBHSA-N 2 1 303.494 3.449 20 10 DGCDMP CC[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775638927 623300556 /nfs/dbraw/zinc/30/05/56/623300556.db2.gz QGRXJWJAFBEADY-UHFFFAOYSA-N 2 1 323.484 3.461 20 10 DGCDMP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(O)c1 ZINC000877007439 623765109 /nfs/dbraw/zinc/76/51/09/623765109.db2.gz PYKDXDGWVBEWPU-LJQANCHMSA-N 2 1 324.468 3.355 20 10 DGCDMP Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC000788783714 625265079 /nfs/dbraw/zinc/26/50/79/625265079.db2.gz NSFRFCACQFUTFO-IAGOWNOFSA-N 2 1 320.477 3.161 20 10 DGCDMP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1c(O)cccc1F ZINC000886640349 627178503 /nfs/dbraw/zinc/17/85/03/627178503.db2.gz XGZPIPKMVOGEFW-ZDUSSCGKSA-N 2 1 306.425 3.304 20 10 DGCDMP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(F)cc1O ZINC000925885951 627811777 /nfs/dbraw/zinc/81/17/77/627811777.db2.gz BXSSCASTWLEXLZ-NRXGSXMXSA-N 2 1 314.404 3.241 20 10 DGCDMP CN1CCCc2cc(C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)ccc21 ZINC000817900036 627956401 /nfs/dbraw/zinc/95/64/01/627956401.db2.gz JSTQKOPMTQWSJL-RTBURBONSA-N 2 1 307.441 3.303 20 10 DGCDMP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1O ZINC000817942429 627969826 /nfs/dbraw/zinc/96/98/26/627969826.db2.gz YMIWRRWAPKQARV-SECBINFHSA-N 2 1 303.233 3.349 20 10 DGCDMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1O ZINC000817946572 627970377 /nfs/dbraw/zinc/97/03/77/627970377.db2.gz ZWSKCESMLDWQRJ-NXEZZACHSA-N 2 1 303.233 3.349 20 10 DGCDMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817945723 627970739 /nfs/dbraw/zinc/97/07/39/627970739.db2.gz KHTDIWDQOOKLFM-WDEREUQCSA-N 2 1 302.340 3.061 20 10 DGCDMP CC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(F)cc1O ZINC000817949703 627972791 /nfs/dbraw/zinc/97/27/91/627972791.db2.gz SIKHYMIJBZFTEU-KRWDZBQOSA-N 2 1 302.393 3.273 20 10 DGCDMP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000817953266 627973214 /nfs/dbraw/zinc/97/32/14/627973214.db2.gz YFJIBWMYPBAFSJ-HKUYNNGSSA-N 2 1 310.441 3.408 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1O ZINC000817970392 627978687 /nfs/dbraw/zinc/97/86/87/627978687.db2.gz UKPWNVZTZZOBQW-HBNTYKKESA-N 2 1 302.340 3.332 20 10 DGCDMP CC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1O ZINC000817969740 627978836 /nfs/dbraw/zinc/97/88/36/627978836.db2.gz ZBLOJKWNRWOGPM-QGZVFWFLSA-N 2 1 300.377 3.375 20 10 DGCDMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Cl)c(Cl)cc1O ZINC000817968260 627979021 /nfs/dbraw/zinc/97/90/21/627979021.db2.gz IUMXROXXCSAALO-NXEZZACHSA-N 2 1 303.233 3.492 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000818430897 628022429 /nfs/dbraw/zinc/02/24/29/628022429.db2.gz BABMAXNRRUYRFK-MRXNPFEDSA-N 2 1 301.478 3.025 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000818431812 628022555 /nfs/dbraw/zinc/02/25/55/628022555.db2.gz UDGXJCXKDIPMBO-ZDUSSCGKSA-N 2 1 308.853 3.318 20 10 DGCDMP CC[N@H+]1CCC[C@@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835035247 629830262 /nfs/dbraw/zinc/83/02/62/629830262.db2.gz FADIEOGVTHEURB-YEODSOHDSA-N 2 1 301.478 3.087 20 10 DGCDMP CC(C)[N@H+]1CC[C@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835052291 629836999 /nfs/dbraw/zinc/83/69/99/629836999.db2.gz BZSDSOCFRKMSGC-OOFWQKGWSA-N 2 1 301.478 3.086 20 10 DGCDMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000841037177 630399981 /nfs/dbraw/zinc/39/99/81/630399981.db2.gz YYBGEDFZLWCHNS-DYESRHJHSA-N 2 1 323.484 3.454 20 10 DGCDMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000841037177 630399982 /nfs/dbraw/zinc/39/99/82/630399982.db2.gz YYBGEDFZLWCHNS-DYESRHJHSA-N 2 1 323.484 3.454 20 10 DGCDMP CN(C)c1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c(C(F)(F)F)c1 ZINC000841087153 630406177 /nfs/dbraw/zinc/40/61/77/630406177.db2.gz JQJUSKYJSLRCET-AWEZNQCLSA-N 2 1 317.399 3.234 20 10 DGCDMP Oc1ccc(Cl)c(F)c1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843045348 630607815 /nfs/dbraw/zinc/60/78/15/630607815.db2.gz NUUXCWMCAZCCRE-SMDDNHRTSA-N 2 1 312.816 3.149 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000843047981 630608031 /nfs/dbraw/zinc/60/80/31/630608031.db2.gz GDXYAKHFROVLAG-RBUKOAKNSA-N 2 1 301.478 3.168 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000843047981 630608033 /nfs/dbraw/zinc/60/80/33/630608033.db2.gz GDXYAKHFROVLAG-RBUKOAKNSA-N 2 1 301.478 3.168 20 10 DGCDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1[NH3+] ZINC000843053697 630608625 /nfs/dbraw/zinc/60/86/25/630608625.db2.gz RERHFNABBUBCHQ-PKOBYXMFSA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843051923 630608698 /nfs/dbraw/zinc/60/86/98/630608698.db2.gz MWBSZPGJMBJSAD-FUHWJXTLSA-N 2 1 301.478 3.236 20 10 DGCDMP CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000843052555 630608989 /nfs/dbraw/zinc/60/89/89/630608989.db2.gz NSKWXGWNTAHFHB-SFHVURJKSA-N 2 1 303.494 3.354 20 10 DGCDMP CCOc1ccc(O)c(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000843107203 630614539 /nfs/dbraw/zinc/61/45/39/630614539.db2.gz CILTXTAZBWSHJJ-UHFFFAOYSA-N 2 1 314.429 3.142 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126645 630616624 /nfs/dbraw/zinc/61/66/24/630616624.db2.gz MNOKTBBZQMJAGH-IEBWSBKVSA-N 2 1 315.505 3.273 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000843125221 630616735 /nfs/dbraw/zinc/61/67/35/630616735.db2.gz OKYAZNJCUAGJPP-ILEOKINWSA-N 2 1 313.489 3.087 20 10 DGCDMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(O)c1 ZINC000843127917 630616945 /nfs/dbraw/zinc/61/69/45/630616945.db2.gz UPWILJXLWVHZHM-CVEARBPZSA-N 2 1 318.461 3.003 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000843128284 630617246 /nfs/dbraw/zinc/61/72/46/630617246.db2.gz VQNBZNBQIBCDCR-IRXDYDNUSA-N 2 1 302.462 3.221 20 10 DGCDMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(N2CCCCC2)cc1 ZINC000844220477 630712696 /nfs/dbraw/zinc/71/26/96/630712696.db2.gz DWDRANFOJIHLDP-SFHVURJKSA-N 2 1 315.505 3.498 20 10 DGCDMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(F)cc(F)c1O ZINC000844925841 630988075 /nfs/dbraw/zinc/98/80/75/630988075.db2.gz VPXQLCADGKEAHC-SECBINFHSA-N 2 1 310.319 3.119 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000164395038 658930678 /nfs/dbraw/zinc/93/06/78/658930678.db2.gz DSPAFAQJGNULOQ-GOSISDBHSA-N 2 1 302.462 3.459 20 10 DGCDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173496082 659389553 /nfs/dbraw/zinc/38/95/53/659389553.db2.gz ANFHAZLQCXBICR-AWEZNQCLSA-N 2 1 320.477 3.169 20 10 DGCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173496082 659389554 /nfs/dbraw/zinc/38/95/54/659389554.db2.gz ANFHAZLQCXBICR-AWEZNQCLSA-N 2 1 320.477 3.169 20 10 DGCDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173496082 659389560 /nfs/dbraw/zinc/38/95/60/659389560.db2.gz ANFHAZLQCXBICR-AWEZNQCLSA-N 2 1 320.477 3.169 20 10 DGCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173496082 659389565 /nfs/dbraw/zinc/38/95/65/659389565.db2.gz ANFHAZLQCXBICR-AWEZNQCLSA-N 2 1 320.477 3.169 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000378951310 685146002 /nfs/dbraw/zinc/14/60/02/685146002.db2.gz HTXCXOPWJQOVRI-IEBWSBKVSA-N 2 1 301.478 3.249 20 10 DGCDMP Nc1ccc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC001356082672 1181138242 /nfs/dbraw/zinc/13/82/42/1181138242.db2.gz BOQVVVNFFKDQEU-VQIMIIECSA-N 2 1 301.478 3.388 20 10 DGCDMP CCCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC001461113845 1182769177 /nfs/dbraw/zinc/76/91/77/1182769177.db2.gz LQBWTXITWPAHER-UHFFFAOYSA-N 2 1 302.462 3.366 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(C)CCCC3)cc2F)CC1 ZINC001461179953 1182778194 /nfs/dbraw/zinc/77/81/94/1182778194.db2.gz HVMNZNRFXYAOQW-UHFFFAOYSA-N 2 1 319.468 3.247 20 10 DGCDMP CCC[C@H](C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001461729860 1182848404 /nfs/dbraw/zinc/84/84/04/1182848404.db2.gz SDFCCZLWPLHFAW-INIZCTEOSA-N 2 1 321.484 3.493 20 10 DGCDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001560291570 1189306389 /nfs/dbraw/zinc/30/63/89/1189306389.db2.gz WQJSTSOVPWNIBX-SFHVURJKSA-N 2 1 301.478 3.108 20 10 DGCDMP C[C@@H]([NH2+]Cc1cccc(F)c1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560749248 1189373900 /nfs/dbraw/zinc/37/39/00/1189373900.db2.gz DHFXHZRXYPNANJ-HIFRSBDPSA-N 2 1 306.425 3.274 20 10 DGCDMP C[C@@H]([NH2+]Cc1cccc(F)c1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749248 1189373908 /nfs/dbraw/zinc/37/39/08/1189373908.db2.gz DHFXHZRXYPNANJ-HIFRSBDPSA-N 2 1 306.425 3.274 20 10 DGCDMP CC(C)C1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001650645934 1195368362 /nfs/dbraw/zinc/36/83/62/1195368362.db2.gz WNMCDCJRAIMFSG-UHFFFAOYSA-N 2 1 319.468 3.103 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCC3CCC3)cc2F)CC1 ZINC001651339590 1195446202 /nfs/dbraw/zinc/44/62/02/1195446202.db2.gz DBZPIWAQBWRHMH-UHFFFAOYSA-N 2 1 319.468 3.247 20 10 DGCDMP Nc1cc[nH+]c(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001155631510 1089193657 /nfs/dbraw/zinc/19/36/57/1089193657.db2.gz ZUDLTGXWORQYAS-IXIUHKBRSA-N 2 1 324.472 3.063 20 10 DGCDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001203680186 1090778706 /nfs/dbraw/zinc/77/87/06/1090778706.db2.gz JHQOJEVRYYOQQU-DLBZAZTESA-N 2 1 318.461 3.240 20 10 DGCDMP COc1ccc(O)c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001203680186 1090778707 /nfs/dbraw/zinc/77/87/07/1090778707.db2.gz JHQOJEVRYYOQQU-DLBZAZTESA-N 2 1 318.461 3.240 20 10 DGCDMP COc1ccc(O)c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001203680186 1090778710 /nfs/dbraw/zinc/77/87/10/1090778710.db2.gz JHQOJEVRYYOQQU-DLBZAZTESA-N 2 1 318.461 3.240 20 10 DGCDMP c1ccc([C@H]2CC[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001205340168 1091192682 /nfs/dbraw/zinc/19/26/82/1091192682.db2.gz PRSNNBRQCRVCGP-FQEVSTJZSA-N 2 1 321.468 3.086 20 10 DGCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001205570980 1091259132 /nfs/dbraw/zinc/25/91/32/1091259132.db2.gz RCQBVUIHCQXXIX-GOSISDBHSA-N 2 1 302.393 3.198 20 10 DGCDMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001205904959 1091403553 /nfs/dbraw/zinc/40/35/53/1091403553.db2.gz YUAFNBPIKTXGIK-JKSUJKDBSA-N 2 1 311.473 3.465 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCC[C@H]1C[NH3+] ZINC001205993490 1091439574 /nfs/dbraw/zinc/43/95/74/1091439574.db2.gz HUGBBOXACYZIFG-WMZOPIPTSA-N 2 1 301.478 3.094 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001205991478 1091440093 /nfs/dbraw/zinc/44/00/93/1091440093.db2.gz BAOLFNIEIWFNHQ-AEFFLSMTSA-N 2 1 303.494 3.340 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c(O)c1 ZINC001206003473 1091446008 /nfs/dbraw/zinc/44/60/08/1091446008.db2.gz IIGJHMLRQWHGEH-JKSUJKDBSA-N 2 1 319.493 3.045 20 10 DGCDMP Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(C)n1-c1ccccc1 ZINC001206164217 1091516501 /nfs/dbraw/zinc/51/65/01/1091516501.db2.gz JPTVRVOZRUVHIA-MOPGFXCFSA-N 2 1 315.436 3.355 20 10 DGCDMP Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(C)n1-c1ccccc1 ZINC001206164217 1091516505 /nfs/dbraw/zinc/51/65/05/1091516505.db2.gz JPTVRVOZRUVHIA-MOPGFXCFSA-N 2 1 315.436 3.355 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206163895 1091516971 /nfs/dbraw/zinc/51/69/71/1091516971.db2.gz HGGDAETVBFKNTR-RTBURBONSA-N 2 1 315.436 3.355 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1 ZINC001206163895 1091516980 /nfs/dbraw/zinc/51/69/80/1091516980.db2.gz HGGDAETVBFKNTR-RTBURBONSA-N 2 1 315.436 3.355 20 10 DGCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC001139408073 1091552477 /nfs/dbraw/zinc/55/24/77/1091552477.db2.gz JHDGNYRVFGIJKE-ZWKOTPCHSA-N 2 1 315.505 3.306 20 10 DGCDMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001206770070 1091734230 /nfs/dbraw/zinc/73/42/30/1091734230.db2.gz QIJDBNRHYAFBGI-HOTGVXAUSA-N 2 1 311.473 3.465 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC001140300397 1091818317 /nfs/dbraw/zinc/81/83/17/1091818317.db2.gz OCDVCRYFRWMGRL-UHFFFAOYSA-N 2 1 323.484 3.461 20 10 DGCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(O)c(C)c2O)CC1 ZINC001140749743 1091985631 /nfs/dbraw/zinc/98/56/31/1091985631.db2.gz LJYOPEMJKNSXNE-UHFFFAOYSA-N 2 1 306.450 3.103 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](CC)CCC[NH+](C)C)c(O)c1 ZINC001140857635 1092033302 /nfs/dbraw/zinc/03/33/02/1092033302.db2.gz UXRDUWYGZOWGMR-UHFFFAOYSA-N 2 1 307.482 3.012 20 10 DGCDMP CCc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001276804880 1094976265 /nfs/dbraw/zinc/97/62/65/1094976265.db2.gz MRMILYLOKKILKA-IBGZPJMESA-N 2 1 302.462 3.262 20 10 DGCDMP CCc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(O)c1 ZINC001276804880 1094976279 /nfs/dbraw/zinc/97/62/79/1094976279.db2.gz MRMILYLOKKILKA-IBGZPJMESA-N 2 1 302.462 3.262 20 10 DGCDMP COc1ccc(O)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222162007 1095468787 /nfs/dbraw/zinc/46/87/87/1095468787.db2.gz VXWUJPGMZZQPGA-LJQANCHMSA-N 2 1 318.461 3.147 20 10 DGCDMP Cc1ccc(O)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167053 1095471146 /nfs/dbraw/zinc/47/11/46/1095471146.db2.gz HFRHSLJDJDIULX-LJQANCHMSA-N 2 1 302.462 3.446 20 10 DGCDMP Oc1c(C[NH+]2CC3(C2)CCC[NH2+]C3)cccc1-c1ccccc1 ZINC001222339987 1095559912 /nfs/dbraw/zinc/55/99/12/1095559912.db2.gz KFCGZYSOMYEMON-UHFFFAOYSA-N 2 1 308.425 3.245 20 10 DGCDMP CC(C)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001118564671 1096037858 /nfs/dbraw/zinc/03/78/58/1096037858.db2.gz DSZSIDZHBUUVPW-IBGZPJMESA-N 2 1 319.468 3.102 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)c2ccccc21 ZINC001206167020 1097193117 /nfs/dbraw/zinc/19/31/17/1097193117.db2.gz WAQLGYHBIAZLGY-QZTJIDSGSA-N 2 1 315.436 3.167 20 10 DGCDMP CN(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2ccccc21 ZINC001206167020 1097193119 /nfs/dbraw/zinc/19/31/19/1097193119.db2.gz WAQLGYHBIAZLGY-QZTJIDSGSA-N 2 1 315.436 3.167 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2ccccc21 ZINC001206167020 1097193125 /nfs/dbraw/zinc/19/31/25/1097193125.db2.gz WAQLGYHBIAZLGY-QZTJIDSGSA-N 2 1 315.436 3.167 20 10 DGCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4ccccc4c3O)C[C@@H]2C1 ZINC001231883572 1097878641 /nfs/dbraw/zinc/87/86/41/1097878641.db2.gz PWSRUNCPMYGSLY-HDICACEKSA-N 2 1 310.441 3.319 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3O)C[C@@H]2C1 ZINC001231883572 1097878648 /nfs/dbraw/zinc/87/86/48/1097878648.db2.gz PWSRUNCPMYGSLY-HDICACEKSA-N 2 1 310.441 3.319 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@@H]2C1 ZINC001231883572 1097878655 /nfs/dbraw/zinc/87/86/55/1097878655.db2.gz PWSRUNCPMYGSLY-HDICACEKSA-N 2 1 310.441 3.319 20 10 DGCDMP C[NH+](C)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233418083 1098322809 /nfs/dbraw/zinc/32/28/09/1098322809.db2.gz SJGYLFBMQOUKNQ-UHFFFAOYSA-N 2 1 316.367 3.185 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2F)CC1 ZINC001177542012 1098553003 /nfs/dbraw/zinc/55/30/03/1098553003.db2.gz JDBZGOCRFPWRAN-INIZCTEOSA-N 2 1 317.452 3.023 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1N(C)C ZINC001235044813 1098771083 /nfs/dbraw/zinc/77/10/83/1098771083.db2.gz KVVLLEIYCUYNKA-LJQANCHMSA-N 2 1 301.478 3.169 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CCCC23CC[NH2+]CC3)c1O ZINC001235144840 1098835784 /nfs/dbraw/zinc/83/57/84/1098835784.db2.gz PYSLPXILUNPXCK-UHFFFAOYSA-N 2 1 302.462 3.408 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235153382 1098838668 /nfs/dbraw/zinc/83/86/68/1098838668.db2.gz SATZNRZZJLSJNS-INIZCTEOSA-N 2 1 308.853 3.400 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c(O)c1 ZINC001235405912 1099001486 /nfs/dbraw/zinc/00/14/86/1099001486.db2.gz POTZZHBJIAWTES-HKUYNNGSSA-N 2 1 320.452 3.213 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c(O)c1 ZINC001235405913 1099002901 /nfs/dbraw/zinc/00/29/01/1099002901.db2.gz POTZZHBJIAWTES-IEBWSBKVSA-N 2 1 320.452 3.213 20 10 DGCDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(C(F)(F)F)ccc1O ZINC001235718019 1099144226 /nfs/dbraw/zinc/14/42/26/1099144226.db2.gz SCMZPBJWKZDHFN-UHFFFAOYSA-N 2 1 316.367 3.233 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c(O)c1 ZINC001235716687 1099144300 /nfs/dbraw/zinc/14/43/00/1099144300.db2.gz GAEFKETZJYQCGP-UHFFFAOYSA-N 2 1 319.493 3.060 20 10 DGCDMP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001236049580 1099352502 /nfs/dbraw/zinc/35/25/02/1099352502.db2.gz FXCVZZZWRCIVTC-SCLBCKFNSA-N 2 1 314.404 3.367 20 10 DGCDMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001236049580 1099352514 /nfs/dbraw/zinc/35/25/14/1099352514.db2.gz FXCVZZZWRCIVTC-SCLBCKFNSA-N 2 1 314.404 3.367 20 10 DGCDMP C[N@H+](Cc1cc(C(F)(F)F)ccc1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216405 1099472527 /nfs/dbraw/zinc/47/25/27/1099472527.db2.gz KFINROBZZRTBQD-OLZOCXBDSA-N 2 1 302.340 3.113 20 10 DGCDMP C[N@@H+](Cc1cc(C(F)(F)F)ccc1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216405 1099472530 /nfs/dbraw/zinc/47/25/30/1099472530.db2.gz KFINROBZZRTBQD-OLZOCXBDSA-N 2 1 302.340 3.113 20 10 DGCDMP C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220453 1099478666 /nfs/dbraw/zinc/47/86/66/1099478666.db2.gz ZFCHZGNVENKZGW-JKSUJKDBSA-N 2 1 316.445 3.278 20 10 DGCDMP C[N@@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236220453 1099478672 /nfs/dbraw/zinc/47/86/72/1099478672.db2.gz ZFCHZGNVENKZGW-JKSUJKDBSA-N 2 1 316.445 3.278 20 10 DGCDMP Cc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc1N(C)C ZINC001236599916 1099694902 /nfs/dbraw/zinc/69/49/02/1099694902.db2.gz WZUFZTANJLUHCM-KRWDZBQOSA-N 2 1 301.478 3.025 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)[C@@H](C)C1 ZINC001236939664 1099882127 /nfs/dbraw/zinc/88/21/27/1099882127.db2.gz UCWBWXHQKIBNIK-HOTGVXAUSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)[C@H]1C ZINC001236938244 1099882920 /nfs/dbraw/zinc/88/29/20/1099882920.db2.gz IMRINUWJJJFHBK-HOTGVXAUSA-N 2 1 319.468 3.198 20 10 DGCDMP Oc1c(F)cccc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236949542 1099888385 /nfs/dbraw/zinc/88/83/85/1099888385.db2.gz WHVNQTWKJSIEAD-UHFFFAOYSA-N 2 1 306.425 3.133 20 10 DGCDMP C[N@@H+](Cc1c(O)ccc(Cl)c1Cl)CC1CC[NH+](C)CC1 ZINC001237082118 1099961036 /nfs/dbraw/zinc/96/10/36/1099961036.db2.gz PZJBKMSEWLXICJ-UHFFFAOYSA-N 2 1 317.260 3.473 20 10 DGCDMP C[N@H+](Cc1c(O)ccc(Cl)c1Cl)CC1CC[NH+](C)CC1 ZINC001237082118 1099961051 /nfs/dbraw/zinc/96/10/51/1099961051.db2.gz PZJBKMSEWLXICJ-UHFFFAOYSA-N 2 1 317.260 3.473 20 10 DGCDMP C[NH+]1CC2(C1)CC[NH+](Cc1c(O)ccc(Cl)c1Cl)CC2 ZINC001237084894 1099965384 /nfs/dbraw/zinc/96/53/84/1099965384.db2.gz QMXQYSOLUPBCCO-UHFFFAOYSA-N 2 1 315.244 3.227 20 10 DGCDMP Cc1cccc(O)c1C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237300497 1100069447 /nfs/dbraw/zinc/06/94/47/1100069447.db2.gz MRQRSAFSGMJYSL-UHFFFAOYSA-N 2 1 322.452 3.338 20 10 DGCDMP Cc1cc(F)cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1O ZINC001238062366 1100346049 /nfs/dbraw/zinc/34/60/49/1100346049.db2.gz PGUSXQQVZNXMIE-UHFFFAOYSA-N 2 1 308.441 3.392 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246919299 1104737725 /nfs/dbraw/zinc/73/77/25/1104737725.db2.gz GXOOZZWTIBOAMD-DZFIZOCASA-N 2 1 301.478 3.248 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC001275833166 1104926189 /nfs/dbraw/zinc/92/61/89/1104926189.db2.gz ANKVAMZUSNPQKD-FQEVSTJZSA-N 2 1 315.505 3.451 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001275833166 1104926191 /nfs/dbraw/zinc/92/61/91/1104926191.db2.gz ANKVAMZUSNPQKD-FQEVSTJZSA-N 2 1 315.505 3.451 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001275833166 1104926195 /nfs/dbraw/zinc/92/61/95/1104926195.db2.gz ANKVAMZUSNPQKD-FQEVSTJZSA-N 2 1 315.505 3.451 20 10 DGCDMP C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321185255 1107277479 /nfs/dbraw/zinc/27/74/79/1107277479.db2.gz PZWRHAFKVUSIHC-WBVHZDCISA-N 2 1 319.468 3.103 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3CCCCC3)cc2F)CC1 ZINC001308179929 1111392059 /nfs/dbraw/zinc/39/20/59/1111392059.db2.gz RLINWRZQVDXKMP-UHFFFAOYSA-N 2 1 319.468 3.247 20 10 DGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OCC)ccc2O)CC1 ZINC000092165825 193169435 /nfs/dbraw/zinc/16/94/35/193169435.db2.gz KODYODJUFMBINU-UHFFFAOYSA-N 2 1 306.450 3.097 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563586 193268722 /nfs/dbraw/zinc/26/87/22/193268722.db2.gz OVXSOFGSFCSXOO-IBGZPJMESA-N 2 1 301.478 3.203 20 10 DGCDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC000273540853 130134302 /nfs/dbraw/zinc/13/43/02/130134302.db2.gz YEEQBFZEOOFPII-CQSZACIVSA-N 2 1 300.446 3.184 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192696832 432402389 /nfs/dbraw/zinc/40/23/89/432402389.db2.gz XJNWSTVQXMXQTI-JLYLLQBASA-N 2 1 301.478 3.248 20 10 DGCDMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000192932262 432431431 /nfs/dbraw/zinc/43/14/31/432431431.db2.gz FCPIPKLZFHMWEW-IBGZPJMESA-N 2 1 322.452 3.233 20 10 DGCDMP Oc1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279172320 432941805 /nfs/dbraw/zinc/94/18/05/432941805.db2.gz BYIQQGZBVBCESJ-UHFFFAOYSA-N 2 1 311.429 3.305 20 10 DGCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000292796225 433594596 /nfs/dbraw/zinc/59/45/96/433594596.db2.gz MZYKIQVCPIWSRG-FQEVSTJZSA-N 2 1 313.489 3.205 20 10 DGCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000292796225 433594601 /nfs/dbraw/zinc/59/46/01/433594601.db2.gz MZYKIQVCPIWSRG-FQEVSTJZSA-N 2 1 313.489 3.205 20 10 DGCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC000292796225 433594606 /nfs/dbraw/zinc/59/46/06/433594606.db2.gz MZYKIQVCPIWSRG-FQEVSTJZSA-N 2 1 313.489 3.205 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000377704682 433969326 /nfs/dbraw/zinc/96/93/26/433969326.db2.gz YAYJZMHZMJYXSN-UHFFFAOYSA-N 2 1 324.472 3.248 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1F ZINC000742385874 574994943 /nfs/dbraw/zinc/99/49/43/574994943.db2.gz ZJQUHXCEACBORD-QAPCUYQASA-N 2 1 321.484 3.492 20 10 DGCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(O)ccc3ccncc32)C1 ZINC000743390693 575049313 /nfs/dbraw/zinc/04/93/13/575049313.db2.gz UXHXSQQJRSACNW-HNNXBMFYSA-N 2 1 313.445 3.104 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000743390693 575049316 /nfs/dbraw/zinc/04/93/16/575049316.db2.gz UXHXSQQJRSACNW-HNNXBMFYSA-N 2 1 313.445 3.104 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000743390693 575049318 /nfs/dbraw/zinc/04/93/18/575049318.db2.gz UXHXSQQJRSACNW-HNNXBMFYSA-N 2 1 313.445 3.104 20 10 DGCDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3c(cc2O)CCC3)C1 ZINC000746381333 575448874 /nfs/dbraw/zinc/44/88/74/575448874.db2.gz HPEUWCXYWBMMGF-MRXNPFEDSA-N 2 1 314.473 3.045 20 10 DGCDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000746381333 575448877 /nfs/dbraw/zinc/44/88/77/575448877.db2.gz HPEUWCXYWBMMGF-MRXNPFEDSA-N 2 1 314.473 3.045 20 10 DGCDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000746381333 575448880 /nfs/dbraw/zinc/44/88/80/575448880.db2.gz HPEUWCXYWBMMGF-MRXNPFEDSA-N 2 1 314.473 3.045 20 10 DGCDMP Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093794 620668181 /nfs/dbraw/zinc/66/81/81/620668181.db2.gz RJJBDHJJTLUURJ-AWEZNQCLSA-N 2 1 308.853 3.257 20 10 DGCDMP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854227420 620786301 /nfs/dbraw/zinc/78/63/01/620786301.db2.gz OILACKSEMMNHLL-MOMVYJMYSA-N 2 1 322.452 3.408 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000894044005 618698722 /nfs/dbraw/zinc/69/87/22/618698722.db2.gz HPYDSVDCAQGCFT-ZBFHGGJFSA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000894044005 618698725 /nfs/dbraw/zinc/69/87/25/618698725.db2.gz HPYDSVDCAQGCFT-ZBFHGGJFSA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000894044005 618698727 /nfs/dbraw/zinc/69/87/27/618698727.db2.gz HPYDSVDCAQGCFT-ZBFHGGJFSA-N 2 1 306.450 3.014 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841086264 620225006 /nfs/dbraw/zinc/22/50/06/620225006.db2.gz GWMRLOOMHJDTEW-CJNGLKHVSA-N 2 1 308.853 3.318 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000839182849 621343681 /nfs/dbraw/zinc/34/36/81/621343681.db2.gz QPFDCHTUEQSOOH-WLPBJKJWSA-N 2 1 301.478 3.087 20 10 DGCDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839182836 621343933 /nfs/dbraw/zinc/34/39/33/621343933.db2.gz QCOJWVQIEADDDX-IBGZPJMESA-N 2 1 315.505 3.498 20 10 DGCDMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2c1c(F)ccc2O ZINC000756368883 621631921 /nfs/dbraw/zinc/63/19/21/621631921.db2.gz RJZKQXXINGVUTA-IAQYHMDHSA-N 2 1 304.409 3.296 20 10 DGCDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2c1c(F)ccc2O ZINC000756416034 621636968 /nfs/dbraw/zinc/63/69/68/621636968.db2.gz GIIFYOKAJFILNV-OSFYFWSMSA-N 2 1 304.409 3.296 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000760808387 621966710 /nfs/dbraw/zinc/96/67/10/621966710.db2.gz JZRPIZNRBNHXHC-UHFFFAOYSA-N 2 1 303.494 3.451 20 10 DGCDMP CC[N@@H+](CCC1CC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000761225389 621995824 /nfs/dbraw/zinc/99/58/24/621995824.db2.gz GOEUPQBSAUWNJF-UHFFFAOYSA-N 2 1 301.478 3.060 20 10 DGCDMP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1O ZINC000873235082 623085879 /nfs/dbraw/zinc/08/58/79/623085879.db2.gz KRGIGLWMBOWITO-BBRMVZONSA-N 2 1 302.393 3.142 20 10 DGCDMP CC(C)[C@@H](C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775637300 623300708 /nfs/dbraw/zinc/30/07/08/623300708.db2.gz ONUJEFQJIOMOFM-QGZVFWFLSA-N 2 1 315.505 3.447 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3C(C)(C)C)cc2)CC1 ZINC000775678993 623311946 /nfs/dbraw/zinc/31/19/46/623311946.db2.gz KVZAZOADAFUTBL-IBGZPJMESA-N 2 1 315.505 3.449 20 10 DGCDMP CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775708877 623317373 /nfs/dbraw/zinc/31/73/73/623317373.db2.gz PIJJXCCBOLAPTF-SJLPKXTDSA-N 2 1 301.478 3.059 20 10 DGCDMP CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775998174 623362306 /nfs/dbraw/zinc/36/23/06/623362306.db2.gz DSLQLOWRMGPSCY-APWZRJJASA-N 2 1 301.478 3.059 20 10 DGCDMP CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775998177 623362759 /nfs/dbraw/zinc/36/27/59/623362759.db2.gz DSLQLOWRMGPSCY-LPHOPBHVSA-N 2 1 301.478 3.059 20 10 DGCDMP Cc1cccc(O)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000876894214 623738372 /nfs/dbraw/zinc/73/83/72/623738372.db2.gz MHEPTSWAEHKADJ-UHFFFAOYSA-N 2 1 310.441 3.455 20 10 DGCDMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000877486949 623908233 /nfs/dbraw/zinc/90/82/33/623908233.db2.gz ONGMDDVJJDMDHH-SFHVURJKSA-N 2 1 310.441 3.312 20 10 DGCDMP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(C(F)(F)F)c1O ZINC000788574405 625218029 /nfs/dbraw/zinc/21/80/29/625218029.db2.gz SZLURFALCMJYCU-NSHDSACASA-N 2 1 304.356 3.403 20 10 DGCDMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882981728 625882166 /nfs/dbraw/zinc/88/21/66/625882166.db2.gz RXMRHDBUCDLXNX-UHFFFAOYSA-N 2 1 320.383 3.412 20 10 DGCDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882981728 625882171 /nfs/dbraw/zinc/88/21/71/625882171.db2.gz RXMRHDBUCDLXNX-UHFFFAOYSA-N 2 1 320.383 3.412 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000796772262 626081167 /nfs/dbraw/zinc/08/11/67/626081167.db2.gz PQWIAKNWJBEUHB-GUDVDZBRSA-N 2 1 301.478 3.023 20 10 DGCDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4c(cc3O)CCCC4)C2)C1 ZINC000840085984 626751697 /nfs/dbraw/zinc/75/16/97/626751697.db2.gz JIDGCIIPMLNDKU-HXUWFJFHSA-N 2 1 314.473 3.189 20 10 DGCDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)C1 ZINC000840085984 626751699 /nfs/dbraw/zinc/75/16/99/626751699.db2.gz JIDGCIIPMLNDKU-HXUWFJFHSA-N 2 1 314.473 3.189 20 10 DGCDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4c(cc3O)CCCC4)C2)C1 ZINC000840085984 626751701 /nfs/dbraw/zinc/75/17/01/626751701.db2.gz JIDGCIIPMLNDKU-HXUWFJFHSA-N 2 1 314.473 3.189 20 10 DGCDMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1c(O)cccc1F ZINC000886496753 627153182 /nfs/dbraw/zinc/15/31/82/627153182.db2.gz GOMAQCUBOYNHHG-ZDUSSCGKSA-N 2 1 302.393 3.444 20 10 DGCDMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817945721 627970634 /nfs/dbraw/zinc/97/06/34/627970634.db2.gz KHTDIWDQOOKLFM-MNOVXSKESA-N 2 1 302.340 3.061 20 10 DGCDMP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Cl)c(Cl)cc1O ZINC000817955028 627973649 /nfs/dbraw/zinc/97/36/49/627973649.db2.gz OXGNEOSMQJDVDJ-ZJUUUORDSA-N 2 1 303.233 3.349 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000824933041 628708859 /nfs/dbraw/zinc/70/88/59/628708859.db2.gz ATLPQPPEKUDHKR-CJNGLKHVSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000824933041 628708861 /nfs/dbraw/zinc/70/88/61/628708861.db2.gz ATLPQPPEKUDHKR-CJNGLKHVSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000824933041 628708862 /nfs/dbraw/zinc/70/88/62/628708862.db2.gz ATLPQPPEKUDHKR-CJNGLKHVSA-N 2 1 308.853 3.270 20 10 DGCDMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2c1c(F)ccc2O ZINC000834891798 629799370 /nfs/dbraw/zinc/79/93/70/629799370.db2.gz JLWKUFLMGFCRAN-HHQTYALHSA-N 2 1 304.409 3.294 20 10 DGCDMP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027153 629829109 /nfs/dbraw/zinc/82/91/09/629829109.db2.gz BOPKRLAASPNWRN-DKFQHHCZSA-N 2 1 301.478 3.039 20 10 DGCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027153 629829111 /nfs/dbraw/zinc/82/91/11/629829111.db2.gz BOPKRLAASPNWRN-DKFQHHCZSA-N 2 1 301.478 3.039 20 10 DGCDMP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027153 629829113 /nfs/dbraw/zinc/82/91/13/629829113.db2.gz BOPKRLAASPNWRN-DKFQHHCZSA-N 2 1 301.478 3.039 20 10 DGCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027153 629829115 /nfs/dbraw/zinc/82/91/15/629829115.db2.gz BOPKRLAASPNWRN-DKFQHHCZSA-N 2 1 301.478 3.039 20 10 DGCDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835052293 629837036 /nfs/dbraw/zinc/83/70/36/629837036.db2.gz BZSDSOCFRKMSGC-QWNKOJSDSA-N 2 1 301.478 3.086 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000835055623 629839476 /nfs/dbraw/zinc/83/94/76/629839476.db2.gz LVVDZWJBCMFFPT-RDBXKPKDSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000835055623 629839480 /nfs/dbraw/zinc/83/94/80/629839480.db2.gz LVVDZWJBCMFFPT-RDBXKPKDSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000835055623 629839485 /nfs/dbraw/zinc/83/94/85/629839485.db2.gz LVVDZWJBCMFFPT-RDBXKPKDSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000835055623 629839487 /nfs/dbraw/zinc/83/94/87/629839487.db2.gz LVVDZWJBCMFFPT-RDBXKPKDSA-N 2 1 313.489 3.184 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000840892567 630373728 /nfs/dbraw/zinc/37/37/28/630373728.db2.gz BANNPEGDYXNGQR-XYJFISCASA-N 2 1 303.494 3.064 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000840892567 630373733 /nfs/dbraw/zinc/37/37/33/630373733.db2.gz BANNPEGDYXNGQR-XYJFISCASA-N 2 1 303.494 3.064 20 10 DGCDMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000841028606 630398358 /nfs/dbraw/zinc/39/83/58/630398358.db2.gz FKQHMDPNWPMDEE-SNVBAGLBSA-N 2 1 308.784 3.494 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000841087457 630405952 /nfs/dbraw/zinc/40/59/52/630405952.db2.gz NWNXDBPYONRKDA-RJOJHWARSA-N 2 1 313.489 3.230 20 10 DGCDMP CN(C)c1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)c(C(F)(F)F)c1 ZINC000841087159 630406141 /nfs/dbraw/zinc/40/61/41/630406141.db2.gz JQJUSKYJSLRCET-CQSZACIVSA-N 2 1 317.399 3.234 20 10 DGCDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000844902219 630970711 /nfs/dbraw/zinc/97/07/11/630970711.db2.gz LVZRFUBYAUSSMG-ICSRJNTNSA-N 2 1 313.489 3.238 20 10 DGCDMP CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc(F)cc1O ZINC000844924648 630986251 /nfs/dbraw/zinc/98/62/51/630986251.db2.gz PGNVKRNHZNLCLR-QGZVFWFLSA-N 2 1 302.393 3.492 20 10 DGCDMP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000846155982 631212559 /nfs/dbraw/zinc/21/25/59/631212559.db2.gz JLEDUOVQPXTYOO-JKSUJKDBSA-N 2 1 320.477 3.419 20 10 DGCDMP CCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccc1O ZINC000846218699 631215517 /nfs/dbraw/zinc/21/55/17/631215517.db2.gz RCVHODLBDMOGMZ-UHFFFAOYSA-N 2 1 310.441 3.450 20 10 DGCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160315354 655606052 /nfs/dbraw/zinc/60/60/52/655606052.db2.gz KNCFPCYIZHAARW-INIZCTEOSA-N 2 1 316.489 3.435 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160315354 655606053 /nfs/dbraw/zinc/60/60/53/655606053.db2.gz KNCFPCYIZHAARW-INIZCTEOSA-N 2 1 316.489 3.435 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160315354 655606054 /nfs/dbraw/zinc/60/60/54/655606054.db2.gz KNCFPCYIZHAARW-INIZCTEOSA-N 2 1 316.489 3.435 20 10 DGCDMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)CC1 ZINC000180001339 659949346 /nfs/dbraw/zinc/94/93/46/659949346.db2.gz VXJMLLBJPZWCBY-MRXNPFEDSA-N 2 1 320.452 3.475 20 10 DGCDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)CC1 ZINC000180001339 659949347 /nfs/dbraw/zinc/94/93/47/659949347.db2.gz VXJMLLBJPZWCBY-MRXNPFEDSA-N 2 1 320.452 3.475 20 10 DGCDMP CC[NH+](CC)CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000191811621 662081351 /nfs/dbraw/zinc/08/13/51/662081351.db2.gz APKCXRKKZHXLIM-GOSISDBHSA-N 2 1 320.477 3.105 20 10 DGCDMP CC[NH+](CC)CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000191811621 662081353 /nfs/dbraw/zinc/08/13/53/662081353.db2.gz APKCXRKKZHXLIM-GOSISDBHSA-N 2 1 320.477 3.105 20 10 DGCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3O)CCCC4)CC[C@H]21 ZINC000245547884 662236190 /nfs/dbraw/zinc/23/61/90/662236190.db2.gz WSYMHDFXUPCKEP-PKOBYXMFSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CC[C@H]21 ZINC000245547884 662236192 /nfs/dbraw/zinc/23/61/92/662236192.db2.gz WSYMHDFXUPCKEP-PKOBYXMFSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4c(cc3O)CCCC4)CC[C@H]21 ZINC000245547884 662236195 /nfs/dbraw/zinc/23/61/95/662236195.db2.gz WSYMHDFXUPCKEP-PKOBYXMFSA-N 2 1 314.473 3.187 20 10 DGCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C(C)(C)C)c3O)C[C@H]2CC1 ZINC001275799847 1177939285 /nfs/dbraw/zinc/93/92/85/1177939285.db2.gz UIXZOHOXQITTOO-IYBDPMFKSA-N 2 1 316.489 3.463 20 10 DGCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3O)C[C@H]2CC1 ZINC001275799847 1177939297 /nfs/dbraw/zinc/93/92/97/1177939297.db2.gz UIXZOHOXQITTOO-IYBDPMFKSA-N 2 1 316.489 3.463 20 10 DGCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3O)C[C@H]2CC1 ZINC001275799847 1177939309 /nfs/dbraw/zinc/93/93/09/1177939309.db2.gz UIXZOHOXQITTOO-IYBDPMFKSA-N 2 1 316.489 3.463 20 10 DGCDMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001346193864 1179667733 /nfs/dbraw/zinc/66/77/33/1179667733.db2.gz AQWOTUQFQRJQRU-UHFFFAOYSA-N 2 1 303.494 3.354 20 10 DGCDMP Nc1ccc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC001356082669 1181139111 /nfs/dbraw/zinc/13/91/11/1181139111.db2.gz BOQVVVNFFKDQEU-APWZRJJASA-N 2 1 301.478 3.388 20 10 DGCDMP CC[NH+](CC)CCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001657023751 1196093781 /nfs/dbraw/zinc/09/37/81/1196093781.db2.gz OZGNZQJGMPZNCV-UHFFFAOYSA-N 2 1 303.494 3.449 20 10 DGCDMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203665643 1090776237 /nfs/dbraw/zinc/77/62/37/1090776237.db2.gz QXOOHVOJOHGIED-UHFFFAOYSA-N 2 1 317.820 3.071 20 10 DGCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(C(C)(C)C)ccc3O)C[C@H]2CC1 ZINC001276445523 1090911128 /nfs/dbraw/zinc/91/11/28/1090911128.db2.gz ODLPCABLOVJNSA-IYBDPMFKSA-N 2 1 316.489 3.463 20 10 DGCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@H]2CC1 ZINC001276445523 1090911130 /nfs/dbraw/zinc/91/11/30/1090911130.db2.gz ODLPCABLOVJNSA-IYBDPMFKSA-N 2 1 316.489 3.463 20 10 DGCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@H]2CC1 ZINC001276445523 1090911135 /nfs/dbraw/zinc/91/11/35/1090911135.db2.gz ODLPCABLOVJNSA-IYBDPMFKSA-N 2 1 316.489 3.463 20 10 DGCDMP C[C@@]1([NH3+])CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001204801904 1091039058 /nfs/dbraw/zinc/03/90/58/1091039058.db2.gz WGVRIHTVOWDHRH-GOSISDBHSA-N 2 1 300.377 3.121 20 10 DGCDMP C[C@@]1([NH3+])CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001204801904 1091039063 /nfs/dbraw/zinc/03/90/63/1091039063.db2.gz WGVRIHTVOWDHRH-GOSISDBHSA-N 2 1 300.377 3.121 20 10 DGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)CCCN2C ZINC001138359210 1091152869 /nfs/dbraw/zinc/15/28/69/1091152869.db2.gz NPPQRWNHJJHWIW-UHFFFAOYSA-N 2 1 303.494 3.233 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(OC)c1 ZINC001205264771 1091155343 /nfs/dbraw/zinc/15/53/43/1091155343.db2.gz LUYWWEXDHZYPFA-IBGZPJMESA-N 2 1 319.493 3.245 20 10 DGCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001205274370 1091161299 /nfs/dbraw/zinc/16/12/99/1091161299.db2.gz WDKDKHPNSAIKTJ-FQEVSTJZSA-N 2 1 313.489 3.089 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Cl ZINC001205571782 1091260411 /nfs/dbraw/zinc/26/04/11/1091260411.db2.gz XQWXKKGIXQRXCZ-HNNXBMFYSA-N 2 1 300.805 3.007 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c(O)c1 ZINC001205582933 1091266503 /nfs/dbraw/zinc/26/65/03/1091266503.db2.gz ZUBJJJFLWBAOPF-GOSISDBHSA-N 2 1 308.441 3.343 20 10 DGCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc3ccccc3cc2O)CC1 ZINC001205581529 1091266893 /nfs/dbraw/zinc/26/68/93/1091266893.db2.gz VGWJJFKXEGOQEC-GOSISDBHSA-N 2 1 302.393 3.198 20 10 DGCDMP COc1cc(C[N@H+]2CCCC[C@@](C)(F)C2)cc(C[NH+](C)C)c1O ZINC001139254079 1091501628 /nfs/dbraw/zinc/50/16/28/1091501628.db2.gz CWRGCZOKBHLAJE-GOSISDBHSA-N 2 1 324.440 3.177 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@@H]2C(C)C)cc(C[NH+](C)C)c1O ZINC001139259067 1091503609 /nfs/dbraw/zinc/50/36/09/1091503609.db2.gz GYOPNSVWZZVLDY-MRXNPFEDSA-N 2 1 306.450 3.083 20 10 DGCDMP COc1cc(C[N@@H+](C)CC2CCCCC2)cc(C[NH+](C)C)c1O ZINC001139258811 1091504557 /nfs/dbraw/zinc/50/45/57/1091504557.db2.gz XAYCYQLBVWCUHC-UHFFFAOYSA-N 2 1 320.477 3.475 20 10 DGCDMP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(C)n1-c1ccccc1 ZINC001206164218 1091516766 /nfs/dbraw/zinc/51/67/66/1091516766.db2.gz JPTVRVOZRUVHIA-OALUTQOASA-N 2 1 315.436 3.355 20 10 DGCDMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(C)n1-c1ccccc1 ZINC001206164218 1091516774 /nfs/dbraw/zinc/51/67/74/1091516774.db2.gz JPTVRVOZRUVHIA-OALUTQOASA-N 2 1 315.436 3.355 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(F)CC3)cc2)CC1 ZINC001139408392 1091551443 /nfs/dbraw/zinc/55/14/43/1091551443.db2.gz LHDVGJSURSCWOE-IBGZPJMESA-N 2 1 319.468 3.153 20 10 DGCDMP Cc1c(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c2ccccc2n1C ZINC001206344639 1091586689 /nfs/dbraw/zinc/58/66/89/1091586689.db2.gz VKWRDUJFRVFPEK-GOSISDBHSA-N 2 1 303.425 3.140 20 10 DGCDMP Cc1c(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c2ccccc2n1C ZINC001206344639 1091586697 /nfs/dbraw/zinc/58/66/97/1091586697.db2.gz VKWRDUJFRVFPEK-GOSISDBHSA-N 2 1 303.425 3.140 20 10 DGCDMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001206362730 1091600063 /nfs/dbraw/zinc/60/00/63/1091600063.db2.gz QEBOKJSCROCIJU-GOSISDBHSA-N 2 1 302.393 3.198 20 10 DGCDMP Cc1cc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)ccc1N(C)C ZINC001206588604 1091679486 /nfs/dbraw/zinc/67/94/86/1091679486.db2.gz CMGCTUNHFOYWCP-SFHVURJKSA-N 2 1 303.494 3.414 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](C)CC34CC4)cc2)CC1 ZINC001140305515 1091820501 /nfs/dbraw/zinc/82/05/01/1091820501.db2.gz AIHMNYDEHBSXFL-KRWDZBQOSA-N 2 1 313.489 3.203 20 10 DGCDMP Cc1c(O)ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1O ZINC001140746236 1091983704 /nfs/dbraw/zinc/98/37/04/1091983704.db2.gz WRMKDIOQESNRFY-QGZVFWFLSA-N 2 1 318.461 3.247 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1O ZINC000404315970 1094254279 /nfs/dbraw/zinc/25/42/79/1094254279.db2.gz OEYNQWIIOGITND-SMDDNHRTSA-N 2 1 312.841 3.004 20 10 DGCDMP CCOc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001276814241 1095110077 /nfs/dbraw/zinc/11/00/77/1095110077.db2.gz FOZOZQONDAWVGO-IBGZPJMESA-N 2 1 318.461 3.099 20 10 DGCDMP CCOc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(O)c1 ZINC001276814241 1095110082 /nfs/dbraw/zinc/11/00/82/1095110082.db2.gz FOZOZQONDAWVGO-IBGZPJMESA-N 2 1 318.461 3.099 20 10 DGCDMP CCOc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c(O)c1 ZINC001276814241 1095110088 /nfs/dbraw/zinc/11/00/88/1095110088.db2.gz FOZOZQONDAWVGO-IBGZPJMESA-N 2 1 318.461 3.099 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1O ZINC001222147979 1095456966 /nfs/dbraw/zinc/45/69/66/1095456966.db2.gz GWYLROWKVUTWQE-IBGZPJMESA-N 2 1 302.462 3.265 20 10 DGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001222277395 1095526774 /nfs/dbraw/zinc/52/67/74/1095526774.db2.gz NJKOPPCVYHZMKI-IBGZPJMESA-N 2 1 302.462 3.481 20 10 DGCDMP Cc1cc(F)cc(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1O ZINC001277518947 1097750261 /nfs/dbraw/zinc/75/02/61/1097750261.db2.gz GFSCDTXCNWEOIS-GOSISDBHSA-N 2 1 306.425 3.148 20 10 DGCDMP Cc1cc(F)cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1O ZINC001277518947 1097750266 /nfs/dbraw/zinc/75/02/66/1097750266.db2.gz GFSCDTXCNWEOIS-GOSISDBHSA-N 2 1 306.425 3.148 20 10 DGCDMP Cc1cc(F)cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1O ZINC001277518947 1097750283 /nfs/dbraw/zinc/75/02/83/1097750283.db2.gz GFSCDTXCNWEOIS-GOSISDBHSA-N 2 1 306.425 3.148 20 10 DGCDMP C[NH+]1CCC(C2CC[NH+](Cc3c(O)ccc(F)c3F)CC2)CC1 ZINC001233334596 1098292482 /nfs/dbraw/zinc/29/24/82/1098292482.db2.gz MXKTXTUSTVNKCG-UHFFFAOYSA-N 2 1 324.415 3.224 20 10 DGCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(-c3ccccc3)c1O)C2 ZINC001234996344 1098739101 /nfs/dbraw/zinc/73/91/01/1098739101.db2.gz BEPKXXKZHDBBLI-WIYYLYMNSA-N 2 1 322.452 3.443 20 10 DGCDMP Oc1ccc(F)c(F)c1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235160720 1098846595 /nfs/dbraw/zinc/84/65/95/1098846595.db2.gz QKJJAXCAGINRGQ-OAHLLOKOSA-N 2 1 310.388 3.025 20 10 DGCDMP Oc1ccc(F)c(F)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235160720 1098846598 /nfs/dbraw/zinc/84/65/98/1098846598.db2.gz QKJJAXCAGINRGQ-OAHLLOKOSA-N 2 1 310.388 3.025 20 10 DGCDMP CN1CCCc2cc(C[N@H+]3CCCCC34CC[NH2+]CC4)ccc21 ZINC001235191316 1098868064 /nfs/dbraw/zinc/86/80/64/1098868064.db2.gz ROVFWLZRSGIKSH-UHFFFAOYSA-N 2 1 313.489 3.177 20 10 DGCDMP CC(C)(C)c1cc(O)c(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1Cl ZINC001235340814 1098965179 /nfs/dbraw/zinc/96/51/79/1098965179.db2.gz MNNHSWGFNXRZQY-LBPRGKRZSA-N 2 1 322.880 3.384 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001235342934 1098966558 /nfs/dbraw/zinc/96/65/58/1098966558.db2.gz YCAAKLDDPNCGHH-GOSISDBHSA-N 2 1 309.457 3.135 20 10 DGCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C(C)(C)C)cc3O)C2)C1 ZINC001235680609 1099124134 /nfs/dbraw/zinc/12/41/34/1099124134.db2.gz WGJNBZOURUOOQG-LJQANCHMSA-N 2 1 302.462 3.217 20 10 DGCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C(C)(C)C)cc3O)C2)C1 ZINC001235680609 1099124138 /nfs/dbraw/zinc/12/41/38/1099124138.db2.gz WGJNBZOURUOOQG-LJQANCHMSA-N 2 1 302.462 3.217 20 10 DGCDMP c1ccc([C@@H]2CC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001235949499 1099283256 /nfs/dbraw/zinc/28/32/56/1099283256.db2.gz MUYGZVHETMJYGI-FQEVSTJZSA-N 2 1 307.441 3.043 20 10 DGCDMP C[N@@H+](Cc1cc(Cl)c(Cl)cc1O)C[C@@H]1CCC[NH2+]C1 ZINC001235958213 1099289666 /nfs/dbraw/zinc/28/96/66/1099289666.db2.gz ZBQHSEYDTJXMSJ-SNVBAGLBSA-N 2 1 303.233 3.130 20 10 DGCDMP C[N@H+](Cc1cc(Cl)c(Cl)cc1O)C[C@@H]1CCC[NH2+]C1 ZINC001235958213 1099289672 /nfs/dbraw/zinc/28/96/72/1099289672.db2.gz ZBQHSEYDTJXMSJ-SNVBAGLBSA-N 2 1 303.233 3.130 20 10 DGCDMP c1ccc(C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C2CC2)cc1 ZINC001235994689 1099317688 /nfs/dbraw/zinc/31/76/88/1099317688.db2.gz VHFKUGMJRWQHSP-UHFFFAOYSA-N 2 1 321.468 3.261 20 10 DGCDMP CCC[N@@H+](Cc1ccc(N(CC)CC)cc1O)C1CC[NH2+]CC1 ZINC001236182445 1099453225 /nfs/dbraw/zinc/45/32/25/1099453225.db2.gz PBJNIYBQFDSFAM-UHFFFAOYSA-N 2 1 319.493 3.202 20 10 DGCDMP CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(O)c1 ZINC001236321802 1099535131 /nfs/dbraw/zinc/53/51/31/1099535131.db2.gz WPMHCYQFOJRCAJ-GASCZTMLSA-N 2 1 302.462 3.121 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236374084 1099560339 /nfs/dbraw/zinc/56/03/39/1099560339.db2.gz OXRHDKJJRWMESA-GOSISDBHSA-N 2 1 315.505 3.497 20 10 DGCDMP Nc1ccc(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236407661 1099580540 /nfs/dbraw/zinc/58/05/40/1099580540.db2.gz YGACHVBFYUGIGB-UHFFFAOYSA-N 2 1 313.420 3.162 20 10 DGCDMP Nc1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236407661 1099580546 /nfs/dbraw/zinc/58/05/46/1099580546.db2.gz YGACHVBFYUGIGB-UHFFFAOYSA-N 2 1 313.420 3.162 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236467662 1099628335 /nfs/dbraw/zinc/62/83/35/1099628335.db2.gz GGATYIWMKJQZAY-GOSISDBHSA-N 2 1 319.493 3.201 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236467662 1099628342 /nfs/dbraw/zinc/62/83/42/1099628342.db2.gz GGATYIWMKJQZAY-GOSISDBHSA-N 2 1 319.493 3.201 20 10 DGCDMP CC(C)C[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551473 1099677134 /nfs/dbraw/zinc/67/71/34/1099677134.db2.gz QPFFJZCUOMCRSJ-UAPYVXQJSA-N 2 1 303.494 3.481 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236598244 1099694942 /nfs/dbraw/zinc/69/49/42/1099694942.db2.gz JETZEWLCAAYVIU-GOSISDBHSA-N 2 1 313.489 3.251 20 10 DGCDMP CC(C)[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236941532 1099881625 /nfs/dbraw/zinc/88/16/25/1099881625.db2.gz CHQXFCNTWYQXLN-LJQANCHMSA-N 2 1 319.468 3.198 20 10 DGCDMP CCCC[N@@H+](CC)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236932418 1099882374 /nfs/dbraw/zinc/88/23/74/1099882374.db2.gz OPNPLRCOKWIXMU-UHFFFAOYSA-N 2 1 307.457 3.200 20 10 DGCDMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236938246 1099883320 /nfs/dbraw/zinc/88/33/20/1099883320.db2.gz IMRINUWJJJFHBK-JKSUJKDBSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@H]1C[NH3+] ZINC001205637989 1100762811 /nfs/dbraw/zinc/76/28/11/1100762811.db2.gz KFOVRCMEOUTZGG-RYUDHWBXSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@H]1C[NH3+] ZINC001205637989 1100762814 /nfs/dbraw/zinc/76/28/14/1100762814.db2.gz KFOVRCMEOUTZGG-RYUDHWBXSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@H]1CC[NH3+] ZINC001326465722 1103327692 /nfs/dbraw/zinc/32/76/92/1103327692.db2.gz WIIKHYJAHVXZDP-APWZRJJASA-N 2 1 301.478 3.236 20 10 DGCDMP Cc1cc(C)c(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(O)c1 ZINC001276366071 1103576073 /nfs/dbraw/zinc/57/60/73/1103576073.db2.gz YLUGUAWYJRGVNW-LJQANCHMSA-N 2 1 302.462 3.317 20 10 DGCDMP Cc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001276366071 1103576084 /nfs/dbraw/zinc/57/60/84/1103576084.db2.gz YLUGUAWYJRGVNW-LJQANCHMSA-N 2 1 302.462 3.317 20 10 DGCDMP Cc1cc(C)c(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001276366071 1103576096 /nfs/dbraw/zinc/57/60/96/1103576096.db2.gz YLUGUAWYJRGVNW-LJQANCHMSA-N 2 1 302.462 3.317 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001328401220 1103934581 /nfs/dbraw/zinc/93/45/81/1103934581.db2.gz VAOCBGYWMKKLGY-VQTJNVASSA-N 2 1 313.489 3.393 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001328401220 1103934584 /nfs/dbraw/zinc/93/45/84/1103934584.db2.gz VAOCBGYWMKKLGY-VQTJNVASSA-N 2 1 313.489 3.393 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1O ZINC001328413267 1103938734 /nfs/dbraw/zinc/93/87/34/1103938734.db2.gz XHUREYDJVLDESA-UHFFFAOYSA-N 2 1 324.852 3.020 20 10 DGCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246527812 1104579935 /nfs/dbraw/zinc/57/99/35/1104579935.db2.gz VOFKXTAWWKAUMD-KSSFIOAISA-N 2 1 302.462 3.364 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246901893 1104728681 /nfs/dbraw/zinc/72/86/81/1104728681.db2.gz PMJIIQJEUOCMFD-ZWKOTPCHSA-N 2 1 303.494 3.351 20 10 DGCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC001256202038 1106390195 /nfs/dbraw/zinc/39/01/95/1106390195.db2.gz SGONVPUONVMJMF-SFHVURJKSA-N 2 1 302.462 3.316 20 10 DGCDMP CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC[NH+](C(C)C)CC1 ZINC001257224361 1106554422 /nfs/dbraw/zinc/55/44/22/1106554422.db2.gz ZABCRVHXMGGALR-UHFFFAOYSA-N 2 1 303.494 3.447 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC[NH+](C(C)C)CC1 ZINC001257224361 1106554424 /nfs/dbraw/zinc/55/44/24/1106554424.db2.gz ZABCRVHXMGGALR-UHFFFAOYSA-N 2 1 303.494 3.447 20 10 DGCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCCC1 ZINC001321760406 1107428901 /nfs/dbraw/zinc/42/89/01/1107428901.db2.gz ZYMKOUROGLKQOG-UHFFFAOYSA-N 2 1 319.468 3.342 20 10 DGCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCCC1 ZINC001321760406 1107428905 /nfs/dbraw/zinc/42/89/05/1107428905.db2.gz ZYMKOUROGLKQOG-UHFFFAOYSA-N 2 1 319.468 3.342 20 10 DGCDMP C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001319705206 1108601468 /nfs/dbraw/zinc/60/14/68/1108601468.db2.gz GOJOLVMCFUEADB-INIZCTEOSA-N 2 1 319.468 3.200 20 10 DGCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001319705206 1108601475 /nfs/dbraw/zinc/60/14/75/1108601475.db2.gz GOJOLVMCFUEADB-INIZCTEOSA-N 2 1 319.468 3.200 20 10 DGCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC001319730167 1108614012 /nfs/dbraw/zinc/61/40/12/1108614012.db2.gz WOQUDHPMOHXMCT-AZUAARDMSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC001319730167 1108614019 /nfs/dbraw/zinc/61/40/19/1108614019.db2.gz WOQUDHPMOHXMCT-AZUAARDMSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC001319730167 1108614025 /nfs/dbraw/zinc/61/40/25/1108614025.db2.gz WOQUDHPMOHXMCT-AZUAARDMSA-N 2 1 313.489 3.203 20 10 DGCDMP CCC[N@@H+]1CCC[C@H]1CNC/C=C\c1ccc(N(C)C)cc1 ZINC001308399939 1111425265 /nfs/dbraw/zinc/42/52/65/1111425265.db2.gz SGGRQACXFONBSI-WPGJWXSHSA-N 2 1 301.478 3.230 20 10 DGCDMP CCC[N@H+]1CCC[C@H]1CNC/C=C\c1ccc(N(C)C)cc1 ZINC001308399939 1111425268 /nfs/dbraw/zinc/42/52/68/1111425268.db2.gz SGGRQACXFONBSI-WPGJWXSHSA-N 2 1 301.478 3.230 20 10 DGCDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000271177724 432346323 /nfs/dbraw/zinc/34/63/23/432346323.db2.gz KSSSFMUQZYDWEB-MRXNPFEDSA-N 2 1 310.441 3.443 20 10 DGCDMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(O)c1C ZINC000278778204 432900790 /nfs/dbraw/zinc/90/07/90/432900790.db2.gz YECNSVDHBIZTHE-RDJZCZTQSA-N 2 1 320.477 3.161 20 10 DGCDMP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(N(C)C)cc1 ZINC000278913163 432915934 /nfs/dbraw/zinc/91/59/34/432915934.db2.gz GZYALINIOSFROP-YJBOKZPZSA-N 2 1 312.461 3.252 20 10 DGCDMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000373228798 433137996 /nfs/dbraw/zinc/13/79/96/433137996.db2.gz NDMJGQZWMGCKMN-NSHDSACASA-N 2 1 323.799 3.298 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000369701463 434598051 /nfs/dbraw/zinc/59/80/51/434598051.db2.gz FACDDCJOBQXZGN-UHFFFAOYSA-N 2 1 302.462 3.317 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683333 522181974 /nfs/dbraw/zinc/18/19/74/522181974.db2.gz ZUBSSYLRSLPKBH-SFHVURJKSA-N 2 1 301.478 3.060 20 10 DGCDMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)CC[NH2+]1 ZINC000841003264 619136839 /nfs/dbraw/zinc/13/68/39/619136839.db2.gz PDVJFGZHKCAUQH-PKOBYXMFSA-N 2 1 315.505 3.497 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1F ZINC000841100817 620450699 /nfs/dbraw/zinc/45/06/99/620450699.db2.gz KXAPIIJVYUAAKJ-GOEBONIOSA-N 2 1 307.457 3.089 20 10 DGCDMP c1cc2c(cc1C[NH2+]C1CC[NH+](C3CCC3)CC1)CCCO2 ZINC000921611453 620913982 /nfs/dbraw/zinc/91/39/82/620913982.db2.gz GLKSAYIYKSHACQ-UHFFFAOYSA-N 2 1 300.446 3.118 20 10 DGCDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000858490665 621197613 /nfs/dbraw/zinc/19/76/13/621197613.db2.gz LKSKNMYGRZHIGH-VNHYZAJKSA-N 2 1 306.425 3.401 20 10 DGCDMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000863547232 621682900 /nfs/dbraw/zinc/68/29/00/621682900.db2.gz QDVIONHGYMPZDY-KFKAGJAMSA-N 2 1 310.441 3.406 20 10 DGCDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000764967363 622236615 /nfs/dbraw/zinc/23/66/15/622236615.db2.gz UFAAJAPZCXMRRW-OTWHNJEPSA-N 2 1 301.478 3.420 20 10 DGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000764967363 622236617 /nfs/dbraw/zinc/23/66/17/622236617.db2.gz UFAAJAPZCXMRRW-OTWHNJEPSA-N 2 1 301.478 3.420 20 10 DGCDMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000764967361 622236860 /nfs/dbraw/zinc/23/68/60/622236860.db2.gz UFAAJAPZCXMRRW-GBESFXJTSA-N 2 1 301.478 3.420 20 10 DGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000764967361 622236863 /nfs/dbraw/zinc/23/68/63/622236863.db2.gz UFAAJAPZCXMRRW-GBESFXJTSA-N 2 1 301.478 3.420 20 10 DGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000764966015 622236897 /nfs/dbraw/zinc/23/68/97/622236897.db2.gz WXRFIIRMTLKWMR-ZYSHUDEJSA-N 2 1 301.478 3.420 20 10 DGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000764966015 622236898 /nfs/dbraw/zinc/23/68/98/622236898.db2.gz WXRFIIRMTLKWMR-ZYSHUDEJSA-N 2 1 301.478 3.420 20 10 DGCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466746 622458660 /nfs/dbraw/zinc/45/86/60/622458660.db2.gz WAGCSHAJXUTMCU-INIZCTEOSA-N 2 1 316.489 3.435 20 10 DGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000769488802 622533538 /nfs/dbraw/zinc/53/35/38/622533538.db2.gz ZOUALUIBYYBDRT-WMLDXEAASA-N 2 1 307.457 3.054 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000769488802 622533539 /nfs/dbraw/zinc/53/35/39/622533539.db2.gz ZOUALUIBYYBDRT-WMLDXEAASA-N 2 1 307.457 3.054 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000769488802 622533542 /nfs/dbraw/zinc/53/35/42/622533542.db2.gz ZOUALUIBYYBDRT-WMLDXEAASA-N 2 1 307.457 3.054 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000773755998 623068851 /nfs/dbraw/zinc/06/88/51/623068851.db2.gz SLIJERVIJGXVPV-LJQANCHMSA-N 2 1 315.505 3.306 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000773755998 623068858 /nfs/dbraw/zinc/06/88/58/623068858.db2.gz SLIJERVIJGXVPV-LJQANCHMSA-N 2 1 315.505 3.306 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000773755998 623068864 /nfs/dbraw/zinc/06/88/64/623068864.db2.gz SLIJERVIJGXVPV-LJQANCHMSA-N 2 1 315.505 3.306 20 10 DGCDMP CC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1O ZINC000873236156 623087038 /nfs/dbraw/zinc/08/70/38/623087038.db2.gz VHDRCZTYEQCRPQ-GOSISDBHSA-N 2 1 314.404 3.418 20 10 DGCDMP CC(C)[C@H](C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775637299 623301206 /nfs/dbraw/zinc/30/12/06/623301206.db2.gz ONUJEFQJIOMOFM-KRWDZBQOSA-N 2 1 315.505 3.447 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000775669177 623310155 /nfs/dbraw/zinc/31/01/55/623310155.db2.gz TVXKLQOKJXQTTE-SJORKVTESA-N 2 1 301.478 3.059 20 10 DGCDMP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000876893929 623738343 /nfs/dbraw/zinc/73/83/43/623738343.db2.gz JXIUEGDOHQKPNC-UHFFFAOYSA-N 2 1 310.441 3.455 20 10 DGCDMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(O)c1 ZINC000877007438 623764997 /nfs/dbraw/zinc/76/49/97/623764997.db2.gz PYKDXDGWVBEWPU-IBGZPJMESA-N 2 1 324.468 3.355 20 10 DGCDMP CCC1([NH+]2CCCC2)CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000877675136 623988424 /nfs/dbraw/zinc/98/84/24/623988424.db2.gz WMRPUNGYJLWOTH-UHFFFAOYSA-N 2 1 318.461 3.241 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000809767353 626949259 /nfs/dbraw/zinc/94/92/59/626949259.db2.gz INHYXCFYTYQDRW-QUCCMNQESA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000809767353 626949260 /nfs/dbraw/zinc/94/92/60/626949260.db2.gz INHYXCFYTYQDRW-QUCCMNQESA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000809767353 626949262 /nfs/dbraw/zinc/94/92/62/626949262.db2.gz INHYXCFYTYQDRW-QUCCMNQESA-N 2 1 315.505 3.449 20 10 DGCDMP CSC1(C[NH2+][C@@H](C)c2ccc(F)cc2O)CC[NH+](C)CC1 ZINC000810252273 626993370 /nfs/dbraw/zinc/99/33/70/626993370.db2.gz MWPCSTKFGPUWIL-LBPRGKRZSA-N 2 1 312.454 3.009 20 10 DGCDMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1c(O)cccc1F ZINC000886496752 627153160 /nfs/dbraw/zinc/15/31/60/627153160.db2.gz GOMAQCUBOYNHHG-CYBMUJFWSA-N 2 1 302.393 3.444 20 10 DGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4ccccc4c3O)CC[C@H]21 ZINC000816521240 627801829 /nfs/dbraw/zinc/80/18/29/627801829.db2.gz KLUPJGIADMOLFN-VQIMIIECSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)CC[C@H]21 ZINC000816521240 627801833 /nfs/dbraw/zinc/80/18/33/627801833.db2.gz KLUPJGIADMOLFN-VQIMIIECSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CC[C@H]21 ZINC000816521240 627801835 /nfs/dbraw/zinc/80/18/35/627801835.db2.gz KLUPJGIADMOLFN-VQIMIIECSA-N 2 1 310.441 3.462 20 10 DGCDMP C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000817957254 627973933 /nfs/dbraw/zinc/97/39/33/627973933.db2.gz KEGYKEIEVKDNGW-XLIONFOSSA-N 2 1 323.484 3.312 20 10 DGCDMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817966285 627977421 /nfs/dbraw/zinc/97/74/21/627977421.db2.gz KJBIRPWRNJOWIG-IAQYHMDHSA-N 2 1 316.367 3.451 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000818431416 628022441 /nfs/dbraw/zinc/02/24/41/628022441.db2.gz LPTINVMIAXSUEB-QGZVFWFLSA-N 2 1 315.505 3.497 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000824933042 628708971 /nfs/dbraw/zinc/70/89/71/628708971.db2.gz ATLPQPPEKUDHKR-CZUORRHYSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000824933042 628708975 /nfs/dbraw/zinc/70/89/75/628708975.db2.gz ATLPQPPEKUDHKR-CZUORRHYSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000824933042 628708976 /nfs/dbraw/zinc/70/89/76/628708976.db2.gz ATLPQPPEKUDHKR-CZUORRHYSA-N 2 1 308.853 3.270 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CCF)C3)cc2)CC1 ZINC000827270787 628943781 /nfs/dbraw/zinc/94/37/81/628943781.db2.gz FZHYKAXNHNFGFI-KRWDZBQOSA-N 2 1 319.468 3.010 20 10 DGCDMP CC[N@H+]1CCC[C@@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835035244 629830609 /nfs/dbraw/zinc/83/06/09/629830609.db2.gz FADIEOGVTHEURB-FZMUQLTDSA-N 2 1 301.478 3.087 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000840940417 630381122 /nfs/dbraw/zinc/38/11/22/630381122.db2.gz YTAMFHUOSDRMJB-UHFFFAOYSA-N 2 1 301.478 3.121 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000841086249 630405984 /nfs/dbraw/zinc/40/59/84/630405984.db2.gz GPMAUTXMAXRQBB-ICSRJNTNSA-N 2 1 315.505 3.497 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000841086250 630406193 /nfs/dbraw/zinc/40/61/93/630406193.db2.gz GPMAUTXMAXRQBB-QUCCMNQESA-N 2 1 315.505 3.497 20 10 DGCDMP CN(C)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000842765482 630573514 /nfs/dbraw/zinc/57/35/14/630573514.db2.gz WRAAZWZCPGOMBY-CTNGQTDRSA-N 2 1 323.484 3.188 20 10 DGCDMP CCN(Cc1ccccc1)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000843048388 630608124 /nfs/dbraw/zinc/60/81/24/630608124.db2.gz QBOUFWWLPGKUBG-HXUWFJFHSA-N 2 1 323.484 3.494 20 10 DGCDMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046674 630608280 /nfs/dbraw/zinc/60/82/80/630608280.db2.gz YWAADUWUUYTZKT-APWZRJJASA-N 2 1 301.478 3.379 20 10 DGCDMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046674 630608284 /nfs/dbraw/zinc/60/82/84/630608284.db2.gz YWAADUWUUYTZKT-APWZRJJASA-N 2 1 301.478 3.379 20 10 DGCDMP Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126047 630616716 /nfs/dbraw/zinc/61/67/16/630616716.db2.gz FFULDVJIRJXCNT-ZIAGYGMSSA-N 2 1 308.853 3.257 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843127839 630617173 /nfs/dbraw/zinc/61/71/73/630617173.db2.gz TYLYTRKRFKRVOK-LBPRGKRZSA-N 2 1 312.816 3.006 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000843128282 630617303 /nfs/dbraw/zinc/61/73/03/630617303.db2.gz VQNBZNBQIBCDCR-DLBZAZTESA-N 2 1 302.462 3.221 20 10 DGCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000849349774 631900389 /nfs/dbraw/zinc/90/03/89/631900389.db2.gz HAGVVTOPMDNZKX-MRXNPFEDSA-N 2 1 318.461 3.003 20 10 DGCDMP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000164392287 658930414 /nfs/dbraw/zinc/93/04/14/658930414.db2.gz LOSPKDPJDFBOEZ-AWEZNQCLSA-N 2 1 320.477 3.082 20 10 DGCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC000164623916 658939605 /nfs/dbraw/zinc/93/96/05/658939605.db2.gz QQFCNDVOSPAYRZ-LPHOPBHVSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC000164623916 658939609 /nfs/dbraw/zinc/93/96/09/658939609.db2.gz QQFCNDVOSPAYRZ-LPHOPBHVSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC000164623916 658939610 /nfs/dbraw/zinc/93/96/10/658939610.db2.gz QQFCNDVOSPAYRZ-LPHOPBHVSA-N 2 1 310.441 3.462 20 10 DGCDMP CN(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192920206 662115854 /nfs/dbraw/zinc/11/58/54/662115854.db2.gz IXLSBLCQJOEHIM-HXUWFJFHSA-N 2 1 323.484 3.364 20 10 DGCDMP Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000383936772 685169406 /nfs/dbraw/zinc/16/94/06/685169406.db2.gz CYFVMAOFPWUYRU-MJGOQNOKSA-N 2 1 322.452 3.491 20 10 DGCDMP [NH3+][C@H](C[N@H+](Cc1ccccc1O)C1CCCC1)CC(F)(F)F ZINC001580128239 1192008854 /nfs/dbraw/zinc/00/88/54/1192008854.db2.gz UJOGJVVFVUBSJM-ZDUSSCGKSA-N 2 1 316.367 3.417 20 10 DGCDMP [NH3+][C@H](C[N@@H+](Cc1ccccc1O)C1CCCC1)CC(F)(F)F ZINC001580128239 1192008856 /nfs/dbraw/zinc/00/88/56/1192008856.db2.gz UJOGJVVFVUBSJM-ZDUSSCGKSA-N 2 1 316.367 3.417 20 10 DGCDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001335947481 1178974760 /nfs/dbraw/zinc/97/47/60/1178974760.db2.gz JQHLGJLFIUHASR-FQEVSTJZSA-N 2 1 315.505 3.484 20 10 DGCDMP CCC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001341567846 1179030895 /nfs/dbraw/zinc/03/08/95/1179030895.db2.gz OQXFBCJHURPDIG-UHFFFAOYSA-N 2 1 319.468 3.200 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC001343320207 1179255137 /nfs/dbraw/zinc/25/51/37/1179255137.db2.gz QVMVESIVNWHFDL-UHFFFAOYSA-N 2 1 313.489 3.393 20 10 DGCDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]2C1 ZINC001352114252 1180299203 /nfs/dbraw/zinc/29/92/03/1180299203.db2.gz ZKNRPPKWHDEAAS-HEHGZKQESA-N 2 1 308.853 3.208 20 10 DGCDMP C[C@H](CC1CCC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001461665236 1182840097 /nfs/dbraw/zinc/84/00/97/1182840097.db2.gz CAPZWXZTUIOGSF-OAHLLOKOSA-N 2 1 319.468 3.246 20 10 DGCDMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c1 ZINC001461935532 1182881248 /nfs/dbraw/zinc/88/12/48/1182881248.db2.gz OBDSJRSXAVZZQW-MRXNPFEDSA-N 2 1 318.461 3.160 20 10 DGCDMP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001474070003 1183861692 /nfs/dbraw/zinc/86/16/92/1183861692.db2.gz DZTYSYZKRMHOEH-AEFFLSMTSA-N 2 1 319.468 3.246 20 10 DGCDMP COc1cc(C)c(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(O)c1 ZINC001474350740 1183908594 /nfs/dbraw/zinc/90/85/94/1183908594.db2.gz OYULHLIQGSYOAK-OAHLLOKOSA-N 2 1 306.450 3.015 20 10 DGCDMP COc1cc(C)c(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(O)c1 ZINC001474350740 1183908600 /nfs/dbraw/zinc/90/86/00/1183908600.db2.gz OYULHLIQGSYOAK-OAHLLOKOSA-N 2 1 306.450 3.015 20 10 DGCDMP COc1cc(C)c(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(O)c1 ZINC001474350740 1183908602 /nfs/dbraw/zinc/90/86/02/1183908602.db2.gz OYULHLIQGSYOAK-OAHLLOKOSA-N 2 1 306.450 3.015 20 10 DGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)cc(OC)cc2O)CC1 ZINC001621168852 1193812551 /nfs/dbraw/zinc/81/25/51/1193812551.db2.gz MMYFJCIMUHONBI-UHFFFAOYSA-N 2 1 306.450 3.015 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC3(C)C)cc2F)CC1 ZINC001650640789 1195368256 /nfs/dbraw/zinc/36/82/56/1195368256.db2.gz PEDXMSNGGNDMJB-GOSISDBHSA-N 2 1 319.468 3.246 20 10 DGCDMP CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC001658028668 1196204212 /nfs/dbraw/zinc/20/42/12/1196204212.db2.gz YTDSFGCHOOQTFO-WMZOPIPTSA-N 2 1 302.462 3.432 20 10 DGCDMP CC(C)c1ccc(O)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC001658028668 1196204215 /nfs/dbraw/zinc/20/42/15/1196204215.db2.gz YTDSFGCHOOQTFO-WMZOPIPTSA-N 2 1 302.462 3.432 20 10 DGCDMP CC(C)c1ccc(O)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC001658028668 1196204219 /nfs/dbraw/zinc/20/42/19/1196204219.db2.gz YTDSFGCHOOQTFO-WMZOPIPTSA-N 2 1 302.462 3.432 20 10 DGCDMP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001661507929 1196613514 /nfs/dbraw/zinc/61/35/14/1196613514.db2.gz UXIALTBEZYMTQL-HUUCEWRRSA-N 2 1 307.457 3.102 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000315573665 1199807307 /nfs/dbraw/zinc/80/73/07/1199807307.db2.gz PVBWQJMHXDPRAG-UGUYLWEFSA-N 2 1 300.446 3.465 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000315573665 1199807308 /nfs/dbraw/zinc/80/73/08/1199807308.db2.gz PVBWQJMHXDPRAG-UGUYLWEFSA-N 2 1 300.446 3.465 20 10 DGCDMP CN(c1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)C(C)(C)C[NH3+] ZINC001170059875 1081972344 /nfs/dbraw/zinc/97/23/44/1081972344.db2.gz WRPYVYSHADBXBA-UHFFFAOYSA-N 2 1 309.457 3.376 20 10 DGCDMP Cc1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c2ccccc2n1C ZINC001204735176 1084941687 /nfs/dbraw/zinc/94/16/87/1084941687.db2.gz MUDVLRFDCNFUJM-UHFFFAOYSA-N 2 1 311.473 3.452 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168388098 1087547960 /nfs/dbraw/zinc/54/79/60/1087547960.db2.gz BFGHBSNEKMSFRE-UHFFFAOYSA-N 2 1 301.478 3.059 20 10 DGCDMP CCOc1cccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1O ZINC001203609291 1090766613 /nfs/dbraw/zinc/76/66/13/1090766613.db2.gz OUUAQFMUMBFJSL-UHFFFAOYSA-N 2 1 320.477 3.343 20 10 DGCDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N2CCCC2)cc1 ZINC001204327004 1090949783 /nfs/dbraw/zinc/94/97/83/1090949783.db2.gz LFTQHVOUJRJPGE-UHFFFAOYSA-N 2 1 301.478 3.205 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@H]1C[NH3+] ZINC001205296193 1091168974 /nfs/dbraw/zinc/16/89/74/1091168974.db2.gz IRBFHQLHAHWXCU-NVXWUHKLSA-N 2 1 311.473 3.323 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CC[C@@H]1C[NH3+] ZINC001205638466 1091292885 /nfs/dbraw/zinc/29/28/85/1091292885.db2.gz OGRFWSGNYOTUFI-HUUCEWRRSA-N 2 1 304.478 3.497 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CC[C@H]1C[NH3+] ZINC001205638464 1091292992 /nfs/dbraw/zinc/29/29/92/1091292992.db2.gz OGRFWSGNYOTUFI-CABCVRRESA-N 2 1 304.478 3.497 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@@H]1C[NH3+] ZINC001205638615 1091293262 /nfs/dbraw/zinc/29/32/62/1091293262.db2.gz PYMHIKXTIDKSDM-VXGBXAGGSA-N 2 1 316.367 3.218 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c1 ZINC001205786771 1091348515 /nfs/dbraw/zinc/34/85/15/1091348515.db2.gz BGCCMPUNSYBVFW-AWEZNQCLSA-N 2 1 312.404 3.106 20 10 DGCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806312 1091357473 /nfs/dbraw/zinc/35/74/73/1091357473.db2.gz TWRVAYNAJJENEU-WBVHZDCISA-N 2 1 311.473 3.465 20 10 DGCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806312 1091357482 /nfs/dbraw/zinc/35/74/82/1091357482.db2.gz TWRVAYNAJJENEU-WBVHZDCISA-N 2 1 311.473 3.465 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCC[C@H]1C[NH3+] ZINC001205993487 1091440056 /nfs/dbraw/zinc/44/00/56/1091440056.db2.gz HUGBBOXACYZIFG-AEFFLSMTSA-N 2 1 301.478 3.094 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139255245 1091501199 /nfs/dbraw/zinc/50/11/99/1091501199.db2.gz OMRLRZZXBLQKBE-GJZGRUSLSA-N 2 1 320.477 3.330 20 10 DGCDMP COc1cc(C[N@@H+](CC2CC2)C(C)C)cc(C[NH+](C)C)c1O ZINC001139256993 1091501665 /nfs/dbraw/zinc/50/16/65/1091501665.db2.gz OFGWQESYUCRRHN-UHFFFAOYSA-N 2 1 306.450 3.083 20 10 DGCDMP C[C@H]1C[NH2+]CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001206285299 1091561791 /nfs/dbraw/zinc/56/17/91/1091561791.db2.gz LAKYBRWJSAMVOM-AWEZNQCLSA-N 2 1 314.404 3.240 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206371001 1091603907 /nfs/dbraw/zinc/60/39/07/1091603907.db2.gz QXRURGDYRBJSMB-SFHVURJKSA-N 2 1 308.441 3.343 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206371001 1091603911 /nfs/dbraw/zinc/60/39/11/1091603911.db2.gz QXRURGDYRBJSMB-SFHVURJKSA-N 2 1 308.441 3.343 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC3(C)C)cc2)CC1 ZINC001140300007 1091818589 /nfs/dbraw/zinc/81/85/89/1091818589.db2.gz INPFXMQWBYUSDJ-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)C3CCCC3)cc2)CC1 ZINC001140304282 1091819574 /nfs/dbraw/zinc/81/95/74/1091819574.db2.gz LSIYJRXOICIMBJ-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CF)C3)cc2)CC1 ZINC001140304542 1091819792 /nfs/dbraw/zinc/81/97/92/1091819792.db2.gz UFGNSMJPDNTQGG-GOSISDBHSA-N 2 1 319.468 3.010 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CF)C3)cc2)CC1 ZINC001140304543 1091820135 /nfs/dbraw/zinc/82/01/35/1091820135.db2.gz UFGNSMJPDNTQGG-SFHVURJKSA-N 2 1 319.468 3.010 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C)[C@@H]3C)cc2)CC1 ZINC001140304028 1091820288 /nfs/dbraw/zinc/82/02/88/1091820288.db2.gz FBAMUINLKJBCNZ-ROUUACIJSA-N 2 1 315.505 3.449 20 10 DGCDMP Cc1c[nH+]ccc1N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140342654 1091835071 /nfs/dbraw/zinc/83/50/71/1091835071.db2.gz SNGGOSCOZWVPHR-UHFFFAOYSA-N 2 1 317.820 3.071 20 10 DGCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001276505858 1091836018 /nfs/dbraw/zinc/83/60/18/1091836018.db2.gz ZVXNNQUVJFMRKH-AGUYFDCRSA-N 2 1 314.351 3.126 20 10 DGCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4c(C)ccc4C)cc3)C[C@@H]2C1 ZINC001209520500 1092808271 /nfs/dbraw/zinc/80/82/71/1092808271.db2.gz ZQOCJWIQNPDDKG-BGYRXZFFSA-N 2 1 323.484 3.478 20 10 DGCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-n4c(C)ccc4C)cc3)C[C@@H]2C1 ZINC001209520500 1092808279 /nfs/dbraw/zinc/80/82/79/1092808279.db2.gz ZQOCJWIQNPDDKG-BGYRXZFFSA-N 2 1 323.484 3.478 20 10 DGCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-n4c(C)ccc4C)cc3)C[C@@H]2C1 ZINC001209520500 1092808283 /nfs/dbraw/zinc/80/82/83/1092808283.db2.gz ZQOCJWIQNPDDKG-BGYRXZFFSA-N 2 1 323.484 3.478 20 10 DGCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000315473538 1095107558 /nfs/dbraw/zinc/10/75/58/1095107558.db2.gz KCSDXZZGEVZTCQ-BBRMVZONSA-N 2 1 300.446 3.465 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001222149033 1095459116 /nfs/dbraw/zinc/45/91/16/1095459116.db2.gz VIXQQFINDKSHRW-IBGZPJMESA-N 2 1 302.462 3.265 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237472 1095505849 /nfs/dbraw/zinc/50/58/49/1095505849.db2.gz KUBGJSSYSCUXQC-IBGZPJMESA-N 2 1 301.478 3.251 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222237472 1095505861 /nfs/dbraw/zinc/50/58/61/1095505861.db2.gz KUBGJSSYSCUXQC-IBGZPJMESA-N 2 1 301.478 3.251 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)ccc1N(C)C ZINC001222265803 1095521574 /nfs/dbraw/zinc/52/15/74/1095521574.db2.gz ZLRALSOIXQBPPQ-IBGZPJMESA-N 2 1 301.478 3.027 20 10 DGCDMP Cc1cc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)ccc1N(C)C ZINC001222293538 1095532861 /nfs/dbraw/zinc/53/28/61/1095532861.db2.gz WPHVIBPNUGZZIS-UHFFFAOYSA-N 2 1 301.478 3.169 20 10 DGCDMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)c(C)n1-c1ccccc1 ZINC001222620296 1095695377 /nfs/dbraw/zinc/69/53/77/1095695377.db2.gz LMJCLTHQAXSVKJ-FXAWDEMLSA-N 2 1 309.457 3.278 20 10 DGCDMP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(O)c1 ZINC001222629459 1095699725 /nfs/dbraw/zinc/69/97/25/1095699725.db2.gz IBXQDNRBQGPSFM-GASCZTMLSA-N 2 1 302.462 3.121 20 10 DGCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)C1 ZINC001233286919 1098276674 /nfs/dbraw/zinc/27/66/74/1098276674.db2.gz OPCLHGTXPWULAV-IBGZPJMESA-N 2 1 302.462 3.217 20 10 DGCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(C(C)(C)C)ccc3O)C2)C1 ZINC001233286919 1098276679 /nfs/dbraw/zinc/27/66/79/1098276679.db2.gz OPCLHGTXPWULAV-IBGZPJMESA-N 2 1 302.462 3.217 20 10 DGCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C2)C1 ZINC001233286919 1098276686 /nfs/dbraw/zinc/27/66/86/1098276686.db2.gz OPCLHGTXPWULAV-IBGZPJMESA-N 2 1 302.462 3.217 20 10 DGCDMP Oc1cc(F)c(F)cc1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156580 1098841160 /nfs/dbraw/zinc/84/11/60/1098841160.db2.gz HHECKDBDDJXIKL-MRXNPFEDSA-N 2 1 310.388 3.025 20 10 DGCDMP Oc1cc(F)c(F)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156580 1098841172 /nfs/dbraw/zinc/84/11/72/1098841172.db2.gz HHECKDBDDJXIKL-MRXNPFEDSA-N 2 1 310.388 3.025 20 10 DGCDMP Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1O ZINC001235155293 1098842191 /nfs/dbraw/zinc/84/21/91/1098842191.db2.gz OAWCTKILCUEAFB-SFHVURJKSA-N 2 1 302.462 3.363 20 10 DGCDMP COc1cc(C)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(O)c1 ZINC001235157021 1098842882 /nfs/dbraw/zinc/84/28/82/1098842882.db2.gz PXGHGSDBIMKSGT-GOSISDBHSA-N 2 1 318.461 3.063 20 10 DGCDMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(-c3ccccc3)c1O)C2 ZINC001235246491 1098919749 /nfs/dbraw/zinc/91/97/49/1098919749.db2.gz XSROMPGGRJPZHV-YLJYHZDGSA-N 2 1 308.425 3.372 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235403695 1099001986 /nfs/dbraw/zinc/00/19/86/1099001986.db2.gz LVFIAPALVAMNIJ-RBUKOAKNSA-N 2 1 319.468 3.056 20 10 DGCDMP C[N@H+](Cc1ccc(C(C)(C)C)cc1O)CC1CC[NH+](C)CC1 ZINC001235685380 1099127106 /nfs/dbraw/zinc/12/71/06/1099127106.db2.gz PIPGKQTUVLKEGW-UHFFFAOYSA-N 2 1 304.478 3.463 20 10 DGCDMP CC(C)(C)c1cc(O)c(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235936105 1099271446 /nfs/dbraw/zinc/27/14/46/1099271446.db2.gz HTEBVWQSNUPRCT-OCCSQVGLSA-N 2 1 322.880 3.384 20 10 DGCDMP C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220442 1099477921 /nfs/dbraw/zinc/47/79/21/1099477921.db2.gz ZFCHZGNVENKZGW-CVEARBPZSA-N 2 1 316.445 3.278 20 10 DGCDMP C[N@@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)[C@H]1CCCC[C@H]1[NH3+] ZINC001236220442 1099477936 /nfs/dbraw/zinc/47/79/36/1099477936.db2.gz ZFCHZGNVENKZGW-CVEARBPZSA-N 2 1 316.445 3.278 20 10 DGCDMP Cc1cc(F)cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1O ZINC001236459818 1099623120 /nfs/dbraw/zinc/62/31/20/1099623120.db2.gz ZQYNCTJRYIRVCM-UHFFFAOYSA-N 2 1 308.441 3.440 20 10 DGCDMP CCOc1ccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236474903 1099633678 /nfs/dbraw/zinc/63/36/78/1099633678.db2.gz OSDVEFGCSFXAPS-MRXNPFEDSA-N 2 1 306.450 3.001 20 10 DGCDMP CCOc1ccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236474903 1099633685 /nfs/dbraw/zinc/63/36/85/1099633685.db2.gz OSDVEFGCSFXAPS-MRXNPFEDSA-N 2 1 306.450 3.001 20 10 DGCDMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc(F)ccc2O)CC2CCC2)CC1 ZINC001236542465 1099672753 /nfs/dbraw/zinc/67/27/53/1099672753.db2.gz RBKWPKPYTRYPNW-QAQDUYKDSA-N 2 1 306.425 3.403 20 10 DGCDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2c(O)cccc2F)CC2CCC2)CC1 ZINC001236542402 1099672811 /nfs/dbraw/zinc/67/28/11/1099672811.db2.gz PUEZNEWJUSFEOO-SHTZXODSSA-N 2 1 306.425 3.403 20 10 DGCDMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2c(O)cccc2F)CC2CCC2)CC1 ZINC001236542402 1099672815 /nfs/dbraw/zinc/67/28/15/1099672815.db2.gz PUEZNEWJUSFEOO-SHTZXODSSA-N 2 1 306.425 3.403 20 10 DGCDMP CN1CCCc2cc(C[N@@H+](C3CCC3)C3CC[NH2+]CC3)ccc21 ZINC001236633740 1099714785 /nfs/dbraw/zinc/71/47/85/1099714785.db2.gz KZVIQIMLPZHWDP-UHFFFAOYSA-N 2 1 313.489 3.176 20 10 DGCDMP Cc1cc(F)cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236664370 1099732649 /nfs/dbraw/zinc/73/26/49/1099732649.db2.gz SDVQKDZATGMCFL-KRWDZBQOSA-N 2 1 306.425 3.336 20 10 DGCDMP Cc1cc(F)cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236664370 1099732658 /nfs/dbraw/zinc/73/26/58/1099732658.db2.gz SDVQKDZATGMCFL-KRWDZBQOSA-N 2 1 306.425 3.336 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c2ccccc21 ZINC001236817501 1099805138 /nfs/dbraw/zinc/80/51/38/1099805138.db2.gz CCFCBWGYYRBTCI-IPELMVKDSA-N 2 1 309.457 3.075 20 10 DGCDMP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)CC(C)C ZINC001236948957 1099888817 /nfs/dbraw/zinc/88/88/17/1099888817.db2.gz YKOLOEZAUVYNQU-UHFFFAOYSA-N 2 1 321.484 3.446 20 10 DGCDMP C[NH+](C)CC1CC[NH+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237082993 1099962489 /nfs/dbraw/zinc/96/24/89/1099962489.db2.gz VIWTUXKJWLBOFZ-UHFFFAOYSA-N 2 1 317.260 3.473 20 10 DGCDMP C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001237189071 1100022972 /nfs/dbraw/zinc/02/29/72/1100022972.db2.gz UJOPNBJUXXYJON-SAABIXHNSA-N 2 1 301.478 3.107 20 10 DGCDMP Oc1cccc(F)c1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001276361000 1103535364 /nfs/dbraw/zinc/53/53/64/1103535364.db2.gz ZHXVXDVQRVYYPD-UHFFFAOYSA-N 2 1 318.436 3.372 20 10 DGCDMP CCOc1cccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1O ZINC001275271759 1104698327 /nfs/dbraw/zinc/69/83/27/1104698327.db2.gz XSNFIOUOKGVSPE-IBGZPJMESA-N 2 1 318.461 3.099 20 10 DGCDMP CCOc1cccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1O ZINC001275271759 1104698331 /nfs/dbraw/zinc/69/83/31/1104698331.db2.gz XSNFIOUOKGVSPE-IBGZPJMESA-N 2 1 318.461 3.099 20 10 DGCDMP CCOc1cccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1O ZINC001275271759 1104698337 /nfs/dbraw/zinc/69/83/37/1104698337.db2.gz XSNFIOUOKGVSPE-IBGZPJMESA-N 2 1 318.461 3.099 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)C2CCC3(CCC[NH2+]C3)CC2)cc1 ZINC001246901318 1104729001 /nfs/dbraw/zinc/72/90/01/1104729001.db2.gz LVVZCKFOPRFFOW-UHFFFAOYSA-N 2 1 315.505 3.497 20 10 DGCDMP CC[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@H](CC)[NH2+]1 ZINC001246901099 1104729236 /nfs/dbraw/zinc/72/92/36/1104729236.db2.gz KMARENHPUWCUSS-IZZQQSIFSA-N 2 1 303.494 3.494 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246924021 1104738685 /nfs/dbraw/zinc/73/86/85/1104738685.db2.gz LKOQGSCZAIANCX-PMACEKPBSA-N 2 1 315.505 3.497 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256076590 1106365505 /nfs/dbraw/zinc/36/55/05/1106365505.db2.gz HKTDQUHMUYYYHU-UHFFFAOYSA-N 2 1 313.489 3.345 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC001256076590 1106365508 /nfs/dbraw/zinc/36/55/08/1106365508.db2.gz HKTDQUHMUYYYHU-UHFFFAOYSA-N 2 1 313.489 3.345 20 10 DGCDMP C[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001258182066 1106688934 /nfs/dbraw/zinc/68/89/34/1106688934.db2.gz USYNRMDHPIGHNT-HNNXBMFYSA-N 2 1 314.429 3.170 20 10 DGCDMP CC(C)CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320489288 1107022878 /nfs/dbraw/zinc/02/28/78/1107022878.db2.gz BLZQXLXMTQPMSE-UHFFFAOYSA-N 2 1 307.457 3.055 20 10 DGCDMP CC(C)CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320489288 1107022895 /nfs/dbraw/zinc/02/28/95/1107022895.db2.gz BLZQXLXMTQPMSE-UHFFFAOYSA-N 2 1 307.457 3.055 20 10 DGCDMP CC(C)[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001323332313 1107938607 /nfs/dbraw/zinc/93/86/07/1107938607.db2.gz YEJGNLAYCHLJSB-QGZVFWFLSA-N 2 1 319.468 3.055 20 10 DGCDMP CC(C)[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001323332313 1107938612 /nfs/dbraw/zinc/93/86/12/1107938612.db2.gz YEJGNLAYCHLJSB-QGZVFWFLSA-N 2 1 319.468 3.055 20 10 DGCDMP CC(C)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001323332313 1107938619 /nfs/dbraw/zinc/93/86/19/1107938619.db2.gz YEJGNLAYCHLJSB-QGZVFWFLSA-N 2 1 319.468 3.055 20 10 DGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N4CCCC4)cc3)CC[C@@H]21 ZINC001319730169 1108614100 /nfs/dbraw/zinc/61/41/00/1108614100.db2.gz WOQUDHPMOHXMCT-QUCCMNQESA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CC[C@@H]21 ZINC001319730169 1108614106 /nfs/dbraw/zinc/61/41/06/1108614106.db2.gz WOQUDHPMOHXMCT-QUCCMNQESA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CC[C@@H]21 ZINC001319730169 1108614112 /nfs/dbraw/zinc/61/41/12/1108614112.db2.gz WOQUDHPMOHXMCT-QUCCMNQESA-N 2 1 313.489 3.203 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1F ZINC001308553127 1111443268 /nfs/dbraw/zinc/44/32/68/1111443268.db2.gz HETCWGRLVYBSND-XYJFISCASA-N 2 1 319.468 3.102 20 10 DGCDMP CC[NH+]1CCC([NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000273387056 130116000 /nfs/dbraw/zinc/11/60/00/130116000.db2.gz JTQCQEQAWYXPEX-CQSZACIVSA-N 2 1 302.462 3.406 20 10 DGCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683800 431916708 /nfs/dbraw/zinc/91/67/08/431916708.db2.gz ITGHMGFQCNJGEB-MRXNPFEDSA-N 2 1 318.461 3.099 20 10 DGCDMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(O)c1C ZINC000278778206 432900649 /nfs/dbraw/zinc/90/06/49/432900649.db2.gz YECNSVDHBIZTHE-WBVHZDCISA-N 2 1 320.477 3.161 20 10 DGCDMP CCCOc1ccc(C[N@@H+](C)CCCn2ccnc2C)c(O)c1 ZINC000290507764 433069582 /nfs/dbraw/zinc/06/95/82/433069582.db2.gz PKFNRPHMQNAFMQ-UHFFFAOYSA-N 2 1 317.433 3.208 20 10 DGCDMP CCCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)c(O)c1 ZINC000290507764 433069594 /nfs/dbraw/zinc/06/95/94/433069594.db2.gz PKFNRPHMQNAFMQ-UHFFFAOYSA-N 2 1 317.433 3.208 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(O)c1 ZINC000293661037 433821712 /nfs/dbraw/zinc/82/17/12/433821712.db2.gz NXPACNWRBZZWOI-LJQANCHMSA-N 2 1 318.461 3.099 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(O)c1 ZINC000293661037 433821726 /nfs/dbraw/zinc/82/17/26/433821726.db2.gz NXPACNWRBZZWOI-LJQANCHMSA-N 2 1 318.461 3.099 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(O)c1 ZINC000293661037 433821735 /nfs/dbraw/zinc/82/17/35/433821735.db2.gz NXPACNWRBZZWOI-LJQANCHMSA-N 2 1 318.461 3.099 20 10 DGCDMP Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000131343921 526357240 /nfs/dbraw/zinc/35/72/40/526357240.db2.gz VQNWOJGJEKOSIJ-INIZCTEOSA-N 2 1 310.441 3.463 20 10 DGCDMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000733324568 574615914 /nfs/dbraw/zinc/61/59/14/574615914.db2.gz KVRFSIPJAOFXPR-HZPDHXFCSA-N 2 1 321.484 3.349 20 10 DGCDMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(O)c1 ZINC000853093588 620667976 /nfs/dbraw/zinc/66/79/76/620667976.db2.gz OQDZWKARBGWDDH-INIZCTEOSA-N 2 1 318.461 3.003 20 10 DGCDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1C ZINC000853093986 620668040 /nfs/dbraw/zinc/66/80/40/620668040.db2.gz VTIVCRUMGUTVQJ-SFHVURJKSA-N 2 1 302.462 3.215 20 10 DGCDMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1O ZINC000853241018 620681379 /nfs/dbraw/zinc/68/13/79/620681379.db2.gz RRVLWYWWCOLOOO-UKRRQHHQSA-N 2 1 306.425 3.304 20 10 DGCDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1O ZINC000853241018 620681381 /nfs/dbraw/zinc/68/13/81/620681381.db2.gz RRVLWYWWCOLOOO-UKRRQHHQSA-N 2 1 306.425 3.304 20 10 DGCDMP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(N2CCCCCC2)cc1 ZINC000854227788 620786306 /nfs/dbraw/zinc/78/63/06/620786306.db2.gz QMQXLSOOKLVMOF-ZRZPHAQCSA-N 2 1 313.489 3.470 20 10 DGCDMP C[NH+](C)CCCC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894058799 618702021 /nfs/dbraw/zinc/70/20/21/618702021.db2.gz YJGCUHCTZGNNKO-UHFFFAOYSA-N 2 1 312.404 3.224 20 10 DGCDMP COc1cccc(O)c1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000895685694 618818776 /nfs/dbraw/zinc/81/87/76/618818776.db2.gz NCOMFEFBQOZHQS-UHFFFAOYSA-N 2 1 306.450 3.099 20 10 DGCDMP CCOc1ccc(O)c(C[NH+]2CCC(CC)([NH+]3CCC3)CC2)c1 ZINC000895827657 618834558 /nfs/dbraw/zinc/83/45/58/618834558.db2.gz OFCCRVZMNBFAHH-UHFFFAOYSA-N 2 1 318.461 3.241 20 10 DGCDMP Nc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000841034543 619169547 /nfs/dbraw/zinc/16/95/47/619169547.db2.gz HJNSSRFLFNLZMS-UHFFFAOYSA-N 2 1 323.484 3.108 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858179550 621162100 /nfs/dbraw/zinc/16/21/00/621162100.db2.gz NWTPWPKHXGRDBL-AEFFLSMTSA-N 2 1 317.521 3.454 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000839182846 621344088 /nfs/dbraw/zinc/34/40/88/621344088.db2.gz QPFDCHTUEQSOOH-JXTAAOLFSA-N 2 1 301.478 3.087 20 10 DGCDMP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000839182140 621344124 /nfs/dbraw/zinc/34/41/24/621344124.db2.gz LBLYVAFRGFNKJG-NSHDSACASA-N 2 1 300.805 3.006 20 10 DGCDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000839182140 621344125 /nfs/dbraw/zinc/34/41/25/621344125.db2.gz LBLYVAFRGFNKJG-NSHDSACASA-N 2 1 300.805 3.006 20 10 DGCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CC=CCC1 ZINC000753574738 621449940 /nfs/dbraw/zinc/44/99/40/621449940.db2.gz DQFBGSPQGZBJSK-GOSISDBHSA-N 2 1 313.489 3.227 20 10 DGCDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2c1c(F)ccc2O ZINC000756416033 621636940 /nfs/dbraw/zinc/63/69/40/621636940.db2.gz GIIFYOKAJFILNV-CXTNEJHOSA-N 2 1 304.409 3.296 20 10 DGCDMP CCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c1 ZINC000769467701 622530196 /nfs/dbraw/zinc/53/01/96/622530196.db2.gz ZRUYYRGGLIYSOG-KRWDZBQOSA-N 2 1 318.461 3.241 20 10 DGCDMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c(O)c1 ZINC000769470746 622530992 /nfs/dbraw/zinc/53/09/92/622530992.db2.gz OTNBYTGUMINLNU-GDBMZVCRSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c(O)c1 ZINC000769470746 622530994 /nfs/dbraw/zinc/53/09/94/622530994.db2.gz OTNBYTGUMINLNU-GDBMZVCRSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c(O)c1 ZINC000769470746 622530997 /nfs/dbraw/zinc/53/09/97/622530997.db2.gz OTNBYTGUMINLNU-GDBMZVCRSA-N 2 1 306.450 3.096 20 10 DGCDMP C[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775702087 623316065 /nfs/dbraw/zinc/31/60/65/623316065.db2.gz POPNMWRTSWZMFB-QGZVFWFLSA-N 2 1 301.478 3.203 20 10 DGCDMP C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000780893853 623995475 /nfs/dbraw/zinc/99/54/75/623995475.db2.gz UFEFUMMCDROJAE-QGZVFWFLSA-N 2 1 324.472 3.026 20 10 DGCDMP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000884474883 626886157 /nfs/dbraw/zinc/88/61/57/626886157.db2.gz OXNODKXSZNZSRJ-UHFFFAOYSA-N 2 1 318.461 3.160 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000809755582 626947404 /nfs/dbraw/zinc/94/74/04/626947404.db2.gz LUDAATLAWSKXET-KRWDZBQOSA-N 2 1 319.468 3.055 20 10 DGCDMP CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809768605 626949994 /nfs/dbraw/zinc/94/99/94/626949994.db2.gz QCIQLRMUEAZOCL-FUHWJXTLSA-N 2 1 301.478 3.201 20 10 DGCDMP Cc1cc(Cl)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000809767954 626950159 /nfs/dbraw/zinc/95/01/59/626950159.db2.gz YXBTYOWFAHCKMS-XJKSGUPXSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1O ZINC000809767954 626950162 /nfs/dbraw/zinc/95/01/62/626950162.db2.gz YXBTYOWFAHCKMS-XJKSGUPXSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1O ZINC000809767954 626950166 /nfs/dbraw/zinc/95/01/66/626950166.db2.gz YXBTYOWFAHCKMS-XJKSGUPXSA-N 2 1 308.853 3.270 20 10 DGCDMP C[NH+]1CCN(c2ccc(CNc3cc(C4CC4)cc[nH+]3)cc2)CC1 ZINC000810175614 626984434 /nfs/dbraw/zinc/98/44/34/626984434.db2.gz PBJSPHWRPLQHLV-UHFFFAOYSA-N 2 1 322.456 3.323 20 10 DGCDMP CCCC[C@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000811520571 627287146 /nfs/dbraw/zinc/28/71/46/627287146.db2.gz QQMBCKRSUQMSJC-KRWDZBQOSA-N 2 1 303.494 3.449 20 10 DGCDMP Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1N(C)C ZINC000815055116 627619377 /nfs/dbraw/zinc/61/93/77/627619377.db2.gz WESBEOGFZZHADI-LJQANCHMSA-N 2 1 315.505 3.369 20 10 DGCDMP Cc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1N(C)C ZINC000815056032 627619960 /nfs/dbraw/zinc/61/99/60/627619960.db2.gz YWJPGRKYZVFEPA-LJQANCHMSA-N 2 1 315.505 3.225 20 10 DGCDMP Cc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1N(C)C ZINC000815056032 627619961 /nfs/dbraw/zinc/61/99/61/627619961.db2.gz YWJPGRKYZVFEPA-LJQANCHMSA-N 2 1 315.505 3.225 20 10 DGCDMP Cc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1N(C)C ZINC000815056032 627619962 /nfs/dbraw/zinc/61/99/62/627619962.db2.gz YWJPGRKYZVFEPA-LJQANCHMSA-N 2 1 315.505 3.225 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815070936 627622358 /nfs/dbraw/zinc/62/23/58/627622358.db2.gz APJVSZIONUVRRC-VQIMIIECSA-N 2 1 303.494 3.223 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815070936 627622361 /nfs/dbraw/zinc/62/23/61/627622361.db2.gz APJVSZIONUVRRC-VQIMIIECSA-N 2 1 303.494 3.223 20 10 DGCDMP Oc1c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc2ccccc21 ZINC000816514976 627800918 /nfs/dbraw/zinc/80/09/18/627800918.db2.gz LVUYWXOXJMILHD-MRXNPFEDSA-N 2 1 310.441 3.463 20 10 DGCDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816642074 627818395 /nfs/dbraw/zinc/81/83/95/627818395.db2.gz OQHMNSMIXZPZOH-HXUWFJFHSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816642074 627818400 /nfs/dbraw/zinc/81/84/00/627818400.db2.gz OQHMNSMIXZPZOH-HXUWFJFHSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC000816642074 627818405 /nfs/dbraw/zinc/81/84/05/627818405.db2.gz OQHMNSMIXZPZOH-HXUWFJFHSA-N 2 1 310.441 3.463 20 10 DGCDMP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1O ZINC000817947769 627970898 /nfs/dbraw/zinc/97/08/98/627970898.db2.gz QLPFVOKKEGMYNF-WHXUTIOJSA-N 2 1 302.340 3.332 20 10 DGCDMP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817954825 627973171 /nfs/dbraw/zinc/97/31/71/627973171.db2.gz KVMUXBJIKFOINV-GHMZBOCLSA-N 2 1 302.340 3.061 20 10 DGCDMP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817954826 627973360 /nfs/dbraw/zinc/97/33/60/627973360.db2.gz KVMUXBJIKFOINV-MNOVXSKESA-N 2 1 302.340 3.061 20 10 DGCDMP C[C@@H]1CC2(C[N@@H+]1Cc1c(O)ccc(Cl)c1F)CC[NH2+]CC2 ZINC000818431606 628022397 /nfs/dbraw/zinc/02/23/97/628022397.db2.gz PUJDTCPNTWZPIA-LLVKDONJSA-N 2 1 312.816 3.149 20 10 DGCDMP C[C@@H]1CC2(C[N@H+]1Cc1c(O)ccc(Cl)c1F)CC[NH2+]CC2 ZINC000818431606 628022401 /nfs/dbraw/zinc/02/24/01/628022401.db2.gz PUJDTCPNTWZPIA-LLVKDONJSA-N 2 1 312.816 3.149 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835026113 629827354 /nfs/dbraw/zinc/82/73/54/629827354.db2.gz QMDXNSFXYFLSPS-KQCIVJTHSA-N 2 1 315.505 3.428 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835026113 629827357 /nfs/dbraw/zinc/82/73/57/629827357.db2.gz QMDXNSFXYFLSPS-KQCIVJTHSA-N 2 1 315.505 3.428 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835026113 629827361 /nfs/dbraw/zinc/82/73/61/629827361.db2.gz QMDXNSFXYFLSPS-KQCIVJTHSA-N 2 1 315.505 3.428 20 10 DGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835035520 629830269 /nfs/dbraw/zinc/83/02/69/629830269.db2.gz IVWCBYFTQRORQC-KJPDOMRESA-N 2 1 312.461 3.197 20 10 DGCDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840898412 630374442 /nfs/dbraw/zinc/37/44/42/630374442.db2.gz DSNRMFSCXJBMAW-UHFFFAOYSA-N 2 1 307.825 3.429 20 10 DGCDMP CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841005049 630394409 /nfs/dbraw/zinc/39/44/09/630394409.db2.gz DDURHFPVERAAJD-FUHWJXTLSA-N 2 1 303.494 3.351 20 10 DGCDMP CCOCc1cc(C[NH2+]CC2([NH3+])CCCCCC2)ccc1OC ZINC000841043397 630400968 /nfs/dbraw/zinc/40/09/68/630400968.db2.gz PXCSRJOXDPFICC-UHFFFAOYSA-N 2 1 320.477 3.373 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C[NH3+] ZINC000841100275 630408077 /nfs/dbraw/zinc/40/80/77/630408077.db2.gz AQYPQJARHGPTTP-WMZOPIPTSA-N 2 1 301.478 3.094 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000843127463 630616879 /nfs/dbraw/zinc/61/68/79/630616879.db2.gz REZKLNYHIVVWPN-SJORKVTESA-N 2 1 319.468 3.103 20 10 DGCDMP COc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1O ZINC000846138986 631211316 /nfs/dbraw/zinc/21/13/16/631211316.db2.gz ZGYYTEDKRLFDEV-LSDHHAIUSA-N 2 1 306.450 3.316 20 10 DGCDMP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1O ZINC000846142443 631211606 /nfs/dbraw/zinc/21/16/06/631211606.db2.gz TYALOPRHBHETEN-CYBMUJFWSA-N 2 1 304.434 3.068 20 10 DGCDMP COc1cccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1O ZINC000846168251 631213339 /nfs/dbraw/zinc/21/33/39/631213339.db2.gz RNMBHDYGFCQUBJ-WLYUNCDWSA-N 2 1 304.434 3.068 20 10 DGCDMP CCc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1O ZINC000848912765 631782867 /nfs/dbraw/zinc/78/28/67/631782867.db2.gz VOOWWQUJXXOKBH-QGZVFWFLSA-N 2 1 302.462 3.118 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1F ZINC000849350309 631900760 /nfs/dbraw/zinc/90/07/60/631900760.db2.gz NLLXWFJMVBRSAW-KRWDZBQOSA-N 2 1 319.468 3.103 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000852106466 632556134 /nfs/dbraw/zinc/55/61/34/632556134.db2.gz YVDAKHGIJJCTCM-IBGZPJMESA-N 2 1 301.478 3.060 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000852106466 632556138 /nfs/dbraw/zinc/55/61/38/632556138.db2.gz YVDAKHGIJJCTCM-IBGZPJMESA-N 2 1 301.478 3.060 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000852106466 632556144 /nfs/dbraw/zinc/55/61/44/632556144.db2.gz YVDAKHGIJJCTCM-IBGZPJMESA-N 2 1 301.478 3.060 20 10 DGCDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2c(cc1O)CCCC2 ZINC000185404154 660221519 /nfs/dbraw/zinc/22/15/19/660221519.db2.gz IHJHDYDQWAYAPQ-CABCVRRESA-N 2 1 302.462 3.263 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000174629079 659454348 /nfs/dbraw/zinc/45/43/48/659454348.db2.gz ABJHBJQANGVAIB-APWZRJJASA-N 2 1 303.494 3.353 20 10 DGCDMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001665160674 1197103194 /nfs/dbraw/zinc/10/31/94/1197103194.db2.gz UPTDWPWKDGJRCN-UHFFFAOYSA-N 2 1 302.821 3.252 20 10 DGCDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352646 1179260384 /nfs/dbraw/zinc/26/03/84/1179260384.db2.gz BZTIGDVKMLVCCY-QFBILLFUSA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352646 1179260389 /nfs/dbraw/zinc/26/03/89/1179260389.db2.gz BZTIGDVKMLVCCY-QFBILLFUSA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352646 1179260395 /nfs/dbraw/zinc/26/03/95/1179260395.db2.gz BZTIGDVKMLVCCY-QFBILLFUSA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352646 1179260397 /nfs/dbraw/zinc/26/03/97/1179260397.db2.gz BZTIGDVKMLVCCY-QFBILLFUSA-N 2 1 301.478 3.059 20 10 DGCDMP CCC[C@@H](C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001461729862 1182847425 /nfs/dbraw/zinc/84/74/25/1182847425.db2.gz SDFCCZLWPLHFAW-MRXNPFEDSA-N 2 1 321.484 3.493 20 10 DGCDMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)[C@@H]2C1 ZINC001621108433 1193804127 /nfs/dbraw/zinc/80/41/27/1193804127.db2.gz OVMKARWJIQQMTL-SXLOBPIMSA-N 2 1 313.489 3.107 20 10 DGCDMP CCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCC1 ZINC001651104840 1195414407 /nfs/dbraw/zinc/41/44/07/1195414407.db2.gz CJBWIGMFMXKYMU-UHFFFAOYSA-N 2 1 319.468 3.390 20 10 DGCDMP Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001651902451 1195522011 /nfs/dbraw/zinc/52/20/11/1195522011.db2.gz IGUZODBUWCSRAC-MRXNPFEDSA-N 2 1 308.853 3.496 20 10 DGCDMP Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001651902451 1195522016 /nfs/dbraw/zinc/52/20/16/1195522016.db2.gz IGUZODBUWCSRAC-MRXNPFEDSA-N 2 1 308.853 3.496 20 10 DGCDMP C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001658822076 1196304845 /nfs/dbraw/zinc/30/48/45/1196304845.db2.gz GYUGWCIURQFMGR-UONOGXRCSA-N 2 1 306.425 3.274 20 10 DGCDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC001660949339 1196545644 /nfs/dbraw/zinc/54/56/44/1196545644.db2.gz MHVBTKRPMDNIPM-INIZCTEOSA-N 2 1 321.484 3.493 20 10 DGCDMP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001661507930 1196613564 /nfs/dbraw/zinc/61/35/64/1196613564.db2.gz UXIALTBEZYMTQL-LSDHHAIUSA-N 2 1 307.457 3.102 20 10 DGCDMP CN(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167970395 1085904359 /nfs/dbraw/zinc/90/43/59/1085904359.db2.gz JGBWCAGPWVWKGO-CTXDPNEZSA-N 2 1 313.489 3.248 20 10 DGCDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001203934365 1090842747 /nfs/dbraw/zinc/84/27/47/1090842747.db2.gz SOHHBNBBDAHIFS-UHFFFAOYSA-N 2 1 303.494 3.305 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC001138213821 1091118288 /nfs/dbraw/zinc/11/82/88/1091118288.db2.gz AZCAESGANKSQMV-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC001138213821 1091118292 /nfs/dbraw/zinc/11/82/92/1091118292.db2.gz AZCAESGANKSQMV-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC001138222300 1091119677 /nfs/dbraw/zinc/11/96/77/1091119677.db2.gz QVFWLKSLYOESHH-KDURUIRLSA-N 2 1 313.489 3.060 20 10 DGCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC001138222300 1091119684 /nfs/dbraw/zinc/11/96/84/1091119684.db2.gz QVFWLKSLYOESHH-KDURUIRLSA-N 2 1 313.489 3.060 20 10 DGCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC001138222300 1091119687 /nfs/dbraw/zinc/11/96/87/1091119687.db2.gz QVFWLKSLYOESHH-KDURUIRLSA-N 2 1 313.489 3.060 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(Cl)c1 ZINC001205570000 1091258232 /nfs/dbraw/zinc/25/82/32/1091258232.db2.gz CEUIHEJUJZKPOB-INIZCTEOSA-N 2 1 313.848 3.059 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1 ZINC001205578650 1091264252 /nfs/dbraw/zinc/26/42/52/1091264252.db2.gz IDBKYAQHYYUNBQ-GOSISDBHSA-N 2 1 308.441 3.343 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C[NH3+] ZINC001205602672 1091273422 /nfs/dbraw/zinc/27/34/22/1091273422.db2.gz LGIUPIHPFNXFKC-SJLPKXTDSA-N 2 1 301.478 3.094 20 10 DGCDMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001205922851 1091415270 /nfs/dbraw/zinc/41/52/70/1091415270.db2.gz BVRVIHKIIUFMDC-ZIAGYGMSSA-N 2 1 316.445 3.136 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001205991481 1091439296 /nfs/dbraw/zinc/43/92/96/1091439296.db2.gz BAOLFNIEIWFNHQ-WMZOPIPTSA-N 2 1 303.494 3.340 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206005648 1091446426 /nfs/dbraw/zinc/44/64/26/1091446426.db2.gz YXXUAPOUWMTZLR-KGLIPLIRSA-N 2 1 309.885 3.213 20 10 DGCDMP COc1cc(C[N@@H+](C)C2CCCCC2)cc(C[NH+](C)C)c1O ZINC001139253583 1091501464 /nfs/dbraw/zinc/50/14/64/1091501464.db2.gz ZITIXSAOJIMHOH-UHFFFAOYSA-N 2 1 306.450 3.227 20 10 DGCDMP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(C)n1-c1ccccc1 ZINC001206164219 1091517152 /nfs/dbraw/zinc/51/71/52/1091517152.db2.gz JPTVRVOZRUVHIA-RBUKOAKNSA-N 2 1 315.436 3.355 20 10 DGCDMP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(C)n1-c1ccccc1 ZINC001206164219 1091517158 /nfs/dbraw/zinc/51/71/58/1091517158.db2.gz JPTVRVOZRUVHIA-RBUKOAKNSA-N 2 1 315.436 3.355 20 10 DGCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001206305248 1091571437 /nfs/dbraw/zinc/57/14/37/1091571437.db2.gz XDOKYUMUVOTWES-LJQANCHMSA-N 2 1 301.478 3.238 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206342709 1091584536 /nfs/dbraw/zinc/58/45/36/1091584536.db2.gz ADKFZQWJLYFIEU-SFHVURJKSA-N 2 1 307.457 3.186 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)cc1 ZINC001206342709 1091584541 /nfs/dbraw/zinc/58/45/41/1091584541.db2.gz ADKFZQWJLYFIEU-SFHVURJKSA-N 2 1 307.457 3.186 20 10 DGCDMP Cc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)ccc1N(C)C ZINC001206588603 1091679775 /nfs/dbraw/zinc/67/97/75/1091679775.db2.gz CMGCTUNHFOYWCP-GOSISDBHSA-N 2 1 303.494 3.414 20 10 DGCDMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(F)ccc1O ZINC001140058506 1091752443 /nfs/dbraw/zinc/75/24/43/1091752443.db2.gz DJQMZJFNOAMCIB-DLBZAZTESA-N 2 1 306.425 3.370 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H](C)C3)cc2)CC1 ZINC001140301934 1091818546 /nfs/dbraw/zinc/81/85/46/1091818546.db2.gz DRMRECCNMKKKSU-SFHVURJKSA-N 2 1 315.505 3.451 20 10 DGCDMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342296 1091834924 /nfs/dbraw/zinc/83/49/24/1091834924.db2.gz CFDLDMQBUGJIEW-CYBMUJFWSA-N 2 1 318.804 3.402 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(O)c1 ZINC001140855356 1092031068 /nfs/dbraw/zinc/03/10/68/1092031068.db2.gz WGVAGXLVMWRTFM-UHFFFAOYSA-N 2 1 319.493 3.156 20 10 DGCDMP C[N@H+](Cc1cccc(C(C)(C)C)c1O)CC1CC[NH+](C)CC1 ZINC001143110294 1092616991 /nfs/dbraw/zinc/61/69/91/1092616991.db2.gz BTVYMRMRBWOHSL-UHFFFAOYSA-N 2 1 304.478 3.463 20 10 DGCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCC2(CCCC2)C1 ZINC001222401456 1095596284 /nfs/dbraw/zinc/59/62/84/1095596284.db2.gz STBARQLZRIMRAZ-UHFFFAOYSA-N 2 1 313.489 3.252 20 10 DGCDMP Cc1ccc(C)c(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1O ZINC001222602521 1095687376 /nfs/dbraw/zinc/68/73/76/1095687376.db2.gz SEYOOAFAZARUMG-IBGZPJMESA-N 2 1 322.452 3.198 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001222620653 1095698618 /nfs/dbraw/zinc/69/86/18/1095698618.db2.gz WXMLMJMHRHKRAB-AZUAARDMSA-N 2 1 309.457 3.278 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001118242847 1095964961 /nfs/dbraw/zinc/96/49/61/1095964961.db2.gz LFADTAATQPBKKR-MOPGFXCFSA-N 2 1 313.489 3.108 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC001235105816 1098805933 /nfs/dbraw/zinc/80/59/33/1098805933.db2.gz HAWFXQZBQHNEHC-UHFFFAOYSA-N 2 1 309.457 3.422 20 10 DGCDMP Cc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)ccc1N(C)C ZINC001235190573 1098868384 /nfs/dbraw/zinc/86/83/84/1098868384.db2.gz WHSRVVJDBVECDE-UHFFFAOYSA-N 2 1 301.478 3.169 20 10 DGCDMP Nc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235385199 1098990135 /nfs/dbraw/zinc/99/01/35/1098990135.db2.gz UCNPIMPMHKQSPA-PZJWPPBQSA-N 2 1 321.468 3.022 20 10 DGCDMP Cc1c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c2ccccc2n1C ZINC001235404189 1099001713 /nfs/dbraw/zinc/00/17/13/1099001713.db2.gz MZSIYVBRFDKHEX-RTBURBONSA-N 2 1 315.436 3.010 20 10 DGCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccccc1)C[NH2+]CCO2 ZINC001235675255 1099118943 /nfs/dbraw/zinc/11/89/43/1099118943.db2.gz SYQHCFJLXYMQTF-GOSISDBHSA-N 2 1 324.424 3.211 20 10 DGCDMP CCC[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235693927 1099132383 /nfs/dbraw/zinc/13/23/83/1099132383.db2.gz KFEDDTRWIUYSBM-INIZCTEOSA-N 2 1 304.434 3.029 20 10 DGCDMP Cc1cc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)c(C)n1-c1ccccc1 ZINC001235710849 1099139277 /nfs/dbraw/zinc/13/92/77/1099139277.db2.gz ICYZWRTVYYOLTB-UHFFFAOYSA-N 2 1 309.457 3.280 20 10 DGCDMP Cc1cc(C[N@H+]2CCCC3(C[NH2+]C3)C2)c(C)n1-c1ccccc1 ZINC001235710849 1099139281 /nfs/dbraw/zinc/13/92/81/1099139281.db2.gz ICYZWRTVYYOLTB-UHFFFAOYSA-N 2 1 309.457 3.280 20 10 DGCDMP CC[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])C1CC[NH2+]CC1 ZINC001235765285 1099170834 /nfs/dbraw/zinc/17/08/34/1099170834.db2.gz YFZPHEJHRUIDHC-UHFFFAOYSA-N 2 1 303.233 3.273 20 10 DGCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]3CCCC[C@H]31)C[NH2+]CCO2 ZINC001235868986 1099226759 /nfs/dbraw/zinc/22/67/59/1099226759.db2.gz XWTQMIVIOHIJJS-RHSMWYFYSA-N 2 1 316.445 3.029 20 10 DGCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]3CCCC[C@@H]31)C[NH2+]CCO2 ZINC001235868990 1099227761 /nfs/dbraw/zinc/22/77/61/1099227761.db2.gz XWTQMIVIOHIJJS-YOEHRIQHSA-N 2 1 316.445 3.029 20 10 DGCDMP CC[N@@H+](Cc1cccs1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236088257 1099379261 /nfs/dbraw/zinc/37/92/61/1099379261.db2.gz BTVGMYREEBXIFN-UHFFFAOYSA-N 2 1 315.486 3.180 20 10 DGCDMP Oc1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cccc1-c1ccccc1 ZINC001236320079 1099533935 /nfs/dbraw/zinc/53/39/35/1099533935.db2.gz BDEXMRMSZNKEFO-HDICACEKSA-N 2 1 322.452 3.491 20 10 DGCDMP CCC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CC[NH2+]C1 ZINC001236324432 1099539078 /nfs/dbraw/zinc/53/90/78/1099539078.db2.gz PUFALJZNXKIQLT-OAHLLOKOSA-N 2 1 314.429 3.128 20 10 DGCDMP CCC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CC[NH2+]C1 ZINC001236324432 1099539087 /nfs/dbraw/zinc/53/90/87/1099539087.db2.gz PUFALJZNXKIQLT-OAHLLOKOSA-N 2 1 314.429 3.128 20 10 DGCDMP Oc1ccc(F)c(F)c1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375358 1099563059 /nfs/dbraw/zinc/56/30/59/1099563059.db2.gz KPEIDLXGRHEMFU-ZDUSSCGKSA-N 2 1 324.415 3.415 20 10 DGCDMP Oc1ccc(F)c(F)c1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375358 1099563071 /nfs/dbraw/zinc/56/30/71/1099563071.db2.gz KPEIDLXGRHEMFU-ZDUSSCGKSA-N 2 1 324.415 3.415 20 10 DGCDMP Cc1c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c2ccccc2n1C ZINC001236599595 1099695552 /nfs/dbraw/zinc/69/55/52/1099695552.db2.gz TVGLJRBQAQLRJS-MRXNPFEDSA-N 2 1 311.473 3.451 20 10 DGCDMP Cc1cc(Cl)cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1O ZINC001236602549 1099697115 /nfs/dbraw/zinc/69/71/15/1099697115.db2.gz XDSREZDMOFSLRB-ZDUSSCGKSA-N 2 1 308.853 3.318 20 10 DGCDMP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236797640 1099789688 /nfs/dbraw/zinc/78/96/88/1099789688.db2.gz ZTSLQFWXWIEEII-UHFFFAOYSA-N 2 1 317.260 3.473 20 10 DGCDMP COc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(O)c1 ZINC001236812942 1099801889 /nfs/dbraw/zinc/80/18/89/1099801889.db2.gz HTCJICOULZUKJG-UHFFFAOYSA-N 2 1 320.477 3.261 20 10 DGCDMP CCC[N@@H+](Cc1ccc(N(C)C)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236836457 1099824450 /nfs/dbraw/zinc/82/44/50/1099824450.db2.gz VOLOTTGIKPNBRZ-CQSZACIVSA-N 2 1 309.885 3.228 20 10 DGCDMP CCC[N@H+](Cc1ccc(N(C)C)cc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236836457 1099824455 /nfs/dbraw/zinc/82/44/55/1099824455.db2.gz VOLOTTGIKPNBRZ-CQSZACIVSA-N 2 1 309.885 3.228 20 10 DGCDMP CCC[N@H+](Cc1cc(C(F)(F)F)ccc1O)C[C@H]1CC[NH2+]C1 ZINC001236843778 1099828037 /nfs/dbraw/zinc/82/80/37/1099828037.db2.gz QXHOLPNYKQGZRP-LBPRGKRZSA-N 2 1 316.367 3.233 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237146490 1099995799 /nfs/dbraw/zinc/99/57/99/1099995799.db2.gz SENNNDBDCHBWBQ-FQEVSTJZSA-N 2 1 313.489 3.393 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237146490 1099995808 /nfs/dbraw/zinc/99/58/08/1099995808.db2.gz SENNNDBDCHBWBQ-FQEVSTJZSA-N 2 1 313.489 3.393 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC001197286537 1101530169 /nfs/dbraw/zinc/53/01/69/1101530169.db2.gz XQVCHBQPODFEGO-UHFFFAOYSA-N 2 1 303.494 3.451 20 10 DGCDMP C[C@H](CCC1CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325620439 1103085897 /nfs/dbraw/zinc/08/58/97/1103085897.db2.gz YAWFIGRMACCECG-OAHLLOKOSA-N 2 1 319.468 3.246 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC001328401219 1103933656 /nfs/dbraw/zinc/93/36/56/1103933656.db2.gz VAOCBGYWMKKLGY-UXHICEINSA-N 2 1 313.489 3.393 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC001328401219 1103933664 /nfs/dbraw/zinc/93/36/64/1103933664.db2.gz VAOCBGYWMKKLGY-UXHICEINSA-N 2 1 313.489 3.393 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1 ZINC001275833205 1104926273 /nfs/dbraw/zinc/92/62/73/1104926273.db2.gz BSTZERFSYWEHIH-KDURUIRLSA-N 2 1 315.505 3.306 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1 ZINC001275833205 1104926276 /nfs/dbraw/zinc/92/62/76/1104926276.db2.gz BSTZERFSYWEHIH-KDURUIRLSA-N 2 1 315.505 3.306 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1 ZINC001275833205 1104926280 /nfs/dbraw/zinc/92/62/80/1104926280.db2.gz BSTZERFSYWEHIH-KDURUIRLSA-N 2 1 315.505 3.306 20 10 DGCDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C ZINC001320509419 1107034539 /nfs/dbraw/zinc/03/45/39/1107034539.db2.gz PYQQJFKMXYRFOY-HZPDHXFCSA-N 2 1 319.468 3.055 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C ZINC001320509419 1107034552 /nfs/dbraw/zinc/03/45/52/1107034552.db2.gz PYQQJFKMXYRFOY-HZPDHXFCSA-N 2 1 319.468 3.055 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+](C)CC(C)(C)C[NH+](C)C)c1O ZINC001308970650 1111502566 /nfs/dbraw/zinc/50/25/66/1111502566.db2.gz MRAYWIJRCSJYKB-UHFFFAOYSA-N 2 1 314.857 3.074 20 10 DGCDMP COc1cc(Cl)cc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c1O ZINC001308970650 1111502567 /nfs/dbraw/zinc/50/25/67/1111502567.db2.gz MRAYWIJRCSJYKB-UHFFFAOYSA-N 2 1 314.857 3.074 20 10 DGCDMP COc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000273607978 130143043 /nfs/dbraw/zinc/14/30/43/130143043.db2.gz UWYFWZQTJJMDPG-CYBMUJFWSA-N 2 1 304.434 3.068 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1n1ccnc1 ZINC000091960336 431906093 /nfs/dbraw/zinc/90/60/93/431906093.db2.gz PZHIOQPXSALXDU-DOMZBBRYSA-N 2 1 305.809 3.325 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000153448220 432410142 /nfs/dbraw/zinc/41/01/42/432410142.db2.gz JDANRTRPTSZACC-GOSISDBHSA-N 2 1 302.462 3.459 20 10 DGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279008856 432926200 /nfs/dbraw/zinc/92/62/00/432926200.db2.gz SOVSGMZJQMXNPI-HZPDHXFCSA-N 2 1 312.461 3.252 20 10 DGCDMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000287534718 434387129 /nfs/dbraw/zinc/38/71/29/434387129.db2.gz PCOKPDIZORSUQK-WMLDXEAASA-N 2 1 324.440 3.073 20 10 DGCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000556877824 435034930 /nfs/dbraw/zinc/03/49/30/435034930.db2.gz MRHVJSUCSNTFAD-KSZLIROESA-N 2 1 311.473 3.449 20 10 DGCDMP Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000853240315 620680880 /nfs/dbraw/zinc/68/08/80/620680880.db2.gz OWJMWKLOHPFNQG-DOTOQJQBSA-N 2 1 300.446 3.091 20 10 DGCDMP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000853239254 620680947 /nfs/dbraw/zinc/68/09/47/620680947.db2.gz CVWNBAXPMOPASN-ZBFHGGJFSA-N 2 1 318.461 3.173 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](CC2CC[NH+](C)CC2)C2CC2)cc1 ZINC000891595919 617847573 /nfs/dbraw/zinc/84/75/73/617847573.db2.gz GITLJNDJJVQIQE-UHFFFAOYSA-N 2 1 301.478 3.059 20 10 DGCDMP C[NH+]1CCC(C[N@@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000892012230 617944171 /nfs/dbraw/zinc/94/41/71/617944171.db2.gz LZOAYNVGOPRJJV-UHFFFAOYSA-N 2 1 302.462 3.479 20 10 DGCDMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000854230432 620786656 /nfs/dbraw/zinc/78/66/56/620786656.db2.gz PLUPLZUTYRUMIM-GXFFZTMASA-N 2 1 304.356 3.435 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1C[NH3+] ZINC000904412076 619921155 /nfs/dbraw/zinc/92/11/55/619921155.db2.gz PEZOXMNYTGUUFV-WMZOPIPTSA-N 2 1 301.478 3.094 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841086225 620216068 /nfs/dbraw/zinc/21/60/68/620216068.db2.gz GCUMAVLJSYCPOA-WFASDCNBSA-N 2 1 324.852 3.018 20 10 DGCDMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921563564 620908771 /nfs/dbraw/zinc/90/87/71/620908771.db2.gz NKEBXLGCMULYLW-UHFFFAOYSA-N 2 1 302.462 3.364 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858179551 621162056 /nfs/dbraw/zinc/16/20/56/621162056.db2.gz NWTPWPKHXGRDBL-FUHWJXTLSA-N 2 1 317.521 3.454 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C(C)(C)C)C3)cc2)CC1 ZINC000753592658 621452316 /nfs/dbraw/zinc/45/23/16/621452316.db2.gz ZMHFOYPUUBPPTC-SFHVURJKSA-N 2 1 315.505 3.306 20 10 DGCDMP COc1cc(C)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000754740021 621529917 /nfs/dbraw/zinc/52/99/17/621529917.db2.gz FZQMJVXLIBYFGI-INIZCTEOSA-N 2 1 318.461 3.017 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C)CCn2cc[nH+]c2C)cc1 ZINC000766240047 622314351 /nfs/dbraw/zinc/31/43/51/622314351.db2.gz ULCUYWUONYNCFM-UHFFFAOYSA-N 2 1 300.450 3.170 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)CCn2cc[nH+]c2C)cc1 ZINC000766240047 622314352 /nfs/dbraw/zinc/31/43/52/622314352.db2.gz ULCUYWUONYNCFM-UHFFFAOYSA-N 2 1 300.450 3.170 20 10 DGCDMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c(O)c1 ZINC000769470747 622530526 /nfs/dbraw/zinc/53/05/26/622530526.db2.gz OTNBYTGUMINLNU-GOEBONIOSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c(O)c1 ZINC000769470747 622530527 /nfs/dbraw/zinc/53/05/27/622530527.db2.gz OTNBYTGUMINLNU-GOEBONIOSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c(O)c1 ZINC000769470747 622530528 /nfs/dbraw/zinc/53/05/28/622530528.db2.gz OTNBYTGUMINLNU-GOEBONIOSA-N 2 1 306.450 3.096 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773753298 623067515 /nfs/dbraw/zinc/06/75/15/623067515.db2.gz FPKRKPBNANIQNY-GOSISDBHSA-N 2 1 303.494 3.306 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773753298 623067521 /nfs/dbraw/zinc/06/75/21/623067521.db2.gz FPKRKPBNANIQNY-GOSISDBHSA-N 2 1 303.494 3.306 20 10 DGCDMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1O ZINC000775504317 623281500 /nfs/dbraw/zinc/28/15/00/623281500.db2.gz XKDWXNWWDHYGRK-FUHWJXTLSA-N 2 1 318.461 3.076 20 10 DGCDMP C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775649400 623303761 /nfs/dbraw/zinc/30/37/61/623303761.db2.gz QXLBPWLPOXOHJF-PXNSSMCTSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775650298 623304491 /nfs/dbraw/zinc/30/44/91/623304491.db2.gz YAOKGEUQKUUFNX-MRXNPFEDSA-N 2 1 313.445 3.224 20 10 DGCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CCCC1 ZINC000775666128 623309448 /nfs/dbraw/zinc/30/94/48/623309448.db2.gz SRLHDVVIUUVAMJ-UHFFFAOYSA-N 2 1 301.478 3.060 20 10 DGCDMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775669172 623309647 /nfs/dbraw/zinc/30/96/47/623309647.db2.gz TVXKLQOKJXQTTE-DLBZAZTESA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(F)cc1O ZINC000925885950 627811910 /nfs/dbraw/zinc/81/19/10/627811910.db2.gz BXSSCASTWLEXLZ-IYJAJMOOSA-N 2 1 314.404 3.241 20 10 DGCDMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817958111 627975141 /nfs/dbraw/zinc/97/51/41/627975141.db2.gz HPZIUCQUSHYZHD-YOEHRIQHSA-N 2 1 307.457 3.450 20 10 DGCDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817960336 627975893 /nfs/dbraw/zinc/97/58/93/627975893.db2.gz MEDDDHKQAIFTFB-DYVFJYSZSA-N 2 1 305.441 3.204 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(Cl)c(Cl)cc1O ZINC000817980651 627982657 /nfs/dbraw/zinc/98/26/57/627982657.db2.gz CTVBCHSPQPVSIL-LPEHRKFASA-N 2 1 303.233 3.477 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000835026074 629827328 /nfs/dbraw/zinc/82/73/28/629827328.db2.gz PEFSTINFGKLVHO-VOFKWLDRSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000835026074 629827329 /nfs/dbraw/zinc/82/73/29/629827329.db2.gz PEFSTINFGKLVHO-VOFKWLDRSA-N 2 1 313.489 3.184 20 10 DGCDMP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835026223 629827730 /nfs/dbraw/zinc/82/77/30/629827730.db2.gz QODGNLHRLPRZRS-QULHZPMSSA-N 2 1 315.505 3.430 20 10 DGCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835026223 629827734 /nfs/dbraw/zinc/82/77/34/629827734.db2.gz QODGNLHRLPRZRS-QULHZPMSSA-N 2 1 315.505 3.430 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000835030452 629829834 /nfs/dbraw/zinc/82/98/34/629829834.db2.gz YEHVCRBYEANRCM-DTRRYIFCSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000835030452 629829836 /nfs/dbraw/zinc/82/98/36/629829836.db2.gz YEHVCRBYEANRCM-DTRRYIFCSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000835030452 629829839 /nfs/dbraw/zinc/82/98/39/629829839.db2.gz YEHVCRBYEANRCM-DTRRYIFCSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000835049259 629835626 /nfs/dbraw/zinc/83/56/26/629835626.db2.gz PIUQKFIJCGGTAM-YEODSOHDSA-N 2 1 301.478 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000835049259 629835631 /nfs/dbraw/zinc/83/56/31/629835631.db2.gz PIUQKFIJCGGTAM-YEODSOHDSA-N 2 1 301.478 3.182 20 10 DGCDMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000840811207 630361424 /nfs/dbraw/zinc/36/14/24/630361424.db2.gz ZOPXSFSWUFGXLH-VNHYZAJKSA-N 2 1 306.425 3.401 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000840893562 630373957 /nfs/dbraw/zinc/37/39/57/630373957.db2.gz LLJQKYUDALDNRL-MRXNPFEDSA-N 2 1 315.505 3.208 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000840895494 630374272 /nfs/dbraw/zinc/37/42/72/630374272.db2.gz YUQZXTAIXZYMOS-QRFRQXIXSA-N 2 1 315.505 3.208 20 10 DGCDMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000841037183 630400053 /nfs/dbraw/zinc/40/00/53/630400053.db2.gz YYBGEDFZLWCHNS-UWJYYQICSA-N 2 1 323.484 3.454 20 10 DGCDMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000841037183 630400054 /nfs/dbraw/zinc/40/00/54/630400054.db2.gz YYBGEDFZLWCHNS-UWJYYQICSA-N 2 1 323.484 3.454 20 10 DGCDMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)[C@H](c2ccccc2)C1 ZINC000842923971 630593491 /nfs/dbraw/zinc/59/34/91/630593491.db2.gz MLUQKAFRHLGWEM-CEXWTWQISA-N 2 1 322.452 3.315 20 10 DGCDMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)[C@H](c2ccccc2)C1 ZINC000842923972 630593537 /nfs/dbraw/zinc/59/35/37/630593537.db2.gz MLUQKAFRHLGWEM-QYZOEREBSA-N 2 1 322.452 3.315 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1F ZINC000843044152 630607497 /nfs/dbraw/zinc/60/74/97/630607497.db2.gz FNHXIQXGRQXBLP-INIZCTEOSA-N 2 1 307.457 3.103 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1F ZINC000843044152 630607500 /nfs/dbraw/zinc/60/75/00/630607500.db2.gz FNHXIQXGRQXBLP-INIZCTEOSA-N 2 1 307.457 3.103 20 10 DGCDMP CCN(Cc1ccccc1)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000843048387 630608504 /nfs/dbraw/zinc/60/85/04/630608504.db2.gz QBOUFWWLPGKUBG-FQEVSTJZSA-N 2 1 323.484 3.494 20 10 DGCDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843051921 630608670 /nfs/dbraw/zinc/60/86/70/630608670.db2.gz MWBSZPGJMBJSAD-AEFFLSMTSA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1C[NH3+] ZINC000843052245 630608837 /nfs/dbraw/zinc/60/88/37/630608837.db2.gz QOWSZDOVTZQUCQ-VQIMIIECSA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]1C[NH3+] ZINC000843052245 630608840 /nfs/dbraw/zinc/60/88/40/630608840.db2.gz QOWSZDOVTZQUCQ-VQIMIIECSA-N 2 1 301.478 3.236 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000843057389 630609250 /nfs/dbraw/zinc/60/92/50/630609250.db2.gz CXGVBKWHQQDRJB-QXAKKESOSA-N 2 1 301.478 3.092 20 10 DGCDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC000843058028 630610160 /nfs/dbraw/zinc/61/01/60/630610160.db2.gz LMVDYHYGRKWAIU-YSIASYRMSA-N 2 1 313.489 3.236 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843120197 630615688 /nfs/dbraw/zinc/61/56/88/630615688.db2.gz SJHKKOGGVUKKOR-UHFFFAOYSA-N 2 1 301.478 3.108 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120171 630615813 /nfs/dbraw/zinc/61/58/13/630615813.db2.gz HLNAGHGVDWILKA-UHFFFAOYSA-N 2 1 313.489 3.252 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350758 631901369 /nfs/dbraw/zinc/90/13/69/631901369.db2.gz VFVPLFBLVPUKHQ-LJQANCHMSA-N 2 1 315.505 3.273 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093604548 656363777 /nfs/dbraw/zinc/36/37/77/656363777.db2.gz CCCKEXYUPYQXJN-LJQANCHMSA-N 2 1 315.505 3.451 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000158006070 661869670 /nfs/dbraw/zinc/86/96/70/661869670.db2.gz OBEOGCUBYCVCNB-APWZRJJASA-N 2 1 314.473 3.458 20 10 DGCDMP Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000383936769 685169822 /nfs/dbraw/zinc/16/98/22/685169822.db2.gz CYFVMAOFPWUYRU-HKUYNNGSSA-N 2 1 322.452 3.491 20 10 DGCDMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC001576597022 1191850352 /nfs/dbraw/zinc/85/03/52/1191850352.db2.gz CRJNNKMACDDRAZ-WMZOPIPTSA-N 2 1 301.478 3.107 20 10 DGCDMP Oc1c(F)cc(F)cc1C[NH+]1CCC([C@@H]2[NH2+]CC23CCC3)CC1 ZINC001580886110 1192043931 /nfs/dbraw/zinc/04/39/31/1192043931.db2.gz YFKQDFHWOMPFBD-KRWDZBQOSA-N 2 1 322.399 3.025 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1C ZINC001335238718 1178877444 /nfs/dbraw/zinc/87/74/44/1178877444.db2.gz TZPTXAZMEZYFCB-LZLYRXPVSA-N 2 1 302.462 3.171 20 10 DGCDMP Nc1ccc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC001356082670 1181139035 /nfs/dbraw/zinc/13/90/35/1181139035.db2.gz BOQVVVNFFKDQEU-LPHOPBHVSA-N 2 1 301.478 3.388 20 10 DGCDMP CCC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1 ZINC001474037635 1183856044 /nfs/dbraw/zinc/85/60/44/1183856044.db2.gz LAHSTEDNKXCNQM-UHFFFAOYSA-N 2 1 319.468 3.247 20 10 DGCDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001663855761 1196951498 /nfs/dbraw/zinc/95/14/98/1196951498.db2.gz ZRVOZVDADQQGBN-UHFFFAOYSA-N 2 1 312.404 3.223 20 10 DGCDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001663855761 1196951499 /nfs/dbraw/zinc/95/14/99/1196951499.db2.gz ZRVOZVDADQQGBN-UHFFFAOYSA-N 2 1 312.404 3.223 20 10 DGCDMP Nc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000380110495 1197703542 /nfs/dbraw/zinc/70/35/42/1197703542.db2.gz ZIZUFFBOSZFCRK-VQTJNVASSA-N 2 1 321.468 3.223 20 10 DGCDMP Nc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000380110495 1197703545 /nfs/dbraw/zinc/70/35/45/1197703545.db2.gz ZIZUFFBOSZFCRK-VQTJNVASSA-N 2 1 321.468 3.223 20 10 DGCDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000314945589 1199797234 /nfs/dbraw/zinc/79/72/34/1199797234.db2.gz RPPZQLDYTMVFFG-SFHVURJKSA-N 2 1 301.478 3.107 20 10 DGCDMP Oc1ccc(Cl)c(Cl)c1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235338087 1088317273 /nfs/dbraw/zinc/31/72/73/1088317273.db2.gz AYFTTWUOLSTBAQ-UHFFFAOYSA-N 2 1 315.244 3.130 20 10 DGCDMP CN(C)c1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC001204232390 1090929394 /nfs/dbraw/zinc/92/93/94/1090929394.db2.gz BVLKIJZNAMBJQU-UHFFFAOYSA-N 2 1 311.473 3.432 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC001204232390 1090929395 /nfs/dbraw/zinc/92/93/95/1090929395.db2.gz BVLKIJZNAMBJQU-UHFFFAOYSA-N 2 1 311.473 3.432 20 10 DGCDMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)CC1 ZINC001204321091 1090948215 /nfs/dbraw/zinc/94/82/15/1090948215.db2.gz GDWPCQMGXNCAKQ-UHFFFAOYSA-N 2 1 313.489 3.205 20 10 DGCDMP C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205164402 1091116242 /nfs/dbraw/zinc/11/62/42/1091116242.db2.gz FKZNKXRBMDICLJ-KRWDZBQOSA-N 2 1 321.468 3.216 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1C[NH3+] ZINC001205602673 1091273311 /nfs/dbraw/zinc/27/33/11/1091273311.db2.gz LGIUPIHPFNXFKC-WMZOPIPTSA-N 2 1 301.478 3.094 20 10 DGCDMP COc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139258227 1091504026 /nfs/dbraw/zinc/50/40/26/1091504026.db2.gz NBUPKHJDSSTALT-KGLIPLIRSA-N 2 1 306.450 3.083 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(O)c1 ZINC001206311821 1091573569 /nfs/dbraw/zinc/57/35/69/1091573569.db2.gz VKPKUZNKGWBKBQ-LJQANCHMSA-N 2 1 319.493 3.189 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)c2c1 ZINC001206805712 1091747819 /nfs/dbraw/zinc/74/78/19/1091747819.db2.gz CRQVZALISDXYQH-KGLIPLIRSA-N 2 1 314.429 3.113 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](CC3CC3)C(C)C)cc2)CC1 ZINC001140304393 1091819883 /nfs/dbraw/zinc/81/98/83/1091819883.db2.gz NHBXBBQPGAOYDQ-UHFFFAOYSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC34CCCC4)cc2)CC1 ZINC001140302140 1091820858 /nfs/dbraw/zinc/82/08/58/1091820858.db2.gz LEXBXVCKKAHLEG-UHFFFAOYSA-N 2 1 313.489 3.347 20 10 DGCDMP Cc1c(O)ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1O ZINC001140748977 1091985396 /nfs/dbraw/zinc/98/53/96/1091985396.db2.gz MSFLRXOEEYSGSH-IRXDYDNUSA-N 2 1 318.461 3.245 20 10 DGCDMP Cc1c(O)ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1O ZINC001140748977 1091985404 /nfs/dbraw/zinc/98/54/04/1091985404.db2.gz MSFLRXOEEYSGSH-IRXDYDNUSA-N 2 1 318.461 3.245 20 10 DGCDMP Cc1c(O)ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1O ZINC001140748977 1091985408 /nfs/dbraw/zinc/98/54/08/1091985408.db2.gz MSFLRXOEEYSGSH-IRXDYDNUSA-N 2 1 318.461 3.245 20 10 DGCDMP C[N@H+]1CCCC2(CC[NH+](Cc3cc(Cl)c(O)cc3O)CC2)C1 ZINC001276617010 1092660428 /nfs/dbraw/zinc/66/04/28/1092660428.db2.gz MIYQYUPTHGLVMV-UHFFFAOYSA-N 2 1 324.852 3.059 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000316871783 1095198518 /nfs/dbraw/zinc/19/85/18/1095198518.db2.gz WNZLDZRJAGAMAG-QXSJWSMHSA-N 2 1 300.446 3.465 20 10 DGCDMP CCCC(C)(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116031421 1095440275 /nfs/dbraw/zinc/44/02/75/1095440275.db2.gz FFFVIGYZGAKQNS-UHFFFAOYSA-N 2 1 307.457 3.246 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1Cl ZINC001222314082 1095545052 /nfs/dbraw/zinc/54/50/52/1095545052.db2.gz BULNCUZPIZHGTE-KRWDZBQOSA-N 2 1 308.853 3.462 20 10 DGCDMP C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116444985 1095558062 /nfs/dbraw/zinc/55/80/62/1095558062.db2.gz KPTWBHNDRFFBDG-HOTGVXAUSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116444985 1095558072 /nfs/dbraw/zinc/55/80/72/1095558072.db2.gz KPTWBHNDRFFBDG-HOTGVXAUSA-N 2 1 319.468 3.198 20 10 DGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC001116565793 1095602464 /nfs/dbraw/zinc/60/24/64/1095602464.db2.gz XDISXFBNVGBZRE-GUTXKFCHSA-N 2 1 306.425 3.401 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001118016083 1095923037 /nfs/dbraw/zinc/92/30/37/1095923037.db2.gz TURIBAFLHHTUCO-ICSRJNTNSA-N 2 1 313.489 3.251 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001118242849 1095965189 /nfs/dbraw/zinc/96/51/89/1095965189.db2.gz LFADTAATQPBKKR-RBUKOAKNSA-N 2 1 313.489 3.108 20 10 DGCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322553619 1096729258 /nfs/dbraw/zinc/72/92/58/1096729258.db2.gz BPUNGLOXQYPGPE-NIOBXDJOSA-N 2 1 300.446 3.464 20 10 DGCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001172102942 1097053558 /nfs/dbraw/zinc/05/35/58/1097053558.db2.gz QWVLYTPQLYUURF-VJDPLVQDSA-N 2 1 313.489 3.392 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC001234994454 1098739548 /nfs/dbraw/zinc/73/95/48/1098739548.db2.gz TZSKXFBCQSODAW-IBGZPJMESA-N 2 1 302.462 3.265 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC001235030043 1098759589 /nfs/dbraw/zinc/75/95/89/1098759589.db2.gz DUJLPLOUITYHMP-HXUWFJFHSA-N 2 1 309.457 3.091 20 10 DGCDMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(O)c1 ZINC001235152804 1098839265 /nfs/dbraw/zinc/83/92/65/1098839265.db2.gz BIRGRCNJUJBYCE-GOSISDBHSA-N 2 1 318.461 3.145 20 10 DGCDMP Oc1cccc(Cl)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235153296 1098839691 /nfs/dbraw/zinc/83/96/91/1098839691.db2.gz JIEHPETZRSWOQX-INIZCTEOSA-N 2 1 308.853 3.400 20 10 DGCDMP Oc1ccc(F)c(F)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235237364 1098911256 /nfs/dbraw/zinc/91/12/56/1098911256.db2.gz AOHGIDNBPGMRFN-OAHLLOKOSA-N 2 1 310.388 3.025 20 10 DGCDMP Cc1cccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1O ZINC001235355341 1098974407 /nfs/dbraw/zinc/97/44/07/1098974407.db2.gz OUUSBODYWIBUAI-TZIWHRDSSA-N 2 1 322.452 3.280 20 10 DGCDMP Oc1ccccc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235363823 1098981051 /nfs/dbraw/zinc/98/10/51/1098981051.db2.gz KFEWILNDOSPVRY-FPOVZHCZSA-N 2 1 322.452 3.145 20 10 DGCDMP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(O)c1 ZINC001235426371 1099018820 /nfs/dbraw/zinc/01/88/20/1099018820.db2.gz KQGZKXIHJILPPY-IAGOWNOFSA-N 2 1 302.462 3.221 20 10 DGCDMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(O)c1 ZINC001235426372 1099019402 /nfs/dbraw/zinc/01/94/02/1099019402.db2.gz KQGZKXIHJILPPY-IRXDYDNUSA-N 2 1 302.462 3.221 20 10 DGCDMP C[N@@H+](C/C=C/c1ccccc1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235961940 1099294572 /nfs/dbraw/zinc/29/45/72/1099294572.db2.gz JTFJHDPGUWAKCW-VMPITWQZSA-N 2 1 324.424 3.019 20 10 DGCDMP C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219709 1099478185 /nfs/dbraw/zinc/47/81/85/1099478185.db2.gz XMXDJTIPSNXEIQ-RBUKOAKNSA-N 2 1 313.489 3.087 20 10 DGCDMP C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219709 1099478191 /nfs/dbraw/zinc/47/81/91/1099478191.db2.gz XMXDJTIPSNXEIQ-RBUKOAKNSA-N 2 1 313.489 3.087 20 10 DGCDMP Cc1cc(O)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1Cl ZINC001236600396 1099697504 /nfs/dbraw/zinc/69/75/04/1099697504.db2.gz HUKNEFDNFGNNMO-ZDUSSCGKSA-N 2 1 308.853 3.318 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001236818144 1099805893 /nfs/dbraw/zinc/80/58/93/1099805893.db2.gz GLLCHMVSBBEHQO-SXLOBPIMSA-N 2 1 309.457 3.263 20 10 DGCDMP COc1cc(C)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(O)c1 ZINC001236819121 1099805998 /nfs/dbraw/zinc/80/59/98/1099805998.db2.gz UBMCSJZGYBWLJW-UHFFFAOYSA-N 2 1 318.461 3.160 20 10 DGCDMP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001236884119 1099850753 /nfs/dbraw/zinc/85/07/53/1099850753.db2.gz KJFXLYZUKGOGAL-KRWDZBQOSA-N 2 1 302.393 3.367 20 10 DGCDMP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001236884119 1099850759 /nfs/dbraw/zinc/85/07/59/1099850759.db2.gz KJFXLYZUKGOGAL-KRWDZBQOSA-N 2 1 302.393 3.367 20 10 DGCDMP CCOc1ccc(C[N@H+](C(C)C)C2CCN(C)CC2)c([O-])c1 ZINC001237046464 1099941484 /nfs/dbraw/zinc/94/14/84/1099941484.db2.gz CHSRJVKBUINIEY-UHFFFAOYSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(C[N@@H+](C(C)C)C2CCN(C)CC2)c([O-])c1 ZINC001237046464 1099941494 /nfs/dbraw/zinc/94/14/94/1099941494.db2.gz CHSRJVKBUINIEY-UHFFFAOYSA-N 2 1 306.450 3.096 20 10 DGCDMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237203250 1100029974 /nfs/dbraw/zinc/02/99/74/1100029974.db2.gz BVJHFRPEPDZHGE-PXAZEXFGSA-N 2 1 300.377 3.120 20 10 DGCDMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237203250 1100029984 /nfs/dbraw/zinc/02/99/84/1100029984.db2.gz BVJHFRPEPDZHGE-PXAZEXFGSA-N 2 1 300.377 3.120 20 10 DGCDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237487349 1100141550 /nfs/dbraw/zinc/14/15/50/1100141550.db2.gz YKMDONIKRVHYFS-UHFFFAOYSA-N 2 1 311.429 3.143 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC001203942845 1102224666 /nfs/dbraw/zinc/22/46/66/1102224666.db2.gz UHZXPJMKBBNPJO-UHFFFAOYSA-N 2 1 315.505 3.451 20 10 DGCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4ccccc4c3O)C[C@H]2CC1 ZINC001276373999 1103696127 /nfs/dbraw/zinc/69/61/27/1103696127.db2.gz NRUXPAIHVHBCLO-CALCHBBNSA-N 2 1 310.441 3.319 20 10 DGCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3O)C[C@H]2CC1 ZINC001276373999 1103696131 /nfs/dbraw/zinc/69/61/31/1103696131.db2.gz NRUXPAIHVHBCLO-CALCHBBNSA-N 2 1 310.441 3.319 20 10 DGCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@H]2CC1 ZINC001276373999 1103696137 /nfs/dbraw/zinc/69/61/37/1103696137.db2.gz NRUXPAIHVHBCLO-CALCHBBNSA-N 2 1 310.441 3.319 20 10 DGCDMP Oc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001275267793 1104697995 /nfs/dbraw/zinc/69/79/95/1104697995.db2.gz WYGOVKACBGJZJA-CALCHBBNSA-N 2 1 314.473 3.479 20 10 DGCDMP Oc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275267793 1104698002 /nfs/dbraw/zinc/69/80/02/1104698002.db2.gz WYGOVKACBGJZJA-CALCHBBNSA-N 2 1 314.473 3.479 20 10 DGCDMP Oc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001275267793 1104698008 /nfs/dbraw/zinc/69/80/08/1104698008.db2.gz WYGOVKACBGJZJA-CALCHBBNSA-N 2 1 314.473 3.479 20 10 DGCDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1c(O)ccc3ccccc31)C2 ZINC001276078499 1105009529 /nfs/dbraw/zinc/00/95/29/1105009529.db2.gz QGIFDNFGHBZJOQ-HXUWFJFHSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001276078499 1105009534 /nfs/dbraw/zinc/00/95/34/1105009534.db2.gz QGIFDNFGHBZJOQ-HXUWFJFHSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001276078499 1105009540 /nfs/dbraw/zinc/00/95/40/1105009540.db2.gz QGIFDNFGHBZJOQ-HXUWFJFHSA-N 2 1 310.441 3.463 20 10 DGCDMP CC(C)C[NH+]1CCC([N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001258016563 1106658252 /nfs/dbraw/zinc/65/82/52/1106658252.db2.gz ABVFAEWSMIPUIL-UHFFFAOYSA-N 2 1 303.494 3.305 20 10 DGCDMP [NH3+]C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC001261370939 1107420755 /nfs/dbraw/zinc/42/07/55/1107420755.db2.gz ZFIVEHNTPPNZCB-LJQANCHMSA-N 2 1 301.478 3.284 20 10 DGCDMP C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001319705207 1108600795 /nfs/dbraw/zinc/60/07/95/1108600795.db2.gz GOJOLVMCFUEADB-MRXNPFEDSA-N 2 1 319.468 3.200 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001319705207 1108600799 /nfs/dbraw/zinc/60/07/99/1108600799.db2.gz GOJOLVMCFUEADB-MRXNPFEDSA-N 2 1 319.468 3.200 20 10 DGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001319717062 1108607742 /nfs/dbraw/zinc/60/77/42/1108607742.db2.gz KGKAYNOIMZDCOT-YLJYHZDGSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001319717062 1108607747 /nfs/dbraw/zinc/60/77/47/1108607747.db2.gz KGKAYNOIMZDCOT-YLJYHZDGSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001319717062 1108607751 /nfs/dbraw/zinc/60/77/51/1108607751.db2.gz KGKAYNOIMZDCOT-YLJYHZDGSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001308547650 1111440796 /nfs/dbraw/zinc/44/07/96/1111440796.db2.gz BYXDQZLCHVVACS-CRAIPNDOSA-N 2 1 317.452 3.022 20 10 DGCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000134165253 432074805 /nfs/dbraw/zinc/07/48/05/432074805.db2.gz BLLBSNAYVKVWHJ-UHFFFAOYSA-N 2 1 320.477 3.345 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[NH+]1CCC(n2ccnc2)CC1 ZINC000191284865 432245925 /nfs/dbraw/zinc/24/59/25/432245925.db2.gz FSPSXZOLZDEFBR-UHFFFAOYSA-N 2 1 309.772 3.218 20 10 DGCDMP CCOc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000093683567 431916770 /nfs/dbraw/zinc/91/67/70/431916770.db2.gz IQMUSDSWOFYZLF-MRXNPFEDSA-N 2 1 318.461 3.099 20 10 DGCDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093770025 431916786 /nfs/dbraw/zinc/91/67/86/431916786.db2.gz KFZZGCWVJMMSDK-IBGZPJMESA-N 2 1 315.505 3.451 20 10 DGCDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093770025 431916787 /nfs/dbraw/zinc/91/67/87/431916787.db2.gz KFZZGCWVJMMSDK-IBGZPJMESA-N 2 1 315.505 3.451 20 10 DGCDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093770025 431916788 /nfs/dbraw/zinc/91/67/88/431916788.db2.gz KFZZGCWVJMMSDK-IBGZPJMESA-N 2 1 315.505 3.451 20 10 DGCDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000185008704 432455855 /nfs/dbraw/zinc/45/58/55/432455855.db2.gz NWSRJKDGIGHPDV-HNNXBMFYSA-N 2 1 316.445 3.164 20 10 DGCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000186142528 432562158 /nfs/dbraw/zinc/56/21/58/432562158.db2.gz IZIKNLMRWCXNOZ-JKSUJKDBSA-N 2 1 320.477 3.419 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(O)c1 ZINC000277625337 432864974 /nfs/dbraw/zinc/86/49/74/432864974.db2.gz XIPOIFMBVCJDFH-MRXNPFEDSA-N 2 1 306.450 3.097 20 10 DGCDMP CC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(N(C)C)cc1 ZINC000278913160 432916601 /nfs/dbraw/zinc/91/66/01/432916601.db2.gz GZYALINIOSFROP-QAPCUYQASA-N 2 1 312.461 3.252 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(O)c1 ZINC000293661034 433821989 /nfs/dbraw/zinc/82/19/89/433821989.db2.gz NXPACNWRBZZWOI-IBGZPJMESA-N 2 1 318.461 3.099 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(O)c1 ZINC000293661034 433822000 /nfs/dbraw/zinc/82/20/00/433822000.db2.gz NXPACNWRBZZWOI-IBGZPJMESA-N 2 1 318.461 3.099 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(O)c1 ZINC000293661034 433822011 /nfs/dbraw/zinc/82/20/11/433822011.db2.gz NXPACNWRBZZWOI-IBGZPJMESA-N 2 1 318.461 3.099 20 10 DGCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000556877847 435035586 /nfs/dbraw/zinc/03/55/86/435035586.db2.gz MRHVJSUCSNTFAD-KZNAEPCWSA-N 2 1 311.473 3.449 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(O)c1 ZINC000156096244 520352325 /nfs/dbraw/zinc/35/23/25/520352325.db2.gz AKBBALXAMRFFSH-QAPCUYQASA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(O)c1 ZINC000156096244 520352329 /nfs/dbraw/zinc/35/23/29/520352329.db2.gz AKBBALXAMRFFSH-QAPCUYQASA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(O)c1 ZINC000156096244 520352333 /nfs/dbraw/zinc/35/23/33/520352333.db2.gz AKBBALXAMRFFSH-QAPCUYQASA-N 2 1 318.461 3.097 20 10 DGCDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)CCC3)C1 ZINC000746381330 575449010 /nfs/dbraw/zinc/44/90/10/575449010.db2.gz HPEUWCXYWBMMGF-INIZCTEOSA-N 2 1 314.473 3.045 20 10 DGCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000746381330 575449014 /nfs/dbraw/zinc/44/90/14/575449014.db2.gz HPEUWCXYWBMMGF-INIZCTEOSA-N 2 1 314.473 3.045 20 10 DGCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000746381330 575449017 /nfs/dbraw/zinc/44/90/17/575449017.db2.gz HPEUWCXYWBMMGF-INIZCTEOSA-N 2 1 314.473 3.045 20 10 DGCDMP Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000853240602 620680965 /nfs/dbraw/zinc/68/09/65/620680965.db2.gz OWJMWKLOHPFNQG-RDJZCZTQSA-N 2 1 300.446 3.091 20 10 DGCDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893967139 618684458 /nfs/dbraw/zinc/68/44/58/618684458.db2.gz IYPALPWQUIBXEW-UHFFFAOYSA-N 2 1 312.404 3.223 20 10 DGCDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893967139 618684460 /nfs/dbraw/zinc/68/44/60/618684460.db2.gz IYPALPWQUIBXEW-UHFFFAOYSA-N 2 1 312.404 3.223 20 10 DGCDMP COc1ccc(O)c(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000895682521 618818382 /nfs/dbraw/zinc/81/83/82/618818382.db2.gz GPUWCDKPISNNDU-UHFFFAOYSA-N 2 1 306.450 3.099 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000903873676 619827340 /nfs/dbraw/zinc/82/73/40/619827340.db2.gz KBEXYEADTIWZLW-UHFFFAOYSA-N 2 1 309.457 3.030 20 10 DGCDMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000858490662 621197626 /nfs/dbraw/zinc/19/76/26/621197626.db2.gz LKSKNMYGRZHIGH-IPYPFGDCSA-N 2 1 306.425 3.401 20 10 DGCDMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000858490663 621197629 /nfs/dbraw/zinc/19/76/29/621197629.db2.gz LKSKNMYGRZHIGH-NFAWXSAZSA-N 2 1 306.425 3.401 20 10 DGCDMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2c1c(F)ccc2O ZINC000756368886 621632010 /nfs/dbraw/zinc/63/20/10/621632010.db2.gz RJZKQXXINGVUTA-NHYWBVRUSA-N 2 1 304.409 3.296 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)cc1 ZINC000759846396 621895831 /nfs/dbraw/zinc/89/58/31/621895831.db2.gz UCUMPRZESRGLQU-SFHVURJKSA-N 2 1 301.478 3.201 20 10 DGCDMP CN(C)c1ccc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)C2CC2)cc1 ZINC000759846396 621895833 /nfs/dbraw/zinc/89/58/33/621895833.db2.gz UCUMPRZESRGLQU-SFHVURJKSA-N 2 1 301.478 3.201 20 10 DGCDMP CN(C)c1ccc(C[NH+](CC[C@@H]2CCC[N@H+]2C)C2CC2)cc1 ZINC000759846396 621895835 /nfs/dbraw/zinc/89/58/35/621895835.db2.gz UCUMPRZESRGLQU-SFHVURJKSA-N 2 1 301.478 3.201 20 10 DGCDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469635 622530770 /nfs/dbraw/zinc/53/07/70/622530770.db2.gz BWQKSDHFBSWOHL-ZBFHGGJFSA-N 2 1 307.457 3.196 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469635 622530772 /nfs/dbraw/zinc/53/07/72/622530772.db2.gz BWQKSDHFBSWOHL-ZBFHGGJFSA-N 2 1 307.457 3.196 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469635 622530775 /nfs/dbraw/zinc/53/07/75/622530775.db2.gz BWQKSDHFBSWOHL-ZBFHGGJFSA-N 2 1 307.457 3.196 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469635 622530777 /nfs/dbraw/zinc/53/07/77/622530777.db2.gz BWQKSDHFBSWOHL-ZBFHGGJFSA-N 2 1 307.457 3.196 20 10 DGCDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000769516922 622537360 /nfs/dbraw/zinc/53/73/60/622537360.db2.gz UWIKJASKZZIUJY-CQSZACIVSA-N 2 1 308.853 3.209 20 10 DGCDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c(O)cccc2Cl)C1 ZINC000769516922 622537365 /nfs/dbraw/zinc/53/73/65/622537365.db2.gz UWIKJASKZZIUJY-CQSZACIVSA-N 2 1 308.853 3.209 20 10 DGCDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000769516922 622537366 /nfs/dbraw/zinc/53/73/66/622537366.db2.gz UWIKJASKZZIUJY-CQSZACIVSA-N 2 1 308.853 3.209 20 10 DGCDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000769516922 622537369 /nfs/dbraw/zinc/53/73/69/622537369.db2.gz UWIKJASKZZIUJY-CQSZACIVSA-N 2 1 308.853 3.209 20 10 DGCDMP CCCOc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1C ZINC000873016745 623017779 /nfs/dbraw/zinc/01/77/79/623017779.db2.gz QUSJBFJYFZNDFN-UHFFFAOYSA-N 2 1 301.434 3.469 20 10 DGCDMP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000873268827 623098504 /nfs/dbraw/zinc/09/85/04/623098504.db2.gz HVPZSPLCWYOGNR-GHMZBOCLSA-N 2 1 316.367 3.450 20 10 DGCDMP C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C1CC[NH2+]CC1 ZINC000873268828 623098623 /nfs/dbraw/zinc/09/86/23/623098623.db2.gz HVPZSPLCWYOGNR-MNOVXSKESA-N 2 1 316.367 3.450 20 10 DGCDMP CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775708879 623317078 /nfs/dbraw/zinc/31/70/78/623317078.db2.gz PIJJXCCBOLAPTF-WMZOPIPTSA-N 2 1 301.478 3.059 20 10 DGCDMP CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775708874 623317508 /nfs/dbraw/zinc/31/75/08/623317508.db2.gz PIJJXCCBOLAPTF-FUHWJXTLSA-N 2 1 301.478 3.059 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000777469900 623529427 /nfs/dbraw/zinc/52/94/27/623529427.db2.gz PHYQCCFWWSNBLX-APWZRJJASA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000777469900 623529429 /nfs/dbraw/zinc/52/94/29/623529429.db2.gz PHYQCCFWWSNBLX-APWZRJJASA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000777469900 623529433 /nfs/dbraw/zinc/52/94/33/623529433.db2.gz PHYQCCFWWSNBLX-APWZRJJASA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000777469900 623529435 /nfs/dbraw/zinc/52/94/35/623529435.db2.gz PHYQCCFWWSNBLX-APWZRJJASA-N 2 1 303.494 3.305 20 10 DGCDMP Cc1cccc(O)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000876810523 623711926 /nfs/dbraw/zinc/71/19/26/623711926.db2.gz ANJPUINYTUSPRM-YJBOKZPZSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1cccc(O)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000876810523 623711929 /nfs/dbraw/zinc/71/19/29/623711929.db2.gz ANJPUINYTUSPRM-YJBOKZPZSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1cccc(O)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000876810523 623711934 /nfs/dbraw/zinc/71/19/34/623711934.db2.gz ANJPUINYTUSPRM-YJBOKZPZSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(O)c1 ZINC000877190147 623822827 /nfs/dbraw/zinc/82/28/27/623822827.db2.gz XIOSAQSYPRZERD-DOTOQJQBSA-N 2 1 302.462 3.443 20 10 DGCDMP COc1ccc(O)c(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC000877767558 624028796 /nfs/dbraw/zinc/02/87/96/624028796.db2.gz NJEGALPAAHTWNG-UHFFFAOYSA-N 2 1 320.477 3.201 20 10 DGCDMP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000884474904 626886324 /nfs/dbraw/zinc/88/63/24/626886324.db2.gz PWGPIHFJMFJZIF-UHFFFAOYSA-N 2 1 318.461 3.160 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000809755583 626947688 /nfs/dbraw/zinc/94/76/88/626947688.db2.gz LUDAATLAWSKXET-QGZVFWFLSA-N 2 1 319.468 3.055 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1F ZINC000809766500 626949409 /nfs/dbraw/zinc/94/94/09/626949409.db2.gz ZHYCBLLMVJZXTL-CRAIPNDOSA-N 2 1 321.484 3.444 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1F ZINC000809766500 626949411 /nfs/dbraw/zinc/94/94/11/626949411.db2.gz ZHYCBLLMVJZXTL-CRAIPNDOSA-N 2 1 321.484 3.444 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1F ZINC000809766500 626949415 /nfs/dbraw/zinc/94/94/15/626949415.db2.gz ZHYCBLLMVJZXTL-CRAIPNDOSA-N 2 1 321.484 3.444 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000809766500 626949417 /nfs/dbraw/zinc/94/94/17/626949417.db2.gz ZHYCBLLMVJZXTL-CRAIPNDOSA-N 2 1 321.484 3.444 20 10 DGCDMP Cc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1N(C)C ZINC000815056031 627619950 /nfs/dbraw/zinc/61/99/50/627619950.db2.gz YWJPGRKYZVFEPA-IBGZPJMESA-N 2 1 315.505 3.225 20 10 DGCDMP Cc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1N(C)C ZINC000815056031 627619951 /nfs/dbraw/zinc/61/99/51/627619951.db2.gz YWJPGRKYZVFEPA-IBGZPJMESA-N 2 1 315.505 3.225 20 10 DGCDMP Cc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1N(C)C ZINC000815056031 627619952 /nfs/dbraw/zinc/61/99/52/627619952.db2.gz YWJPGRKYZVFEPA-IBGZPJMESA-N 2 1 315.505 3.225 20 10 DGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815057577 627620726 /nfs/dbraw/zinc/62/07/26/627620726.db2.gz UOPHLLSBOLXJAF-UHFFFAOYSA-N 2 1 303.494 3.367 20 10 DGCDMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816583478 627811439 /nfs/dbraw/zinc/81/14/39/627811439.db2.gz LRNUEVAJNGIHII-UHFFFAOYSA-N 2 1 312.816 3.245 20 10 DGCDMP C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000817957255 627974242 /nfs/dbraw/zinc/97/42/42/627974242.db2.gz KEGYKEIEVKDNGW-YLJYHZDGSA-N 2 1 323.484 3.312 20 10 DGCDMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817964593 627977115 /nfs/dbraw/zinc/97/71/15/627977115.db2.gz FNHQOAHHWDGMKF-AWEZNQCLSA-N 2 1 305.441 3.348 20 10 DGCDMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817965613 627977703 /nfs/dbraw/zinc/97/77/03/627977703.db2.gz SCYGDSOZGTYXLM-GUYCJALGSA-N 2 1 305.441 3.204 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827949764 629007132 /nfs/dbraw/zinc/00/71/32/629007132.db2.gz NSDBDBNFYNAFEO-GOSISDBHSA-N 2 1 315.505 3.273 20 10 DGCDMP CCc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000827951104 629007149 /nfs/dbraw/zinc/00/71/49/629007149.db2.gz WLLSHAROKCGFMC-MRXNPFEDSA-N 2 1 302.462 3.166 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000835026072 629827656 /nfs/dbraw/zinc/82/76/56/629827656.db2.gz PEFSTINFGKLVHO-SFFCAUCYSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000835026072 629827658 /nfs/dbraw/zinc/82/76/58/629827658.db2.gz PEFSTINFGKLVHO-SFFCAUCYSA-N 2 1 313.489 3.184 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835026112 629828160 /nfs/dbraw/zinc/82/81/60/629828160.db2.gz QMDXNSFXYFLSPS-DZCMZPKPSA-N 2 1 315.505 3.428 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835026112 629828164 /nfs/dbraw/zinc/82/81/64/629828164.db2.gz QMDXNSFXYFLSPS-DZCMZPKPSA-N 2 1 315.505 3.428 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000835026112 629828166 /nfs/dbraw/zinc/82/81/66/629828166.db2.gz QMDXNSFXYFLSPS-DZCMZPKPSA-N 2 1 315.505 3.428 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000835055622 629839936 /nfs/dbraw/zinc/83/99/36/629839936.db2.gz LVVDZWJBCMFFPT-PEAOBZDDSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000835055622 629839937 /nfs/dbraw/zinc/83/99/37/629839937.db2.gz LVVDZWJBCMFFPT-PEAOBZDDSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000835055622 629839939 /nfs/dbraw/zinc/83/99/39/629839939.db2.gz LVVDZWJBCMFFPT-PEAOBZDDSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000835055622 629839940 /nfs/dbraw/zinc/83/99/40/629839940.db2.gz LVVDZWJBCMFFPT-PEAOBZDDSA-N 2 1 313.489 3.184 20 10 DGCDMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000840811206 630361519 /nfs/dbraw/zinc/36/15/19/630361519.db2.gz ZOPXSFSWUFGXLH-UMVBOHGHSA-N 2 1 306.425 3.401 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000840932382 630380179 /nfs/dbraw/zinc/38/01/79/630380179.db2.gz PXGHSDVMIUPFNL-KRWDZBQOSA-N 2 1 303.494 3.271 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000840942568 630382024 /nfs/dbraw/zinc/38/20/24/630382024.db2.gz HFQYUYVAMHYPGG-UHFFFAOYSA-N 2 1 315.505 3.369 20 10 DGCDMP CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000841081719 630405478 /nfs/dbraw/zinc/40/54/78/630405478.db2.gz XMIPMHKKSGXHNK-AERCQKQUSA-N 2 1 321.468 3.021 20 10 DGCDMP Cc1cc(Br)c(O)c(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000841081477 630405484 /nfs/dbraw/zinc/40/54/84/630405484.db2.gz WMFJVGPQGFUOCM-LLVKDONJSA-N 2 1 315.255 3.070 20 10 DGCDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843051925 630608660 /nfs/dbraw/zinc/60/86/60/630608660.db2.gz MWBSZPGJMBJSAD-WMZOPIPTSA-N 2 1 301.478 3.236 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000843059923 630610124 /nfs/dbraw/zinc/61/01/24/630610124.db2.gz USRHHCHMNYRGSA-GOSISDBHSA-N 2 1 301.478 3.108 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000843112647 630615096 /nfs/dbraw/zinc/61/50/96/630615096.db2.gz KHNWYVMKXDSBNA-HNNXBMFYSA-N 2 1 307.457 3.233 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000843125730 630616201 /nfs/dbraw/zinc/61/62/01/630616201.db2.gz GKKMLMPQVDXSSV-OALUTQOASA-N 2 1 315.505 3.354 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1O ZINC000843125243 630616211 /nfs/dbraw/zinc/61/62/11/630616211.db2.gz OXOOBJMCVOLCEY-KGLIPLIRSA-N 2 1 308.853 3.176 20 10 DGCDMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(O)c1 ZINC000843127922 630616929 /nfs/dbraw/zinc/61/69/29/630616929.db2.gz UPWILJXLWVHZHM-HZPDHXFCSA-N 2 1 318.461 3.003 20 10 DGCDMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1cc(F)cc(F)c1O ZINC000844925842 630988026 /nfs/dbraw/zinc/98/80/26/630988026.db2.gz VPXQLCADGKEAHC-VIFPVBQESA-N 2 1 310.319 3.119 20 10 DGCDMP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000846155977 631212487 /nfs/dbraw/zinc/21/24/87/631212487.db2.gz JLEDUOVQPXTYOO-HOTGVXAUSA-N 2 1 320.477 3.419 20 10 DGCDMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1O ZINC000848559718 631693009 /nfs/dbraw/zinc/69/30/09/631693009.db2.gz YFQJHSAHRNCQMT-UTUOFQBUSA-N 2 1 316.367 3.402 20 10 DGCDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc2c(cc1O)CCCC2 ZINC000185404135 660221552 /nfs/dbraw/zinc/22/15/52/660221552.db2.gz IHJHDYDQWAYAPQ-GJZGRUSLSA-N 2 1 302.462 3.263 20 10 DGCDMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000793246508 661017177 /nfs/dbraw/zinc/01/71/77/661017177.db2.gz JXUDCWDMLTUINE-BGYRXZFFSA-N 2 1 322.452 3.264 20 10 DGCDMP Cc1ccc(O)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000793246508 661017179 /nfs/dbraw/zinc/01/71/79/661017179.db2.gz JXUDCWDMLTUINE-BGYRXZFFSA-N 2 1 322.452 3.264 20 10 DGCDMP Cc1ccc(O)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000793246508 661017181 /nfs/dbraw/zinc/01/71/81/661017181.db2.gz JXUDCWDMLTUINE-BGYRXZFFSA-N 2 1 322.452 3.264 20 10 DGCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3O)CCCC4)CC[C@@H]21 ZINC000160434298 655632678 /nfs/dbraw/zinc/63/26/78/655632678.db2.gz WSYMHDFXUPCKEP-HKUYNNGSSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CC[C@@H]21 ZINC000160434298 655632679 /nfs/dbraw/zinc/63/26/79/655632679.db2.gz WSYMHDFXUPCKEP-HKUYNNGSSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4c(cc3O)CCCC4)CC[C@@H]21 ZINC000160434298 655632680 /nfs/dbraw/zinc/63/26/80/655632680.db2.gz WSYMHDFXUPCKEP-HKUYNNGSSA-N 2 1 314.473 3.187 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000236676801 656113626 /nfs/dbraw/zinc/11/36/26/656113626.db2.gz LTISOUGZWPHBQU-UXHICEINSA-N 2 1 313.489 3.393 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000236676801 656113630 /nfs/dbraw/zinc/11/36/30/656113630.db2.gz LTISOUGZWPHBQU-UXHICEINSA-N 2 1 313.489 3.393 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253910 662329186 /nfs/dbraw/zinc/32/91/86/662329186.db2.gz YBYOAUOXGSWUAM-SFHVURJKSA-N 2 1 303.494 3.306 20 10 DGCDMP [NH3+]CC[N@H+](CCc1ccccc1)Cc1ccc(N2CCCC2)cc1 ZINC001332358318 1178427038 /nfs/dbraw/zinc/42/70/38/1178427038.db2.gz HEHVOVUBBSFJRY-UHFFFAOYSA-N 2 1 323.484 3.290 20 10 DGCDMP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1ccc(N2CCCC2)cc1 ZINC001332358318 1178427041 /nfs/dbraw/zinc/42/70/41/1178427041.db2.gz HEHVOVUBBSFJRY-UHFFFAOYSA-N 2 1 323.484 3.290 20 10 DGCDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]2C1 ZINC001352114251 1180299413 /nfs/dbraw/zinc/29/94/13/1180299413.db2.gz ZKNRPPKWHDEAAS-DVOMOZLQSA-N 2 1 308.853 3.208 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001462662583 1182982261 /nfs/dbraw/zinc/98/22/61/1182982261.db2.gz FGDYKJHRIJOBBD-UHFFFAOYSA-N 2 1 303.494 3.414 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC001474741340 1183971440 /nfs/dbraw/zinc/97/14/40/1183971440.db2.gz UDVAZVXOBURLFQ-HJWRWDBZSA-N 2 1 303.494 3.285 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC001474741340 1183971442 /nfs/dbraw/zinc/97/14/42/1183971442.db2.gz UDVAZVXOBURLFQ-HJWRWDBZSA-N 2 1 303.494 3.285 20 10 DGCDMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(N4CCCCC4)cc3)[C@H]2C1 ZINC001621108434 1193804008 /nfs/dbraw/zinc/80/40/08/1193804008.db2.gz OVMKARWJIQQMTL-YSIASYRMSA-N 2 1 313.489 3.107 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC3(C)C)cc2F)CC1 ZINC001650640790 1195368205 /nfs/dbraw/zinc/36/82/05/1195368205.db2.gz PEDXMSNGGNDMJB-SFHVURJKSA-N 2 1 319.468 3.246 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001653025843 1195681795 /nfs/dbraw/zinc/68/17/95/1195681795.db2.gz OPDAPPGVIXJKRK-QGZVFWFLSA-N 2 1 324.472 3.167 20 10 DGCDMP C[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001656750116 1196068242 /nfs/dbraw/zinc/06/82/42/1196068242.db2.gz QULPYMKFYAZALE-RDJZCZTQSA-N 2 1 319.468 3.246 20 10 DGCDMP CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC001658028667 1196203920 /nfs/dbraw/zinc/20/39/20/1196203920.db2.gz YTDSFGCHOOQTFO-SJLPKXTDSA-N 2 1 302.462 3.432 20 10 DGCDMP CC(C)c1ccc(O)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC001658028667 1196203923 /nfs/dbraw/zinc/20/39/23/1196203923.db2.gz YTDSFGCHOOQTFO-SJLPKXTDSA-N 2 1 302.462 3.432 20 10 DGCDMP CC(C)c1ccc(O)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC001658028667 1196203925 /nfs/dbraw/zinc/20/39/25/1196203925.db2.gz YTDSFGCHOOQTFO-SJLPKXTDSA-N 2 1 302.462 3.432 20 10 DGCDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1O ZINC001167968186 1085894853 /nfs/dbraw/zinc/89/48/53/1085894853.db2.gz NTXCPFOFBKEIIC-HZTRTUMWSA-N 2 1 300.446 3.448 20 10 DGCDMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1C ZINC001167974275 1085914331 /nfs/dbraw/zinc/91/43/31/1085914331.db2.gz TYXBHMYALLZIRS-YQQQUEKLSA-N 2 1 314.473 3.499 20 10 DGCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCCC[C@H](C[NH3+])C3)ccc2O1 ZINC001206649829 1088352188 /nfs/dbraw/zinc/35/21/88/1088352188.db2.gz ZQVHKOOORKTEBA-CQSZACIVSA-N 2 1 316.445 3.137 20 10 DGCDMP Oc1ccccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203560830 1090756483 /nfs/dbraw/zinc/75/64/83/1090756483.db2.gz HDZOMLYEMDZSAV-AZUAARDMSA-N 2 1 322.452 3.346 20 10 DGCDMP Oc1ccccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001203560830 1090756489 /nfs/dbraw/zinc/75/64/89/1090756489.db2.gz HDZOMLYEMDZSAV-AZUAARDMSA-N 2 1 322.452 3.346 20 10 DGCDMP Oc1ccccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001203560830 1090756494 /nfs/dbraw/zinc/75/64/94/1090756494.db2.gz HDZOMLYEMDZSAV-AZUAARDMSA-N 2 1 322.452 3.346 20 10 DGCDMP COc1ccc(O)c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001203674881 1090777666 /nfs/dbraw/zinc/77/76/66/1090777666.db2.gz FCEBLVJJKHXHAQ-KRWDZBQOSA-N 2 1 318.461 3.241 20 10 DGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204328309 1090950555 /nfs/dbraw/zinc/95/05/55/1090950555.db2.gz GRYHNDQUJVSPRV-UHFFFAOYSA-N 2 1 303.494 3.451 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C[C@H]1C[NH3+] ZINC001205151656 1091113853 /nfs/dbraw/zinc/11/38/53/1091113853.db2.gz XXWAIIPMXVLQLT-SUMWQHHRSA-N 2 1 314.404 3.225 20 10 DGCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c4ccccc4n(C)c3C)C[C@@H]2C1 ZINC001138259278 1091128290 /nfs/dbraw/zinc/12/82/90/1091128290.db2.gz DMYFYJUULRSFKX-CALCHBBNSA-N 2 1 311.473 3.260 20 10 DGCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[C@](C)([NH3+])CC3)ccc2O1 ZINC001205296892 1091171248 /nfs/dbraw/zinc/17/12/48/1091171248.db2.gz WCKUOWCDMXRIFL-IBGZPJMESA-N 2 1 316.445 3.280 20 10 DGCDMP Cc1c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c2ccccc2n1C ZINC001205559443 1091252792 /nfs/dbraw/zinc/25/27/92/1091252792.db2.gz QYDFVDQENNRLPY-GOSISDBHSA-N 2 1 303.425 3.140 20 10 DGCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC001205570156 1091260591 /nfs/dbraw/zinc/26/05/91/1091260591.db2.gz GKLZJGZSFFLTSR-GOSISDBHSA-N 2 1 302.393 3.198 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)c(O)c1 ZINC001205788156 1091347309 /nfs/dbraw/zinc/34/73/09/1091347309.db2.gz MXMYOJCUPCDTKV-AWEZNQCLSA-N 2 1 312.404 3.106 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@H]1C[NH3+] ZINC001206012508 1091449586 /nfs/dbraw/zinc/44/95/86/1091449586.db2.gz MAFGOEPVORPYPQ-CABCVRRESA-N 2 1 304.478 3.497 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CCC[C@H]1C[NH3+] ZINC001206026838 1091456942 /nfs/dbraw/zinc/45/69/42/1091456942.db2.gz UIDLYTIBRZSFHV-NEPJUHHUSA-N 2 1 316.367 3.218 20 10 DGCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CCCCC1 ZINC001139412736 1091551709 /nfs/dbraw/zinc/55/17/09/1091551709.db2.gz LUSBIOBHBIUVAZ-UHFFFAOYSA-N 2 1 315.505 3.451 20 10 DGCDMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001206370188 1091603328 /nfs/dbraw/zinc/60/33/28/1091603328.db2.gz LRTLMZVJNGABQG-GOSISDBHSA-N 2 1 302.393 3.198 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC001140300454 1091818064 /nfs/dbraw/zinc/81/80/64/1091818064.db2.gz QAJHTTRYOPPHEK-QGZVFWFLSA-N 2 1 301.478 3.060 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC001140300427 1091818389 /nfs/dbraw/zinc/81/83/89/1091818389.db2.gz PHYVSRWKQBYTGH-QGZVFWFLSA-N 2 1 301.478 3.203 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](F)CC3)cc2)CC1 ZINC001140302512 1091820459 /nfs/dbraw/zinc/82/04/59/1091820459.db2.gz SRTPOCZSNSHETP-GOSISDBHSA-N 2 1 319.468 3.153 20 10 DGCDMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140468337 1091878394 /nfs/dbraw/zinc/87/83/94/1091878394.db2.gz GOYYBTJGWFXHMN-OAHLLOKOSA-N 2 1 318.804 3.402 20 10 DGCDMP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001207285900 1091910222 /nfs/dbraw/zinc/91/02/22/1091910222.db2.gz PQWBBOZPHPUARC-UHFFFAOYSA-N 2 1 303.494 3.306 20 10 DGCDMP CC[NH+]1CCC(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001208598976 1092419436 /nfs/dbraw/zinc/41/94/36/1092419436.db2.gz BQEWQOSNMYTQIV-UHFFFAOYSA-N 2 1 315.505 3.451 20 10 DGCDMP CCc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1O ZINC001336888807 1094773762 /nfs/dbraw/zinc/77/37/62/1094773762.db2.gz MKOHYARODVEMEL-JQHSSLGASA-N 2 1 302.462 3.117 20 10 DGCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000316426122 1095172881 /nfs/dbraw/zinc/17/28/81/1095172881.db2.gz BETZFULSCWCIOO-WMZOPIPTSA-N 2 1 301.478 3.249 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(O)c1 ZINC001222155267 1095463156 /nfs/dbraw/zinc/46/31/56/1095463156.db2.gz YZRCFFKVNHHCID-IBGZPJMESA-N 2 1 302.462 3.265 20 10 DGCDMP Oc1ccc(F)cc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167777 1095474601 /nfs/dbraw/zinc/47/46/01/1095474601.db2.gz QWCKVDBDFLYMCY-SFHVURJKSA-N 2 1 306.425 3.277 20 10 DGCDMP Oc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629151 1095700298 /nfs/dbraw/zinc/70/02/98/1095700298.db2.gz CAOBMWSRIOFXPT-PHIMTYICSA-N 2 1 315.244 3.130 20 10 DGCDMP Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629151 1095700313 /nfs/dbraw/zinc/70/03/13/1095700313.db2.gz CAOBMWSRIOFXPT-PHIMTYICSA-N 2 1 315.244 3.130 20 10 DGCDMP C[NH+]1CCC2(CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC001231590460 1097785482 /nfs/dbraw/zinc/78/54/82/1097785482.db2.gz CAEVNLSFVGKRAC-UHFFFAOYSA-N 2 1 310.441 3.463 20 10 DGCDMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c(O)ccc(F)c2F)CC1 ZINC001233334290 1098291631 /nfs/dbraw/zinc/29/16/31/1098291631.db2.gz AQBHDRCPAOFYNL-UHFFFAOYSA-N 2 1 312.404 3.223 20 10 DGCDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c(O)ccc(F)c2F)CC1 ZINC001233334290 1098291637 /nfs/dbraw/zinc/29/16/37/1098291637.db2.gz AQBHDRCPAOFYNL-UHFFFAOYSA-N 2 1 312.404 3.223 20 10 DGCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)c3O)C[C@@H]2C1 ZINC001234998286 1098740982 /nfs/dbraw/zinc/74/09/82/1098740982.db2.gz DTOCLMHYDWFBAB-KDURUIRLSA-N 2 1 322.452 3.443 20 10 DGCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3O)C[C@@H]2C1 ZINC001234998286 1098740988 /nfs/dbraw/zinc/74/09/88/1098740988.db2.gz DTOCLMHYDWFBAB-KDURUIRLSA-N 2 1 322.452 3.443 20 10 DGCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3O)C[C@@H]2C1 ZINC001234998286 1098740993 /nfs/dbraw/zinc/74/09/93/1098740993.db2.gz DTOCLMHYDWFBAB-KDURUIRLSA-N 2 1 322.452 3.443 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c(O)c1 ZINC001235405917 1099002607 /nfs/dbraw/zinc/00/26/07/1099002607.db2.gz POTZZHBJIAWTES-PKOBYXMFSA-N 2 1 320.452 3.213 20 10 DGCDMP Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432906 1099031135 /nfs/dbraw/zinc/03/11/35/1099031135.db2.gz ZILYUHLFPOIYSI-KGLIPLIRSA-N 2 1 308.853 3.257 20 10 DGCDMP COCCC[N@H+](Cc1ccc(C(C)C)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235807936 1099189909 /nfs/dbraw/zinc/18/99/09/1099189909.db2.gz ABAFXHQJMTWAMV-SFHVURJKSA-N 2 1 320.477 3.106 20 10 DGCDMP COCCC[N@@H+](Cc1ccc(C(C)C)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235807936 1099189912 /nfs/dbraw/zinc/18/99/12/1099189912.db2.gz ABAFXHQJMTWAMV-SFHVURJKSA-N 2 1 320.477 3.106 20 10 DGCDMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001235928546 1099264596 /nfs/dbraw/zinc/26/45/96/1099264596.db2.gz AGXYRZQOCFUJAN-PKOBYXMFSA-N 2 1 309.457 3.135 20 10 DGCDMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc(-c3ccccc3)c1O)C2 ZINC001235960788 1099294332 /nfs/dbraw/zinc/29/43/32/1099294332.db2.gz ZOAKSXCHPAFHKK-HGKCTWBKSA-N 2 1 308.425 3.228 20 10 DGCDMP Cc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1O ZINC001236374488 1099559471 /nfs/dbraw/zinc/55/94/71/1099559471.db2.gz DBQHAXRYOFRJNB-MRXNPFEDSA-N 2 1 302.462 3.445 20 10 DGCDMP CCC[N@H+](Cc1cc(C(F)(F)F)ccc1O)C[C@@H]1CC[NH2+]C1 ZINC001236843777 1099827962 /nfs/dbraw/zinc/82/79/62/1099827962.db2.gz QXHOLPNYKQGZRP-GFCCVEGCSA-N 2 1 316.367 3.233 20 10 DGCDMP CCC(CC)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236942824 1099882244 /nfs/dbraw/zinc/88/22/44/1099882244.db2.gz NKTVMRIEMVMCIM-UHFFFAOYSA-N 2 1 307.457 3.198 20 10 DGCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C[C@H]1CC1(C)C ZINC001236943021 1099885255 /nfs/dbraw/zinc/88/52/55/1099885255.db2.gz PANKBJXUUYUJNU-MRXNPFEDSA-N 2 1 319.468 3.055 20 10 DGCDMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)CC1 ZINC001237622111 1100191615 /nfs/dbraw/zinc/19/16/15/1100191615.db2.gz MSBPZNFRRGDUTB-UHFFFAOYSA-N 2 1 312.816 3.102 20 10 DGCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@H]1CC[NH3+] ZINC001326465724 1103328762 /nfs/dbraw/zinc/32/87/62/1103328762.db2.gz WIIKHYJAHVXZDP-LPHOPBHVSA-N 2 1 301.478 3.236 20 10 DGCDMP Cc1cc(C)c(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(O)c1 ZINC001276365296 1103563197 /nfs/dbraw/zinc/56/31/97/1103563197.db2.gz NICURUHDCJHXIZ-UHFFFAOYSA-N 2 1 302.462 3.317 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1O ZINC001206565982 1103841387 /nfs/dbraw/zinc/84/13/87/1103841387.db2.gz XCTCNNXJFQZGNF-INIZCTEOSA-N 2 1 312.841 3.005 20 10 DGCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001206566136 1103847669 /nfs/dbraw/zinc/84/76/69/1103847669.db2.gz XOOXVERMGWWXTQ-HNNXBMFYSA-N 2 1 316.367 3.362 20 10 DGCDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001328783369 1104068401 /nfs/dbraw/zinc/06/84/01/1104068401.db2.gz LLNQUIRFHFEFSB-GOSISDBHSA-N 2 1 301.478 3.108 20 10 DGCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246527810 1104580144 /nfs/dbraw/zinc/58/01/44/1104580144.db2.gz VOFKXTAWWKAUMD-KDOFPFPSSA-N 2 1 302.462 3.364 20 10 DGCDMP CCC[C@H](C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320490056 1107024164 /nfs/dbraw/zinc/02/41/64/1107024164.db2.gz JRABPPVGIUCUOS-HNNXBMFYSA-N 2 1 307.457 3.198 20 10 DGCDMP CCC[C@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320490056 1107024178 /nfs/dbraw/zinc/02/41/78/1107024178.db2.gz JRABPPVGIUCUOS-HNNXBMFYSA-N 2 1 307.457 3.198 20 10 DGCDMP C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001321101276 1107249652 /nfs/dbraw/zinc/24/96/52/1107249652.db2.gz QRFLBRLSGNFSFO-CVEARBPZSA-N 2 1 319.468 3.103 20 10 DGCDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186395 1107354974 /nfs/dbraw/zinc/35/49/74/1107354974.db2.gz FWKYBICKVSEDPM-ICSRJNTNSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186395 1107354985 /nfs/dbraw/zinc/35/49/85/1107354985.db2.gz FWKYBICKVSEDPM-ICSRJNTNSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186395 1107354996 /nfs/dbraw/zinc/35/49/96/1107354996.db2.gz FWKYBICKVSEDPM-ICSRJNTNSA-N 2 1 313.489 3.203 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001319711308 1108604516 /nfs/dbraw/zinc/60/45/16/1108604516.db2.gz IKMJJXGNLCMBOG-IBGZPJMESA-N 2 1 313.489 3.205 20 10 DGCDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(COCC)c2)C1 ZINC001308224019 1111400343 /nfs/dbraw/zinc/40/03/43/1111400343.db2.gz CDJIULLMKRFRLE-QGZVFWFLSA-N 2 1 320.477 3.053 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1n1ccnc1 ZINC000091960337 431906736 /nfs/dbraw/zinc/90/67/36/431906736.db2.gz PZHIOQPXSALXDU-WFASDCNBSA-N 2 1 305.809 3.325 20 10 DGCDMP CCOc1ccc(O)c(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000271047559 432320316 /nfs/dbraw/zinc/32/03/16/432320316.db2.gz SDTGHXKDKWSRRR-UHFFFAOYSA-N 2 1 306.450 3.096 20 10 DGCDMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430800 432332231 /nfs/dbraw/zinc/33/22/31/432332231.db2.gz YDUAXUQRACYFKK-DNVCBOLYSA-N 2 1 301.478 3.278 20 10 DGCDMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000192932243 432430504 /nfs/dbraw/zinc/43/05/04/432430504.db2.gz FCPIPKLZFHMWEW-LJQANCHMSA-N 2 1 322.452 3.233 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(O)c1 ZINC000277625336 432865160 /nfs/dbraw/zinc/86/51/60/432865160.db2.gz XIPOIFMBVCJDFH-INIZCTEOSA-N 2 1 306.450 3.097 20 10 DGCDMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C)cc1O ZINC000280233418 433020986 /nfs/dbraw/zinc/02/09/86/433020986.db2.gz VKSXAKOCNDAMPZ-WMZOPIPTSA-N 2 1 320.477 3.242 20 10 DGCDMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373230618 433138459 /nfs/dbraw/zinc/13/84/59/433138459.db2.gz NQUGLRLGNCMCIM-LBPRGKRZSA-N 2 1 305.809 3.159 20 10 DGCDMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC000296118639 434516598 /nfs/dbraw/zinc/51/65/98/434516598.db2.gz ZZISIFJCXOFLKG-ZCTYVAAUSA-N 2 1 301.478 3.419 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1F ZINC000740004806 574917854 /nfs/dbraw/zinc/91/78/54/574917854.db2.gz WRUKIZKUDDLTKO-KRWDZBQOSA-N 2 1 321.484 3.492 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1F ZINC000742385873 574995228 /nfs/dbraw/zinc/99/52/28/574995228.db2.gz ZJQUHXCEACBORD-MAUKXSAKSA-N 2 1 321.484 3.492 20 10 DGCDMP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853239390 620681022 /nfs/dbraw/zinc/68/10/22/620681022.db2.gz GODGBDYLXRZOSR-GDBMZVCRSA-N 2 1 318.461 3.173 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000841041750 619243022 /nfs/dbraw/zinc/24/30/22/619243022.db2.gz ADCIGGQTCNAZMV-BQYQJAHWSA-N 2 1 301.478 3.407 20 10 DGCDMP CC[N@H+](Cc1ccc(N(C)C)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903873433 619827469 /nfs/dbraw/zinc/82/74/69/619827469.db2.gz RHETXDUGYZKDHW-AYHJJNSGSA-N 2 1 301.478 3.105 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1CC[NH3+] ZINC000903977123 619848540 /nfs/dbraw/zinc/84/85/40/619848540.db2.gz JSONJSMODZCVPI-SJLPKXTDSA-N 2 1 301.478 3.094 20 10 DGCDMP CN1CCCc2cc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)ccc21 ZINC000858116008 621154278 /nfs/dbraw/zinc/15/42/78/621154278.db2.gz HYLPOEDJLYBVCO-KRWDZBQOSA-N 2 1 301.478 3.031 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000839182146 621344071 /nfs/dbraw/zinc/34/40/71/621344071.db2.gz LDCNNMVTALGMEH-SFHVURJKSA-N 2 1 303.494 3.354 20 10 DGCDMP COc1cc(C)cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000754740024 621529990 /nfs/dbraw/zinc/52/99/90/621529990.db2.gz FZQMJVXLIBYFGI-MRXNPFEDSA-N 2 1 318.461 3.017 20 10 DGCDMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2c1c(F)ccc2O ZINC000756368890 621631821 /nfs/dbraw/zinc/63/18/21/621631821.db2.gz RJZKQXXINGVUTA-XHDPSFHLSA-N 2 1 304.409 3.296 20 10 DGCDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2c1c(F)ccc2O ZINC000756416031 621636928 /nfs/dbraw/zinc/63/69/28/621636928.db2.gz GIIFYOKAJFILNV-BHPKHCPMSA-N 2 1 304.409 3.296 20 10 DGCDMP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@H]1C(F)(F)F ZINC000863646015 621693439 /nfs/dbraw/zinc/69/34/39/621693439.db2.gz FTUBLRIYCZKJLP-CMPLNLGQSA-N 2 1 322.758 3.005 20 10 DGCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@H]1C(F)(F)F ZINC000863646015 621693442 /nfs/dbraw/zinc/69/34/42/621693442.db2.gz FTUBLRIYCZKJLP-CMPLNLGQSA-N 2 1 322.758 3.005 20 10 DGCDMP C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000757881350 621744861 /nfs/dbraw/zinc/74/48/61/621744861.db2.gz FYSHCGXJGOUGJF-KRWDZBQOSA-N 2 1 324.472 3.026 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1F ZINC000768545748 622463868 /nfs/dbraw/zinc/46/38/68/622463868.db2.gz CJAOUCLAXVYMPV-QGZVFWFLSA-N 2 1 321.484 3.446 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1F ZINC000768545748 622463872 /nfs/dbraw/zinc/46/38/72/622463872.db2.gz CJAOUCLAXVYMPV-QGZVFWFLSA-N 2 1 321.484 3.446 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000768545748 622463875 /nfs/dbraw/zinc/46/38/75/622463875.db2.gz CJAOUCLAXVYMPV-QGZVFWFLSA-N 2 1 321.484 3.446 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000768545748 622463878 /nfs/dbraw/zinc/46/38/78/622463878.db2.gz CJAOUCLAXVYMPV-QGZVFWFLSA-N 2 1 321.484 3.446 20 10 DGCDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000768926007 622485625 /nfs/dbraw/zinc/48/56/25/622485625.db2.gz HRFADJCFYWFTMU-UHFFFAOYSA-N 2 1 303.494 3.305 20 10 DGCDMP CCOc1ccc(O)c(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000769469590 622530541 /nfs/dbraw/zinc/53/05/41/622530541.db2.gz AOIRVRAZZOMTDU-ZBFHGGJFSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(O)c(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000769469590 622530542 /nfs/dbraw/zinc/53/05/42/622530542.db2.gz AOIRVRAZZOMTDU-ZBFHGGJFSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(O)c(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000769469590 622530543 /nfs/dbraw/zinc/53/05/43/622530543.db2.gz AOIRVRAZZOMTDU-ZBFHGGJFSA-N 2 1 306.450 3.096 20 10 DGCDMP CN(C)c1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC000769482945 622532089 /nfs/dbraw/zinc/53/20/89/622532089.db2.gz LSLZIQLOPWTGAU-MRXNPFEDSA-N 2 1 307.457 3.198 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC000769482945 622532090 /nfs/dbraw/zinc/53/20/90/622532090.db2.gz LSLZIQLOPWTGAU-MRXNPFEDSA-N 2 1 307.457 3.198 20 10 DGCDMP CN(C)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000769482945 622532094 /nfs/dbraw/zinc/53/20/94/622532094.db2.gz LSLZIQLOPWTGAU-MRXNPFEDSA-N 2 1 307.457 3.198 20 10 DGCDMP CN(C)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1F ZINC000769482945 622532097 /nfs/dbraw/zinc/53/20/97/622532097.db2.gz LSLZIQLOPWTGAU-MRXNPFEDSA-N 2 1 307.457 3.198 20 10 DGCDMP CCN(C)c1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000773754645 623069181 /nfs/dbraw/zinc/06/91/81/623069181.db2.gz RGIPRRRYHYQFJJ-SFHVURJKSA-N 2 1 303.494 3.449 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000773754645 623069187 /nfs/dbraw/zinc/06/91/87/623069187.db2.gz RGIPRRRYHYQFJJ-SFHVURJKSA-N 2 1 303.494 3.449 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000773754645 623069192 /nfs/dbraw/zinc/06/91/92/623069192.db2.gz RGIPRRRYHYQFJJ-SFHVURJKSA-N 2 1 303.494 3.449 20 10 DGCDMP C[C@H]1CCCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775702085 623316027 /nfs/dbraw/zinc/31/60/27/623316027.db2.gz POPNMWRTSWZMFB-KRWDZBQOSA-N 2 1 301.478 3.203 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1(C)CCCC1 ZINC000787337840 625002685 /nfs/dbraw/zinc/00/26/85/625002685.db2.gz RDXGKARCWUWFNU-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP Oc1ccccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000809703748 626939294 /nfs/dbraw/zinc/93/92/94/626939294.db2.gz PHIZOVJNBBVAOF-NRFANRHFSA-N 2 1 322.452 3.490 20 10 DGCDMP Oc1ccccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000809703748 626939297 /nfs/dbraw/zinc/93/92/97/626939297.db2.gz PHIZOVJNBBVAOF-NRFANRHFSA-N 2 1 322.452 3.490 20 10 DGCDMP Oc1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000809703748 626939299 /nfs/dbraw/zinc/93/92/99/626939299.db2.gz PHIZOVJNBBVAOF-NRFANRHFSA-N 2 1 322.452 3.490 20 10 DGCDMP CC[C@@H](CSC)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809767046 626948763 /nfs/dbraw/zinc/94/87/63/626948763.db2.gz FSJSJKQZYGHCAA-KRWDZBQOSA-N 2 1 321.534 3.012 20 10 DGCDMP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1c(O)cccc1F ZINC000886640348 627178507 /nfs/dbraw/zinc/17/85/07/627178507.db2.gz XGZPIPKMVOGEFW-CYBMUJFWSA-N 2 1 306.425 3.304 20 10 DGCDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611920 627814230 /nfs/dbraw/zinc/81/42/30/627814230.db2.gz AJFHRZIIZQOHTK-NHYWBVRUSA-N 2 1 312.816 3.101 20 10 DGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611920 627814232 /nfs/dbraw/zinc/81/42/32/627814232.db2.gz AJFHRZIIZQOHTK-NHYWBVRUSA-N 2 1 312.816 3.101 20 10 DGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611920 627814234 /nfs/dbraw/zinc/81/42/34/627814234.db2.gz AJFHRZIIZQOHTK-NHYWBVRUSA-N 2 1 312.816 3.101 20 10 DGCDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611919 627814989 /nfs/dbraw/zinc/81/49/89/627814989.db2.gz AJFHRZIIZQOHTK-IAQYHMDHSA-N 2 1 312.816 3.101 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611919 627814991 /nfs/dbraw/zinc/81/49/91/627814991.db2.gz AJFHRZIIZQOHTK-IAQYHMDHSA-N 2 1 312.816 3.101 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611919 627814994 /nfs/dbraw/zinc/81/49/94/627814994.db2.gz AJFHRZIIZQOHTK-IAQYHMDHSA-N 2 1 312.816 3.101 20 10 DGCDMP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817954828 627973636 /nfs/dbraw/zinc/97/36/36/627973636.db2.gz KVMUXBJIKFOINV-WDEREUQCSA-N 2 1 302.340 3.061 20 10 DGCDMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965478 627977647 /nfs/dbraw/zinc/97/76/47/627977647.db2.gz RKRBWKBORRVFBD-HNAYVOBHSA-N 2 1 301.478 3.455 20 10 DGCDMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(Cl)c(Cl)cc1O ZINC000817969235 627978717 /nfs/dbraw/zinc/97/87/17/627978717.db2.gz AAWDAGMUEPNMFB-ZDMBXUJBSA-N 2 1 303.233 3.348 20 10 DGCDMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817969545 627979199 /nfs/dbraw/zinc/97/91/99/627979199.db2.gz WSGMVWNDQCZSCG-MNOVXSKESA-N 2 1 302.340 3.204 20 10 DGCDMP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(Cl)c(Cl)cc1O ZINC000817980646 627982779 /nfs/dbraw/zinc/98/27/79/627982779.db2.gz CTVBCHSPQPVSIL-AEJSXWLSSA-N 2 1 303.233 3.477 20 10 DGCDMP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(F)cc1O ZINC000817983363 627983341 /nfs/dbraw/zinc/98/33/41/627983341.db2.gz ATJQBKSFJTVFNL-JIWOQCETSA-N 2 1 318.436 3.336 20 10 DGCDMP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817985705 627983744 /nfs/dbraw/zinc/98/37/44/627983744.db2.gz MYGBCFPWVZGRRH-NSHDSACASA-N 2 1 314.351 3.371 20 10 DGCDMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1N1CCCCC1 ZINC000827813533 628993690 /nfs/dbraw/zinc/99/36/90/628993690.db2.gz UDPPZQNGDYGSHO-LJQANCHMSA-N 2 1 315.505 3.369 20 10 DGCDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834514651 629719752 /nfs/dbraw/zinc/71/97/52/629719752.db2.gz VNTAHDLHLWMFMZ-UXLLHSPISA-N 2 1 302.462 3.337 20 10 DGCDMP C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000835026369 629827415 /nfs/dbraw/zinc/82/74/15/629827415.db2.gz RYKOAQRJASQUJP-NHBNWDHASA-N 2 1 301.478 3.180 20 10 DGCDMP C[C@@H]1C[C@@H]([NH+](C)C/C=C/c2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000835026369 629827416 /nfs/dbraw/zinc/82/74/16/629827416.db2.gz RYKOAQRJASQUJP-NHBNWDHASA-N 2 1 301.478 3.180 20 10 DGCDMP C[C@@H]1C[C@@H]([N@H+](C)C/C=C/c2ccc(N(C)C)cc2)CC[NH+]1C ZINC000835026369 629827419 /nfs/dbraw/zinc/82/74/19/629827419.db2.gz RYKOAQRJASQUJP-NHBNWDHASA-N 2 1 301.478 3.180 20 10 DGCDMP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccc(N(C)C)cc2)CC[NH+]1C ZINC000835026369 629827422 /nfs/dbraw/zinc/82/74/22/629827422.db2.gz RYKOAQRJASQUJP-NHBNWDHASA-N 2 1 301.478 3.180 20 10 DGCDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835038577 629831023 /nfs/dbraw/zinc/83/10/23/629831023.db2.gz UBTQVEJJWAEVGR-WPGJWXSHSA-N 2 1 315.505 3.476 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840918288 630378016 /nfs/dbraw/zinc/37/80/16/630378016.db2.gz ZEMIRBLZVYMQHG-QGZVFWFLSA-N 2 1 303.494 3.225 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(Cl)c1 ZINC000840920399 630378704 /nfs/dbraw/zinc/37/87/04/630378704.db2.gz GPUNFPSDPNUNJO-BBRMVZONSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000840920399 630378709 /nfs/dbraw/zinc/37/87/09/630378709.db2.gz GPUNFPSDPNUNJO-BBRMVZONSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000840920399 630378711 /nfs/dbraw/zinc/37/87/11/630378711.db2.gz GPUNFPSDPNUNJO-BBRMVZONSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000840949347 630383609 /nfs/dbraw/zinc/38/36/09/630383609.db2.gz WZZPLUPXEAGXQP-IBGZPJMESA-N 2 1 315.505 3.225 20 10 DGCDMP COc1cc(Cl)cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1O ZINC000841039251 630400476 /nfs/dbraw/zinc/40/04/76/630400476.db2.gz HDUDMZCUYDKKSB-AWEZNQCLSA-N 2 1 312.841 3.051 20 10 DGCDMP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000841081840 630405470 /nfs/dbraw/zinc/40/54/70/630405470.db2.gz FPFGAXWMDBJTMX-XYPYZODXSA-N 2 1 300.805 3.039 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000843044010 630607612 /nfs/dbraw/zinc/60/76/12/630607612.db2.gz FYGKEOANWVZRNV-DTRRYIFCSA-N 2 1 313.489 3.230 20 10 DGCDMP CCCN(CCC)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000843051706 630608603 /nfs/dbraw/zinc/60/86/03/630608603.db2.gz KSAYTYBGHVUEKG-LPHOPBHVSA-N 2 1 303.494 3.482 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000843057390 630609506 /nfs/dbraw/zinc/60/95/06/630609506.db2.gz CXGVBKWHQQDRJB-UHOSZYNNSA-N 2 1 301.478 3.092 20 10 DGCDMP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(Cl)c(Cl)cc1O ZINC000844920178 630983038 /nfs/dbraw/zinc/98/30/38/630983038.db2.gz KPWAAIONRAAGPY-VIFPVBQESA-N 2 1 303.233 3.479 20 10 DGCDMP COc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1O ZINC000846138984 631211429 /nfs/dbraw/zinc/21/14/29/631211429.db2.gz ZGYYTEDKRLFDEV-GJZGRUSLSA-N 2 1 306.450 3.316 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000846766593 631299358 /nfs/dbraw/zinc/29/93/58/631299358.db2.gz UCLCPUCZXHCZHX-UHFFFAOYSA-N 2 1 314.477 3.331 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000846766593 631299359 /nfs/dbraw/zinc/29/93/59/631299359.db2.gz UCLCPUCZXHCZHX-UHFFFAOYSA-N 2 1 314.477 3.331 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000093770677 662359985 /nfs/dbraw/zinc/35/99/85/662359985.db2.gz ZZBBBKFAKHSSRU-SFHVURJKSA-N 2 1 303.494 3.306 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000093770677 662359987 /nfs/dbraw/zinc/35/99/87/662359987.db2.gz ZZBBBKFAKHSSRU-SFHVURJKSA-N 2 1 303.494 3.306 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000093770677 662359990 /nfs/dbraw/zinc/35/99/90/662359990.db2.gz ZZBBBKFAKHSSRU-SFHVURJKSA-N 2 1 303.494 3.306 20 10 DGCDMP CN(C)CC(C)(C)C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC001659048589 1196337373 /nfs/dbraw/zinc/33/73/73/1196337373.db2.gz WJTDFWOSQXIGGN-UHFFFAOYSA-N 2 1 302.821 3.204 20 10 DGCDMP CN(C)CC(C)(C)C[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC001659048589 1196337377 /nfs/dbraw/zinc/33/73/77/1196337377.db2.gz WJTDFWOSQXIGGN-UHFFFAOYSA-N 2 1 302.821 3.204 20 10 DGCDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001660892231 1196538707 /nfs/dbraw/zinc/53/87/07/1196538707.db2.gz HYPKSQGEPBRNOZ-DUVNUKRYSA-N 2 1 308.853 3.208 20 10 DGCDMP CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001661507928 1196613279 /nfs/dbraw/zinc/61/32/79/1196613279.db2.gz UXIALTBEZYMTQL-GJZGRUSLSA-N 2 1 307.457 3.102 20 10 DGCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205009173 1091083593 /nfs/dbraw/zinc/08/35/93/1091083593.db2.gz IRCVWPYQIVOXEV-MRXNPFEDSA-N 2 1 311.473 3.337 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(OC)c1 ZINC001205264772 1091154601 /nfs/dbraw/zinc/15/46/01/1091154601.db2.gz LUYWWEXDHZYPFA-LJQANCHMSA-N 2 1 319.493 3.245 20 10 DGCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001205274371 1091159978 /nfs/dbraw/zinc/15/99/78/1091159978.db2.gz WDKDKHPNSAIKTJ-HXUWFJFHSA-N 2 1 313.489 3.089 20 10 DGCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001205558098 1091251533 /nfs/dbraw/zinc/25/15/33/1091251533.db2.gz BTUUBOHMXRPGGY-IBGZPJMESA-N 2 1 319.468 3.330 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206005649 1091445542 /nfs/dbraw/zinc/44/55/42/1091445542.db2.gz YXXUAPOUWMTZLR-UONOGXRCSA-N 2 1 309.885 3.213 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c(O)c1 ZINC001206003472 1091445840 /nfs/dbraw/zinc/44/58/40/1091445840.db2.gz IIGJHMLRQWHGEH-HZPDHXFCSA-N 2 1 319.493 3.045 20 10 DGCDMP COc1cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256269 1091501104 /nfs/dbraw/zinc/50/11/04/1091501104.db2.gz XQHFRXTVWKBAQT-HOTGVXAUSA-N 2 1 318.461 3.084 20 10 DGCDMP CC[C@@H]1CCC[N@@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139257561 1091501557 /nfs/dbraw/zinc/50/15/57/1091501557.db2.gz FEABJCQUNUTDNS-CQSZACIVSA-N 2 1 306.450 3.084 20 10 DGCDMP COc1cc(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)cc(C[NH+](C)C)c1O ZINC001139260385 1091503671 /nfs/dbraw/zinc/50/36/71/1091503671.db2.gz RIQMVMCHPOEAIR-CZIWCDLHSA-N 2 1 320.477 3.473 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC4(CCC4)C3)cc2)CC1 ZINC001139410897 1091551092 /nfs/dbraw/zinc/55/10/92/1091551092.db2.gz KREDMIHNDWNELK-UHFFFAOYSA-N 2 1 313.489 3.205 20 10 DGCDMP CCC[N@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)CC1CC1 ZINC001140300043 1091818484 /nfs/dbraw/zinc/81/84/84/1091818484.db2.gz KBLVTIJLYUSBQG-UHFFFAOYSA-N 2 1 315.505 3.451 20 10 DGCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C1 ZINC001143105205 1092615105 /nfs/dbraw/zinc/61/51/05/1092615105.db2.gz MNNOEBPPXYXRBE-ZBFHGGJFSA-N 2 1 302.462 3.073 20 10 DGCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C1 ZINC001143105205 1092615109 /nfs/dbraw/zinc/61/51/09/1092615109.db2.gz MNNOEBPPXYXRBE-ZBFHGGJFSA-N 2 1 302.462 3.073 20 10 DGCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C1 ZINC001143105205 1092615111 /nfs/dbraw/zinc/61/51/11/1092615111.db2.gz MNNOEBPPXYXRBE-ZBFHGGJFSA-N 2 1 302.462 3.073 20 10 DGCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C1 ZINC001143117073 1092617586 /nfs/dbraw/zinc/61/75/86/1092617586.db2.gz RKYFVNXPPBSBBY-CALCHBBNSA-N 2 1 316.489 3.463 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C1 ZINC001143117073 1092617591 /nfs/dbraw/zinc/61/75/91/1092617591.db2.gz RKYFVNXPPBSBBY-CALCHBBNSA-N 2 1 316.489 3.463 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C1 ZINC001143117073 1092617595 /nfs/dbraw/zinc/61/75/95/1092617595.db2.gz RKYFVNXPPBSBBY-CALCHBBNSA-N 2 1 316.489 3.463 20 10 DGCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C1 ZINC001143116807 1092618332 /nfs/dbraw/zinc/61/83/32/1092618332.db2.gz LEBWYDMHINYZQU-IYBDPMFKSA-N 2 1 302.462 3.073 20 10 DGCDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(N)cc3)C2)CC1 ZINC001337834382 1095111043 /nfs/dbraw/zinc/11/10/43/1095111043.db2.gz RFICMHOWIHJYNA-SFHVURJKSA-N 2 1 301.478 3.213 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)ccc1N(C)C ZINC001222265804 1095521691 /nfs/dbraw/zinc/52/16/91/1095521691.db2.gz ZLRALSOIXQBPPQ-LJQANCHMSA-N 2 1 301.478 3.027 20 10 DGCDMP CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001339509754 1095643355 /nfs/dbraw/zinc/64/33/55/1095643355.db2.gz MSSAJYJAAOAFCR-JKSUJKDBSA-N 2 1 321.484 3.492 20 10 DGCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001276837796 1095752896 /nfs/dbraw/zinc/75/28/96/1095752896.db2.gz HWKZUVUJEGBZQV-AGUYFDCRSA-N 2 1 314.351 3.126 20 10 DGCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001276837796 1095752904 /nfs/dbraw/zinc/75/29/04/1095752904.db2.gz HWKZUVUJEGBZQV-AGUYFDCRSA-N 2 1 314.351 3.126 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322553609 1096730178 /nfs/dbraw/zinc/73/01/78/1096730178.db2.gz BPUNGLOXQYPGPE-MOTUXRJWSA-N 2 1 300.446 3.464 20 10 DGCDMP CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c2ccccc21 ZINC001206167019 1097193321 /nfs/dbraw/zinc/19/33/21/1097193321.db2.gz WAQLGYHBIAZLGY-MSOLQXFVSA-N 2 1 315.436 3.167 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2ccccc21 ZINC001206167019 1097193324 /nfs/dbraw/zinc/19/33/24/1097193324.db2.gz WAQLGYHBIAZLGY-MSOLQXFVSA-N 2 1 315.436 3.167 20 10 DGCDMP CN(C)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2ccccc21 ZINC001206167019 1097193328 /nfs/dbraw/zinc/19/33/28/1097193328.db2.gz WAQLGYHBIAZLGY-MSOLQXFVSA-N 2 1 315.436 3.167 20 10 DGCDMP CCSC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001173295118 1097399794 /nfs/dbraw/zinc/39/97/94/1097399794.db2.gz INVLVDMFWOKEEZ-CQSZACIVSA-N 2 1 308.491 3.088 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206311853 1098664738 /nfs/dbraw/zinc/66/47/38/1098664738.db2.gz VXVKUOTVPSRGTG-QGZVFWFLSA-N 2 1 309.885 3.357 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235153388 1098839775 /nfs/dbraw/zinc/83/97/75/1098839775.db2.gz SATZNRZZJLSJNS-MRXNPFEDSA-N 2 1 308.853 3.400 20 10 DGCDMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(O)c1 ZINC001235354197 1098975086 /nfs/dbraw/zinc/97/50/86/1098975086.db2.gz BSUCNAYEAHHRGZ-TZIWHRDSSA-N 2 1 322.452 3.280 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400220 1098995664 /nfs/dbraw/zinc/99/56/64/1098995664.db2.gz CRIYVJBBLBAXAM-HKUYNNGSSA-N 2 1 320.452 3.213 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)c1O ZINC001235408097 1099004383 /nfs/dbraw/zinc/00/43/83/1099004383.db2.gz UAGQBIIKYSABHH-APWZRJJASA-N 2 1 320.452 3.213 20 10 DGCDMP C[N@@H+](Cc1c(O)ccc(Cl)c1Cl)CC1CC[NH2+]CC1 ZINC001235432112 1099028981 /nfs/dbraw/zinc/02/89/81/1099028981.db2.gz INKNVXDXHXDMIM-UHFFFAOYSA-N 2 1 303.233 3.130 20 10 DGCDMP C[N@H+](Cc1c(O)ccc(Cl)c1Cl)CC1CC[NH2+]CC1 ZINC001235432112 1099028992 /nfs/dbraw/zinc/02/89/92/1099028992.db2.gz INKNVXDXHXDMIM-UHFFFAOYSA-N 2 1 303.233 3.130 20 10 DGCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235678644 1099121608 /nfs/dbraw/zinc/12/16/08/1099121608.db2.gz JZULGSRDAZVMEQ-VQIMIIECSA-N 2 1 302.462 3.073 20 10 DGCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001235868915 1099228116 /nfs/dbraw/zinc/22/81/16/1099228116.db2.gz WRFXXROJOIWPCC-AZUAARDMSA-N 2 1 313.489 3.251 20 10 DGCDMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001236066179 1099365099 /nfs/dbraw/zinc/36/50/99/1099365099.db2.gz GFSCICBNEJXKAW-GFCCVEGCSA-N 2 1 310.869 3.384 20 10 DGCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001236066179 1099365110 /nfs/dbraw/zinc/36/51/10/1099365110.db2.gz GFSCICBNEJXKAW-GFCCVEGCSA-N 2 1 310.869 3.384 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)C2CCC([NH2+]C)CC2)cc1 ZINC001236213346 1099468201 /nfs/dbraw/zinc/46/82/01/1099468201.db2.gz PBZDAALWDQGQAT-UHFFFAOYSA-N 2 1 303.494 3.495 20 10 DGCDMP C[N@H+](Cc1cc(C(F)(F)F)ccc1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216406 1099472572 /nfs/dbraw/zinc/47/25/72/1099472572.db2.gz KFINROBZZRTBQD-QWHCGFSZSA-N 2 1 302.340 3.113 20 10 DGCDMP C[N@@H+](Cc1cc(C(F)(F)F)ccc1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236216406 1099472577 /nfs/dbraw/zinc/47/25/77/1099472577.db2.gz KFINROBZZRTBQD-QWHCGFSZSA-N 2 1 302.340 3.113 20 10 DGCDMP CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236245989 1099499307 /nfs/dbraw/zinc/49/93/07/1099499307.db2.gz WRCAUDHNISRJLI-UHFFFAOYSA-N 2 1 323.484 3.427 20 10 DGCDMP Oc1ccc(F)c(F)c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375356 1099563914 /nfs/dbraw/zinc/56/39/14/1099563914.db2.gz KPEIDLXGRHEMFU-CYBMUJFWSA-N 2 1 324.415 3.415 20 10 DGCDMP Oc1ccc(F)c(F)c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375356 1099563920 /nfs/dbraw/zinc/56/39/20/1099563920.db2.gz KPEIDLXGRHEMFU-CYBMUJFWSA-N 2 1 324.415 3.415 20 10 DGCDMP CCc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(O)c1 ZINC001236786558 1099782920 /nfs/dbraw/zinc/78/29/20/1099782920.db2.gz CTGVHEDDFVGUFT-QGZVFWFLSA-N 2 1 312.413 3.311 20 10 DGCDMP CCc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(O)c1 ZINC001236786558 1099782929 /nfs/dbraw/zinc/78/29/29/1099782929.db2.gz CTGVHEDDFVGUFT-QGZVFWFLSA-N 2 1 312.413 3.311 20 10 DGCDMP C[NH+]1CCC2(CC[N@@H+](Cc3cc4ccccc4cc3O)C2)CC1 ZINC001236831144 1099818437 /nfs/dbraw/zinc/81/84/37/1099818437.db2.gz FKWWPPUOXRXBII-UHFFFAOYSA-N 2 1 310.441 3.463 20 10 DGCDMP CC[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236942043 1099883421 /nfs/dbraw/zinc/88/34/21/1099883421.db2.gz IULPFZXYZLICHY-INIZCTEOSA-N 2 1 319.468 3.200 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])C2)c2ccccc21 ZINC001237059218 1099949694 /nfs/dbraw/zinc/94/96/94/1099949694.db2.gz RULALKAHADYJQR-FQEVSTJZSA-N 2 1 311.473 3.467 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237415415 1100119281 /nfs/dbraw/zinc/11/92/81/1100119281.db2.gz NMAGKGIEZPMSEI-PBHICJAKSA-N 2 1 302.462 3.264 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(Cl)cc(C)c3O)C[C@H]2C1 ZINC001237690357 1100215147 /nfs/dbraw/zinc/21/51/47/1100215147.db2.gz WIMQTPBLQNMTBX-HUUCEWRRSA-N 2 1 308.853 3.128 20 10 DGCDMP C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@@H]1C[NH3+] ZINC001205637987 1100763164 /nfs/dbraw/zinc/76/31/64/1100763164.db2.gz KFOVRCMEOUTZGG-NWDGAFQWSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@@H]1C[NH3+] ZINC001205637987 1100763166 /nfs/dbraw/zinc/76/31/66/1100763166.db2.gz KFOVRCMEOUTZGG-NWDGAFQWSA-N 2 1 316.367 3.218 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001328401221 1103933841 /nfs/dbraw/zinc/93/38/41/1103933841.db2.gz VAOCBGYWMKKLGY-WOJBJXKFSA-N 2 1 313.489 3.393 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001328401221 1103933852 /nfs/dbraw/zinc/93/38/52/1103933852.db2.gz VAOCBGYWMKKLGY-WOJBJXKFSA-N 2 1 313.489 3.393 20 10 DGCDMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]Cc2ccc(N)cc2)CC[NH2+]1 ZINC001246169723 1104417524 /nfs/dbraw/zinc/41/75/24/1104417524.db2.gz JFXJXALBIGKRDS-MJGOQNOKSA-N 2 1 313.420 3.299 20 10 DGCDMP CC(C)[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC001246793611 1104679137 /nfs/dbraw/zinc/67/91/37/1104679137.db2.gz UYVXCVDBPUVOFP-VQTJNVASSA-N 2 1 315.505 3.495 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246924022 1104738121 /nfs/dbraw/zinc/73/81/21/1104738121.db2.gz LKOQGSCZAIANCX-UXHICEINSA-N 2 1 315.505 3.497 20 10 DGCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(C)(C)C)c1O ZINC001275798847 1104912383 /nfs/dbraw/zinc/91/23/83/1104912383.db2.gz LWIBLSPCZBYRSX-MQVJKMGUSA-N 2 1 302.462 3.405 20 10 DGCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(C)(C)C)cc1O ZINC001276287358 1105076922 /nfs/dbraw/zinc/07/69/22/1105076922.db2.gz SHJNBUKYZPTZCD-ALOPSCKCSA-N 2 1 302.462 3.405 20 10 DGCDMP CCC[NH+](CCC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001253963035 1106004850 /nfs/dbraw/zinc/00/48/50/1106004850.db2.gz JHYUJCKEJYELDT-UHFFFAOYSA-N 2 1 307.457 3.200 20 10 DGCDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186394 1107355325 /nfs/dbraw/zinc/35/53/25/1107355325.db2.gz FWKYBICKVSEDPM-AZUAARDMSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186394 1107355339 /nfs/dbraw/zinc/35/53/39/1107355339.db2.gz FWKYBICKVSEDPM-AZUAARDMSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186394 1107355351 /nfs/dbraw/zinc/35/53/51/1107355351.db2.gz FWKYBICKVSEDPM-AZUAARDMSA-N 2 1 313.489 3.203 20 10 DGCDMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CCN1C ZINC001324745708 1108449518 /nfs/dbraw/zinc/44/95/18/1108449518.db2.gz FAKPBHBRIYQZLQ-QFBILLFUSA-N 2 1 301.478 3.201 20 10 DGCDMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC001324745708 1108449521 /nfs/dbraw/zinc/44/95/21/1108449521.db2.gz FAKPBHBRIYQZLQ-QFBILLFUSA-N 2 1 301.478 3.201 20 10 DGCDMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC001324745708 1108449527 /nfs/dbraw/zinc/44/95/27/1108449527.db2.gz FAKPBHBRIYQZLQ-QFBILLFUSA-N 2 1 301.478 3.201 20 10 DGCDMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CC[NH+]1C ZINC001324745708 1108449529 /nfs/dbraw/zinc/44/95/29/1108449529.db2.gz FAKPBHBRIYQZLQ-QFBILLFUSA-N 2 1 301.478 3.201 20 10 DGCDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(N4CCCC4)cc3)CC[C@@H]21 ZINC001319730168 1108614237 /nfs/dbraw/zinc/61/42/37/1108614237.db2.gz WOQUDHPMOHXMCT-ICSRJNTNSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CC[C@@H]21 ZINC001319730168 1108614243 /nfs/dbraw/zinc/61/42/43/1108614243.db2.gz WOQUDHPMOHXMCT-ICSRJNTNSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CC[C@@H]21 ZINC001319730168 1108614247 /nfs/dbraw/zinc/61/42/47/1108614247.db2.gz WOQUDHPMOHXMCT-ICSRJNTNSA-N 2 1 313.489 3.203 20 10 DGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC001319730170 1108614519 /nfs/dbraw/zinc/61/45/19/1108614519.db2.gz WOQUDHPMOHXMCT-UYAOXDASSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC001319730170 1108614526 /nfs/dbraw/zinc/61/45/26/1108614526.db2.gz WOQUDHPMOHXMCT-UYAOXDASSA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CC[C@H]21 ZINC001319730170 1108614529 /nfs/dbraw/zinc/61/45/29/1108614529.db2.gz WOQUDHPMOHXMCT-UYAOXDASSA-N 2 1 313.489 3.203 20 10 DGCDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319828786 1108654143 /nfs/dbraw/zinc/65/41/43/1108654143.db2.gz NACDEQGARIKQRX-IBGZPJMESA-N 2 1 315.505 3.451 20 10 DGCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319828786 1108654147 /nfs/dbraw/zinc/65/41/47/1108654147.db2.gz NACDEQGARIKQRX-IBGZPJMESA-N 2 1 315.505 3.451 20 10 DGCDMP CCOCc1cc(C[NH2+]CCC[NH+]2CCCCC2)ccc1OC ZINC001308186251 1111392878 /nfs/dbraw/zinc/39/28/78/1111392878.db2.gz VECSPRNDKBZXAB-UHFFFAOYSA-N 2 1 320.477 3.197 20 10 DGCDMP C[N@H+](Cc1ccccc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000179573792 432062872 /nfs/dbraw/zinc/06/28/72/432062872.db2.gz YGOILMACGLRJJD-SFHVURJKSA-N 2 1 310.441 3.346 20 10 DGCDMP C[N@H+](Cc1ccccc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000179573809 432063097 /nfs/dbraw/zinc/06/30/97/432063097.db2.gz YGOILMACGLRJJD-GOSISDBHSA-N 2 1 310.441 3.346 20 10 DGCDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2O)C1 ZINC000179564253 432063418 /nfs/dbraw/zinc/06/34/18/432063418.db2.gz MVNYOMITPIQXIU-DLBZAZTESA-N 2 1 302.462 3.479 20 10 DGCDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179564253 432063420 /nfs/dbraw/zinc/06/34/20/432063420.db2.gz MVNYOMITPIQXIU-DLBZAZTESA-N 2 1 302.462 3.479 20 10 DGCDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179564253 432063422 /nfs/dbraw/zinc/06/34/22/432063422.db2.gz MVNYOMITPIQXIU-DLBZAZTESA-N 2 1 302.462 3.479 20 10 DGCDMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(F)cc1[O-] ZINC000286277436 131227989 /nfs/dbraw/zinc/22/79/89/131227989.db2.gz VPBYOVMTPDWHKJ-BLLLJJGKSA-N 2 1 305.397 3.413 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000174515365 432354326 /nfs/dbraw/zinc/35/43/26/432354326.db2.gz DWQDAIPIKVNASQ-GDBMZVCRSA-N 2 1 307.457 3.244 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000174515365 432354329 /nfs/dbraw/zinc/35/43/29/432354329.db2.gz DWQDAIPIKVNASQ-GDBMZVCRSA-N 2 1 307.457 3.244 20 10 DGCDMP CN1CCC([N@@H+](Cc2ccccc2)Cc2ccccc2O)CC1 ZINC000290486950 433065763 /nfs/dbraw/zinc/06/57/63/433065763.db2.gz OKNYQMWIGJYEMW-UHFFFAOYSA-N 2 1 310.441 3.489 20 10 DGCDMP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1O ZINC000287355512 535803173 /nfs/dbraw/zinc/80/31/73/535803173.db2.gz GYURUVMMVAZGFK-QGZVFWFLSA-N 2 1 306.425 3.446 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1F ZINC000742385875 574995367 /nfs/dbraw/zinc/99/53/67/574995367.db2.gz ZJQUHXCEACBORD-YJBOKZPZSA-N 2 1 321.484 3.492 20 10 DGCDMP Oc1cc2c(cc1C[NH+]1CCC([NH+]3CCCCC3)CC1)CCC2 ZINC000749663548 575671215 /nfs/dbraw/zinc/67/12/15/575671215.db2.gz WXDFNDUBOMWTSP-UHFFFAOYSA-N 2 1 314.473 3.331 20 10 DGCDMP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1O ZINC000852760006 620646647 /nfs/dbraw/zinc/64/66/47/620646647.db2.gz TUFDAKUOFYUBJN-SJKOYZFVSA-N 2 1 322.424 3.073 20 10 DGCDMP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1O ZINC000852760006 620646649 /nfs/dbraw/zinc/64/66/49/620646649.db2.gz TUFDAKUOFYUBJN-SJKOYZFVSA-N 2 1 322.424 3.073 20 10 DGCDMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000854230433 620786532 /nfs/dbraw/zinc/78/65/32/620786532.db2.gz PLUPLZUTYRUMIM-ZWNOBZJWSA-N 2 1 304.356 3.435 20 10 DGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)cc(OC)c2O)CC1 ZINC000893967522 618684899 /nfs/dbraw/zinc/68/48/99/618684899.db2.gz NRGUCDNNAXYGMM-UHFFFAOYSA-N 2 1 306.450 3.015 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000841004129 619148430 /nfs/dbraw/zinc/14/84/30/619148430.db2.gz MQZJWIZUXTXGJJ-AEFFLSMTSA-N 2 1 303.494 3.353 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000841004143 619148595 /nfs/dbraw/zinc/14/85/95/619148595.db2.gz MQZJWIZUXTXGJJ-WMZOPIPTSA-N 2 1 303.494 3.353 20 10 DGCDMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756434016 621638206 /nfs/dbraw/zinc/63/82/06/621638206.db2.gz SWALXXVXFWHSDJ-SMDDNHRTSA-N 2 1 303.381 3.264 20 10 DGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756450214 621639516 /nfs/dbraw/zinc/63/95/16/621639516.db2.gz RCEJVFWOIBZPOC-UMVBOHGHSA-N 2 1 306.425 3.401 20 10 DGCDMP Cc1cc(CC[NH2+]C2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000761571334 622018498 /nfs/dbraw/zinc/01/84/98/622018498.db2.gz ICQGBAOTUCLGMV-UHFFFAOYSA-N 2 1 311.473 3.320 20 10 DGCDMP COc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(O)cc1C ZINC000768448616 622456701 /nfs/dbraw/zinc/45/67/01/622456701.db2.gz SWEFUEXTCWPVKI-UHFFFAOYSA-N 2 1 320.477 3.261 20 10 DGCDMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1O ZINC000775504320 623281371 /nfs/dbraw/zinc/28/13/71/623281371.db2.gz XKDWXNWWDHYGRK-WMZOPIPTSA-N 2 1 318.461 3.076 20 10 DGCDMP CC(C)C[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775652774 623304902 /nfs/dbraw/zinc/30/49/02/623304902.db2.gz SLCBNAQRIPZJEN-HXUWFJFHSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@H](C1CC1)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775654279 623305845 /nfs/dbraw/zinc/30/58/45/623305845.db2.gz WLEAJMYQLXQAIW-MRXNPFEDSA-N 2 1 313.489 3.201 20 10 DGCDMP C[C@@H](C1CC1)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775654278 623306365 /nfs/dbraw/zinc/30/63/65/623306365.db2.gz WLEAJMYQLXQAIW-INIZCTEOSA-N 2 1 313.489 3.201 20 10 DGCDMP CC(C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000775716315 623318296 /nfs/dbraw/zinc/31/82/96/623318296.db2.gz UAJJHSGEBIWJDZ-UHFFFAOYSA-N 2 1 301.478 3.201 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000777469909 623529458 /nfs/dbraw/zinc/52/94/58/623529458.db2.gz PHYQCCFWWSNBLX-VQIMIIECSA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000777469909 623529461 /nfs/dbraw/zinc/52/94/61/623529461.db2.gz PHYQCCFWWSNBLX-VQIMIIECSA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000777469909 623529465 /nfs/dbraw/zinc/52/94/65/623529465.db2.gz PHYQCCFWWSNBLX-VQIMIIECSA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000777469909 623529467 /nfs/dbraw/zinc/52/94/67/623529467.db2.gz PHYQCCFWWSNBLX-VQIMIIECSA-N 2 1 303.494 3.305 20 10 DGCDMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(O)c1 ZINC000876811574 623713713 /nfs/dbraw/zinc/71/37/13/623713713.db2.gz LIILZWLXWIVCGA-CRAIPNDOSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(O)c1 ZINC000876811574 623713717 /nfs/dbraw/zinc/71/37/17/623713717.db2.gz LIILZWLXWIVCGA-CRAIPNDOSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(O)c1 ZINC000876811574 623713719 /nfs/dbraw/zinc/71/37/19/623713719.db2.gz LIILZWLXWIVCGA-CRAIPNDOSA-N 2 1 300.446 3.149 20 10 DGCDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4c(cc3O)CCCC4)C2)C1 ZINC000840085982 626751616 /nfs/dbraw/zinc/75/16/16/626751616.db2.gz JIDGCIIPMLNDKU-FQEVSTJZSA-N 2 1 314.473 3.189 20 10 DGCDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4c(cc3O)CCCC4)C2)C1 ZINC000840085982 626751617 /nfs/dbraw/zinc/75/16/17/626751617.db2.gz JIDGCIIPMLNDKU-FQEVSTJZSA-N 2 1 314.473 3.189 20 10 DGCDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4c(cc3O)CCCC4)C2)C1 ZINC000840085982 626751620 /nfs/dbraw/zinc/75/16/20/626751620.db2.gz JIDGCIIPMLNDKU-FQEVSTJZSA-N 2 1 314.473 3.189 20 10 DGCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1O ZINC000808675594 626848263 /nfs/dbraw/zinc/84/82/63/626848263.db2.gz MNJPYPMPXMDGQZ-QWHCGFSZSA-N 2 1 308.853 3.489 20 10 DGCDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000809738795 626944276 /nfs/dbraw/zinc/94/42/76/626944276.db2.gz KBRGOOGUDNDLFC-UHFFFAOYSA-N 2 1 302.393 3.225 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000809767354 626949371 /nfs/dbraw/zinc/94/93/71/626949371.db2.gz INHYXCFYTYQDRW-UYAOXDASSA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000809767354 626949372 /nfs/dbraw/zinc/94/93/72/626949372.db2.gz INHYXCFYTYQDRW-UYAOXDASSA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000809767354 626949374 /nfs/dbraw/zinc/94/93/74/626949374.db2.gz INHYXCFYTYQDRW-UYAOXDASSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809768604 626950204 /nfs/dbraw/zinc/95/02/04/626950204.db2.gz QCIQLRMUEAZOCL-AEFFLSMTSA-N 2 1 301.478 3.201 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815073809 627623076 /nfs/dbraw/zinc/62/30/76/627623076.db2.gz AUTUKFUDXKWQNC-UHFFFAOYSA-N 2 1 300.450 3.088 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815073809 627623079 /nfs/dbraw/zinc/62/30/79/627623079.db2.gz AUTUKFUDXKWQNC-UHFFFAOYSA-N 2 1 300.450 3.088 20 10 DGCDMP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(Cl)c(Cl)cc1O ZINC000925879466 627811178 /nfs/dbraw/zinc/81/11/78/627811178.db2.gz FIBKHJKHIWEJPE-BBBLOLIVSA-N 2 1 303.233 3.477 20 10 DGCDMP CC(C)[C@H]1[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1(C)C ZINC000816624974 627816485 /nfs/dbraw/zinc/81/64/85/627816485.db2.gz NEMRPHQDVVBPBE-LJQANCHMSA-N 2 1 315.505 3.305 20 10 DGCDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956136 627974219 /nfs/dbraw/zinc/97/42/19/627974219.db2.gz RODPJDXVGGRNIK-LAUBAEHRSA-N 2 1 323.484 3.312 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956136 627974222 /nfs/dbraw/zinc/97/42/22/627974222.db2.gz RODPJDXVGGRNIK-LAUBAEHRSA-N 2 1 323.484 3.312 20 10 DGCDMP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817964618 627976969 /nfs/dbraw/zinc/97/69/69/627976969.db2.gz FYUBIJKFICDHHT-NSHDSACASA-N 2 1 316.367 3.451 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Cl)c(Cl)cc1O ZINC000817976167 627981180 /nfs/dbraw/zinc/98/11/80/627981180.db2.gz HODSDBSNEWQVHC-LKFCYVNXSA-N 2 1 315.244 3.492 20 10 DGCDMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1N1CCCCC1 ZINC000827813531 628993574 /nfs/dbraw/zinc/99/35/74/628993574.db2.gz UDPPZQNGDYGSHO-IBGZPJMESA-N 2 1 315.505 3.369 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000835050404 629836659 /nfs/dbraw/zinc/83/66/59/629836659.db2.gz ARPUYSPRGDOXJI-SOFGYWHQSA-N 2 1 301.478 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000835050404 629836662 /nfs/dbraw/zinc/83/66/62/629836662.db2.gz ARPUYSPRGDOXJI-SOFGYWHQSA-N 2 1 301.478 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000835052957 629837558 /nfs/dbraw/zinc/83/75/58/629837558.db2.gz IVBVXDIXBKQSPH-XLKJWTSGSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000835052957 629837561 /nfs/dbraw/zinc/83/75/61/629837561.db2.gz IVBVXDIXBKQSPH-XLKJWTSGSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000835052957 629837564 /nfs/dbraw/zinc/83/75/64/629837564.db2.gz IVBVXDIXBKQSPH-XLKJWTSGSA-N 2 1 313.489 3.182 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000840935427 630380755 /nfs/dbraw/zinc/38/07/55/630380755.db2.gz PDIIUYQMULLITA-JLYLLQBASA-N 2 1 301.478 3.166 20 10 DGCDMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)CC[NH2+]1 ZINC000841003262 630394261 /nfs/dbraw/zinc/39/42/61/630394261.db2.gz PDVJFGZHKCAUQH-IEBWSBKVSA-N 2 1 315.505 3.497 20 10 DGCDMP CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841005051 630394300 /nfs/dbraw/zinc/39/43/00/630394300.db2.gz DDURHFPVERAAJD-WMZOPIPTSA-N 2 1 303.494 3.351 20 10 DGCDMP C[C@H]1C[C@@H](C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC[NH2+]1 ZINC000841004174 630394573 /nfs/dbraw/zinc/39/45/73/630394573.db2.gz BNODEOJMHACPAJ-RDJZCZTQSA-N 2 1 301.478 3.105 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000843044213 630607681 /nfs/dbraw/zinc/60/76/81/630607681.db2.gz YMNLKUWSMQJUJF-UHFFFAOYSA-N 2 1 301.478 3.249 20 10 DGCDMP CCCN(CCC)c1ccc(C[NH+]2CCC([NH2+]C)CC2)cc1 ZINC000843049723 630607993 /nfs/dbraw/zinc/60/79/93/630607993.db2.gz UBLHYVYZYGYDBO-UHFFFAOYSA-N 2 1 303.494 3.497 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1O ZINC000843046033 630608232 /nfs/dbraw/zinc/60/82/32/630608232.db2.gz SVEAFAOLWJJPQA-BBRMVZONSA-N 2 1 308.853 3.318 20 10 DGCDMP CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000843052553 630608708 /nfs/dbraw/zinc/60/87/08/630608708.db2.gz NSKWXGWNTAHFHB-GOSISDBHSA-N 2 1 303.494 3.354 20 10 DGCDMP C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C[NH3+] ZINC000843052243 630608820 /nfs/dbraw/zinc/60/88/20/630608820.db2.gz QOWSZDOVTZQUCQ-LPHOPBHVSA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H]1C[NH3+] ZINC000843052243 630608822 /nfs/dbraw/zinc/60/88/22/630608822.db2.gz QOWSZDOVTZQUCQ-LPHOPBHVSA-N 2 1 301.478 3.236 20 10 DGCDMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(O)c1 ZINC000843127925 630617037 /nfs/dbraw/zinc/61/70/37/630617037.db2.gz UPWILJXLWVHZHM-JKSUJKDBSA-N 2 1 318.461 3.003 20 10 DGCDMP COc1cccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1O ZINC000846142445 631211686 /nfs/dbraw/zinc/21/16/86/631211686.db2.gz TYALOPRHBHETEN-ZDUSSCGKSA-N 2 1 304.434 3.068 20 10 DGCDMP COc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1O ZINC000846143238 631211848 /nfs/dbraw/zinc/21/18/48/631211848.db2.gz CWAYKMOVKWXOHJ-LSDHHAIUSA-N 2 1 306.450 3.172 20 10 DGCDMP COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000846155980 631212653 /nfs/dbraw/zinc/21/26/53/631212653.db2.gz JLEDUOVQPXTYOO-HZPDHXFCSA-N 2 1 320.477 3.419 20 10 DGCDMP CCc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000848888478 631773704 /nfs/dbraw/zinc/77/37/04/631773704.db2.gz UZHGLJIUXCWNON-GOSISDBHSA-N 2 1 302.462 3.405 20 10 DGCDMP CN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192920194 662116035 /nfs/dbraw/zinc/11/60/35/662116035.db2.gz IXLSBLCQJOEHIM-FQEVSTJZSA-N 2 1 323.484 3.364 20 10 DGCDMP C[N@@H+](CCC[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccccc1 ZINC000381800247 685160118 /nfs/dbraw/zinc/16/01/18/685160118.db2.gz SFRKKIRVMHKPAX-SFHVURJKSA-N 2 1 310.441 3.491 20 10 DGCDMP [NH3+][C@@H](C[N@H+](Cc1ccccc1O)C1CCCC1)CC(F)(F)F ZINC001580128237 1192008800 /nfs/dbraw/zinc/00/88/00/1192008800.db2.gz UJOGJVVFVUBSJM-CYBMUJFWSA-N 2 1 316.367 3.417 20 10 DGCDMP [NH3+][C@@H](C[N@@H+](Cc1ccccc1O)C1CCCC1)CC(F)(F)F ZINC001580128237 1192008802 /nfs/dbraw/zinc/00/88/02/1192008802.db2.gz UJOGJVVFVUBSJM-CYBMUJFWSA-N 2 1 316.367 3.417 20 10 DGCDMP COc1cc(C)c(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(O)c1 ZINC001474350739 1183909390 /nfs/dbraw/zinc/90/93/90/1183909390.db2.gz OYULHLIQGSYOAK-HNNXBMFYSA-N 2 1 306.450 3.015 20 10 DGCDMP COc1cc(C)c(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(O)c1 ZINC001474350739 1183909393 /nfs/dbraw/zinc/90/93/93/1183909393.db2.gz OYULHLIQGSYOAK-HNNXBMFYSA-N 2 1 306.450 3.015 20 10 DGCDMP COc1cc(C)c(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(O)c1 ZINC001474350739 1183909395 /nfs/dbraw/zinc/90/93/95/1183909395.db2.gz OYULHLIQGSYOAK-HNNXBMFYSA-N 2 1 306.450 3.015 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC001474741339 1183971252 /nfs/dbraw/zinc/97/12/52/1183971252.db2.gz UDVAZVXOBURLFQ-CMDGGOBGSA-N 2 1 303.494 3.285 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@@H+](C)CC(C)(C)C[NH+](C)C)cc1 ZINC001474741339 1183971254 /nfs/dbraw/zinc/97/12/54/1183971254.db2.gz UDVAZVXOBURLFQ-CMDGGOBGSA-N 2 1 303.494 3.285 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]C3CCCCCC3)cc2F)CC1 ZINC001560253709 1189300407 /nfs/dbraw/zinc/30/04/07/1189300407.db2.gz AWZIBINFWUPOID-UHFFFAOYSA-N 2 1 319.468 3.390 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(OC)cc2O)C[C@@H]1C ZINC001560636404 1189351876 /nfs/dbraw/zinc/35/18/76/1189351876.db2.gz FNPHRTZWYQRNFJ-GJZGRUSLSA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(OC)cc2O)C[C@@H]1C ZINC001560636404 1189351877 /nfs/dbraw/zinc/35/18/77/1189351877.db2.gz FNPHRTZWYQRNFJ-GJZGRUSLSA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(OC)cc2O)C[C@@H]1C ZINC001560636404 1189351881 /nfs/dbraw/zinc/35/18/81/1189351881.db2.gz FNPHRTZWYQRNFJ-GJZGRUSLSA-N 2 1 306.450 3.014 20 10 DGCDMP CCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CCC[NH+](C)C ZINC001621314028 1193829210 /nfs/dbraw/zinc/82/92/10/1193829210.db2.gz STZIYJBCRRZYQA-VQHVLOKHSA-N 2 1 303.494 3.430 20 10 DGCDMP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001648702851 1195324158 /nfs/dbraw/zinc/32/41/58/1195324158.db2.gz JDYTXQPNMXXFCM-QAPCUYQASA-N 2 1 319.468 3.246 20 10 DGCDMP CC(C)c1ccc(O)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC001658192768 1196223594 /nfs/dbraw/zinc/22/35/94/1196223594.db2.gz CTROBVMJKGZHCE-LJQANCHMSA-N 2 1 302.462 3.433 20 10 DGCDMP CC(C)C[N@@H+](C)CCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001658230283 1196228738 /nfs/dbraw/zinc/22/87/38/1196228738.db2.gz XYUQDVUZUKRWFP-SOFGYWHQSA-N 2 1 303.494 3.333 20 10 DGCDMP CCc1ccc[nH+]c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426876 1082097663 /nfs/dbraw/zinc/09/76/63/1082097663.db2.gz MQKXMQFGGSHEQB-UHFFFAOYSA-N 2 1 310.445 3.008 20 10 DGCDMP Oc1cc(Cl)c(F)cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204741887 1091027359 /nfs/dbraw/zinc/02/73/59/1091027359.db2.gz DZLJJMHEAIZCFR-UHFFFAOYSA-N 2 1 312.816 3.150 20 10 DGCDMP Oc1cc(Cl)c(F)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204741887 1091027366 /nfs/dbraw/zinc/02/73/66/1091027366.db2.gz DZLJJMHEAIZCFR-UHFFFAOYSA-N 2 1 312.816 3.150 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1 ZINC001205546633 1091249388 /nfs/dbraw/zinc/24/93/88/1091249388.db2.gz XOHXRGSSRNDNSA-GOSISDBHSA-N 2 1 307.457 3.186 20 10 DGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806310 1091357802 /nfs/dbraw/zinc/35/78/02/1091357802.db2.gz TWRVAYNAJJENEU-RDJZCZTQSA-N 2 1 311.473 3.465 20 10 DGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806310 1091357810 /nfs/dbraw/zinc/35/78/10/1091357810.db2.gz TWRVAYNAJJENEU-RDJZCZTQSA-N 2 1 311.473 3.465 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(OC)c1 ZINC001205901321 1091400196 /nfs/dbraw/zinc/40/01/96/1091400196.db2.gz CMBSGPATONBLJS-HOTGVXAUSA-N 2 1 319.493 3.101 20 10 DGCDMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001205922849 1091414720 /nfs/dbraw/zinc/41/47/20/1091414720.db2.gz BVRVIHKIIUFMDC-KGLIPLIRSA-N 2 1 316.445 3.136 20 10 DGCDMP COc1cc(C[N@H+]2CCC23CCCCC3)cc(C[NH+](C)C)c1O ZINC001139253999 1091501343 /nfs/dbraw/zinc/50/13/43/1091501343.db2.gz BDSCRIQPRDWJJO-UHFFFAOYSA-N 2 1 318.461 3.371 20 10 DGCDMP COc1cc(C[N@H+]2CCCC[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139252973 1091501387 /nfs/dbraw/zinc/50/13/87/1091501387.db2.gz HMVHXRRTRBLXKP-AWEZNQCLSA-N 2 1 306.450 3.084 20 10 DGCDMP COc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139258226 1091503442 /nfs/dbraw/zinc/50/34/42/1091503442.db2.gz NBUPKHJDSSTALT-KBPBESRZSA-N 2 1 306.450 3.083 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206163892 1091516602 /nfs/dbraw/zinc/51/66/02/1091516602.db2.gz HGGDAETVBFKNTR-MOPGFXCFSA-N 2 1 315.436 3.355 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1 ZINC001206163892 1091516607 /nfs/dbraw/zinc/51/66/07/1091516607.db2.gz HGGDAETVBFKNTR-MOPGFXCFSA-N 2 1 315.436 3.355 20 10 DGCDMP CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c1O ZINC001206360740 1091597640 /nfs/dbraw/zinc/59/76/40/1091597640.db2.gz AGRHZKLICGMJTH-SFHVURJKSA-N 2 1 308.441 3.343 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c1O ZINC001206360740 1091597647 /nfs/dbraw/zinc/59/76/47/1091597647.db2.gz AGRHZKLICGMJTH-SFHVURJKSA-N 2 1 308.441 3.343 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C)CC3)cc2)CC1 ZINC001140301951 1091818991 /nfs/dbraw/zinc/81/89/91/1091818991.db2.gz FHTKEXJKVMDNIH-SFHVURJKSA-N 2 1 315.505 3.451 20 10 DGCDMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342297 1091835371 /nfs/dbraw/zinc/83/53/71/1091835371.db2.gz CFDLDMQBUGJIEW-ZDUSSCGKSA-N 2 1 318.804 3.402 20 10 DGCDMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)c(F)cc1O ZINC001207302204 1091917481 /nfs/dbraw/zinc/91/74/81/1091917481.db2.gz NFMGUYDJDUQXAF-UHFFFAOYSA-N 2 1 312.404 3.368 20 10 DGCDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)c(F)cc1O ZINC001207302204 1091917486 /nfs/dbraw/zinc/91/74/86/1091917486.db2.gz NFMGUYDJDUQXAF-UHFFFAOYSA-N 2 1 312.404 3.368 20 10 DGCDMP Cc1c(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c2ccccc2n1C ZINC001276557126 1092204636 /nfs/dbraw/zinc/20/46/36/1092204636.db2.gz VSMUHPFBMHBPGF-HXUWFJFHSA-N 2 1 311.473 3.404 20 10 DGCDMP Cc1c(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1C ZINC001276557126 1092204645 /nfs/dbraw/zinc/20/46/45/1092204645.db2.gz VSMUHPFBMHBPGF-HXUWFJFHSA-N 2 1 311.473 3.404 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)CC2(C[NH+](C)C)CCCC2)cc1 ZINC001208187159 1092249784 /nfs/dbraw/zinc/24/97/84/1092249784.db2.gz HSXLQXSFXPTELS-UHFFFAOYSA-N 2 1 303.494 3.306 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169154428 1092568154 /nfs/dbraw/zinc/56/81/54/1092568154.db2.gz QOKVQZIHLCQZCX-BWTSREIZSA-N 2 1 301.478 3.200 20 10 DGCDMP CC[NH+](Cc1ccc(N(C)C)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169154428 1092568163 /nfs/dbraw/zinc/56/81/63/1092568163.db2.gz QOKVQZIHLCQZCX-BWTSREIZSA-N 2 1 301.478 3.200 20 10 DGCDMP CC[NH+](Cc1ccc(N(C)C)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169154428 1092568172 /nfs/dbraw/zinc/56/81/72/1092568172.db2.gz QOKVQZIHLCQZCX-BWTSREIZSA-N 2 1 301.478 3.200 20 10 DGCDMP Oc1cccc2c1C[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208951864 1092608296 /nfs/dbraw/zinc/60/82/96/1092608296.db2.gz FIWMQGGDVFJRJP-GOSISDBHSA-N 2 1 322.452 3.272 20 10 DGCDMP Oc1cccc2c1C[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208951864 1092608298 /nfs/dbraw/zinc/60/82/98/1092608298.db2.gz FIWMQGGDVFJRJP-GOSISDBHSA-N 2 1 322.452 3.272 20 10 DGCDMP Oc1cccc2c1C[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208951864 1092608301 /nfs/dbraw/zinc/60/83/01/1092608301.db2.gz FIWMQGGDVFJRJP-GOSISDBHSA-N 2 1 322.452 3.272 20 10 DGCDMP CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC001276815566 1095140552 /nfs/dbraw/zinc/14/05/52/1095140552.db2.gz WEBOMJVBOHPCNJ-IBGZPJMESA-N 2 1 302.462 3.433 20 10 DGCDMP CC(C)c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC001276815566 1095140560 /nfs/dbraw/zinc/14/05/60/1095140560.db2.gz WEBOMJVBOHPCNJ-IBGZPJMESA-N 2 1 302.462 3.433 20 10 DGCDMP CC(C)c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c1 ZINC001276815566 1095140567 /nfs/dbraw/zinc/14/05/67/1095140567.db2.gz WEBOMJVBOHPCNJ-IBGZPJMESA-N 2 1 302.462 3.433 20 10 DGCDMP COc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(O)c1 ZINC001222162021 1095469739 /nfs/dbraw/zinc/46/97/39/1095469739.db2.gz WJPCRXCFYYEXMQ-LJQANCHMSA-N 2 1 318.461 3.147 20 10 DGCDMP Cc1cccc(O)c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222172011 1095476205 /nfs/dbraw/zinc/47/62/05/1095476205.db2.gz HGFGPDFUEWQSAI-IBGZPJMESA-N 2 1 302.462 3.446 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001222265635 1095520980 /nfs/dbraw/zinc/52/09/80/1095520980.db2.gz WYZUPOKLLVXXMX-HXUWFJFHSA-N 2 1 315.505 3.498 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001222265625 1095521149 /nfs/dbraw/zinc/52/11/49/1095521149.db2.gz WYZUPOKLLVXXMX-FQEVSTJZSA-N 2 1 315.505 3.498 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC001116437344 1095551980 /nfs/dbraw/zinc/55/19/80/1095551980.db2.gz ZRKHXRMDJBAXID-GOSISDBHSA-N 2 1 301.478 3.060 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001116437344 1095551990 /nfs/dbraw/zinc/55/19/90/1095551990.db2.gz ZRKHXRMDJBAXID-GOSISDBHSA-N 2 1 301.478 3.060 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001116437344 1095552005 /nfs/dbraw/zinc/55/20/05/1095552005.db2.gz ZRKHXRMDJBAXID-GOSISDBHSA-N 2 1 301.478 3.060 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)c2ccccc21 ZINC001206167021 1097193537 /nfs/dbraw/zinc/19/35/37/1097193537.db2.gz WAQLGYHBIAZLGY-ROUUACIJSA-N 2 1 315.436 3.167 20 10 DGCDMP CN(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2ccccc21 ZINC001206167021 1097193541 /nfs/dbraw/zinc/19/35/41/1097193541.db2.gz WAQLGYHBIAZLGY-ROUUACIJSA-N 2 1 315.436 3.167 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2ccccc21 ZINC001206167021 1097193543 /nfs/dbraw/zinc/19/35/43/1097193543.db2.gz WAQLGYHBIAZLGY-ROUUACIJSA-N 2 1 315.436 3.167 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC001231868424 1097870042 /nfs/dbraw/zinc/87/00/42/1097870042.db2.gz GXFUNXRLFUYSBV-UHFFFAOYSA-N 2 1 317.820 3.071 20 10 DGCDMP CCOCc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)ccc1OC ZINC001177542099 1098552933 /nfs/dbraw/zinc/55/29/33/1098552933.db2.gz JLFJRYCLOLAHLF-QGZVFWFLSA-N 2 1 320.477 3.053 20 10 DGCDMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001206324765 1098774263 /nfs/dbraw/zinc/77/42/63/1098774263.db2.gz DEIXZRGAJIGSSN-OAHLLOKOSA-N 2 1 300.805 3.136 20 10 DGCDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001206324765 1098774272 /nfs/dbraw/zinc/77/42/72/1098774272.db2.gz DEIXZRGAJIGSSN-OAHLLOKOSA-N 2 1 300.805 3.136 20 10 DGCDMP Oc1cc(Cl)c(Cl)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235105911 1098804954 /nfs/dbraw/zinc/80/49/54/1098804954.db2.gz IBQZMFRSYVGQQQ-UHFFFAOYSA-N 2 1 315.244 3.275 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1N(C)C ZINC001235421693 1099013842 /nfs/dbraw/zinc/01/38/42/1099013842.db2.gz BXSRGNLZTFLFSK-RBUKOAKNSA-N 2 1 315.505 3.273 20 10 DGCDMP C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)CC1CC[NH2+]CC1 ZINC001235433337 1099032549 /nfs/dbraw/zinc/03/25/49/1099032549.db2.gz TVCZVUONHJMXOW-UHFFFAOYSA-N 2 1 316.445 3.008 20 10 DGCDMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccc(N2CCCC2)cc1 ZINC001235694729 1099132046 /nfs/dbraw/zinc/13/20/46/1099132046.db2.gz RTFZTVNNYVVCIO-SFHVURJKSA-N 2 1 301.478 3.251 20 10 DGCDMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985529 1099310032 /nfs/dbraw/zinc/31/00/32/1099310032.db2.gz CTICOXQLMXHYDZ-LPHOPBHVSA-N 2 1 312.388 3.121 20 10 DGCDMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985529 1099310037 /nfs/dbraw/zinc/31/00/37/1099310037.db2.gz CTICOXQLMXHYDZ-LPHOPBHVSA-N 2 1 312.388 3.121 20 10 DGCDMP CN(C)c1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c2ccccc21 ZINC001236203136 1099460338 /nfs/dbraw/zinc/46/03/38/1099460338.db2.gz VPZSJSBSLALTPW-HXUWFJFHSA-N 2 1 311.473 3.480 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c2ccccc21 ZINC001236203136 1099460345 /nfs/dbraw/zinc/46/03/45/1099460345.db2.gz VPZSJSBSLALTPW-HXUWFJFHSA-N 2 1 311.473 3.480 20 10 DGCDMP C[N@H+](Cc1ccc(C(F)(F)F)cc1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216745 1099474683 /nfs/dbraw/zinc/47/46/83/1099474683.db2.gz MGPVWOLVLADABC-OLZOCXBDSA-N 2 1 302.340 3.113 20 10 DGCDMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236216745 1099474686 /nfs/dbraw/zinc/47/46/86/1099474686.db2.gz MGPVWOLVLADABC-OLZOCXBDSA-N 2 1 302.340 3.113 20 10 DGCDMP C[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219704 1099478699 /nfs/dbraw/zinc/47/86/99/1099478699.db2.gz XMXDJTIPSNXEIQ-OALUTQOASA-N 2 1 313.489 3.087 20 10 DGCDMP C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219704 1099478706 /nfs/dbraw/zinc/47/87/06/1099478706.db2.gz XMXDJTIPSNXEIQ-OALUTQOASA-N 2 1 313.489 3.087 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236935237 1099882957 /nfs/dbraw/zinc/88/29/57/1099882957.db2.gz GUVAOLVNYZGGDX-MRXNPFEDSA-N 2 1 319.468 3.200 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC34CCCC4)c(F)c2)CC1 ZINC001236934125 1099883073 /nfs/dbraw/zinc/88/30/73/1099883073.db2.gz CYXINYQHVLNMNA-UHFFFAOYSA-N 2 1 317.452 3.096 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237386753 1100102588 /nfs/dbraw/zinc/10/25/88/1100102588.db2.gz AFZKSIAWZYIISU-AZUAARDMSA-N 2 1 313.489 3.251 20 10 DGCDMP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238066682 1100349348 /nfs/dbraw/zinc/34/93/48/1100349348.db2.gz OGTRQPWLNAMXQY-INIZCTEOSA-N 2 1 316.376 3.196 20 10 DGCDMP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238066682 1100349353 /nfs/dbraw/zinc/34/93/53/1100349353.db2.gz OGTRQPWLNAMXQY-INIZCTEOSA-N 2 1 316.376 3.196 20 10 DGCDMP COc1cc(O)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1Cl ZINC001206563451 1103789180 /nfs/dbraw/zinc/78/91/80/1103789180.db2.gz CVAALRCPTBMBGZ-MRXNPFEDSA-N 2 1 312.841 3.005 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246919301 1104737035 /nfs/dbraw/zinc/73/70/35/1104737035.db2.gz GXOOZZWTIBOAMD-IZZQQSIFSA-N 2 1 301.478 3.248 20 10 DGCDMP CCC[C@@H](CC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001649176284 1105483673 /nfs/dbraw/zinc/48/36/73/1105483673.db2.gz ZTYPMKVBEXMVHY-MRXNPFEDSA-N 2 1 307.457 3.246 20 10 DGCDMP CC[C@H](C)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320498116 1107026807 /nfs/dbraw/zinc/02/68/07/1107026807.db2.gz QYEVYZOUEVLFRV-HNNXBMFYSA-N 2 1 307.457 3.055 20 10 DGCDMP CC[C@H](C)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320498116 1107026821 /nfs/dbraw/zinc/02/68/21/1107026821.db2.gz QYEVYZOUEVLFRV-HNNXBMFYSA-N 2 1 307.457 3.055 20 10 DGCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323322670 1107934807 /nfs/dbraw/zinc/93/48/07/1107934807.db2.gz MMNMTTXORSQUFL-IBGZPJMESA-N 2 1 315.505 3.451 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323322670 1107934817 /nfs/dbraw/zinc/93/48/17/1107934817.db2.gz MMNMTTXORSQUFL-IBGZPJMESA-N 2 1 315.505 3.451 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323322670 1107934821 /nfs/dbraw/zinc/93/48/21/1107934821.db2.gz MMNMTTXORSQUFL-IBGZPJMESA-N 2 1 315.505 3.451 20 10 DGCDMP C[C@@H]([N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)(C)C ZINC001324725243 1108443205 /nfs/dbraw/zinc/44/32/05/1108443205.db2.gz RNQDUQQRTOGRNL-OAHLLOKOSA-N 2 1 321.484 3.444 20 10 DGCDMP C[C@@H]([N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)(C)C ZINC001324725243 1108443211 /nfs/dbraw/zinc/44/32/11/1108443211.db2.gz RNQDUQQRTOGRNL-OAHLLOKOSA-N 2 1 321.484 3.444 20 10 DGCDMP CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319707754 1108602882 /nfs/dbraw/zinc/60/28/82/1108602882.db2.gz XSRWGKHNYBYMFY-RDJZCZTQSA-N 2 1 319.468 3.198 20 10 DGCDMP CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319707754 1108602889 /nfs/dbraw/zinc/60/28/89/1108602889.db2.gz XSRWGKHNYBYMFY-RDJZCZTQSA-N 2 1 319.468 3.198 20 10 DGCDMP CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319707754 1108602894 /nfs/dbraw/zinc/60/28/94/1108602894.db2.gz XSRWGKHNYBYMFY-RDJZCZTQSA-N 2 1 319.468 3.198 20 10 DGCDMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000164616168 432050606 /nfs/dbraw/zinc/05/06/06/432050606.db2.gz SBEIMSPLOCYLSE-OAHLLOKOSA-N 2 1 300.450 3.389 20 10 DGCDMP CCN(C)c1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000268911686 432146175 /nfs/dbraw/zinc/14/61/75/432146175.db2.gz ZAVGWPWOBRCQRY-HNNXBMFYSA-N 2 1 300.450 3.389 20 10 DGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000268911688 432147540 /nfs/dbraw/zinc/14/75/40/432147540.db2.gz ZAVGWPWOBRCQRY-OAHLLOKOSA-N 2 1 300.450 3.389 20 10 DGCDMP COc1cccc(C[N@@H+](C)Cc2ncc(C)c(OC)c2C)c1O ZINC000183784714 432324771 /nfs/dbraw/zinc/32/47/71/432324771.db2.gz RFZFDJWTDYTSSF-UHFFFAOYSA-N 2 1 316.401 3.053 20 10 DGCDMP COc1cccc(CN(C)Cc2ncc(C)c(OC)c2C)c1O ZINC000183784714 432324777 /nfs/dbraw/zinc/32/47/77/432324777.db2.gz RFZFDJWTDYTSSF-UHFFFAOYSA-N 2 1 316.401 3.053 20 10 DGCDMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C)cc1O ZINC000280233403 433020531 /nfs/dbraw/zinc/02/05/31/433020531.db2.gz VKSXAKOCNDAMPZ-AEFFLSMTSA-N 2 1 320.477 3.242 20 10 DGCDMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725849943 575931593 /nfs/dbraw/zinc/93/15/93/575931593.db2.gz AKMPFMYXBNTMFR-UHFFFAOYSA-N 2 1 307.397 3.354 20 10 DGCDMP COc1cc(C)cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1O ZINC000894179867 618725072 /nfs/dbraw/zinc/72/50/72/618725072.db2.gz HYUKMXIFFCLVKI-OAHLLOKOSA-N 2 1 320.477 3.311 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1C[NH3+] ZINC000904412074 619920686 /nfs/dbraw/zinc/92/06/86/619920686.db2.gz PEZOXMNYTGUUFV-FUHWJXTLSA-N 2 1 301.478 3.094 20 10 DGCDMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000151911404 620480488 /nfs/dbraw/zinc/48/04/88/620480488.db2.gz LAHKDTXWTDTJPZ-HNNXBMFYSA-N 2 1 307.457 3.418 20 10 DGCDMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921519875 620896513 /nfs/dbraw/zinc/89/65/13/620896513.db2.gz QDBJJJWWTQTVOC-UHFFFAOYSA-N 2 1 302.462 3.222 20 10 DGCDMP CN(C)c1cc(F)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1F ZINC000862334520 621574895 /nfs/dbraw/zinc/57/48/95/621574895.db2.gz OUNOKWVAUBBNOT-UHFFFAOYSA-N 2 1 323.431 3.091 20 10 DGCDMP CN(C)c1cc(F)c(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1F ZINC000862334520 621574898 /nfs/dbraw/zinc/57/48/98/621574898.db2.gz OUNOKWVAUBBNOT-UHFFFAOYSA-N 2 1 323.431 3.091 20 10 DGCDMP COc1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756422730 621637656 /nfs/dbraw/zinc/63/76/56/621637656.db2.gz NLWKZURQECCJSI-OWCLPIDISA-N 2 1 320.477 3.419 20 10 DGCDMP CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000129210190 625559019 /nfs/dbraw/zinc/55/90/19/625559019.db2.gz OHDGHQDPSOXACX-QGZVFWFLSA-N 2 1 319.468 3.342 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000129210190 625559025 /nfs/dbraw/zinc/55/90/25/625559025.db2.gz OHDGHQDPSOXACX-QGZVFWFLSA-N 2 1 319.468 3.342 20 10 DGCDMP CCOc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(O)c1 ZINC000769483179 622532245 /nfs/dbraw/zinc/53/22/45/622532245.db2.gz NPJMSJCKLSFAPY-INIZCTEOSA-N 2 1 306.450 3.097 20 10 DGCDMP CCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(O)c1 ZINC000769483179 622532246 /nfs/dbraw/zinc/53/22/46/622532246.db2.gz NPJMSJCKLSFAPY-INIZCTEOSA-N 2 1 306.450 3.097 20 10 DGCDMP CCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(O)c1 ZINC000769483179 622532248 /nfs/dbraw/zinc/53/22/48/622532248.db2.gz NPJMSJCKLSFAPY-INIZCTEOSA-N 2 1 306.450 3.097 20 10 DGCDMP CCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1 ZINC000773757067 623068572 /nfs/dbraw/zinc/06/85/72/623068572.db2.gz YIFRJURBCFGZNN-LPHOPBHVSA-N 2 1 303.494 3.447 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000773757067 623068579 /nfs/dbraw/zinc/06/85/79/623068579.db2.gz YIFRJURBCFGZNN-LPHOPBHVSA-N 2 1 303.494 3.447 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000773757067 623068589 /nfs/dbraw/zinc/06/85/89/623068589.db2.gz YIFRJURBCFGZNN-LPHOPBHVSA-N 2 1 303.494 3.447 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)cc2)CC1 ZINC000775630587 623299803 /nfs/dbraw/zinc/29/98/03/623299803.db2.gz MHSAWJHTKRBFJB-HXUWFJFHSA-N 2 1 324.472 3.104 20 10 DGCDMP CC[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775654239 623304307 /nfs/dbraw/zinc/30/43/07/623304307.db2.gz JKYMZOQIPFGBCC-KRWDZBQOSA-N 2 1 301.478 3.060 20 10 DGCDMP CC(C)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CC1 ZINC000775656787 623305909 /nfs/dbraw/zinc/30/59/09/623305909.db2.gz MQURUXWNWLQAMI-UHFFFAOYSA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775663846 623308212 /nfs/dbraw/zinc/30/82/12/623308212.db2.gz FHCTYSUPFBYFAJ-KRWDZBQOSA-N 2 1 301.478 3.060 20 10 DGCDMP Cc1cccc(O)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000876810521 623711902 /nfs/dbraw/zinc/71/19/02/623711902.db2.gz ANJPUINYTUSPRM-MAUKXSAKSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1cccc(O)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000876810521 623711905 /nfs/dbraw/zinc/71/19/05/623711905.db2.gz ANJPUINYTUSPRM-MAUKXSAKSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1cccc(O)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000876810521 623711910 /nfs/dbraw/zinc/71/19/10/623711910.db2.gz ANJPUINYTUSPRM-MAUKXSAKSA-N 2 1 300.446 3.149 20 10 DGCDMP CCOc1cccc(C[NH+]2CCC(CC)([NH+](C)C)CC2)c1O ZINC000877690108 623993827 /nfs/dbraw/zinc/99/38/27/623993827.db2.gz NGYYKWSBLSVRDW-UHFFFAOYSA-N 2 1 306.450 3.097 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815070933 627621937 /nfs/dbraw/zinc/62/19/37/627621937.db2.gz APJVSZIONUVRRC-APWZRJJASA-N 2 1 303.494 3.223 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000815070933 627621938 /nfs/dbraw/zinc/62/19/38/627621938.db2.gz APJVSZIONUVRRC-APWZRJJASA-N 2 1 303.494 3.223 20 10 DGCDMP Cc1ccc([C@H](C)N2CCc3sc(CN)nc3C2)c(O)c1C ZINC000925751551 627787477 /nfs/dbraw/zinc/78/74/77/627787477.db2.gz NSTXAYMUJVGMKQ-LBPRGKRZSA-N 2 1 317.458 3.044 20 10 DGCDMP CN1CCCc2cc(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)ccc21 ZINC000817900034 627955914 /nfs/dbraw/zinc/95/59/14/627955914.db2.gz JSTQKOPMTQWSJL-RBUKOAKNSA-N 2 1 307.441 3.303 20 10 DGCDMP C[C@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000817957251 627973856 /nfs/dbraw/zinc/97/38/56/627973856.db2.gz KEGYKEIEVKDNGW-PXNSSMCTSA-N 2 1 323.484 3.312 20 10 DGCDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817959863 627975633 /nfs/dbraw/zinc/97/56/33/627975633.db2.gz JSBXDQTZNBWJAZ-DNVCBOLYSA-N 2 1 301.478 3.455 20 10 DGCDMP CC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1O ZINC000817969739 627978474 /nfs/dbraw/zinc/97/84/74/627978474.db2.gz ZBLOJKWNRWOGPM-KRWDZBQOSA-N 2 1 300.377 3.375 20 10 DGCDMP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccc(C(F)(F)F)c1O ZINC000817981212 627982462 /nfs/dbraw/zinc/98/24/62/627982462.db2.gz HFFVWXZZIIRSRZ-DCAQKATOSA-N 2 1 302.340 3.189 20 10 DGCDMP Cc1cc(Cl)cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1O ZINC000818431970 628022603 /nfs/dbraw/zinc/02/26/03/628022603.db2.gz YOSJBJMTJICLGU-CYBMUJFWSA-N 2 1 308.853 3.318 20 10 DGCDMP C[C@H]1CC2(C[N@H+]1C/C=C/c1ccc(N(C)C)cc1)CC[NH2+]CC2 ZINC000818431706 628022698 /nfs/dbraw/zinc/02/26/98/628022698.db2.gz RIHCJXNPGNPKAD-BDUNBXCCSA-N 2 1 313.489 3.230 20 10 DGCDMP C[C@@H]1C[C@H]([NH+](C)C/C=C/c2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000835026368 629828300 /nfs/dbraw/zinc/82/83/00/629828300.db2.gz RYKOAQRJASQUJP-HVMFBIMJSA-N 2 1 301.478 3.180 20 10 DGCDMP C[C@@H]1C[C@H]([NH+](C)C/C=C/c2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000835026368 629828306 /nfs/dbraw/zinc/82/83/06/629828306.db2.gz RYKOAQRJASQUJP-HVMFBIMJSA-N 2 1 301.478 3.180 20 10 DGCDMP C[C@@H]1C[C@H]([N@H+](C)C/C=C/c2ccc(N(C)C)cc2)CC[NH+]1C ZINC000835026368 629828309 /nfs/dbraw/zinc/82/83/09/629828309.db2.gz RYKOAQRJASQUJP-HVMFBIMJSA-N 2 1 301.478 3.180 20 10 DGCDMP C[C@@H]1C[C@H]([N@@H+](C)C/C=C/c2ccc(N(C)C)cc2)CC[NH+]1C ZINC000835026368 629828312 /nfs/dbraw/zinc/82/83/12/629828312.db2.gz RYKOAQRJASQUJP-HVMFBIMJSA-N 2 1 301.478 3.180 20 10 DGCDMP CN(C)c1ccc(/C=C/CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000835053150 629837465 /nfs/dbraw/zinc/83/74/65/629837465.db2.gz KUDHNRZZTGNBMC-NOKHBTLWSA-N 2 1 313.489 3.323 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000835053150 629837476 /nfs/dbraw/zinc/83/74/76/629837476.db2.gz KUDHNRZZTGNBMC-NOKHBTLWSA-N 2 1 313.489 3.323 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000835053150 629837480 /nfs/dbraw/zinc/83/74/80/629837480.db2.gz KUDHNRZZTGNBMC-NOKHBTLWSA-N 2 1 313.489 3.323 20 10 DGCDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054459 629838552 /nfs/dbraw/zinc/83/85/52/629838552.db2.gz VTHZOHJBQCIHMV-VAQJZUQRSA-N 2 1 301.478 3.038 20 10 DGCDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054459 629838557 /nfs/dbraw/zinc/83/85/57/629838557.db2.gz VTHZOHJBQCIHMV-VAQJZUQRSA-N 2 1 301.478 3.038 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054459 629838558 /nfs/dbraw/zinc/83/85/58/629838558.db2.gz VTHZOHJBQCIHMV-VAQJZUQRSA-N 2 1 301.478 3.038 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054459 629838563 /nfs/dbraw/zinc/83/85/63/629838563.db2.gz VTHZOHJBQCIHMV-VAQJZUQRSA-N 2 1 301.478 3.038 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000840892565 630373828 /nfs/dbraw/zinc/37/38/28/630373828.db2.gz BANNPEGDYXNGQR-JZXOWHBKSA-N 2 1 303.494 3.064 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000840892565 630373830 /nfs/dbraw/zinc/37/38/30/630373830.db2.gz BANNPEGDYXNGQR-JZXOWHBKSA-N 2 1 303.494 3.064 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000840893561 630373935 /nfs/dbraw/zinc/37/39/35/630373935.db2.gz LLJQKYUDALDNRL-INIZCTEOSA-N 2 1 315.505 3.208 20 10 DGCDMP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(Br)cc(C)c1O ZINC000841028660 630397983 /nfs/dbraw/zinc/39/79/83/630397983.db2.gz GHUFQUMGHDKAIZ-CYBMUJFWSA-N 2 1 315.255 3.070 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000841087456 630405990 /nfs/dbraw/zinc/40/59/90/630405990.db2.gz NWNXDBPYONRKDA-CFPAGDMOSA-N 2 1 313.489 3.230 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000841087458 630406006 /nfs/dbraw/zinc/40/60/06/630406006.db2.gz NWNXDBPYONRKDA-WYTZPYIFSA-N 2 1 313.489 3.230 20 10 DGCDMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1O ZINC000842922004 630593540 /nfs/dbraw/zinc/59/35/40/630593540.db2.gz ULWUNGSJXZFXSK-WDYCEAGBSA-N 2 1 310.441 3.388 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843044784 630607516 /nfs/dbraw/zinc/60/75/16/630607516.db2.gz JFTAFKNSBIQHNR-ICSRJNTNSA-N 2 1 315.505 3.497 20 10 DGCDMP CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000843051707 630608796 /nfs/dbraw/zinc/60/87/96/630608796.db2.gz KSAYTYBGHVUEKG-QFBILLFUSA-N 2 1 303.494 3.482 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CCC([NH3+])CC1 ZINC000843056112 630609374 /nfs/dbraw/zinc/60/93/74/630609374.db2.gz ZUZVXFLUHUFDBZ-UHFFFAOYSA-N 2 1 301.478 3.379 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000843125224 630616206 /nfs/dbraw/zinc/61/62/06/630616206.db2.gz OKYAZNJCUAGJPP-QLGSUFQJSA-N 2 1 313.489 3.087 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000843126594 630616706 /nfs/dbraw/zinc/61/67/06/630616706.db2.gz LBFZVPHFGSBUKC-CALCHBBNSA-N 2 1 319.468 3.103 20 10 DGCDMP COc1cc(Cl)cc(C[NH2+]CCC[N@@H+](C)CC(C)C)c1O ZINC000845997118 631204925 /nfs/dbraw/zinc/20/49/25/631204925.db2.gz UWFSMNCAFFRAPL-UHFFFAOYSA-N 2 1 314.857 3.122 20 10 DGCDMP COc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000846140367 631211698 /nfs/dbraw/zinc/21/16/98/631211698.db2.gz PKGMKHAJJDLPHR-OWCLPIDISA-N 2 1 320.477 3.419 20 10 DGCDMP CCc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1O ZINC000848889388 631773493 /nfs/dbraw/zinc/77/34/93/631773493.db2.gz JIEQAMGYPBGSLF-MRXNPFEDSA-N 2 1 302.462 3.118 20 10 DGCDMP CCc1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1O ZINC000848889388 631773498 /nfs/dbraw/zinc/77/34/98/631773498.db2.gz JIEQAMGYPBGSLF-MRXNPFEDSA-N 2 1 302.462 3.118 20 10 DGCDMP CCc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1O ZINC000848889388 631773500 /nfs/dbraw/zinc/77/35/00/631773500.db2.gz JIEQAMGYPBGSLF-MRXNPFEDSA-N 2 1 302.462 3.118 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1F ZINC000849350310 631900182 /nfs/dbraw/zinc/90/01/82/631900182.db2.gz NLLXWFJMVBRSAW-QGZVFWFLSA-N 2 1 319.468 3.103 20 10 DGCDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792948085 660996675 /nfs/dbraw/zinc/99/66/75/660996675.db2.gz WFDASIXHGVFPGE-GFCCVEGCSA-N 2 1 317.399 3.201 20 10 DGCDMP C[N@H+](Cc1cc2c(cc1O)CCCC2)CC1CC[NH+](C)CC1 ZINC000160144759 655523514 /nfs/dbraw/zinc/52/35/14/655523514.db2.gz LPANBCFHLFXSLD-UHFFFAOYSA-N 2 1 302.462 3.045 20 10 DGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC000164624046 658939699 /nfs/dbraw/zinc/93/96/99/658939699.db2.gz QQFCNDVOSPAYRZ-APWZRJJASA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC000164624046 658939700 /nfs/dbraw/zinc/93/97/00/658939700.db2.gz QQFCNDVOSPAYRZ-APWZRJJASA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CC[C@@H]21 ZINC000164624046 658939701 /nfs/dbraw/zinc/93/97/01/658939701.db2.gz QQFCNDVOSPAYRZ-APWZRJJASA-N 2 1 310.441 3.462 20 10 DGCDMP C[N@@H+](CCC[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccccc1 ZINC000381800245 685159880 /nfs/dbraw/zinc/15/98/80/685159880.db2.gz SFRKKIRVMHKPAX-GOSISDBHSA-N 2 1 310.441 3.491 20 10 DGCDMP CCC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC[NH2+]CC1 ZINC001577526878 1191906828 /nfs/dbraw/zinc/90/68/28/1191906828.db2.gz ICOREBCCBHVXLW-UHFFFAOYSA-N 2 1 300.805 3.149 20 10 DGCDMP C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001620785452 1191956765 /nfs/dbraw/zinc/95/67/65/1191956765.db2.gz ZXISTRVOJUWSPI-JCNLHEQBSA-N 2 1 319.468 3.246 20 10 DGCDMP CC(C)C([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)C ZINC001620853268 1192459004 /nfs/dbraw/zinc/45/90/04/1192459004.db2.gz UQQIMPUUHKAQKP-UHFFFAOYSA-N 2 1 321.484 3.348 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001333893526 1178691969 /nfs/dbraw/zinc/69/19/69/1178691969.db2.gz YXQHTUTXEIEHOA-BJLQDIEVSA-N 2 1 315.505 3.223 20 10 DGCDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(N)cc2)C1 ZINC001334753949 1178792138 /nfs/dbraw/zinc/79/21/38/1178792138.db2.gz KBWPDRMYWWFJJA-FUHWJXTLSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N)cc2)C1 ZINC001334753949 1178792144 /nfs/dbraw/zinc/79/21/44/1178792144.db2.gz KBWPDRMYWWFJJA-FUHWJXTLSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N)cc2)C1 ZINC001334753949 1178792147 /nfs/dbraw/zinc/79/21/47/1178792147.db2.gz KBWPDRMYWWFJJA-FUHWJXTLSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334753949 1178792151 /nfs/dbraw/zinc/79/21/51/1178792151.db2.gz KBWPDRMYWWFJJA-FUHWJXTLSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334753949 1178792154 /nfs/dbraw/zinc/79/21/54/1178792154.db2.gz KBWPDRMYWWFJJA-FUHWJXTLSA-N 2 1 301.478 3.355 20 10 DGCDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1c(C)cc(OC)cc1O ZINC001462199977 1182922738 /nfs/dbraw/zinc/92/27/38/1182922738.db2.gz PBWSJMYKYFKFDT-UHFFFAOYSA-N 2 1 308.466 3.263 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC001643584403 1195036247 /nfs/dbraw/zinc/03/62/47/1195036247.db2.gz DDCDSYGTPWYLPN-UHFFFAOYSA-N 2 1 324.472 3.250 20 10 DGCDMP CC(C)C(C)(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001650964082 1195399039 /nfs/dbraw/zinc/39/90/39/1195399039.db2.gz NNJWKLBLVCOCEN-UHFFFAOYSA-N 2 1 321.484 3.349 20 10 DGCDMP CC(C)[NH+](CCC[NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC001657364277 1196133438 /nfs/dbraw/zinc/13/34/38/1196133438.db2.gz DBYJFASVHQJMDM-UHFFFAOYSA-N 2 1 309.473 3.490 20 10 DGCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(OCC)c2O)CC1 ZINC001203617208 1084440409 /nfs/dbraw/zinc/44/04/09/1084440409.db2.gz LXIDGCFFHGXOJW-UHFFFAOYSA-N 2 1 320.477 3.487 20 10 DGCDMP Oc1ccccc1C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001203551949 1090754768 /nfs/dbraw/zinc/75/47/68/1090754768.db2.gz UOTMTYOUNIYUMO-UHFFFAOYSA-N 2 1 300.446 3.233 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CCC([NH+](C)C)CC2)c2ccccc21 ZINC001204233279 1090930280 /nfs/dbraw/zinc/93/02/80/1090930280.db2.gz PNPWPEHZYAROGS-UHFFFAOYSA-N 2 1 311.473 3.432 20 10 DGCDMP Cc1cccc(C[N@@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001204848723 1091047563 /nfs/dbraw/zinc/04/75/63/1091047563.db2.gz RTRMRNDKEBFMHJ-UHFFFAOYSA-N 2 1 309.457 3.037 20 10 DGCDMP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@H]21 ZINC001138220673 1091120245 /nfs/dbraw/zinc/12/02/45/1091120245.db2.gz MAMSWYIXGVPVLI-AZUAARDMSA-N 2 1 313.489 3.203 20 10 DGCDMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@H]21 ZINC001138220673 1091120249 /nfs/dbraw/zinc/12/02/49/1091120249.db2.gz MAMSWYIXGVPVLI-AZUAARDMSA-N 2 1 313.489 3.203 20 10 DGCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001205289612 1091167623 /nfs/dbraw/zinc/16/76/23/1091167623.db2.gz ZPHMLIFBIXUMSG-CQSZACIVSA-N 2 1 302.340 3.114 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1O ZINC001205592777 1091269366 /nfs/dbraw/zinc/26/93/66/1091269366.db2.gz YEPUIFIXBRHVTJ-HNNXBMFYSA-N 2 1 300.805 3.007 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1C[NH3+] ZINC001205616828 1091282357 /nfs/dbraw/zinc/28/23/57/1091282357.db2.gz HBWSTUWBUBEBGY-PKOBYXMFSA-N 2 1 315.505 3.484 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@@H](C)CC2)cc(C[NH+](C)C)c1O ZINC001139254597 1091501543 /nfs/dbraw/zinc/50/15/43/1091501543.db2.gz JBHCVKCUOSIZCV-CQSZACIVSA-N 2 1 306.450 3.084 20 10 DGCDMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@H]1F ZINC001206201816 1091531837 /nfs/dbraw/zinc/53/18/37/1091531837.db2.gz YZWAOVUGQYUFLD-MSOLQXFVSA-N 2 1 314.404 3.320 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206294054 1091565545 /nfs/dbraw/zinc/56/55/45/1091565545.db2.gz IZLQRZGPCOFVQL-LJQANCHMSA-N 2 1 303.494 3.484 20 10 DGCDMP COc1cc(N(C)C)ccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206598472 1091684941 /nfs/dbraw/zinc/68/49/41/1091684941.db2.gz KJNMCGFLOKYOED-QGZVFWFLSA-N 2 1 319.493 3.114 20 10 DGCDMP CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001336893592 1094776519 /nfs/dbraw/zinc/77/65/19/1094776519.db2.gz LQMUNZSZHICJQT-QGZVFWFLSA-N 2 1 319.468 3.342 20 10 DGCDMP CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001336893592 1094776524 /nfs/dbraw/zinc/77/65/24/1094776524.db2.gz LQMUNZSZHICJQT-QGZVFWFLSA-N 2 1 319.468 3.342 20 10 DGCDMP CCC1([NH+]2CCCCC2)CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001337838765 1095112493 /nfs/dbraw/zinc/11/24/93/1095112493.db2.gz SWUAVCBJHXQOKC-UHFFFAOYSA-N 2 1 301.478 3.499 20 10 DGCDMP Oc1cccc(F)c1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161585 1095467230 /nfs/dbraw/zinc/46/72/30/1095467230.db2.gz PULRAIPWFVZVHY-SFHVURJKSA-N 2 1 306.425 3.277 20 10 DGCDMP Oc1cccc(F)c1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161585 1095467234 /nfs/dbraw/zinc/46/72/34/1095467234.db2.gz PULRAIPWFVZVHY-SFHVURJKSA-N 2 1 306.425 3.277 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1O ZINC001222321209 1095550789 /nfs/dbraw/zinc/55/07/89/1095550789.db2.gz RZGXWVMKPLHZEL-KRWDZBQOSA-N 2 1 308.853 3.462 20 10 DGCDMP Oc1cc(Cl)c(F)cc1C[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222461365 1095624840 /nfs/dbraw/zinc/62/48/40/1095624840.db2.gz QWAMBZAAZSKLAQ-UHFFFAOYSA-N 2 1 312.816 3.150 20 10 DGCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C)n(-c4ccccc4)c3C)C[C@@H]2C1 ZINC001137858956 1095769382 /nfs/dbraw/zinc/76/93/82/1095769382.db2.gz BSDFJHXTBZRNMR-BGYRXZFFSA-N 2 1 323.484 3.478 20 10 DGCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C)n(-c4ccccc4)c3C)C[C@@H]2C1 ZINC001137858956 1095769391 /nfs/dbraw/zinc/76/93/91/1095769391.db2.gz BSDFJHXTBZRNMR-BGYRXZFFSA-N 2 1 323.484 3.478 20 10 DGCDMP Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(C)n1-c1ccccc1 ZINC001137859106 1095770259 /nfs/dbraw/zinc/77/02/59/1095770259.db2.gz ITXIMQVHEVQRAM-TZIWHRDSSA-N 2 1 323.484 3.478 20 10 DGCDMP Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(C)n1-c1ccccc1 ZINC001137859106 1095770267 /nfs/dbraw/zinc/77/02/67/1095770267.db2.gz ITXIMQVHEVQRAM-TZIWHRDSSA-N 2 1 323.484 3.478 20 10 DGCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)ccc4ccccc43)C[C@@H]2C1 ZINC001231589327 1097785143 /nfs/dbraw/zinc/78/51/43/1097785143.db2.gz GMLNFKGSRNZSGR-CALCHBBNSA-N 2 1 310.441 3.319 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)C[C@@H]2C1 ZINC001231589327 1097785147 /nfs/dbraw/zinc/78/51/47/1097785147.db2.gz GMLNFKGSRNZSGR-CALCHBBNSA-N 2 1 310.441 3.319 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)C[C@@H]2C1 ZINC001231589327 1097785153 /nfs/dbraw/zinc/78/51/53/1097785153.db2.gz GMLNFKGSRNZSGR-CALCHBBNSA-N 2 1 310.441 3.319 20 10 DGCDMP Cc1cccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1O ZINC001231593512 1097787552 /nfs/dbraw/zinc/78/75/52/1097787552.db2.gz IUVDXCDMAXYPSP-UHFFFAOYSA-N 2 1 306.425 3.099 20 10 DGCDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(N(C)C)cc2O)CC1 ZINC001232839567 1098149108 /nfs/dbraw/zinc/14/91/08/1098149108.db2.gz PXQVMDUKGWVUKJ-UHFFFAOYSA-N 2 1 319.493 3.010 20 10 DGCDMP Cc1cc(F)cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1O ZINC001235153127 1098839541 /nfs/dbraw/zinc/83/95/41/1098839541.db2.gz FCOAVAIQAUAEFX-QGZVFWFLSA-N 2 1 306.425 3.194 20 10 DGCDMP Oc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235157986 1098844048 /nfs/dbraw/zinc/84/40/48/1098844048.db2.gz SWASZJGZKQUGQT-MRXNPFEDSA-N 2 1 308.853 3.400 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235158120 1098845323 /nfs/dbraw/zinc/84/53/23/1098845323.db2.gz USUSHCBESAIEFJ-IBGZPJMESA-N 2 1 301.478 3.107 20 10 DGCDMP Oc1ccc(F)c(F)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235237362 1098911869 /nfs/dbraw/zinc/91/18/69/1098911869.db2.gz AOHGIDNBPGMRFN-HNNXBMFYSA-N 2 1 310.388 3.025 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3=CCCCC3)cc2F)CC1 ZINC001178823678 1098942930 /nfs/dbraw/zinc/94/29/30/1098942930.db2.gz KBEHXWHDTPVZTM-UHFFFAOYSA-N 2 1 317.452 3.168 20 10 DGCDMP Cc1cc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c(C)n1-c1ccccc1 ZINC001235339401 1098962020 /nfs/dbraw/zinc/96/20/20/1098962020.db2.gz FYSXUDAKCJWXLH-QGZVFWFLSA-N 2 1 309.457 3.135 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)c1 ZINC001235400229 1098995715 /nfs/dbraw/zinc/99/57/15/1098995715.db2.gz CRIYVJBBLBAXAM-PKOBYXMFSA-N 2 1 320.452 3.213 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235403692 1099001452 /nfs/dbraw/zinc/00/14/52/1099001452.db2.gz LVFIAPALVAMNIJ-OALUTQOASA-N 2 1 319.468 3.056 20 10 DGCDMP c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001235673926 1099115932 /nfs/dbraw/zinc/11/59/32/1099115932.db2.gz JBEMVVCQRIKWNB-NRFANRHFSA-N 2 1 321.468 3.433 20 10 DGCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C(C)(C)C)cc3O)C2)C1 ZINC001235680602 1099124507 /nfs/dbraw/zinc/12/45/07/1099124507.db2.gz WGJNBZOURUOOQG-IBGZPJMESA-N 2 1 302.462 3.217 20 10 DGCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C(C)(C)C)cc3O)C2)C1 ZINC001235680602 1099124513 /nfs/dbraw/zinc/12/45/13/1099124513.db2.gz WGJNBZOURUOOQG-IBGZPJMESA-N 2 1 302.462 3.217 20 10 DGCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001235868922 1099226967 /nfs/dbraw/zinc/22/69/67/1099226967.db2.gz WRFXXROJOIWPCC-QUCCMNQESA-N 2 1 313.489 3.251 20 10 DGCDMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001235928544 1099264481 /nfs/dbraw/zinc/26/44/81/1099264481.db2.gz AGXYRZQOCFUJAN-IEBWSBKVSA-N 2 1 309.457 3.135 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC001235928614 1099265012 /nfs/dbraw/zinc/26/50/12/1099265012.db2.gz BCWLVAGFOVWCQI-RBUKOAKNSA-N 2 1 309.457 3.135 20 10 DGCDMP C[N@@H+](Cc1cc(Cl)c(Cl)cc1O)C[C@H]1CCC[NH2+]C1 ZINC001235958212 1099289174 /nfs/dbraw/zinc/28/91/74/1099289174.db2.gz ZBQHSEYDTJXMSJ-JTQLQIEISA-N 2 1 303.233 3.130 20 10 DGCDMP C[N@H+](Cc1cc(Cl)c(Cl)cc1O)C[C@H]1CCC[NH2+]C1 ZINC001235958212 1099289185 /nfs/dbraw/zinc/28/91/85/1099289185.db2.gz ZBQHSEYDTJXMSJ-JTQLQIEISA-N 2 1 303.233 3.130 20 10 DGCDMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985539 1099311878 /nfs/dbraw/zinc/31/18/78/1099311878.db2.gz CTICOXQLMXHYDZ-VQIMIIECSA-N 2 1 312.388 3.121 20 10 DGCDMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985539 1099311890 /nfs/dbraw/zinc/31/18/90/1099311890.db2.gz CTICOXQLMXHYDZ-VQIMIIECSA-N 2 1 312.388 3.121 20 10 DGCDMP CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C1CC[NH2+]CC1 ZINC001236184758 1099455235 /nfs/dbraw/zinc/45/52/35/1099455235.db2.gz NXBXQADSZHVBMN-UHFFFAOYSA-N 2 1 316.367 3.375 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)CCC[NH2+]C2CCCCC2)cc1 ZINC001236190290 1099456646 /nfs/dbraw/zinc/45/66/46/1099456646.db2.gz SPSXOWOVLPMWKU-UHFFFAOYSA-N 2 1 303.494 3.497 20 10 DGCDMP CN(C)c1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c2ccccc21 ZINC001236203135 1099461065 /nfs/dbraw/zinc/46/10/65/1099461065.db2.gz VPZSJSBSLALTPW-FQEVSTJZSA-N 2 1 311.473 3.480 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c2ccccc21 ZINC001236203135 1099461071 /nfs/dbraw/zinc/46/10/71/1099461071.db2.gz VPZSJSBSLALTPW-FQEVSTJZSA-N 2 1 311.473 3.480 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236274051 1099515381 /nfs/dbraw/zinc/51/53/81/1099515381.db2.gz BSBFAGCCEMROLV-UHFFFAOYSA-N 2 1 323.484 3.420 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236281092 1099516712 /nfs/dbraw/zinc/51/67/12/1099516712.db2.gz YOAFZXBSNPLBPU-UHFFFAOYSA-N 2 1 323.484 3.420 20 10 DGCDMP CC[N@H+](Cc1ccc(N(C)C)c2ccccc12)C[C@H]1CC[NH2+]C1 ZINC001236408965 1099581867 /nfs/dbraw/zinc/58/18/67/1099581867.db2.gz QRIPZGIAFKDOCY-INIZCTEOSA-N 2 1 311.473 3.337 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236598245 1099695210 /nfs/dbraw/zinc/69/52/10/1099695210.db2.gz JETZEWLCAAYVIU-SFHVURJKSA-N 2 1 313.489 3.251 20 10 DGCDMP CC(C)c1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c(O)c1 ZINC001236601616 1099697798 /nfs/dbraw/zinc/69/77/98/1099697798.db2.gz NRAYWXZZDCHRIM-HNNXBMFYSA-N 2 1 302.462 3.480 20 10 DGCDMP CCc1ccc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236661264 1099730413 /nfs/dbraw/zinc/73/04/13/1099730413.db2.gz AVPLMRGCLTXPQI-SFHVURJKSA-N 2 1 302.462 3.451 20 10 DGCDMP CCc1ccc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236661264 1099730419 /nfs/dbraw/zinc/73/04/19/1099730419.db2.gz AVPLMRGCLTXPQI-SFHVURJKSA-N 2 1 302.462 3.451 20 10 DGCDMP CCC[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CC[NH2+]C1 ZINC001236835697 1099824517 /nfs/dbraw/zinc/82/45/17/1099824517.db2.gz OYRIUWRVPVQGMT-IBGZPJMESA-N 2 1 315.505 3.498 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c2ccccc21 ZINC001237384424 1100103777 /nfs/dbraw/zinc/10/37/77/1100103777.db2.gz WRJGEBHPUWNRHG-YLJYHZDGSA-N 2 1 323.484 3.480 20 10 DGCDMP Cn1c[nH+]c2cc(NCc3ccc(OCC[NH+](C)C)cc3)ccc21 ZINC001201114848 1102490259 /nfs/dbraw/zinc/49/02/59/1102490259.db2.gz NDOZLSDMATYWSB-UHFFFAOYSA-N 2 1 324.428 3.126 20 10 DGCDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1O)Cc1ccccc12 ZINC001275266656 1104698282 /nfs/dbraw/zinc/69/82/82/1104698282.db2.gz CBDBOGIRMFWYJG-UHFFFAOYSA-N 2 1 322.452 3.371 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246924024 1104738022 /nfs/dbraw/zinc/73/80/22/1104738022.db2.gz LKOQGSCZAIANCX-WOJBJXKFSA-N 2 1 315.505 3.497 20 10 DGCDMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001254501031 1106083131 /nfs/dbraw/zinc/08/31/31/1106083131.db2.gz PELCACYYHRIBBB-GOSISDBHSA-N 2 1 301.478 3.251 20 10 DGCDMP CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC001320876920 1107171306 /nfs/dbraw/zinc/17/13/06/1107171306.db2.gz UAFNTGMATNLLCN-VQIMIIECSA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC001320876920 1107171317 /nfs/dbraw/zinc/17/13/17/1107171317.db2.gz UAFNTGMATNLLCN-VQIMIIECSA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC001320876920 1107171329 /nfs/dbraw/zinc/17/13/29/1107171329.db2.gz UAFNTGMATNLLCN-VQIMIIECSA-N 2 1 303.494 3.305 20 10 DGCDMP C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001321101278 1107249806 /nfs/dbraw/zinc/24/98/06/1107249806.db2.gz QRFLBRLSGNFSFO-HZPDHXFCSA-N 2 1 319.468 3.103 20 10 DGCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323322673 1107935800 /nfs/dbraw/zinc/93/58/00/1107935800.db2.gz MMNMTTXORSQUFL-LJQANCHMSA-N 2 1 315.505 3.451 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323322673 1107935804 /nfs/dbraw/zinc/93/58/04/1107935804.db2.gz MMNMTTXORSQUFL-LJQANCHMSA-N 2 1 315.505 3.451 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323322673 1107935816 /nfs/dbraw/zinc/93/58/16/1107935816.db2.gz MMNMTTXORSQUFL-LJQANCHMSA-N 2 1 315.505 3.451 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)cc1 ZINC001308171946 1111390299 /nfs/dbraw/zinc/39/02/99/1111390299.db2.gz WYTAEAAVSYPOBQ-BGYRXZFFSA-N 2 1 313.489 3.060 20 10 DGCDMP CN(C)c1ccc(C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)cc1 ZINC001308171946 1111390304 /nfs/dbraw/zinc/39/03/04/1111390304.db2.gz WYTAEAAVSYPOBQ-BGYRXZFFSA-N 2 1 313.489 3.060 20 10 DGCDMP CN(C)c1ccc(C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)cc1 ZINC001308171946 1111390307 /nfs/dbraw/zinc/39/03/07/1111390307.db2.gz WYTAEAAVSYPOBQ-BGYRXZFFSA-N 2 1 313.489 3.060 20 10 DGCDMP CCOc1cccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1O ZINC000236926958 202075259 /nfs/dbraw/zinc/07/52/59/202075259.db2.gz RUIRVNCFWCHWHV-OAHLLOKOSA-N 2 1 306.450 3.145 20 10 DGCDMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccc(F)cc1[O-] ZINC000286277446 131228292 /nfs/dbraw/zinc/22/82/92/131228292.db2.gz VPBYOVMTPDWHKJ-WBMJQRKESA-N 2 1 305.397 3.413 20 10 DGCDMP CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c(O)c1 ZINC000093639403 431915570 /nfs/dbraw/zinc/91/55/70/431915570.db2.gz JFGBYZKUDBPBRK-YJBOKZPZSA-N 2 1 320.477 3.343 20 10 DGCDMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c(O)c1 ZINC000093639403 431915572 /nfs/dbraw/zinc/91/55/72/431915572.db2.gz JFGBYZKUDBPBRK-YJBOKZPZSA-N 2 1 320.477 3.343 20 10 DGCDMP CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c(O)c1 ZINC000093639403 431915574 /nfs/dbraw/zinc/91/55/74/431915574.db2.gz JFGBYZKUDBPBRK-YJBOKZPZSA-N 2 1 320.477 3.343 20 10 DGCDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093770026 431917295 /nfs/dbraw/zinc/91/72/95/431917295.db2.gz KFZZGCWVJMMSDK-LJQANCHMSA-N 2 1 315.505 3.451 20 10 DGCDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093770026 431917297 /nfs/dbraw/zinc/91/72/97/431917297.db2.gz KFZZGCWVJMMSDK-LJQANCHMSA-N 2 1 315.505 3.451 20 10 DGCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000093770026 431917300 /nfs/dbraw/zinc/91/73/00/431917300.db2.gz KFZZGCWVJMMSDK-LJQANCHMSA-N 2 1 315.505 3.451 20 10 DGCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152401307 432330643 /nfs/dbraw/zinc/33/06/43/432330643.db2.gz OIAZLITVAMVKEV-CVEARBPZSA-N 2 1 301.478 3.278 20 10 DGCDMP Cc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000192927299 432430578 /nfs/dbraw/zinc/43/05/78/432430578.db2.gz QPWZGIRNNVAHEI-GOSISDBHSA-N 2 1 310.441 3.312 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000192848123 432420491 /nfs/dbraw/zinc/42/04/91/432420491.db2.gz YPPKSZXMOBCMMM-ALOPSCKCSA-N 2 1 319.468 3.387 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000192848123 432420495 /nfs/dbraw/zinc/42/04/95/432420495.db2.gz YPPKSZXMOBCMMM-ALOPSCKCSA-N 2 1 319.468 3.387 20 10 DGCDMP [O-]c1ccc(Cl)cc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000238063131 432811165 /nfs/dbraw/zinc/81/11/65/432811165.db2.gz HYZLHGFNAJYKOY-UHFFFAOYSA-N 2 1 317.820 3.199 20 10 DGCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000367687393 434554716 /nfs/dbraw/zinc/55/47/16/434554716.db2.gz NBMQULYEDZCNLH-CQSZACIVSA-N 2 1 308.853 3.209 20 10 DGCDMP CCCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(O)c1 ZINC000105442769 332251965 /nfs/dbraw/zinc/25/19/65/332251965.db2.gz SKMGNUOMQXZUPW-CQSZACIVSA-N 2 1 317.433 3.112 20 10 DGCDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)CC1 ZINC000179564221 528254085 /nfs/dbraw/zinc/25/40/85/528254085.db2.gz TZFCJAODVGYNAK-QGZVFWFLSA-N 2 1 302.462 3.336 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1F ZINC000740004808 574917830 /nfs/dbraw/zinc/91/78/30/574917830.db2.gz WRUKIZKUDDLTKO-QGZVFWFLSA-N 2 1 321.484 3.492 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1F ZINC000740002021 574918011 /nfs/dbraw/zinc/91/80/11/574918011.db2.gz KXLJHGNZRMWNLA-UHFFFAOYSA-N 2 1 309.473 3.349 20 10 DGCDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1C ZINC000853093984 620667913 /nfs/dbraw/zinc/66/79/13/620667913.db2.gz VTIVCRUMGUTVQJ-GOSISDBHSA-N 2 1 302.462 3.215 20 10 DGCDMP Cc1cc(O)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1C ZINC000853093059 620667469 /nfs/dbraw/zinc/66/74/69/620667469.db2.gz AONGTRMGSCMCSO-QGZVFWFLSA-N 2 1 302.462 3.221 20 10 DGCDMP Cc1cc(O)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1C ZINC000853093058 620667521 /nfs/dbraw/zinc/66/75/21/620667521.db2.gz AONGTRMGSCMCSO-KRWDZBQOSA-N 2 1 302.462 3.221 20 10 DGCDMP C[NH+]1CCC(C[N@@H+](Cc2ccco2)Cc2ccccc2O)CC1 ZINC000891393146 617790948 /nfs/dbraw/zinc/79/09/48/617790948.db2.gz AAXIHCZAFWFUHQ-UHFFFAOYSA-N 2 1 314.429 3.329 20 10 DGCDMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2O)cc1 ZINC000894766322 618452603 /nfs/dbraw/zinc/45/26/03/618452603.db2.gz PWBJHYGQBAHHNT-UHFFFAOYSA-N 2 1 320.383 3.364 20 10 DGCDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2O)cc1 ZINC000894766322 618452608 /nfs/dbraw/zinc/45/26/08/618452608.db2.gz PWBJHYGQBAHHNT-UHFFFAOYSA-N 2 1 320.383 3.364 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840917996 618529921 /nfs/dbraw/zinc/52/99/21/618529921.db2.gz XTOUBNMTDXREJJ-LPHOPBHVSA-N 2 1 303.494 3.223 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840917996 618529925 /nfs/dbraw/zinc/52/99/25/618529925.db2.gz XTOUBNMTDXREJJ-LPHOPBHVSA-N 2 1 303.494 3.223 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840917996 618529929 /nfs/dbraw/zinc/52/99/29/618529929.db2.gz XTOUBNMTDXREJJ-LPHOPBHVSA-N 2 1 303.494 3.223 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1F ZINC000841100816 620450653 /nfs/dbraw/zinc/45/06/53/620450653.db2.gz KXAPIIJVYUAAKJ-GDBMZVCRSA-N 2 1 307.457 3.089 20 10 DGCDMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1N(C)C ZINC000923365136 621178915 /nfs/dbraw/zinc/17/89/15/621178915.db2.gz UALFGMBVYOKIOP-IEBWSBKVSA-N 2 1 301.478 3.025 20 10 DGCDMP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000839182139 621344041 /nfs/dbraw/zinc/34/40/41/621344041.db2.gz LBLYVAFRGFNKJG-LLVKDONJSA-N 2 1 300.805 3.006 20 10 DGCDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000839182139 621344044 /nfs/dbraw/zinc/34/40/44/621344044.db2.gz LBLYVAFRGFNKJG-LLVKDONJSA-N 2 1 300.805 3.006 20 10 DGCDMP Cc1cc(C)c(O)c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000754720247 621527637 /nfs/dbraw/zinc/52/76/37/621527637.db2.gz OGZLPEPHVWDUSO-UHFFFAOYSA-N 2 1 302.462 3.459 20 10 DGCDMP COc1cc(C)cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1O ZINC000754720881 621527874 /nfs/dbraw/zinc/52/78/74/621527874.db2.gz UVYOZDKQSWKSNP-UHFFFAOYSA-N 2 1 318.461 3.160 20 10 DGCDMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756434014 621638296 /nfs/dbraw/zinc/63/82/96/621638296.db2.gz SWALXXVXFWHSDJ-RISCZKNCSA-N 2 1 303.381 3.264 20 10 DGCDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000863651835 621693852 /nfs/dbraw/zinc/69/38/52/621693852.db2.gz NFZREWSRNOWHAW-BGYRXZFFSA-N 2 1 313.489 3.108 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768461949 622458138 /nfs/dbraw/zinc/45/81/38/622458138.db2.gz IAKRUVJDHQJXTO-UHFFFAOYSA-N 2 1 313.445 3.298 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768461949 622458140 /nfs/dbraw/zinc/45/81/40/622458140.db2.gz IAKRUVJDHQJXTO-UHFFFAOYSA-N 2 1 313.445 3.298 20 10 DGCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768466747 622458755 /nfs/dbraw/zinc/45/87/55/622458755.db2.gz WAGCSHAJXUTMCU-MRXNPFEDSA-N 2 1 316.489 3.435 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000770350974 622624016 /nfs/dbraw/zinc/62/40/16/622624016.db2.gz HJPYXURMEHTWAI-UYAOXDASSA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000770350974 622624021 /nfs/dbraw/zinc/62/40/21/622624021.db2.gz HJPYXURMEHTWAI-UYAOXDASSA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000770350974 622624025 /nfs/dbraw/zinc/62/40/25/622624025.db2.gz HJPYXURMEHTWAI-UYAOXDASSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1O ZINC000873236157 623087028 /nfs/dbraw/zinc/08/70/28/623087028.db2.gz VHDRCZTYEQCRPQ-SFHVURJKSA-N 2 1 314.404 3.418 20 10 DGCDMP CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775638592 623300859 /nfs/dbraw/zinc/30/08/59/623300859.db2.gz LQZAGPVOCIVGMN-SFHVURJKSA-N 2 1 301.478 3.203 20 10 DGCDMP C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775702751 623316150 /nfs/dbraw/zinc/31/61/50/623316150.db2.gz WLTHQWKBLWLTPL-IAGOWNOFSA-N 2 1 301.478 3.059 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000777469907 623529159 /nfs/dbraw/zinc/52/91/59/623529159.db2.gz PHYQCCFWWSNBLX-QFBILLFUSA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000777469907 623529161 /nfs/dbraw/zinc/52/91/61/623529161.db2.gz PHYQCCFWWSNBLX-QFBILLFUSA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000777469907 623529166 /nfs/dbraw/zinc/52/91/66/623529166.db2.gz PHYQCCFWWSNBLX-QFBILLFUSA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000777469907 623529169 /nfs/dbraw/zinc/52/91/69/623529169.db2.gz PHYQCCFWWSNBLX-QFBILLFUSA-N 2 1 303.494 3.305 20 10 DGCDMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(O)c1 ZINC000877190148 623822559 /nfs/dbraw/zinc/82/25/59/623822559.db2.gz XIOSAQSYPRZERD-NVXWUHKLSA-N 2 1 302.462 3.443 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)cccc1O ZINC000877529331 623926249 /nfs/dbraw/zinc/92/62/49/623926249.db2.gz ZRSDFKMFWXJSIL-UHFFFAOYSA-N 2 1 301.434 3.372 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)cccc1O ZINC000877529331 623926255 /nfs/dbraw/zinc/92/62/55/623926255.db2.gz ZRSDFKMFWXJSIL-UHFFFAOYSA-N 2 1 301.434 3.372 20 10 DGCDMP CCOc1ccc(C[NH+]2CCC(CC)([NH+](C)C)CC2)c(O)c1 ZINC000877689878 623992981 /nfs/dbraw/zinc/99/29/81/623992981.db2.gz KBLRJDDPXZMFIL-UHFFFAOYSA-N 2 1 306.450 3.097 20 10 DGCDMP COc1ccc(O)c(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000809738626 626944493 /nfs/dbraw/zinc/94/44/93/626944493.db2.gz CERHPGQFWUAOAH-UHFFFAOYSA-N 2 1 314.429 3.094 20 10 DGCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815054716 627619942 /nfs/dbraw/zinc/61/99/42/627619942.db2.gz KXBDHFSLDUXVSK-SFHVURJKSA-N 2 1 303.494 3.225 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000815057649 627620100 /nfs/dbraw/zinc/62/01/00/627620100.db2.gz WHZDQAACGPYWBQ-WMZOPIPTSA-N 2 1 303.494 3.366 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000815057649 627620103 /nfs/dbraw/zinc/62/01/03/627620103.db2.gz WHZDQAACGPYWBQ-WMZOPIPTSA-N 2 1 303.494 3.366 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000815057649 627620105 /nfs/dbraw/zinc/62/01/05/627620105.db2.gz WHZDQAACGPYWBQ-WMZOPIPTSA-N 2 1 303.494 3.366 20 10 DGCDMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000925781607 627794471 /nfs/dbraw/zinc/79/44/71/627794471.db2.gz BDHDXVRXQHPEMR-ATZDWAIDSA-N 2 1 310.441 3.264 20 10 DGCDMP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817940150 627968965 /nfs/dbraw/zinc/96/89/65/627968965.db2.gz GCNRLAFHGZHPAA-SNVBAGLBSA-N 2 1 302.340 3.061 20 10 DGCDMP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817940149 627969039 /nfs/dbraw/zinc/96/90/39/627969039.db2.gz GCNRLAFHGZHPAA-JTQLQIEISA-N 2 1 302.340 3.061 20 10 DGCDMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000817953759 627973379 /nfs/dbraw/zinc/97/33/79/627973379.db2.gz QPHMZUOBZOHNJS-LLVKDONJSA-N 2 1 304.356 3.450 20 10 DGCDMP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(C(F)(F)F)c1O ZINC000817976522 627981174 /nfs/dbraw/zinc/98/11/74/627981174.db2.gz NAQIJCQFDSMEIO-MFKMUULPSA-N 2 1 314.351 3.204 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000818431415 628022492 /nfs/dbraw/zinc/02/24/92/628022492.db2.gz LPTINVMIAXSUEB-KRWDZBQOSA-N 2 1 315.505 3.497 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1Cl ZINC000825935506 628811659 /nfs/dbraw/zinc/81/16/59/628811659.db2.gz WIDBZDOGJUHZRH-BBRMVZONSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000825935506 628811663 /nfs/dbraw/zinc/81/16/63/628811663.db2.gz WIDBZDOGJUHZRH-BBRMVZONSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1Cl ZINC000825935506 628811665 /nfs/dbraw/zinc/81/16/65/628811665.db2.gz WIDBZDOGJUHZRH-BBRMVZONSA-N 2 1 308.853 3.270 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000835049258 629835335 /nfs/dbraw/zinc/83/53/35/629835335.db2.gz PIUQKFIJCGGTAM-SUQGKYDKSA-N 2 1 301.478 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000835049258 629835343 /nfs/dbraw/zinc/83/53/43/629835343.db2.gz PIUQKFIJCGGTAM-SUQGKYDKSA-N 2 1 301.478 3.182 20 10 DGCDMP CC(C)[N@H+]1CC[C@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835052289 629837199 /nfs/dbraw/zinc/83/71/99/629837199.db2.gz BZSDSOCFRKMSGC-DUMMIQTOSA-N 2 1 301.478 3.086 20 10 DGCDMP Cc1cc(O)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000840906582 630375914 /nfs/dbraw/zinc/37/59/14/630375914.db2.gz WJMOVNMZMOAZLP-AGUYFDCRSA-N 2 1 308.853 3.459 20 10 DGCDMP C[C@H]1C[C@H](C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC[NH2+]1 ZINC000841004172 630394125 /nfs/dbraw/zinc/39/41/25/630394125.db2.gz BNODEOJMHACPAJ-DOTOQJQBSA-N 2 1 301.478 3.105 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1C[NH3+] ZINC000841100273 630407906 /nfs/dbraw/zinc/40/79/06/630407906.db2.gz AQYPQJARHGPTTP-FUHWJXTLSA-N 2 1 301.478 3.094 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843044011 630607472 /nfs/dbraw/zinc/60/74/72/630607472.db2.gz FYGKEOANWVZRNV-IUWYBMQSSA-N 2 1 313.489 3.230 20 10 DGCDMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046677 630608262 /nfs/dbraw/zinc/60/82/62/630608262.db2.gz YWAADUWUUYTZKT-VQIMIIECSA-N 2 1 301.478 3.379 20 10 DGCDMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000843046677 630608264 /nfs/dbraw/zinc/60/82/64/630608264.db2.gz YWAADUWUUYTZKT-VQIMIIECSA-N 2 1 301.478 3.379 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126107 630616326 /nfs/dbraw/zinc/61/63/26/630616326.db2.gz GOBXQBFZQUKBRU-KBPBESRZSA-N 2 1 308.853 3.257 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000843125076 630616411 /nfs/dbraw/zinc/61/64/11/630616411.db2.gz MZGDMNLHJRNFMB-KBPBESRZSA-N 2 1 308.853 3.176 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000843125077 630616474 /nfs/dbraw/zinc/61/64/74/630616474.db2.gz MZGDMNLHJRNFMB-KGLIPLIRSA-N 2 1 308.853 3.176 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000843125078 630616663 /nfs/dbraw/zinc/61/66/63/630616663.db2.gz MZGDMNLHJRNFMB-UONOGXRCSA-N 2 1 308.853 3.176 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000843128285 630617230 /nfs/dbraw/zinc/61/72/30/630617230.db2.gz VQNBZNBQIBCDCR-SJORKVTESA-N 2 1 302.462 3.221 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350835 631901459 /nfs/dbraw/zinc/90/14/59/631901459.db2.gz YAUWGDOERRGRPQ-AWEZNQCLSA-N 2 1 308.853 3.257 20 10 DGCDMP CCOc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(O)c1 ZINC000849350797 631901582 /nfs/dbraw/zinc/90/15/82/631901582.db2.gz WSLJPAUVTOGLCP-MRXNPFEDSA-N 2 1 318.461 3.003 20 10 DGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3O)CCCC4)CC[C@@H]21 ZINC000160434403 655632569 /nfs/dbraw/zinc/63/25/69/655632569.db2.gz WSYMHDFXUPCKEP-MJGOQNOKSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)CC[C@@H]21 ZINC000160434403 655632570 /nfs/dbraw/zinc/63/25/70/655632570.db2.gz WSYMHDFXUPCKEP-MJGOQNOKSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCCC4)CC[C@@H]21 ZINC000160434403 655632572 /nfs/dbraw/zinc/63/25/72/655632572.db2.gz WSYMHDFXUPCKEP-MJGOQNOKSA-N 2 1 314.473 3.187 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000236677318 656113782 /nfs/dbraw/zinc/11/37/82/656113782.db2.gz LTISOUGZWPHBQU-PMACEKPBSA-N 2 1 313.489 3.393 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000236677318 656113784 /nfs/dbraw/zinc/11/37/84/656113784.db2.gz LTISOUGZWPHBQU-PMACEKPBSA-N 2 1 313.489 3.393 20 10 DGCDMP Oc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000179569329 659932984 /nfs/dbraw/zinc/93/29/84/659932984.db2.gz ZYSXGRYISJEKCD-QGZVFWFLSA-N 2 1 302.462 3.480 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000378951312 685146235 /nfs/dbraw/zinc/14/62/35/685146235.db2.gz HTXCXOPWJQOVRI-PKOBYXMFSA-N 2 1 301.478 3.249 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001333893537 1178691588 /nfs/dbraw/zinc/69/15/88/1178691588.db2.gz YXQHTUTXEIEHOA-CMKODMSKSA-N 2 1 315.505 3.223 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1C ZINC001335238716 1178877647 /nfs/dbraw/zinc/87/76/47/1178877647.db2.gz TZPTXAZMEZYFCB-JZXOWHBKSA-N 2 1 302.462 3.171 20 10 DGCDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@H]2C1 ZINC001352114254 1180298552 /nfs/dbraw/zinc/29/85/52/1180298552.db2.gz ZKNRPPKWHDEAAS-XJKCOSOUSA-N 2 1 308.853 3.208 20 10 DGCDMP Oc1ccc(F)c(Cl)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742050 1085889902 /nfs/dbraw/zinc/88/99/02/1085889902.db2.gz GTRRDHFUVJGEGV-UHFFFAOYSA-N 2 1 312.816 3.150 20 10 DGCDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(C)(C)C)ccc1O ZINC001276445500 1090911554 /nfs/dbraw/zinc/91/15/54/1090911554.db2.gz NRYMVUOMESPWPY-ALOPSCKCSA-N 2 1 302.462 3.405 20 10 DGCDMP CN1CCCc2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)ccc21 ZINC001204735342 1091025899 /nfs/dbraw/zinc/02/58/99/1091025899.db2.gz PSLPFPAMAUNGNN-UHFFFAOYSA-N 2 1 313.489 3.035 20 10 DGCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138220833 1091120415 /nfs/dbraw/zinc/12/04/15/1091120415.db2.gz PAJNYDCGUPTPBM-UYAOXDASSA-N 2 1 313.489 3.060 20 10 DGCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138220833 1091120419 /nfs/dbraw/zinc/12/04/19/1091120419.db2.gz PAJNYDCGUPTPBM-UYAOXDASSA-N 2 1 313.489 3.060 20 10 DGCDMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001205578513 1091264822 /nfs/dbraw/zinc/26/48/22/1091264822.db2.gz DQLAGXXWCYPYRM-CQSZACIVSA-N 2 1 321.223 3.352 20 10 DGCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001205578513 1091264826 /nfs/dbraw/zinc/26/48/26/1091264826.db2.gz DQLAGXXWCYPYRM-CQSZACIVSA-N 2 1 321.223 3.352 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)CC[C@H]1C[NH3+] ZINC001205626297 1091286268 /nfs/dbraw/zinc/28/62/68/1091286268.db2.gz FNAUXLQFRZFSPD-KGLIPLIRSA-N 2 1 309.885 3.213 20 10 DGCDMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817851 1091364156 /nfs/dbraw/zinc/36/41/56/1091364156.db2.gz RPXRHJOUSMIICY-QFBILLFUSA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817851 1091364166 /nfs/dbraw/zinc/36/41/66/1091364166.db2.gz RPXRHJOUSMIICY-QFBILLFUSA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001205904945 1091403316 /nfs/dbraw/zinc/40/33/16/1091403316.db2.gz YUAFNBPIKTXGIK-CVEARBPZSA-N 2 1 311.473 3.465 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2Cl)CCC[C@H]1C[NH3+] ZINC001206005646 1091445941 /nfs/dbraw/zinc/44/59/41/1091445941.db2.gz YXXUAPOUWMTZLR-KBPBESRZSA-N 2 1 309.885 3.213 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CCC[C@H]1C[NH3+] ZINC001206022802 1091455779 /nfs/dbraw/zinc/45/57/79/1091455779.db2.gz CUVSZEXGRMWJPI-GJZGRUSLSA-N 2 1 304.478 3.497 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CCC[C@@H]1C[NH3+] ZINC001206022803 1091455947 /nfs/dbraw/zinc/45/59/47/1091455947.db2.gz CUVSZEXGRMWJPI-HUUCEWRRSA-N 2 1 304.478 3.497 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139255242 1091501996 /nfs/dbraw/zinc/50/19/96/1091501996.db2.gz OMRLRZZXBLQKBE-CABCVRRESA-N 2 1 320.477 3.330 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206163893 1091516331 /nfs/dbraw/zinc/51/63/31/1091516331.db2.gz HGGDAETVBFKNTR-OALUTQOASA-N 2 1 315.436 3.355 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1 ZINC001206163893 1091516335 /nfs/dbraw/zinc/51/63/35/1091516335.db2.gz HGGDAETVBFKNTR-OALUTQOASA-N 2 1 315.436 3.355 20 10 DGCDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001206305247 1091570994 /nfs/dbraw/zinc/57/09/94/1091570994.db2.gz XDOKYUMUVOTWES-IBGZPJMESA-N 2 1 301.478 3.238 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1 ZINC001206541907 1091662104 /nfs/dbraw/zinc/66/21/04/1091662104.db2.gz NELFTDXUFAWRDT-IBGZPJMESA-N 2 1 303.494 3.484 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(O)c1 ZINC001206554153 1091667672 /nfs/dbraw/zinc/66/76/72/1091667672.db2.gz BDWMPMSSGCPJKV-IBGZPJMESA-N 2 1 319.493 3.189 20 10 DGCDMP CC(C)[N@@H+](Cc1ccc2c(c1)CCCN2C)[C@@H]1CCC[NH2+]CC1 ZINC001206591592 1091681331 /nfs/dbraw/zinc/68/13/31/1091681331.db2.gz TWAOLKNSVUFVAN-LJQANCHMSA-N 2 1 315.505 3.422 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)cc2)CC1 ZINC001140301093 1091818097 /nfs/dbraw/zinc/81/80/97/1091818097.db2.gz YTCJXPNOXHUSGZ-KDURUIRLSA-N 2 1 313.489 3.060 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC001140300426 1091818740 /nfs/dbraw/zinc/81/87/40/1091818740.db2.gz PHYVSRWKQBYTGH-KRWDZBQOSA-N 2 1 301.478 3.203 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(CF)C3)cc2)CC1 ZINC001140302645 1091819757 /nfs/dbraw/zinc/81/97/57/1091819757.db2.gz WTELZVKYNLLVMM-IBGZPJMESA-N 2 1 319.468 3.010 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CC(C)(C)C)cc2)CC1 ZINC001140304740 1091820640 /nfs/dbraw/zinc/82/06/40/1091820640.db2.gz ZWRRQMFUVLKCDE-UHFFFAOYSA-N 2 1 303.494 3.306 20 10 DGCDMP Cc1ccc(O)c(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001140623423 1091935274 /nfs/dbraw/zinc/93/52/74/1091935274.db2.gz RVIDFOPNEPZOIH-UHFFFAOYSA-N 2 1 306.425 3.099 20 10 DGCDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140952613 1092077502 /nfs/dbraw/zinc/07/75/02/1092077502.db2.gz ZIEFFKNYPUKZIR-UHFFFAOYSA-N 2 1 311.429 3.143 20 10 DGCDMP Cc1c(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc2n1C ZINC001276557125 1092204329 /nfs/dbraw/zinc/20/43/29/1092204329.db2.gz VSMUHPFBMHBPGF-FQEVSTJZSA-N 2 1 311.473 3.404 20 10 DGCDMP Cc1c(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1C ZINC001276557125 1092204342 /nfs/dbraw/zinc/20/43/42/1092204342.db2.gz VSMUHPFBMHBPGF-FQEVSTJZSA-N 2 1 311.473 3.404 20 10 DGCDMP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001276806130 1094992861 /nfs/dbraw/zinc/99/28/61/1094992861.db2.gz HFDBVPVOCJCUMA-LJQANCHMSA-N 2 1 318.461 3.017 20 10 DGCDMP COc1cc(C)c(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(O)c1 ZINC001276806130 1094992872 /nfs/dbraw/zinc/99/28/72/1094992872.db2.gz HFDBVPVOCJCUMA-LJQANCHMSA-N 2 1 318.461 3.017 20 10 DGCDMP COc1cc(C)c(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c(O)c1 ZINC001276806130 1094992881 /nfs/dbraw/zinc/99/28/81/1094992881.db2.gz HFDBVPVOCJCUMA-LJQANCHMSA-N 2 1 318.461 3.017 20 10 DGCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000316426120 1095173055 /nfs/dbraw/zinc/17/30/55/1095173055.db2.gz BETZFULSCWCIOO-FUHWJXTLSA-N 2 1 301.478 3.249 20 10 DGCDMP CC(C)[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001118564672 1096036747 /nfs/dbraw/zinc/03/67/47/1096036747.db2.gz DSZSIDZHBUUVPW-LJQANCHMSA-N 2 1 319.468 3.102 20 10 DGCDMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(N(C)C)cc1 ZINC001172112612 1097058642 /nfs/dbraw/zinc/05/86/42/1097058642.db2.gz YFAGQXNMNVMZKP-OYSPMZIOSA-N 2 1 301.478 3.419 20 10 DGCDMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC001172112612 1097058649 /nfs/dbraw/zinc/05/86/49/1097058649.db2.gz YFAGQXNMNVMZKP-OYSPMZIOSA-N 2 1 301.478 3.419 20 10 DGCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)C1 ZINC001233286920 1098275964 /nfs/dbraw/zinc/27/59/64/1098275964.db2.gz OPCLHGTXPWULAV-LJQANCHMSA-N 2 1 302.462 3.217 20 10 DGCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(C(C)(C)C)ccc3O)C2)C1 ZINC001233286920 1098275970 /nfs/dbraw/zinc/27/59/70/1098275970.db2.gz OPCLHGTXPWULAV-LJQANCHMSA-N 2 1 302.462 3.217 20 10 DGCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C2)C1 ZINC001233286920 1098275974 /nfs/dbraw/zinc/27/59/74/1098275974.db2.gz OPCLHGTXPWULAV-LJQANCHMSA-N 2 1 302.462 3.217 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1Cl ZINC001235041191 1098769167 /nfs/dbraw/zinc/76/91/67/1098769167.db2.gz YASNYIAPXWMDPF-KRWDZBQOSA-N 2 1 308.853 3.462 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)c1O ZINC001235041006 1098770040 /nfs/dbraw/zinc/77/00/40/1098770040.db2.gz WCGUKSWZWDZREK-QGZVFWFLSA-N 2 1 308.853 3.462 20 10 DGCDMP COc1cc(C)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(O)c1 ZINC001235157023 1098844193 /nfs/dbraw/zinc/84/41/93/1098844193.db2.gz PXGHGSDBIMKSGT-SFHVURJKSA-N 2 1 318.461 3.063 20 10 DGCDMP Cc1ccc(O)c(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235380386 1098987892 /nfs/dbraw/zinc/98/78/92/1098987892.db2.gz ONTGTXJLVHKCSG-CTNGQTDRSA-N 2 1 322.452 3.280 20 10 DGCDMP Nc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235385201 1098989439 /nfs/dbraw/zinc/98/94/39/1098989439.db2.gz UCNPIMPMHKQSPA-TZIWHRDSSA-N 2 1 321.468 3.022 20 10 DGCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001235868923 1099227956 /nfs/dbraw/zinc/22/79/56/1099227956.db2.gz WRFXXROJOIWPCC-UYAOXDASSA-N 2 1 313.489 3.251 20 10 DGCDMP Cc1cccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1O ZINC001235974579 1099304200 /nfs/dbraw/zinc/30/42/00/1099304200.db2.gz RRUQXQJRPFMCHO-UHFFFAOYSA-N 2 1 322.452 3.338 20 10 DGCDMP C[N@H+](Cc1cc(C(F)(F)F)ccc1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216407 1099471907 /nfs/dbraw/zinc/47/19/07/1099471907.db2.gz KFINROBZZRTBQD-STQMWFEESA-N 2 1 302.340 3.113 20 10 DGCDMP C[N@@H+](Cc1cc(C(F)(F)F)ccc1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216407 1099471910 /nfs/dbraw/zinc/47/19/10/1099471910.db2.gz KFINROBZZRTBQD-STQMWFEESA-N 2 1 302.340 3.113 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c2c1 ZINC001236215810 1099472427 /nfs/dbraw/zinc/47/24/27/1099472427.db2.gz IKEPUHHERFETQG-ZWKOTPCHSA-N 2 1 314.429 3.256 20 10 DGCDMP Cc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(O)c1 ZINC001236377251 1099565050 /nfs/dbraw/zinc/56/50/50/1099565050.db2.gz ZZMZRTOJQNCFIJ-MRXNPFEDSA-N 2 1 302.462 3.445 20 10 DGCDMP CCOc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(O)c1 ZINC001236459558 1099623438 /nfs/dbraw/zinc/62/34/38/1099623438.db2.gz UYQXCSLAOWHQTJ-UHFFFAOYSA-N 2 1 320.477 3.391 20 10 DGCDMP CC[NH+](CC)C1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236812876 1099803939 /nfs/dbraw/zinc/80/39/39/1099803939.db2.gz GMLQDPCHAFLZKV-UHFFFAOYSA-N 2 1 306.450 3.015 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c2ccccc21 ZINC001236817508 1099805960 /nfs/dbraw/zinc/80/59/60/1099805960.db2.gz CCFCBWGYYRBTCI-ZYSHUDEJSA-N 2 1 309.457 3.075 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237386758 1100103305 /nfs/dbraw/zinc/10/33/05/1100103305.db2.gz AFZKSIAWZYIISU-QUCCMNQESA-N 2 1 313.489 3.251 20 10 DGCDMP Cn1ccc2ccc(-c3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)cc21 ZINC001240573420 1101056087 /nfs/dbraw/zinc/05/60/87/1101056087.db2.gz ARJORMQBKBHUJK-UHFFFAOYSA-N 2 1 302.381 3.180 20 10 DGCDMP CC[C@](C)([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001327846034 1103741342 /nfs/dbraw/zinc/74/13/42/1103741342.db2.gz TZSNFNOKKUFBKZ-IBGZPJMESA-N 2 1 319.468 3.246 20 10 DGCDMP CCOc1cccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c1O ZINC001275271760 1104697738 /nfs/dbraw/zinc/69/77/38/1104697738.db2.gz XSNFIOUOKGVSPE-LJQANCHMSA-N 2 1 318.461 3.099 20 10 DGCDMP CCOc1cccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c1O ZINC001275271760 1104697743 /nfs/dbraw/zinc/69/77/43/1104697743.db2.gz XSNFIOUOKGVSPE-LJQANCHMSA-N 2 1 318.461 3.099 20 10 DGCDMP CCOc1cccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c1O ZINC001275271760 1104697749 /nfs/dbraw/zinc/69/77/49/1104697749.db2.gz XSNFIOUOKGVSPE-LJQANCHMSA-N 2 1 318.461 3.099 20 10 DGCDMP CCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC001320876918 1107172026 /nfs/dbraw/zinc/17/20/26/1107172026.db2.gz UAFNTGMATNLLCN-LPHOPBHVSA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC001320876918 1107172030 /nfs/dbraw/zinc/17/20/30/1107172030.db2.gz UAFNTGMATNLLCN-LPHOPBHVSA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC001320876918 1107172033 /nfs/dbraw/zinc/17/20/33/1107172033.db2.gz UAFNTGMATNLLCN-LPHOPBHVSA-N 2 1 303.494 3.305 20 10 DGCDMP CC(C)[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001323332312 1107938563 /nfs/dbraw/zinc/93/85/63/1107938563.db2.gz YEJGNLAYCHLJSB-KRWDZBQOSA-N 2 1 319.468 3.055 20 10 DGCDMP CC(C)[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001323332312 1107938568 /nfs/dbraw/zinc/93/85/68/1107938568.db2.gz YEJGNLAYCHLJSB-KRWDZBQOSA-N 2 1 319.468 3.055 20 10 DGCDMP CC(C)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001323332312 1107938574 /nfs/dbraw/zinc/93/85/74/1107938574.db2.gz YEJGNLAYCHLJSB-KRWDZBQOSA-N 2 1 319.468 3.055 20 10 DGCDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273559472 130136260 /nfs/dbraw/zinc/13/62/60/130136260.db2.gz HSXHJDZJWRICOC-SNVBAGLBSA-N 2 1 324.222 3.010 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683332 431916846 /nfs/dbraw/zinc/91/68/46/431916846.db2.gz ZUBSSYLRSLPKBH-GOSISDBHSA-N 2 1 301.478 3.060 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000270706115 432279441 /nfs/dbraw/zinc/27/94/41/432279441.db2.gz YXBFHHBNQBHKIK-UHFFFAOYSA-N 2 1 312.461 3.312 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000270706115 432279443 /nfs/dbraw/zinc/27/94/43/432279443.db2.gz YXBFHHBNQBHKIK-UHFFFAOYSA-N 2 1 312.461 3.312 20 10 DGCDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)[C@H](C)C1 ZINC000183515041 432298944 /nfs/dbraw/zinc/29/89/44/432298944.db2.gz KVLBRBOPCKJWIC-RYRKJORJSA-N 2 1 320.477 3.180 20 10 DGCDMP Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000192927281 432429918 /nfs/dbraw/zinc/42/99/18/432429918.db2.gz QPWZGIRNNVAHEI-SFHVURJKSA-N 2 1 310.441 3.312 20 10 DGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000178698574 432768735 /nfs/dbraw/zinc/76/87/35/432768735.db2.gz LPAXRYYTNDUZHG-GJZGRUSLSA-N 2 1 300.450 3.244 20 10 DGCDMP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(N(C)C)cc1 ZINC000278913157 432916657 /nfs/dbraw/zinc/91/66/57/432916657.db2.gz GZYALINIOSFROP-MAUKXSAKSA-N 2 1 312.461 3.252 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1O ZINC000368948954 434584848 /nfs/dbraw/zinc/58/48/48/434584848.db2.gz FXTATXUBLGVNJQ-UHFFFAOYSA-N 2 1 324.852 3.114 20 10 DGCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000185358133 534204756 /nfs/dbraw/zinc/20/47/56/534204756.db2.gz VRNFCQFVBSHSEP-GJZGRUSLSA-N 2 1 306.450 3.172 20 10 DGCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000179685208 528339606 /nfs/dbraw/zinc/33/96/06/528339606.db2.gz RYGLLKSNJUJXTG-UHFFFAOYSA-N 2 1 320.477 3.345 20 10 DGCDMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1C ZINC000750827077 575754075 /nfs/dbraw/zinc/75/40/75/575754075.db2.gz VJTVNYCWBRCLNJ-MLGOLLRUSA-N 2 1 322.424 3.039 20 10 DGCDMP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000853093189 620667485 /nfs/dbraw/zinc/66/74/85/620667485.db2.gz DMTUNGDMHHJGOZ-MRXNPFEDSA-N 2 1 318.461 3.003 20 10 DGCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853239391 620681053 /nfs/dbraw/zinc/68/10/53/620681053.db2.gz GODGBDYLXRZOSR-GOEBONIOSA-N 2 1 318.461 3.173 20 10 DGCDMP CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CC1CC[NH+](C)CC1 ZINC000891631091 617857756 /nfs/dbraw/zinc/85/77/56/617857756.db2.gz MRUDLQJTULQKSH-UHFFFAOYSA-N 2 1 303.494 3.305 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000840917994 618529757 /nfs/dbraw/zinc/52/97/57/618529757.db2.gz XTOUBNMTDXREJJ-APWZRJJASA-N 2 1 303.494 3.223 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000840917994 618529759 /nfs/dbraw/zinc/52/97/59/618529759.db2.gz XTOUBNMTDXREJJ-APWZRJJASA-N 2 1 303.494 3.223 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000840917994 618529761 /nfs/dbraw/zinc/52/97/61/618529761.db2.gz XTOUBNMTDXREJJ-APWZRJJASA-N 2 1 303.494 3.223 20 10 DGCDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2c(O)ccc3ccccc32)C1 ZINC000129226905 625560710 /nfs/dbraw/zinc/56/07/10/625560710.db2.gz AKRPREMIDIUEGI-APWZRJJASA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2c(O)ccc3ccccc32)C1 ZINC000129226905 625560718 /nfs/dbraw/zinc/56/07/18/625560718.db2.gz AKRPREMIDIUEGI-APWZRJJASA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2c(O)ccc3ccccc32)C1 ZINC000129226905 625560720 /nfs/dbraw/zinc/56/07/20/625560720.db2.gz AKRPREMIDIUEGI-APWZRJJASA-N 2 1 310.441 3.462 20 10 DGCDMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(N(C)C)cc1 ZINC000767349426 622392200 /nfs/dbraw/zinc/39/22/00/622392200.db2.gz SZSTUBPYMQGPPZ-LJQANCHMSA-N 2 1 303.494 3.447 20 10 DGCDMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(N(C)C)cc1 ZINC000767349426 622392202 /nfs/dbraw/zinc/39/22/02/622392202.db2.gz SZSTUBPYMQGPPZ-LJQANCHMSA-N 2 1 303.494 3.447 20 10 DGCDMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(N(C)C)cc1 ZINC000767349426 622392204 /nfs/dbraw/zinc/39/22/04/622392204.db2.gz SZSTUBPYMQGPPZ-LJQANCHMSA-N 2 1 303.494 3.447 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)cc1C ZINC000768445682 622456859 /nfs/dbraw/zinc/45/68/59/622456859.db2.gz IBNWETGDVBBHRC-QGZVFWFLSA-N 2 1 318.461 3.160 20 10 DGCDMP CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1O ZINC000769470055 622530949 /nfs/dbraw/zinc/53/09/49/622530949.db2.gz JIDRSGLZVGVYHW-ZBFHGGJFSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1O ZINC000769470055 622530951 /nfs/dbraw/zinc/53/09/51/622530951.db2.gz JIDRSGLZVGVYHW-ZBFHGGJFSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1O ZINC000769470055 622530952 /nfs/dbraw/zinc/53/09/52/622530952.db2.gz JIDRSGLZVGVYHW-ZBFHGGJFSA-N 2 1 306.450 3.096 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000770350964 622623324 /nfs/dbraw/zinc/62/33/24/622623324.db2.gz HJPYXURMEHTWAI-AZUAARDMSA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000770350964 622623331 /nfs/dbraw/zinc/62/33/31/622623331.db2.gz HJPYXURMEHTWAI-AZUAARDMSA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000770350964 622623335 /nfs/dbraw/zinc/62/33/35/622623335.db2.gz HJPYXURMEHTWAI-AZUAARDMSA-N 2 1 315.505 3.449 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1C(C)C ZINC000872725335 622960271 /nfs/dbraw/zinc/96/02/71/622960271.db2.gz RSLOWICQZYQYLT-MAUKXSAKSA-N 2 1 302.462 3.350 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1C(C)C ZINC000872725335 622960276 /nfs/dbraw/zinc/96/02/76/622960276.db2.gz RSLOWICQZYQYLT-MAUKXSAKSA-N 2 1 302.462 3.350 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1C(C)C ZINC000872725335 622960283 /nfs/dbraw/zinc/96/02/83/622960283.db2.gz RSLOWICQZYQYLT-MAUKXSAKSA-N 2 1 302.462 3.350 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000773752822 623067889 /nfs/dbraw/zinc/06/78/89/623067889.db2.gz KJMJYAYQJFNXDD-LJQANCHMSA-N 2 1 315.505 3.451 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873202521 623073248 /nfs/dbraw/zinc/07/32/48/623073248.db2.gz YDSCARGONNVIEE-UHFFFAOYSA-N 2 1 315.486 3.092 20 10 DGCDMP C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775650297 623305381 /nfs/dbraw/zinc/30/53/81/623305381.db2.gz YAOKGEUQKUUFNX-INIZCTEOSA-N 2 1 313.445 3.224 20 10 DGCDMP CC[C@@H](C)C[N@@H+](CC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775732577 623321256 /nfs/dbraw/zinc/32/12/56/623321256.db2.gz OYTNKJVBAKRNNM-QGZVFWFLSA-N 2 1 303.494 3.306 20 10 DGCDMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(O)c1 ZINC000877190149 623822628 /nfs/dbraw/zinc/82/26/28/623822628.db2.gz XIOSAQSYPRZERD-RDJZCZTQSA-N 2 1 302.462 3.443 20 10 DGCDMP CCC1([NH+]2CCCC2)CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000877673151 623987147 /nfs/dbraw/zinc/98/71/47/623987147.db2.gz ASIUSWKKKMJUJO-UHFFFAOYSA-N 2 1 318.461 3.241 20 10 DGCDMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000788692752 625244612 /nfs/dbraw/zinc/24/46/12/625244612.db2.gz PURYQPKLMQOKQM-NSHDSACASA-N 2 1 314.351 3.324 20 10 DGCDMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000788692752 625244635 /nfs/dbraw/zinc/24/46/35/625244635.db2.gz PURYQPKLMQOKQM-NSHDSACASA-N 2 1 314.351 3.324 20 10 DGCDMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(N(C)C)c(F)c1 ZINC000809749211 626946680 /nfs/dbraw/zinc/94/66/80/626946680.db2.gz CTOWQODEKBRKMW-UHFFFAOYSA-N 2 1 307.457 3.200 20 10 DGCDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N(C)C)c(F)c1 ZINC000809749211 626946682 /nfs/dbraw/zinc/94/66/82/626946682.db2.gz CTOWQODEKBRKMW-UHFFFAOYSA-N 2 1 307.457 3.200 20 10 DGCDMP CCC(CC)[N@@H+](CC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809787526 626953113 /nfs/dbraw/zinc/95/31/13/626953113.db2.gz GZZZUXIIXFAGDL-UHFFFAOYSA-N 2 1 303.494 3.449 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@@H]3C3CC3)cc2)CC1 ZINC000811513967 627285842 /nfs/dbraw/zinc/28/58/42/627285842.db2.gz XYSSTQNARPQMGT-IBGZPJMESA-N 2 1 313.489 3.059 20 10 DGCDMP C[NH+](C)CCC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816495033 627797363 /nfs/dbraw/zinc/79/73/63/627797363.db2.gz HVTXMAGSHUJISR-UHFFFAOYSA-N 2 1 314.832 3.348 20 10 DGCDMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1O ZINC000817946575 627970783 /nfs/dbraw/zinc/97/07/83/627970783.db2.gz ZWSKCESMLDWQRJ-ZJUUUORDSA-N 2 1 303.233 3.349 20 10 DGCDMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817945720 627970882 /nfs/dbraw/zinc/97/08/82/627970882.db2.gz KHTDIWDQOOKLFM-GHMZBOCLSA-N 2 1 302.340 3.061 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000824854940 628700420 /nfs/dbraw/zinc/70/04/20/628700420.db2.gz DRIOFFQUEOJCLE-AWEZNQCLSA-N 2 1 308.853 3.272 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000835026073 629828061 /nfs/dbraw/zinc/82/80/61/629828061.db2.gz PEFSTINFGKLVHO-UEKDZROGSA-N 2 1 313.489 3.184 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000835026073 629828064 /nfs/dbraw/zinc/82/80/64/629828064.db2.gz PEFSTINFGKLVHO-UEKDZROGSA-N 2 1 313.489 3.184 20 10 DGCDMP CCC[N@H+]1CC[C@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835034563 629830390 /nfs/dbraw/zinc/83/03/90/629830390.db2.gz BLNSVELDHAVOJA-DUMMIQTOSA-N 2 1 301.478 3.087 20 10 DGCDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000843056454 630609395 /nfs/dbraw/zinc/60/93/95/630609395.db2.gz KKWZEALIKIJVSM-LJQANCHMSA-N 2 1 303.494 3.482 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000843057391 630609594 /nfs/dbraw/zinc/60/95/94/630609594.db2.gz CXGVBKWHQQDRJB-WDSOQIARSA-N 2 1 301.478 3.092 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000843125079 630616302 /nfs/dbraw/zinc/61/63/02/630616302.db2.gz MZGDMNLHJRNFMB-ZIAGYGMSSA-N 2 1 308.853 3.176 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000843125729 630616746 /nfs/dbraw/zinc/61/67/46/630616746.db2.gz GKKMLMPQVDXSSV-MOPGFXCFSA-N 2 1 315.505 3.354 20 10 DGCDMP CCc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000848887997 631773031 /nfs/dbraw/zinc/77/30/31/631773031.db2.gz KBVDTRFPPDOHLW-INIZCTEOSA-N 2 1 302.462 3.262 20 10 DGCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CCC1 ZINC000793351276 661025746 /nfs/dbraw/zinc/02/57/46/661025746.db2.gz FOSPVZBJKIQYHR-UHFFFAOYSA-N 2 1 301.478 3.060 20 10 DGCDMP C[N@H+](CCC[NH2+]Cc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000237089708 657090593 /nfs/dbraw/zinc/09/05/93/657090593.db2.gz RTTKNBTUBXVMDI-UHFFFAOYSA-N 2 1 302.462 3.366 20 10 DGCDMP C[N@@H+](CCC[NH2+]Cc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000237089708 657090602 /nfs/dbraw/zinc/09/06/02/657090602.db2.gz RTTKNBTUBXVMDI-UHFFFAOYSA-N 2 1 302.462 3.366 20 10 DGCDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000245538313 662235533 /nfs/dbraw/zinc/23/55/33/662235533.db2.gz JUGXUYLLKPDOGL-HKUYNNGSSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000245538313 662235534 /nfs/dbraw/zinc/23/55/34/662235534.db2.gz JUGXUYLLKPDOGL-HKUYNNGSSA-N 2 1 314.473 3.187 20 10 DGCDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc3c(cc2O)CCCC3)C1 ZINC000245538313 662235536 /nfs/dbraw/zinc/23/55/36/662235536.db2.gz JUGXUYLLKPDOGL-HKUYNNGSSA-N 2 1 314.473 3.187 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000246028676 662245986 /nfs/dbraw/zinc/24/59/86/662245986.db2.gz ABJHBJQANGVAIB-QFBILLFUSA-N 2 1 303.494 3.353 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246741064 662273693 /nfs/dbraw/zinc/27/36/93/662273693.db2.gz OFYVKLGKVSSKBW-LPHOPBHVSA-N 2 1 314.473 3.458 20 10 DGCDMP Cc1cc(C)c(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246741064 662273695 /nfs/dbraw/zinc/27/36/95/662273695.db2.gz OFYVKLGKVSSKBW-LPHOPBHVSA-N 2 1 314.473 3.458 20 10 DGCDMP Cc1cc(C)c(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246741064 662273697 /nfs/dbraw/zinc/27/36/97/662273697.db2.gz OFYVKLGKVSSKBW-LPHOPBHVSA-N 2 1 314.473 3.458 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000093770678 662359764 /nfs/dbraw/zinc/35/97/64/662359764.db2.gz ZZBBBKFAKHSSRU-GOSISDBHSA-N 2 1 303.494 3.306 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000093770678 662359767 /nfs/dbraw/zinc/35/97/67/662359767.db2.gz ZZBBBKFAKHSSRU-GOSISDBHSA-N 2 1 303.494 3.306 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000093770678 662359768 /nfs/dbraw/zinc/35/97/68/662359768.db2.gz ZZBBBKFAKHSSRU-GOSISDBHSA-N 2 1 303.494 3.306 20 10 DGCDMP Oc1cccc2c1[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000383936770 685169265 /nfs/dbraw/zinc/16/92/65/685169265.db2.gz CYFVMAOFPWUYRU-IEBWSBKVSA-N 2 1 322.452 3.491 20 10 DGCDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(N)cc2)C1 ZINC001334753950 1178792209 /nfs/dbraw/zinc/79/22/09/1178792209.db2.gz KBWPDRMYWWFJJA-SJLPKXTDSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N)cc2)C1 ZINC001334753950 1178792213 /nfs/dbraw/zinc/79/22/13/1178792213.db2.gz KBWPDRMYWWFJJA-SJLPKXTDSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N)cc2)C1 ZINC001334753950 1178792216 /nfs/dbraw/zinc/79/22/16/1178792216.db2.gz KBWPDRMYWWFJJA-SJLPKXTDSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334753950 1178792219 /nfs/dbraw/zinc/79/22/19/1178792219.db2.gz KBWPDRMYWWFJJA-SJLPKXTDSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334753950 1178792222 /nfs/dbraw/zinc/79/22/22/1178792222.db2.gz KBWPDRMYWWFJJA-SJLPKXTDSA-N 2 1 301.478 3.355 20 10 DGCDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001473965237 1183839965 /nfs/dbraw/zinc/83/99/65/1183839965.db2.gz XRNIPOMWRLMOPT-GOSISDBHSA-N 2 1 301.478 3.108 20 10 DGCDMP CC(C)c1ccc(O)c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC001474646894 1183954699 /nfs/dbraw/zinc/95/46/99/1183954699.db2.gz YHONXMJCCDTKFI-SFHVURJKSA-N 2 1 320.477 3.058 20 10 DGCDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001560291569 1189306312 /nfs/dbraw/zinc/30/63/12/1189306312.db2.gz WQJSTSOVPWNIBX-GOSISDBHSA-N 2 1 301.478 3.108 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1F ZINC001560533939 1189337807 /nfs/dbraw/zinc/33/78/07/1189337807.db2.gz IVRKFKAEPMYTOT-QGZVFWFLSA-N 2 1 321.484 3.493 20 10 DGCDMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001647946736 1195267736 /nfs/dbraw/zinc/26/77/36/1195267736.db2.gz GVFVRELTYCHLMG-UHFFFAOYSA-N 2 1 303.494 3.367 20 10 DGCDMP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001648702849 1195324736 /nfs/dbraw/zinc/32/47/36/1195324736.db2.gz JDYTXQPNMXXFCM-CRAIPNDOSA-N 2 1 319.468 3.246 20 10 DGCDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC001660949340 1196545479 /nfs/dbraw/zinc/54/54/79/1196545479.db2.gz MHVBTKRPMDNIPM-MRXNPFEDSA-N 2 1 321.484 3.493 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCN1c1cc[nH+]cc1 ZINC001183532572 1083971805 /nfs/dbraw/zinc/97/18/05/1083971805.db2.gz DSNPVVHPPSZQJC-CYBMUJFWSA-N 2 1 317.820 3.151 20 10 DGCDMP Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1O ZINC001167972733 1085911785 /nfs/dbraw/zinc/91/17/85/1085911785.db2.gz AKPVXKWPMAMMPB-AYHJJNSGSA-N 2 1 300.446 3.196 20 10 DGCDMP C[N@H+](Cc1ccc(O)c(O)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001203883749 1090826323 /nfs/dbraw/zinc/82/63/23/1090826323.db2.gz NMTBCPOJWJVYAQ-UHFFFAOYSA-N 2 1 318.461 3.327 20 10 DGCDMP C[N@@H+](Cc1ccc(O)c(O)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001203883749 1090826329 /nfs/dbraw/zinc/82/63/29/1090826329.db2.gz NMTBCPOJWJVYAQ-UHFFFAOYSA-N 2 1 318.461 3.327 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCC2)cc1)CC1CC[NH+](C)CC1 ZINC001204327475 1090950723 /nfs/dbraw/zinc/95/07/23/1090950723.db2.gz VEYNRYUQBKJGAV-UHFFFAOYSA-N 2 1 301.478 3.060 20 10 DGCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001205015731 1091084341 /nfs/dbraw/zinc/08/43/41/1091084341.db2.gz DPMQWUGIXKRSBV-CQSZACIVSA-N 2 1 316.445 3.008 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@](C)([NH3+])CC3)c2c1 ZINC001205289615 1091167459 /nfs/dbraw/zinc/16/74/59/1091167459.db2.gz ZQVRPNAJUBHQJG-IBGZPJMESA-N 2 1 314.429 3.257 20 10 DGCDMP Cc1c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c2ccccc2n1C ZINC001205559444 1091253875 /nfs/dbraw/zinc/25/38/75/1091253875.db2.gz QYDFVDQENNRLPY-SFHVURJKSA-N 2 1 303.425 3.140 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1 ZINC001205578651 1091264641 /nfs/dbraw/zinc/26/46/41/1091264641.db2.gz IDBKYAQHYYUNBQ-SFHVURJKSA-N 2 1 308.441 3.343 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC[C@H]1C[NH3+] ZINC001205625962 1091285900 /nfs/dbraw/zinc/28/59/00/1091285900.db2.gz DAOWPOLOGIBUBR-GJZGRUSLSA-N 2 1 304.478 3.497 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@H]1C[NH3+] ZINC001205637044 1091290315 /nfs/dbraw/zinc/29/03/15/1091290315.db2.gz GHHNFOVOIVFIKK-GJZGRUSLSA-N 2 1 304.478 3.497 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)c(O)c1 ZINC001205788158 1091347532 /nfs/dbraw/zinc/34/75/32/1091347532.db2.gz MXMYOJCUPCDTKV-CQSZACIVSA-N 2 1 312.404 3.106 20 10 DGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817850 1091363869 /nfs/dbraw/zinc/36/38/69/1091363869.db2.gz RPXRHJOUSMIICY-LPHOPBHVSA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817850 1091363880 /nfs/dbraw/zinc/36/38/80/1091363880.db2.gz RPXRHJOUSMIICY-LPHOPBHVSA-N 2 1 301.478 3.236 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(OC)c1 ZINC001205901311 1091400522 /nfs/dbraw/zinc/40/05/22/1091400522.db2.gz CMBSGPATONBLJS-CVEARBPZSA-N 2 1 319.493 3.101 20 10 DGCDMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001205903493 1091402224 /nfs/dbraw/zinc/40/22/24/1091402224.db2.gz PQYCXAYHRRMMIU-FUHWJXTLSA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@@H]1C ZINC001139408071 1091551944 /nfs/dbraw/zinc/55/19/44/1091551944.db2.gz JHDGNYRVFGIJKE-ROUUACIJSA-N 2 1 315.505 3.306 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206294052 1091565629 /nfs/dbraw/zinc/56/56/29/1091565629.db2.gz IZLQRZGPCOFVQL-IBGZPJMESA-N 2 1 303.494 3.484 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1 ZINC001206541908 1091662403 /nfs/dbraw/zinc/66/24/03/1091662403.db2.gz NELFTDXUFAWRDT-LJQANCHMSA-N 2 1 303.494 3.484 20 10 DGCDMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001206615544 1091690542 /nfs/dbraw/zinc/69/05/42/1091690542.db2.gz IAPLBNQCSXUPHV-GOSISDBHSA-N 2 1 301.478 3.238 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(OC)c1 ZINC001206769777 1091733205 /nfs/dbraw/zinc/73/32/05/1091733205.db2.gz QGFPXQXBFULJOR-JKSUJKDBSA-N 2 1 319.493 3.101 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H](C)C3)cc2)CC1 ZINC001140301933 1091818901 /nfs/dbraw/zinc/81/89/01/1091818901.db2.gz DRMRECCNMKKKSU-GOSISDBHSA-N 2 1 315.505 3.451 20 10 DGCDMP CC[N@@H+](CCn1ccnc1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078098 1092129875 /nfs/dbraw/zinc/12/98/75/1092129875.db2.gz KRODAZXJXJGKHF-UHFFFAOYSA-N 2 1 324.472 3.104 20 10 DGCDMP C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[NH2+]1 ZINC001210517897 1093194462 /nfs/dbraw/zinc/19/44/62/1093194462.db2.gz ABIKNOGMKDHQPO-CQSZACIVSA-N 2 1 314.404 3.382 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[NH2+]1 ZINC001210517897 1093194465 /nfs/dbraw/zinc/19/44/65/1093194465.db2.gz ABIKNOGMKDHQPO-CQSZACIVSA-N 2 1 314.404 3.382 20 10 DGCDMP CC[C@]1(C)CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001337043041 1094828674 /nfs/dbraw/zinc/82/86/74/1094828674.db2.gz XERMKPDEHHRKAR-LJQANCHMSA-N 2 1 319.468 3.200 20 10 DGCDMP CC[C@]1(C)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001337043041 1094828681 /nfs/dbraw/zinc/82/86/81/1094828681.db2.gz XERMKPDEHHRKAR-LJQANCHMSA-N 2 1 319.468 3.200 20 10 DGCDMP CC[C@]1(C)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001337043041 1094828693 /nfs/dbraw/zinc/82/86/93/1094828693.db2.gz XERMKPDEHHRKAR-LJQANCHMSA-N 2 1 319.468 3.200 20 10 DGCDMP CCc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001276804887 1094975458 /nfs/dbraw/zinc/97/54/58/1094975458.db2.gz MRMILYLOKKILKA-LJQANCHMSA-N 2 1 302.462 3.262 20 10 DGCDMP CCc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(O)c1 ZINC001276804887 1094975467 /nfs/dbraw/zinc/97/54/67/1094975467.db2.gz MRMILYLOKKILKA-LJQANCHMSA-N 2 1 302.462 3.262 20 10 DGCDMP Cc1ccc(O)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222167051 1095470526 /nfs/dbraw/zinc/47/05/26/1095470526.db2.gz HFRHSLJDJDIULX-IBGZPJMESA-N 2 1 302.462 3.446 20 10 DGCDMP Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222252616 1095513665 /nfs/dbraw/zinc/51/36/65/1095513665.db2.gz HRBLHERMBJEKDZ-OAHLLOKOSA-N 2 1 314.351 3.129 20 10 DGCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222252616 1095513674 /nfs/dbraw/zinc/51/36/74/1095513674.db2.gz HRBLHERMBJEKDZ-OAHLLOKOSA-N 2 1 314.351 3.129 20 10 DGCDMP CN1CCCc2cc(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)ccc21 ZINC001222315420 1095544752 /nfs/dbraw/zinc/54/47/52/1095544752.db2.gz NMMVFKHNESJNPQ-FQEVSTJZSA-N 2 1 313.489 3.177 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC23CC[NH2+]CC3)cc1 ZINC001235101505 1098801470 /nfs/dbraw/zinc/80/14/70/1098801470.db2.gz CJTFRMSKWQOZRE-UHFFFAOYSA-N 2 1 309.457 3.422 20 10 DGCDMP Oc1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235153299 1098839846 /nfs/dbraw/zinc/83/98/46/1098839846.db2.gz JIEHPETZRSWOQX-MRXNPFEDSA-N 2 1 308.853 3.400 20 10 DGCDMP CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC001235190430 1098867679 /nfs/dbraw/zinc/86/76/79/1098867679.db2.gz HZHQPTYRBJYVQG-OCCSQVGLSA-N 2 1 322.880 3.384 20 10 DGCDMP CC(C)(C)c1cc(O)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC001235190430 1098867684 /nfs/dbraw/zinc/86/76/84/1098867684.db2.gz HZHQPTYRBJYVQG-OCCSQVGLSA-N 2 1 322.880 3.384 20 10 DGCDMP Cc1ccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c(O)c1 ZINC001235250298 1098923069 /nfs/dbraw/zinc/92/30/69/1098923069.db2.gz ARTZZBBPIUDGOW-TZIWHRDSSA-N 2 1 322.452 3.422 20 10 DGCDMP Cc1cc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c(C)n1-c1ccccc1 ZINC001235339397 1098962081 /nfs/dbraw/zinc/96/20/81/1098962081.db2.gz FYSXUDAKCJWXLH-KRWDZBQOSA-N 2 1 309.457 3.135 20 10 DGCDMP Cc1cccc(O)c1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235358176 1098976564 /nfs/dbraw/zinc/97/65/64/1098976564.db2.gz LTDZYLDROLNFBP-TZIWHRDSSA-N 2 1 322.452 3.280 20 10 DGCDMP Nc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235385198 1098990243 /nfs/dbraw/zinc/99/02/43/1098990243.db2.gz UCNPIMPMHKQSPA-FPOVZHCZSA-N 2 1 321.468 3.022 20 10 DGCDMP C[N@H+](Cc1cccc(-c2ccccc2)c1O)CC1CC[NH2+]CC1 ZINC001235431721 1099027604 /nfs/dbraw/zinc/02/76/04/1099027604.db2.gz BHACEQRWXDKXCM-UHFFFAOYSA-N 2 1 310.441 3.491 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)c2ccccc21 ZINC001235434013 1099031300 /nfs/dbraw/zinc/03/13/00/1099031300.db2.gz WUQGWONGDTUEOK-UHFFFAOYSA-N 2 1 311.473 3.337 20 10 DGCDMP C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)C[C@H]1CCC[NH2+]C1 ZINC001235960532 1099294239 /nfs/dbraw/zinc/29/42/39/1099294239.db2.gz YVAMVPQZHTUOGB-AWEZNQCLSA-N 2 1 316.445 3.008 20 10 DGCDMP Oc1cc2c(cc1C[N@@H+](Cc1ccccc1)C1CC1)C[NH2+]CCO2 ZINC001235994723 1099317286 /nfs/dbraw/zinc/31/72/86/1099317286.db2.gz VVWTVQDZHVNOPE-UHFFFAOYSA-N 2 1 324.424 3.039 20 10 DGCDMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001236213750 1099470345 /nfs/dbraw/zinc/47/03/45/1099470345.db2.gz UWXSMGDBYSHCLN-UHFFFAOYSA-N 2 1 309.885 3.368 20 10 DGCDMP Cc1ccc(O)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1 ZINC001236375391 1099562690 /nfs/dbraw/zinc/56/26/90/1099562690.db2.gz JVENNAACJIZAFK-MRXNPFEDSA-N 2 1 302.462 3.445 20 10 DGCDMP Cc1c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c2ccccc2n1C ZINC001236599592 1099695234 /nfs/dbraw/zinc/69/52/34/1099695234.db2.gz TVGLJRBQAQLRJS-INIZCTEOSA-N 2 1 311.473 3.451 20 10 DGCDMP CCOc1ccc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236665374 1099731758 /nfs/dbraw/zinc/73/17/58/1099731758.db2.gz VNSCHUOCACPLDP-KRWDZBQOSA-N 2 1 318.461 3.288 20 10 DGCDMP CCOc1ccc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236665374 1099731769 /nfs/dbraw/zinc/73/17/69/1099731769.db2.gz VNSCHUOCACPLDP-KRWDZBQOSA-N 2 1 318.461 3.288 20 10 DGCDMP CCc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(O)c1 ZINC001236788735 1099784991 /nfs/dbraw/zinc/78/49/91/1099784991.db2.gz PYHWLOCSSLUVMR-UHFFFAOYSA-N 2 1 302.462 3.405 20 10 DGCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4ccccc4cc3O)C[C@@H]2C1 ZINC001236838262 1099822205 /nfs/dbraw/zinc/82/22/05/1099822205.db2.gz XOYKICZOUOMNDT-KDURUIRLSA-N 2 1 310.441 3.319 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4ccccc4cc3O)C[C@@H]2C1 ZINC001236838262 1099822218 /nfs/dbraw/zinc/82/22/18/1099822218.db2.gz XOYKICZOUOMNDT-KDURUIRLSA-N 2 1 310.441 3.319 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc4ccccc4cc3O)C[C@@H]2C1 ZINC001236838262 1099822230 /nfs/dbraw/zinc/82/22/30/1099822230.db2.gz XOYKICZOUOMNDT-KDURUIRLSA-N 2 1 310.441 3.319 20 10 DGCDMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236931993 1099882483 /nfs/dbraw/zinc/88/24/83/1099882483.db2.gz MXEBBTLNHHXNOD-IYBDPMFKSA-N 2 1 319.468 3.340 20 10 DGCDMP CC(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(O)c1 ZINC001237049268 1099944858 /nfs/dbraw/zinc/94/48/58/1099944858.db2.gz MXJJHAPLBHMGIG-UHFFFAOYSA-N 2 1 302.462 3.433 20 10 DGCDMP CC[NH+]1CCC([N@H+](C)Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237138422 1099989790 /nfs/dbraw/zinc/98/97/90/1099989790.db2.gz CONCCHMHOPAUMN-UHFFFAOYSA-N 2 1 316.367 3.327 20 10 DGCDMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237138422 1099989799 /nfs/dbraw/zinc/98/97/99/1099989799.db2.gz CONCCHMHOPAUMN-UHFFFAOYSA-N 2 1 316.367 3.327 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237146491 1099995973 /nfs/dbraw/zinc/99/59/73/1099995973.db2.gz SENNNDBDCHBWBQ-HXUWFJFHSA-N 2 1 313.489 3.393 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237146491 1099995981 /nfs/dbraw/zinc/99/59/81/1099995981.db2.gz SENNNDBDCHBWBQ-HXUWFJFHSA-N 2 1 313.489 3.393 20 10 DGCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC2(C1)CCCCC2 ZINC001237203709 1100032387 /nfs/dbraw/zinc/03/23/87/1100032387.db2.gz HLDATTSNJMJINA-UHFFFAOYSA-N 2 1 313.489 3.252 20 10 DGCDMP Cn1ccc2c1cccc2-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001241822188 1101729078 /nfs/dbraw/zinc/72/90/78/1101729078.db2.gz SLADQPPNKCOWTN-UHFFFAOYSA-N 2 1 302.381 3.180 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1O ZINC001206565983 1103843893 /nfs/dbraw/zinc/84/38/93/1103843893.db2.gz XCTCNNXJFQZGNF-MRXNPFEDSA-N 2 1 312.841 3.005 20 10 DGCDMP CC[NH+](CC)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC001328990791 1104116399 /nfs/dbraw/zinc/11/63/99/1104116399.db2.gz WENWENJBMZIOKQ-UHFFFAOYSA-N 2 1 302.462 3.187 20 10 DGCDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249258158 1105258696 /nfs/dbraw/zinc/25/86/96/1105258696.db2.gz FGQBNFGXAATCRC-UHFFFAOYSA-N 2 1 318.461 3.350 20 10 DGCDMP C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321185252 1107277333 /nfs/dbraw/zinc/27/73/33/1107277333.db2.gz PZWRHAFKVUSIHC-DOTOQJQBSA-N 2 1 319.468 3.103 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCC(C)(C)C)cc2F)CC1 ZINC001322012425 1107484219 /nfs/dbraw/zinc/48/42/19/1107484219.db2.gz LJNJRSNNJZXEJR-UHFFFAOYSA-N 2 1 321.484 3.493 20 10 DGCDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CCN1C ZINC001324745710 1108449369 /nfs/dbraw/zinc/44/93/69/1108449369.db2.gz FAKPBHBRIYQZLQ-VQIMIIECSA-N 2 1 301.478 3.201 20 10 DGCDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC001324745710 1108449372 /nfs/dbraw/zinc/44/93/72/1108449372.db2.gz FAKPBHBRIYQZLQ-VQIMIIECSA-N 2 1 301.478 3.201 20 10 DGCDMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC001324745710 1108449381 /nfs/dbraw/zinc/44/93/81/1108449381.db2.gz FAKPBHBRIYQZLQ-VQIMIIECSA-N 2 1 301.478 3.201 20 10 DGCDMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CC[NH+]1C ZINC001324745710 1108449383 /nfs/dbraw/zinc/44/93/83/1108449383.db2.gz FAKPBHBRIYQZLQ-VQIMIIECSA-N 2 1 301.478 3.201 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC001319711309 1108604104 /nfs/dbraw/zinc/60/41/04/1108604104.db2.gz IKMJJXGNLCMBOG-LJQANCHMSA-N 2 1 313.489 3.205 20 10 DGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001319717059 1108608072 /nfs/dbraw/zinc/60/80/72/1108608072.db2.gz KGKAYNOIMZDCOT-FXAWDEMLSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001319717059 1108608080 /nfs/dbraw/zinc/60/80/80/1108608080.db2.gz KGKAYNOIMZDCOT-FXAWDEMLSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)[C@@H](C)C1 ZINC001319717059 1108608087 /nfs/dbraw/zinc/60/80/87/1108608087.db2.gz KGKAYNOIMZDCOT-FXAWDEMLSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[NH+](CC)CC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001308606362 1111450021 /nfs/dbraw/zinc/45/00/21/1111450021.db2.gz VJPZSFXMTKTUHG-UHFFFAOYSA-N 2 1 312.404 3.224 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563846 431916070 /nfs/dbraw/zinc/91/60/70/431916070.db2.gz GVUWRNONDFQPRC-MRXNPFEDSA-N 2 1 308.853 3.496 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093563846 431916071 /nfs/dbraw/zinc/91/60/71/431916071.db2.gz GVUWRNONDFQPRC-MRXNPFEDSA-N 2 1 308.853 3.496 20 10 DGCDMP Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000180765582 524402267 /nfs/dbraw/zinc/40/22/67/524402267.db2.gz QQMLAXWETUJOLO-CRAIPNDOSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000180765582 524402273 /nfs/dbraw/zinc/40/22/73/524402273.db2.gz QQMLAXWETUJOLO-CRAIPNDOSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000180765582 524402280 /nfs/dbraw/zinc/40/22/80/524402280.db2.gz QQMLAXWETUJOLO-CRAIPNDOSA-N 2 1 300.446 3.149 20 10 DGCDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000731041543 574541930 /nfs/dbraw/zinc/54/19/30/574541930.db2.gz FYQLMYCJYFCCND-MRXNPFEDSA-N 2 1 310.441 3.491 20 10 DGCDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)ccc1O ZINC000853240019 620681040 /nfs/dbraw/zinc/68/10/40/620681040.db2.gz LOZBBPQQJBDKKR-HIFRSBDPSA-N 2 1 306.425 3.304 20 10 DGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840891953 618147813 /nfs/dbraw/zinc/14/78/13/618147813.db2.gz GQUXUQQHQBNSRE-LBPRGKRZSA-N 2 1 307.825 3.285 20 10 DGCDMP COc1cc(C)cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1O ZINC000894180757 618725002 /nfs/dbraw/zinc/72/50/02/618725002.db2.gz PXBASOIOENSFLX-MRXNPFEDSA-N 2 1 320.477 3.453 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897980522 619202475 /nfs/dbraw/zinc/20/24/75/619202475.db2.gz ADDFXTCKFZQQMI-UHFFFAOYSA-N 2 1 301.478 3.168 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841086265 620225037 /nfs/dbraw/zinc/22/50/37/620225037.db2.gz GWMRLOOMHJDTEW-CZUORRHYSA-N 2 1 308.853 3.318 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000841100819 620450752 /nfs/dbraw/zinc/45/07/52/620450752.db2.gz KXAPIIJVYUAAKJ-ZBFHGGJFSA-N 2 1 307.457 3.089 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862367424 621580118 /nfs/dbraw/zinc/58/01/18/621580118.db2.gz IKERQOCUQTYSJY-UHFFFAOYSA-N 2 1 322.403 3.058 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862367424 621580122 /nfs/dbraw/zinc/58/01/22/621580122.db2.gz IKERQOCUQTYSJY-UHFFFAOYSA-N 2 1 322.403 3.058 20 10 DGCDMP CCOc1ccc(O)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000768926109 622485607 /nfs/dbraw/zinc/48/56/07/622485607.db2.gz ITDGZNUHXNNFHW-UHFFFAOYSA-N 2 1 320.477 3.343 20 10 DGCDMP CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000769469588 622530311 /nfs/dbraw/zinc/53/03/11/622530311.db2.gz AOIRVRAZZOMTDU-GOEBONIOSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000769469588 622530314 /nfs/dbraw/zinc/53/03/14/622530314.db2.gz AOIRVRAZZOMTDU-GOEBONIOSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000769469588 622530316 /nfs/dbraw/zinc/53/03/16/622530316.db2.gz AOIRVRAZZOMTDU-GOEBONIOSA-N 2 1 306.450 3.096 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000770350972 622623030 /nfs/dbraw/zinc/62/30/30/622623030.db2.gz HJPYXURMEHTWAI-QUCCMNQESA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000770350972 622623034 /nfs/dbraw/zinc/62/30/34/622623034.db2.gz HJPYXURMEHTWAI-QUCCMNQESA-N 2 1 315.505 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000770350972 622623038 /nfs/dbraw/zinc/62/30/38/622623038.db2.gz HJPYXURMEHTWAI-QUCCMNQESA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1O ZINC000873235084 623085454 /nfs/dbraw/zinc/08/54/54/623085454.db2.gz KRGIGLWMBOWITO-CJNGLKHVSA-N 2 1 302.393 3.142 20 10 DGCDMP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000873271386 623099986 /nfs/dbraw/zinc/09/99/86/623099986.db2.gz HVPZSPLCWYOGNR-WDEREUQCSA-N 2 1 316.367 3.450 20 10 DGCDMP C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775649402 623303355 /nfs/dbraw/zinc/30/33/55/623303355.db2.gz QXLBPWLPOXOHJF-XLIONFOSSA-N 2 1 315.505 3.449 20 10 DGCDMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(O)c1 ZINC000876811576 623713387 /nfs/dbraw/zinc/71/33/87/623713387.db2.gz LIILZWLXWIVCGA-QAPCUYQASA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(O)c1 ZINC000876811576 623713392 /nfs/dbraw/zinc/71/33/92/623713392.db2.gz LIILZWLXWIVCGA-QAPCUYQASA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(O)c1 ZINC000876811576 623713396 /nfs/dbraw/zinc/71/33/96/623713396.db2.gz LIILZWLXWIVCGA-QAPCUYQASA-N 2 1 300.446 3.149 20 10 DGCDMP C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000780893852 623995607 /nfs/dbraw/zinc/99/56/07/623995607.db2.gz UFEFUMMCDROJAE-KRWDZBQOSA-N 2 1 324.472 3.026 20 10 DGCDMP Cc1[nH]c(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)[nH+]c1C ZINC000886662273 627183318 /nfs/dbraw/zinc/18/33/18/627183318.db2.gz AJUARRYJNDFYKC-UHFFFAOYSA-N 2 1 312.461 3.472 20 10 DGCDMP CCCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000811520572 627287160 /nfs/dbraw/zinc/28/71/60/627287160.db2.gz QQMBCKRSUQMSJC-QGZVFWFLSA-N 2 1 303.494 3.449 20 10 DGCDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817948100 627971825 /nfs/dbraw/zinc/97/18/25/627971825.db2.gz VETXXUYJDWRKRF-SRVKXCTJSA-N 2 1 316.367 3.450 20 10 DGCDMP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Cl)c(Cl)cc1O ZINC000817955025 627973472 /nfs/dbraw/zinc/97/34/72/627973472.db2.gz OXGNEOSMQJDVDJ-NXEZZACHSA-N 2 1 303.233 3.349 20 10 DGCDMP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1O ZINC000817967169 627977735 /nfs/dbraw/zinc/97/77/35/627977735.db2.gz DLZXFTVPNUESFY-SECBINFHSA-N 2 1 301.217 3.269 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Cl)c(Cl)cc1O ZINC000817968262 627978363 /nfs/dbraw/zinc/97/83/63/627978363.db2.gz IUMXROXXCSAALO-VHSXEESVSA-N 2 1 303.233 3.492 20 10 DGCDMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1O ZINC000817969928 627978507 /nfs/dbraw/zinc/97/85/07/627978507.db2.gz IIMHSOVRTIMHRF-NRUUGDAUSA-N 2 1 302.340 3.060 20 10 DGCDMP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(C(F)(F)F)c1O ZINC000817976520 627980963 /nfs/dbraw/zinc/98/09/63/627980963.db2.gz NAQIJCQFDSMEIO-GWCFXTLKSA-N 2 1 314.351 3.204 20 10 DGCDMP C[C@@H]1CC2(C[N@H+]1C/C=C\c1ccc(N(C)C)cc1)CC[NH2+]CC2 ZINC000818431715 628022411 /nfs/dbraw/zinc/02/24/11/628022411.db2.gz RIHCJXNPGNPKAD-VGOKWCNXSA-N 2 1 313.489 3.230 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840947946 630382913 /nfs/dbraw/zinc/38/29/13/630382913.db2.gz DQRSNHHLCQXFSB-UHFFFAOYSA-N 2 1 300.450 3.088 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840947946 630382914 /nfs/dbraw/zinc/38/29/14/630382914.db2.gz DQRSNHHLCQXFSB-UHFFFAOYSA-N 2 1 300.450 3.088 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000841039401 630400679 /nfs/dbraw/zinc/40/06/79/630400679.db2.gz NLVOZRPHMKQYNE-RURPWVQCSA-N 2 1 301.478 3.263 20 10 DGCDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843045266 630607535 /nfs/dbraw/zinc/60/75/35/630607535.db2.gz TVSCOJVQRVAVMJ-GOSISDBHSA-N 2 1 301.478 3.108 20 10 DGCDMP Oc1ccc(Cl)c(F)c1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843045343 630607708 /nfs/dbraw/zinc/60/77/08/630607708.db2.gz NUUXCWMCAZCCRE-BXUZGUMPSA-N 2 1 312.816 3.149 20 10 DGCDMP C[NH2+]CCC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000843057119 630609574 /nfs/dbraw/zinc/60/95/74/630609574.db2.gz BWADMGFSBIGAPN-UHFFFAOYSA-N 2 1 300.805 3.006 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000843117385 630615719 /nfs/dbraw/zinc/61/57/19/630615719.db2.gz PCQQJIAXSKEFPG-IBGZPJMESA-N 2 1 301.478 3.108 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126644 630616527 /nfs/dbraw/zinc/61/65/27/630616527.db2.gz MNOKTBBZQMJAGH-HKUYNNGSSA-N 2 1 315.505 3.273 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1F ZINC000843127457 630616956 /nfs/dbraw/zinc/61/69/56/630616956.db2.gz REZKLNYHIVVWPN-DLBZAZTESA-N 2 1 319.468 3.103 20 10 DGCDMP CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(F)cc1O ZINC000844925855 630988254 /nfs/dbraw/zinc/98/82/54/630988254.db2.gz VWCLYWSBAUBYAS-INIZCTEOSA-N 2 1 306.356 3.370 20 10 DGCDMP COc1cccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1O ZINC000846144566 631211742 /nfs/dbraw/zinc/21/17/42/631211742.db2.gz HWUFHXPEMQYZHT-CYBMUJFWSA-N 2 1 303.406 3.037 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000164408876 658934704 /nfs/dbraw/zinc/93/47/04/658934704.db2.gz URYFBCPKPLKMLP-QGZVFWFLSA-N 2 1 302.462 3.317 20 10 DGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(O)ccc4ccccc43)CC[C@H]21 ZINC000247111389 662300883 /nfs/dbraw/zinc/30/08/83/662300883.db2.gz QQFCNDVOSPAYRZ-VQIMIIECSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CC[C@H]21 ZINC000247111389 662300884 /nfs/dbraw/zinc/30/08/84/662300884.db2.gz QQFCNDVOSPAYRZ-VQIMIIECSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CC[C@H]21 ZINC000247111389 662300885 /nfs/dbraw/zinc/30/08/85/662300885.db2.gz QQFCNDVOSPAYRZ-VQIMIIECSA-N 2 1 310.441 3.462 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066056 662327328 /nfs/dbraw/zinc/32/73/28/662327328.db2.gz UECOEFAOGXPMQS-XLIONFOSSA-N 2 1 313.489 3.201 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000092066056 662327329 /nfs/dbraw/zinc/32/73/29/662327329.db2.gz UECOEFAOGXPMQS-XLIONFOSSA-N 2 1 313.489 3.201 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000092066056 662327331 /nfs/dbraw/zinc/32/73/31/662327331.db2.gz UECOEFAOGXPMQS-XLIONFOSSA-N 2 1 313.489 3.201 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000378951309 685146319 /nfs/dbraw/zinc/14/63/19/685146319.db2.gz HTXCXOPWJQOVRI-HKUYNNGSSA-N 2 1 301.478 3.249 20 10 DGCDMP Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000383936774 685169851 /nfs/dbraw/zinc/16/98/51/685169851.db2.gz CYFVMAOFPWUYRU-PKOBYXMFSA-N 2 1 322.452 3.491 20 10 DGCDMP CC(C)C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001461368396 1182801680 /nfs/dbraw/zinc/80/16/80/1182801680.db2.gz RMUDSZWWTRKDQW-OAHLLOKOSA-N 2 1 307.457 3.102 20 10 DGCDMP CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001474070106 1183861162 /nfs/dbraw/zinc/86/11/62/1183861162.db2.gz DZTYSYZKRMHOEH-WMZOPIPTSA-N 2 1 319.468 3.246 20 10 DGCDMP C[C@H]([NH2+]Cc1cccc(F)c1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560749250 1189374612 /nfs/dbraw/zinc/37/46/12/1189374612.db2.gz DHFXHZRXYPNANJ-ZFWWWQNUSA-N 2 1 306.425 3.274 20 10 DGCDMP C[C@H]([NH2+]Cc1cccc(F)c1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749250 1189374614 /nfs/dbraw/zinc/37/46/14/1189374614.db2.gz DHFXHZRXYPNANJ-ZFWWWQNUSA-N 2 1 306.425 3.274 20 10 DGCDMP CC(C)[NH+]1CCC(CC[NH2+]Cc2cc(F)c(F)cc2O)CC1 ZINC001621462912 1193846191 /nfs/dbraw/zinc/84/61/91/1193846191.db2.gz IRHSNUURZGXJTD-UHFFFAOYSA-N 2 1 312.404 3.271 20 10 DGCDMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2O)cc1 ZINC001659695437 1196406581 /nfs/dbraw/zinc/40/65/81/1196406581.db2.gz KPLXLXQTVRYELO-UHFFFAOYSA-N 2 1 320.383 3.364 20 10 DGCDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(F)c(F)cc2O)cc1 ZINC001659695437 1196406583 /nfs/dbraw/zinc/40/65/83/1196406583.db2.gz KPLXLXQTVRYELO-UHFFFAOYSA-N 2 1 320.383 3.364 20 10 DGCDMP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)ccc1N(C)C ZINC001659975370 1196433833 /nfs/dbraw/zinc/43/38/33/1196433833.db2.gz LRTGTSBWCRSCEY-KRWDZBQOSA-N 2 1 324.472 3.167 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC(C)(C)C3)cc2)CC1 ZINC001140304582 1082124195 /nfs/dbraw/zinc/12/41/95/1082124195.db2.gz VQXHNHVFKDPFPY-UHFFFAOYSA-N 2 1 301.478 3.060 20 10 DGCDMP C[NH+]1CCC(C2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)CC1 ZINC001142525141 1087277384 /nfs/dbraw/zinc/27/73/84/1087277384.db2.gz ZGBAKFGENNCPCD-UHFFFAOYSA-N 2 1 324.415 3.224 20 10 DGCDMP COc1ccc(O)c(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1 ZINC001203680187 1090778842 /nfs/dbraw/zinc/77/88/42/1090778842.db2.gz JHQOJEVRYYOQQU-IRXDYDNUSA-N 2 1 318.461 3.240 20 10 DGCDMP COc1ccc(O)c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1 ZINC001203680187 1090778847 /nfs/dbraw/zinc/77/88/47/1090778847.db2.gz JHQOJEVRYYOQQU-IRXDYDNUSA-N 2 1 318.461 3.240 20 10 DGCDMP COc1ccc(O)c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1 ZINC001203680187 1090778849 /nfs/dbraw/zinc/77/88/49/1090778849.db2.gz JHQOJEVRYYOQQU-IRXDYDNUSA-N 2 1 318.461 3.240 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@@H]1C[NH3+] ZINC001205296195 1091169366 /nfs/dbraw/zinc/16/93/66/1091169366.db2.gz IRBFHQLHAHWXCU-WBVHZDCISA-N 2 1 311.473 3.323 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@H]1C[NH3+] ZINC001205319348 1091184327 /nfs/dbraw/zinc/18/43/27/1091184327.db2.gz ZGMARCAKMSEVSN-MAUKXSAKSA-N 2 1 310.441 3.476 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@H]1C[NH3+] ZINC001205637043 1091290510 /nfs/dbraw/zinc/29/05/10/1091290510.db2.gz GHHNFOVOIVFIKK-CABCVRRESA-N 2 1 304.478 3.497 20 10 DGCDMP C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CCC[C@H]1C[NH3+] ZINC001206024567 1091455277 /nfs/dbraw/zinc/45/52/77/1091455277.db2.gz KDUTZMSWQOLZGU-RYUDHWBXSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCC[C@H]1C[NH3+] ZINC001206024567 1091455283 /nfs/dbraw/zinc/45/52/83/1091455283.db2.gz KDUTZMSWQOLZGU-RYUDHWBXSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CCC[C@@H]1C[NH3+] ZINC001206026839 1091456841 /nfs/dbraw/zinc/45/68/41/1091456841.db2.gz UIDLYTIBRZSFHV-NWDGAFQWSA-N 2 1 316.367 3.218 20 10 DGCDMP COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139258228 1091503293 /nfs/dbraw/zinc/50/32/93/1091503293.db2.gz NBUPKHJDSSTALT-UONOGXRCSA-N 2 1 306.450 3.083 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(F)CC3)cc2)CC1 ZINC001139408397 1091552435 /nfs/dbraw/zinc/55/24/35/1091552435.db2.gz LHDVGJSURSCWOE-LJQANCHMSA-N 2 1 319.468 3.153 20 10 DGCDMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001206285300 1091562082 /nfs/dbraw/zinc/56/20/82/1091562082.db2.gz LAKYBRWJSAMVOM-CQSZACIVSA-N 2 1 314.404 3.240 20 10 DGCDMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001206370192 1091602931 /nfs/dbraw/zinc/60/29/31/1091602931.db2.gz LRTLMZVJNGABQG-SFHVURJKSA-N 2 1 302.393 3.198 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c2ccccc21 ZINC001206615930 1091690067 /nfs/dbraw/zinc/69/00/67/1091690067.db2.gz KLZASHPWDCYUQB-MRXNPFEDSA-N 2 1 311.473 3.467 20 10 DGCDMP Oc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001140055755 1091753109 /nfs/dbraw/zinc/75/31/09/1091753109.db2.gz SNABLNUXPCGIEY-QGZVFWFLSA-N 2 1 306.425 3.372 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](F)CC3)cc2)CC1 ZINC001140302513 1091819707 /nfs/dbraw/zinc/81/97/07/1091819707.db2.gz SRTPOCZSNSHETP-SFHVURJKSA-N 2 1 319.468 3.153 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC4CCC3CC4)cc2)CC1 ZINC001140304284 1091820026 /nfs/dbraw/zinc/82/00/26/1091820026.db2.gz LXMRBWUKNUGLEY-UHFFFAOYSA-N 2 1 313.489 3.203 20 10 DGCDMP CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001140305550 1091820687 /nfs/dbraw/zinc/82/06/87/1091820687.db2.gz BWABOIUBRZYYBJ-GOSISDBHSA-N 2 1 315.505 3.451 20 10 DGCDMP Cc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c(O)c1 ZINC001140950962 1092077061 /nfs/dbraw/zinc/07/70/61/1092077061.db2.gz QWQYDTIRHSPOQQ-UHFFFAOYSA-N 2 1 306.425 3.099 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1F ZINC001119990898 1094337969 /nfs/dbraw/zinc/33/79/69/1094337969.db2.gz YTAVELKVBXGJPE-GVDBMIGSSA-N 2 1 319.468 3.054 20 10 DGCDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3ccccc3cc1O)C2 ZINC001276812979 1095089620 /nfs/dbraw/zinc/08/96/20/1095089620.db2.gz LYURRFLAEDFAAD-HXUWFJFHSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc3ccccc3cc1O)C2 ZINC001276812979 1095089637 /nfs/dbraw/zinc/08/96/37/1095089637.db2.gz LYURRFLAEDFAAD-HXUWFJFHSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc3ccccc3cc1O)C2 ZINC001276812979 1095089647 /nfs/dbraw/zinc/08/96/47/1095089647.db2.gz LYURRFLAEDFAAD-HXUWFJFHSA-N 2 1 310.441 3.463 20 10 DGCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC[N@H+]1C ZINC000316426119 1095173202 /nfs/dbraw/zinc/17/32/02/1095173202.db2.gz BETZFULSCWCIOO-AEFFLSMTSA-N 2 1 301.478 3.249 20 10 DGCDMP COc1ccc(O)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222162006 1095469107 /nfs/dbraw/zinc/46/91/07/1095469107.db2.gz VXWUJPGMZZQPGA-IBGZPJMESA-N 2 1 318.461 3.147 20 10 DGCDMP Cc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1O ZINC001222168120 1095472778 /nfs/dbraw/zinc/47/27/78/1095472778.db2.gz VCNDIVMJMTZIEB-IBGZPJMESA-N 2 1 302.462 3.446 20 10 DGCDMP CN1CCCc2cc(C[NH+]3CCC4(CCCC[NH2+]4)CC3)ccc21 ZINC001222292627 1095533054 /nfs/dbraw/zinc/53/30/54/1095533054.db2.gz HWGFRHBPNOSCLY-UHFFFAOYSA-N 2 1 313.489 3.177 20 10 DGCDMP Oc1cc2c(cc1C[N@H+]1CCCC3(CCCC3)C1)C[NH2+]CCO2 ZINC001222402160 1095596085 /nfs/dbraw/zinc/59/60/85/1095596085.db2.gz ZREHAOATVPOEBV-UHFFFAOYSA-N 2 1 316.445 3.030 20 10 DGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC001116565795 1095602277 /nfs/dbraw/zinc/60/22/77/1095602277.db2.gz XDISXFBNVGBZRE-NFAWXSAZSA-N 2 1 306.425 3.401 20 10 DGCDMP Cc1cc(C)c(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(O)c1 ZINC001222608466 1095689399 /nfs/dbraw/zinc/68/93/99/1095689399.db2.gz AFSJOOPVRJKXSF-LJQANCHMSA-N 2 1 322.452 3.198 20 10 DGCDMP CCSC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001173295116 1097399428 /nfs/dbraw/zinc/39/94/28/1097399428.db2.gz INVLVDMFWOKEEZ-AWEZNQCLSA-N 2 1 308.491 3.088 20 10 DGCDMP Cc1cc(F)cc(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)c1O ZINC001277518948 1097749914 /nfs/dbraw/zinc/74/99/14/1097749914.db2.gz GFSCDTXCNWEOIS-SFHVURJKSA-N 2 1 306.425 3.148 20 10 DGCDMP Cc1cc(F)cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c1O ZINC001277518948 1097749917 /nfs/dbraw/zinc/74/99/17/1097749917.db2.gz GFSCDTXCNWEOIS-SFHVURJKSA-N 2 1 306.425 3.148 20 10 DGCDMP Cc1cc(F)cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1O ZINC001277518948 1097749926 /nfs/dbraw/zinc/74/99/26/1097749926.db2.gz GFSCDTXCNWEOIS-SFHVURJKSA-N 2 1 306.425 3.148 20 10 DGCDMP CCOCc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OC ZINC001177158033 1098485616 /nfs/dbraw/zinc/48/56/16/1098485616.db2.gz QNTGCDHXXAJXRU-UHFFFAOYSA-N 2 1 320.477 3.194 20 10 DGCDMP CN(C)c1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)c2ccccc21 ZINC001235111113 1098810120 /nfs/dbraw/zinc/81/01/20/1098810120.db2.gz OUSVBXHVTQBQMK-HXUWFJFHSA-N 2 1 309.457 3.234 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)c2ccccc21 ZINC001235111113 1098810134 /nfs/dbraw/zinc/81/01/34/1098810134.db2.gz OUSVBXHVTQBQMK-HXUWFJFHSA-N 2 1 309.457 3.234 20 10 DGCDMP Oc1cc(Cl)c(F)cc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235134188 1098831495 /nfs/dbraw/zinc/83/14/95/1098831495.db2.gz UUMQWBNFUCXCOQ-UHFFFAOYSA-N 2 1 312.816 3.150 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001235141741 1098833434 /nfs/dbraw/zinc/83/34/34/1098833434.db2.gz XOQIKIYYDZZFDN-UHFFFAOYSA-N 2 1 301.478 3.251 20 10 DGCDMP CCOc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(O)c1 ZINC001235152807 1098839798 /nfs/dbraw/zinc/83/97/98/1098839798.db2.gz BIRGRCNJUJBYCE-SFHVURJKSA-N 2 1 318.461 3.145 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c2ccccc21 ZINC001235241374 1098912905 /nfs/dbraw/zinc/91/29/05/1098912905.db2.gz SQTCQLUZQANBBC-OXQOHEQNSA-N 2 1 309.457 3.219 20 10 DGCDMP c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001235673928 1099116978 /nfs/dbraw/zinc/11/69/78/1099116978.db2.gz JBEMVVCQRIKWNB-OAQYLSRUSA-N 2 1 321.468 3.433 20 10 DGCDMP C[N@H+](Cc1cc(Cl)c(C(C)(C)C)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001235841173 1099204499 /nfs/dbraw/zinc/20/44/99/1099204499.db2.gz YBKPLYPBYLVLEE-GFCCVEGCSA-N 2 1 310.869 3.384 20 10 DGCDMP C[N@H+](Cc1cc(Cl)c(C(C)(C)C)cc1O)C[C@H]1CC[NH2+]C1 ZINC001235841174 1099205285 /nfs/dbraw/zinc/20/52/85/1099205285.db2.gz YBKPLYPBYLVLEE-LBPRGKRZSA-N 2 1 310.869 3.384 20 10 DGCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]3CCCC[C@@H]31)C[NH2+]CCO2 ZINC001235868985 1099227221 /nfs/dbraw/zinc/22/72/21/1099227221.db2.gz XWTQMIVIOHIJJS-PBHICJAKSA-N 2 1 316.445 3.029 20 10 DGCDMP CC(C)C[N@H+](Cc1c(O)ccc(F)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552476 1099677821 /nfs/dbraw/zinc/67/78/21/1099677821.db2.gz QUDGWEDYYZOVIZ-JOCQHMNTSA-N 2 1 312.404 3.398 20 10 DGCDMP CC(C)C[N@@H+](Cc1c(O)ccc(F)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552476 1099677823 /nfs/dbraw/zinc/67/78/23/1099677823.db2.gz QUDGWEDYYZOVIZ-JOCQHMNTSA-N 2 1 312.404 3.398 20 10 DGCDMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)n1-c1ccccc1 ZINC001236820361 1099805267 /nfs/dbraw/zinc/80/52/67/1099805267.db2.gz RDQXDHZHGYSXJF-FFZOFVMBSA-N 2 1 309.457 3.263 20 10 DGCDMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001236820362 1099806043 /nfs/dbraw/zinc/80/60/43/1099806043.db2.gz RDQXDHZHGYSXJF-PWIZWCRZSA-N 2 1 309.457 3.263 20 10 DGCDMP C[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236940378 1099883546 /nfs/dbraw/zinc/88/35/46/1099883546.db2.gz PDHXNTSMWKYQKM-MRXNPFEDSA-N 2 1 319.468 3.342 20 10 DGCDMP CC(C)c1ccc(CN2CC3(C2)CC[N@@H+](CC2CC2)C3)c(O)c1 ZINC001237048290 1099942230 /nfs/dbraw/zinc/94/22/30/1099942230.db2.gz JFFIFHUSQWLPBN-UHFFFAOYSA-N 2 1 314.473 3.433 20 10 DGCDMP CN1CCCc2cc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccc21 ZINC001237153356 1100001833 /nfs/dbraw/zinc/00/18/33/1100001833.db2.gz CHVPLMXBIFBPHA-IBGZPJMESA-N 2 1 313.489 3.176 20 10 DGCDMP CN1CCCc2cc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)ccc21 ZINC001237153356 1100001841 /nfs/dbraw/zinc/00/18/41/1100001841.db2.gz CHVPLMXBIFBPHA-IBGZPJMESA-N 2 1 313.489 3.176 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326518864 1103353063 /nfs/dbraw/zinc/35/30/63/1103353063.db2.gz MKEZMUJSOTUZDM-UHFFFAOYSA-N 2 1 313.489 3.252 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@]3(C)CC=CCC3)cc2F)CC1 ZINC001328219641 1103878462 /nfs/dbraw/zinc/87/84/62/1103878462.db2.gz ILZABJCKORTLJO-LJQANCHMSA-N 2 1 317.452 3.166 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246900258 1104728732 /nfs/dbraw/zinc/72/87/32/1104728732.db2.gz HEUPKTYLZGBIJG-GOSISDBHSA-N 2 1 301.478 3.107 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CCC2(C[NH2+]C2)CC1 ZINC001246917306 1104735736 /nfs/dbraw/zinc/73/57/36/1104735736.db2.gz CEGJZVFWEMFOPB-UHFFFAOYSA-N 2 1 301.478 3.107 20 10 DGCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCCC4)cc3)C[C@H]2CC1 ZINC001275960650 1104968448 /nfs/dbraw/zinc/96/84/48/1104968448.db2.gz ZKRFDSOXFIHMOJ-KDURUIRLSA-N 2 1 313.489 3.060 20 10 DGCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]2CC1 ZINC001275960650 1104968454 /nfs/dbraw/zinc/96/84/54/1104968454.db2.gz ZKRFDSOXFIHMOJ-KDURUIRLSA-N 2 1 313.489 3.060 20 10 DGCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]2CC1 ZINC001275960650 1104968457 /nfs/dbraw/zinc/96/84/57/1104968457.db2.gz ZKRFDSOXFIHMOJ-KDURUIRLSA-N 2 1 313.489 3.060 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254524816 1106093302 /nfs/dbraw/zinc/09/33/02/1106093302.db2.gz ZWFQDNOHEQDEIG-SFHVURJKSA-N 2 1 301.478 3.203 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254524816 1106093309 /nfs/dbraw/zinc/09/33/09/1106093309.db2.gz ZWFQDNOHEQDEIG-SFHVURJKSA-N 2 1 301.478 3.203 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254524816 1106093316 /nfs/dbraw/zinc/09/33/16/1106093316.db2.gz ZWFQDNOHEQDEIG-SFHVURJKSA-N 2 1 301.478 3.203 20 10 DGCDMP C[N@H+](Cc1ccc(N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382756082 1108162681 /nfs/dbraw/zinc/16/26/81/1108162681.db2.gz INFSZWOYJGVNKL-IBGZPJMESA-N 2 1 309.457 3.223 20 10 DGCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066889 193152549 /nfs/dbraw/zinc/15/25/49/193152549.db2.gz IHJVOQNQAQSWPK-CRAIPNDOSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092066889 193152551 /nfs/dbraw/zinc/15/25/51/193152551.db2.gz IHJVOQNQAQSWPK-CRAIPNDOSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092066889 193152552 /nfs/dbraw/zinc/15/25/52/193152552.db2.gz IHJVOQNQAQSWPK-CRAIPNDOSA-N 2 1 300.446 3.149 20 10 DGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(OCC)c2O)CC1 ZINC000092165523 193169971 /nfs/dbraw/zinc/16/99/71/193169971.db2.gz FTYIJDPIIWSGQX-UHFFFAOYSA-N 2 1 306.450 3.097 20 10 DGCDMP CC(C)CN1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000191196915 432234075 /nfs/dbraw/zinc/23/40/75/432234075.db2.gz BSACKPCYWVSUJJ-LBPRGKRZSA-N 2 1 312.404 3.441 20 10 DGCDMP CCOc1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1O ZINC000271028153 432319192 /nfs/dbraw/zinc/31/91/92/432319192.db2.gz FMCRLOQKBWSTAM-UHFFFAOYSA-N 2 1 306.450 3.096 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000153448066 432410507 /nfs/dbraw/zinc/41/05/07/432410507.db2.gz JDANRTRPTSZACC-SFHVURJKSA-N 2 1 302.462 3.459 20 10 DGCDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(O)c1C ZINC000278778201 432900352 /nfs/dbraw/zinc/90/03/52/432900352.db2.gz YECNSVDHBIZTHE-NVXWUHKLSA-N 2 1 320.477 3.161 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(C)c1O ZINC000290389020 433043110 /nfs/dbraw/zinc/04/31/10/433043110.db2.gz IQZZDEBTISTSMK-UHFFFAOYSA-N 2 1 301.434 3.372 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(C)c1O ZINC000290389020 433043115 /nfs/dbraw/zinc/04/31/15/433043115.db2.gz IQZZDEBTISTSMK-UHFFFAOYSA-N 2 1 301.434 3.372 20 10 DGCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000556877846 435034409 /nfs/dbraw/zinc/03/44/09/435034409.db2.gz MRHVJSUCSNTFAD-KURKYZTESA-N 2 1 311.473 3.449 20 10 DGCDMP Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000129218009 526363656 /nfs/dbraw/zinc/36/36/56/526363656.db2.gz KMCIJSFRJILOGK-AWEZNQCLSA-N 2 1 308.853 3.496 20 10 DGCDMP Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000129218009 526363662 /nfs/dbraw/zinc/36/36/62/526363662.db2.gz KMCIJSFRJILOGK-AWEZNQCLSA-N 2 1 308.853 3.496 20 10 DGCDMP CCOCc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000747852778 575546335 /nfs/dbraw/zinc/54/63/35/575546335.db2.gz GFXBUAWMYDKMNY-QGZVFWFLSA-N 2 1 320.477 3.052 20 10 DGCDMP CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853093531 620668056 /nfs/dbraw/zinc/66/80/56/620668056.db2.gz MJKDPFCXKUAYNK-INIZCTEOSA-N 2 1 318.461 3.003 20 10 DGCDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(F)ccc1O ZINC000853240017 620680891 /nfs/dbraw/zinc/68/08/91/620680891.db2.gz LOZBBPQQJBDKKR-DZGCQCFKSA-N 2 1 306.425 3.304 20 10 DGCDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(F)cc1O ZINC000853241017 620681458 /nfs/dbraw/zinc/68/14/58/620681458.db2.gz RRVLWYWWCOLOOO-HIFRSBDPSA-N 2 1 306.425 3.304 20 10 DGCDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(F)cc1O ZINC000853241017 620681462 /nfs/dbraw/zinc/68/14/62/620681462.db2.gz RRVLWYWWCOLOOO-HIFRSBDPSA-N 2 1 306.425 3.304 20 10 DGCDMP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(C(F)(F)F)cc1O ZINC000854226255 620785904 /nfs/dbraw/zinc/78/59/04/620785904.db2.gz GMGBSEVKXQXUCL-IQYSWEBNSA-N 2 1 314.351 3.204 20 10 DGCDMP COc1cc(C)cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1O ZINC000894360489 618771909 /nfs/dbraw/zinc/77/19/09/618771909.db2.gz WVLVBQLDLAKIGU-INIZCTEOSA-N 2 1 320.477 3.167 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440717 619775887 /nfs/dbraw/zinc/77/58/87/619775887.db2.gz AMNCUCXPGAUNHU-MSOLQXFVSA-N 2 1 301.478 3.236 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C2CC2)cc1 ZINC000904307721 619911891 /nfs/dbraw/zinc/91/18/91/619911891.db2.gz VIHKIERGRDEDFK-IBGZPJMESA-N 2 1 301.478 3.107 20 10 DGCDMP c1cc2c(cc1C[NH2+]C1CC([NH+]3CCCCC3)C1)CCCO2 ZINC000922080177 620986972 /nfs/dbraw/zinc/98/69/72/620986972.db2.gz AWUVXVHXRQJYFD-UHFFFAOYSA-N 2 1 300.446 3.118 20 10 DGCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CC=CCC1 ZINC000753574764 621450041 /nfs/dbraw/zinc/45/00/41/621450041.db2.gz DQFBGSPQGZBJSK-SFHVURJKSA-N 2 1 313.489 3.227 20 10 DGCDMP COc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(O)cc1C ZINC000768440648 622456005 /nfs/dbraw/zinc/45/60/05/622456005.db2.gz SOVNXYZAOQUDFQ-UHFFFAOYSA-N 2 1 318.461 3.160 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]3c3ccccc3)cc2)CC1 ZINC000775634736 623299227 /nfs/dbraw/zinc/29/92/27/623299227.db2.gz VUINDJRUAJNPIC-OAQYLSRUSA-N 2 1 321.468 3.385 20 10 DGCDMP CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775638590 623300812 /nfs/dbraw/zinc/30/08/12/623300812.db2.gz LQZAGPVOCIVGMN-GOSISDBHSA-N 2 1 301.478 3.203 20 10 DGCDMP CCCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775652001 623304741 /nfs/dbraw/zinc/30/47/41/623304741.db2.gz DOYYRLKBWWOTBR-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775702753 623315508 /nfs/dbraw/zinc/31/55/08/623315508.db2.gz WLTHQWKBLWLTPL-SJORKVTESA-N 2 1 301.478 3.059 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)cc2)CC1 ZINC000775698740 623316119 /nfs/dbraw/zinc/31/61/19/623316119.db2.gz RZHCMPBSEYFECL-KDURUIRLSA-N 2 1 313.489 3.060 20 10 DGCDMP CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775998180 623362575 /nfs/dbraw/zinc/36/25/75/623362575.db2.gz DSLQLOWRMGPSCY-QFBILLFUSA-N 2 1 301.478 3.059 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000877674580 623987744 /nfs/dbraw/zinc/98/77/44/623987744.db2.gz SFYMLKSTCXIZQQ-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP Cc1cc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)ccc1N(C)C ZINC000880474504 624964336 /nfs/dbraw/zinc/96/43/36/624964336.db2.gz IRBWNCZLIHRWCZ-UHFFFAOYSA-N 2 1 301.478 3.121 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000796694290 626074087 /nfs/dbraw/zinc/07/40/87/626074087.db2.gz KZNPKPNRUFKILB-ZCNNSNEGSA-N 2 1 315.505 3.495 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C4CC4)C3)cc2)CC1 ZINC000809786797 626952985 /nfs/dbraw/zinc/95/29/85/626952985.db2.gz LFNDMBJHFQCFGF-IBGZPJMESA-N 2 1 313.489 3.060 20 10 DGCDMP CCN(C)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000815118357 627630066 /nfs/dbraw/zinc/63/00/66/627630066.db2.gz VGFVMNMMPLGDPL-DFNIBXOVSA-N 2 1 301.478 3.200 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000815118357 627630068 /nfs/dbraw/zinc/63/00/68/627630068.db2.gz VGFVMNMMPLGDPL-DFNIBXOVSA-N 2 1 301.478 3.200 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000815118357 627630072 /nfs/dbraw/zinc/63/00/72/627630072.db2.gz VGFVMNMMPLGDPL-DFNIBXOVSA-N 2 1 301.478 3.200 20 10 DGCDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956135 627973988 /nfs/dbraw/zinc/97/39/88/627973988.db2.gz RODPJDXVGGRNIK-DYESRHJHSA-N 2 1 323.484 3.312 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956135 627973992 /nfs/dbraw/zinc/97/39/92/627973992.db2.gz RODPJDXVGGRNIK-DYESRHJHSA-N 2 1 323.484 3.312 20 10 DGCDMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817966286 627977654 /nfs/dbraw/zinc/97/76/54/627977654.db2.gz KJBIRPWRNJOWIG-NHYWBVRUSA-N 2 1 316.367 3.451 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(C(F)(F)F)c1O ZINC000817981215 627982355 /nfs/dbraw/zinc/98/23/55/627982355.db2.gz HFFVWXZZIIRSRZ-HBNTYKKESA-N 2 1 302.340 3.189 20 10 DGCDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825297960 628747334 /nfs/dbraw/zinc/74/73/34/628747334.db2.gz QOKLEWPSCAJBEU-UHFFFAOYSA-N 2 1 307.825 3.429 20 10 DGCDMP C[C@@H]1C[C@H]([NH+](C)C/C=C\c2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000835026370 629828196 /nfs/dbraw/zinc/82/81/96/629828196.db2.gz RYKOAQRJASQUJP-QXJVMSCWSA-N 2 1 301.478 3.180 20 10 DGCDMP C[C@@H]1C[C@H]([NH+](C)C/C=C\c2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000835026370 629828197 /nfs/dbraw/zinc/82/81/97/629828197.db2.gz RYKOAQRJASQUJP-QXJVMSCWSA-N 2 1 301.478 3.180 20 10 DGCDMP C[C@@H]1C[C@H]([N@H+](C)C/C=C\c2ccc(N(C)C)cc2)CC[NH+]1C ZINC000835026370 629828199 /nfs/dbraw/zinc/82/81/99/629828199.db2.gz RYKOAQRJASQUJP-QXJVMSCWSA-N 2 1 301.478 3.180 20 10 DGCDMP C[C@@H]1C[C@H]([N@@H+](C)C/C=C\c2ccc(N(C)C)cc2)CC[NH+]1C ZINC000835026370 629828200 /nfs/dbraw/zinc/82/82/00/629828200.db2.gz RYKOAQRJASQUJP-QXJVMSCWSA-N 2 1 301.478 3.180 20 10 DGCDMP CCOCc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1OC ZINC000841039480 630400763 /nfs/dbraw/zinc/40/07/63/630400763.db2.gz QWJJLNDGTJTUCS-SFHVURJKSA-N 2 1 320.477 3.229 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000841086248 630405914 /nfs/dbraw/zinc/40/59/14/630405914.db2.gz GPMAUTXMAXRQBB-AZUAARDMSA-N 2 1 315.505 3.497 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843043631 630607579 /nfs/dbraw/zinc/60/75/79/630607579.db2.gz AESLHUIARJGCFU-UHFFFAOYSA-N 2 1 313.489 3.393 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000843044785 630607638 /nfs/dbraw/zinc/60/76/38/630607638.db2.gz JFTAFKNSBIQHNR-QUCCMNQESA-N 2 1 315.505 3.497 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045986 630608204 /nfs/dbraw/zinc/60/82/04/630608204.db2.gz SACSSDKKCSADLR-BBRMVZONSA-N 2 1 308.853 3.318 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045986 630608205 /nfs/dbraw/zinc/60/82/05/630608205.db2.gz SACSSDKKCSADLR-BBRMVZONSA-N 2 1 308.853 3.318 20 10 DGCDMP CC[C@H]1C[N@H+](Cc2ccc(N(CC)CC)c(F)c2)CC[C@@H]1[NH3+] ZINC000843051987 630609031 /nfs/dbraw/zinc/60/90/31/630609031.db2.gz JMPDZTXWUCKZSP-RDJZCZTQSA-N 2 1 307.457 3.231 20 10 DGCDMP CC[C@H]1C[N@@H+](Cc2ccc(N(CC)CC)c(F)c2)CC[C@@H]1[NH3+] ZINC000843051987 630609034 /nfs/dbraw/zinc/60/90/34/630609034.db2.gz JMPDZTXWUCKZSP-RDJZCZTQSA-N 2 1 307.457 3.231 20 10 DGCDMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(O)c1 ZINC000843127919 630616900 /nfs/dbraw/zinc/61/69/00/630616900.db2.gz UPWILJXLWVHZHM-HOTGVXAUSA-N 2 1 318.461 3.003 20 10 DGCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000843128296 630617338 /nfs/dbraw/zinc/61/73/38/630617338.db2.gz VTJBZUUKOKGGME-CVEARBPZSA-N 2 1 318.461 3.003 20 10 DGCDMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(N2CCCCC2)cc1 ZINC000844221348 630713036 /nfs/dbraw/zinc/71/30/36/630713036.db2.gz WVEJGPFYVSEFEA-QGZVFWFLSA-N 2 1 301.478 3.108 20 10 DGCDMP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(C(F)(F)F)c1O ZINC000844922015 630982659 /nfs/dbraw/zinc/98/26/59/630982659.db2.gz YYNVEZSFKONQOI-SNVBAGLBSA-N 2 1 302.340 3.191 20 10 DGCDMP CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(F)cc1O ZINC000844925856 630988123 /nfs/dbraw/zinc/98/81/23/630988123.db2.gz VWCLYWSBAUBYAS-MRXNPFEDSA-N 2 1 306.356 3.370 20 10 DGCDMP CCc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000848887998 631773431 /nfs/dbraw/zinc/77/34/31/631773431.db2.gz KBVDTRFPPDOHLW-MRXNPFEDSA-N 2 1 302.462 3.262 20 10 DGCDMP CCOc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1O ZINC000849350167 631900797 /nfs/dbraw/zinc/90/07/97/631900797.db2.gz LLKMFBZNPFWHRK-INIZCTEOSA-N 2 1 318.461 3.003 20 10 DGCDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc2c(cc1O)CCCC2 ZINC000185404174 660221501 /nfs/dbraw/zinc/22/15/01/660221501.db2.gz IHJHDYDQWAYAPQ-LSDHHAIUSA-N 2 1 302.462 3.263 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246894844 655553034 /nfs/dbraw/zinc/55/30/34/655553034.db2.gz UECOEFAOGXPMQS-PXNSSMCTSA-N 2 1 313.489 3.201 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246894844 655553037 /nfs/dbraw/zinc/55/30/37/655553037.db2.gz UECOEFAOGXPMQS-PXNSSMCTSA-N 2 1 313.489 3.201 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246894844 655553038 /nfs/dbraw/zinc/55/30/38/655553038.db2.gz UECOEFAOGXPMQS-PXNSSMCTSA-N 2 1 313.489 3.201 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000236977054 657031967 /nfs/dbraw/zinc/03/19/67/657031967.db2.gz HRRIENRDMWBKFM-OALUTQOASA-N 2 1 301.478 3.249 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000236977054 657031972 /nfs/dbraw/zinc/03/19/72/657031972.db2.gz HRRIENRDMWBKFM-OALUTQOASA-N 2 1 301.478 3.249 20 10 DGCDMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000230004426 659294436 /nfs/dbraw/zinc/29/44/36/659294436.db2.gz PKEUJVHDJYLACX-UHFFFAOYSA-N 2 1 304.821 3.397 20 10 DGCDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173496096 659389117 /nfs/dbraw/zinc/38/91/17/659389117.db2.gz ANFHAZLQCXBICR-CQSZACIVSA-N 2 1 320.477 3.169 20 10 DGCDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173496096 659389122 /nfs/dbraw/zinc/38/91/22/659389122.db2.gz ANFHAZLQCXBICR-CQSZACIVSA-N 2 1 320.477 3.169 20 10 DGCDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173496096 659389128 /nfs/dbraw/zinc/38/91/28/659389128.db2.gz ANFHAZLQCXBICR-CQSZACIVSA-N 2 1 320.477 3.169 20 10 DGCDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000173496096 659389132 /nfs/dbraw/zinc/38/91/32/659389132.db2.gz ANFHAZLQCXBICR-CQSZACIVSA-N 2 1 320.477 3.169 20 10 DGCDMP Oc1c(F)cc(F)cc1C[NH2+]CCCCCC1CC[NH2+]CC1 ZINC001580888664 1192043793 /nfs/dbraw/zinc/04/37/93/1192043793.db2.gz UXIQOEUUWRRHLA-UHFFFAOYSA-N 2 1 312.404 3.320 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1F ZINC001620964973 1192681540 /nfs/dbraw/zinc/68/15/40/1192681540.db2.gz MYNCFHVVRGSYOZ-MRXNPFEDSA-N 2 1 321.484 3.493 20 10 DGCDMP C[NH+](C)CCCC1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001621148900 1193808761 /nfs/dbraw/zinc/80/87/61/1193808761.db2.gz XCDDAOVVLGINMP-UHFFFAOYSA-N 2 1 312.404 3.224 20 10 DGCDMP C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001658822077 1196305228 /nfs/dbraw/zinc/30/52/28/1196305228.db2.gz GYUGWCIURQFMGR-ZIAGYGMSSA-N 2 1 306.425 3.274 20 10 DGCDMP COc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001659420803 1196382009 /nfs/dbraw/zinc/38/20/09/1196382009.db2.gz PWPGXIOAUWZQCG-HUUCEWRRSA-N 2 1 318.461 3.143 20 10 DGCDMP CN1CCCc2cc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)ccc21 ZINC000323675878 1197691299 /nfs/dbraw/zinc/69/12/99/1197691299.db2.gz GGCQBQCYEMSTQJ-KRWDZBQOSA-N 2 1 313.489 3.033 20 10 DGCDMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc2c1OCC2 ZINC001167964192 1085823338 /nfs/dbraw/zinc/82/33/38/1085823338.db2.gz NQBHSJADQMFJQU-YQQQUEKLSA-N 2 1 312.457 3.117 20 10 DGCDMP COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c(O)c1 ZINC001203629348 1090768858 /nfs/dbraw/zinc/76/88/58/1090768858.db2.gz XJRRMWQDHKLRJX-DLBZAZTESA-N 2 1 318.461 3.240 20 10 DGCDMP COc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c(O)c1 ZINC001203629348 1090768864 /nfs/dbraw/zinc/76/88/64/1090768864.db2.gz XJRRMWQDHKLRJX-DLBZAZTESA-N 2 1 318.461 3.240 20 10 DGCDMP COc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c(O)c1 ZINC001203629348 1090768867 /nfs/dbraw/zinc/76/88/67/1090768867.db2.gz XJRRMWQDHKLRJX-DLBZAZTESA-N 2 1 318.461 3.240 20 10 DGCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205009172 1091083339 /nfs/dbraw/zinc/08/33/39/1091083339.db2.gz IRCVWPYQIVOXEV-INIZCTEOSA-N 2 1 311.473 3.337 20 10 DGCDMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001205333316 1091190170 /nfs/dbraw/zinc/19/01/70/1091190170.db2.gz ZZHJAUXCLKGFPR-CQSZACIVSA-N 2 1 314.404 3.382 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c(O)c1 ZINC001205582934 1091267302 /nfs/dbraw/zinc/26/73/02/1091267302.db2.gz ZUBJJJFLWBAOPF-SFHVURJKSA-N 2 1 308.441 3.343 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1O ZINC001205592778 1091270474 /nfs/dbraw/zinc/27/04/74/1091270474.db2.gz YEPUIFIXBRHVTJ-OAHLLOKOSA-N 2 1 300.805 3.007 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1C[NH3+] ZINC001205616820 1091282752 /nfs/dbraw/zinc/28/27/52/1091282752.db2.gz HBWSTUWBUBEBGY-HKUYNNGSSA-N 2 1 315.505 3.484 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CC[C@H]1C[NH3+] ZINC001205638465 1091291801 /nfs/dbraw/zinc/29/18/01/1091291801.db2.gz OGRFWSGNYOTUFI-GJZGRUSLSA-N 2 1 304.478 3.497 20 10 DGCDMP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806306 1091358650 /nfs/dbraw/zinc/35/86/50/1091358650.db2.gz TWRVAYNAJJENEU-DOTOQJQBSA-N 2 1 311.473 3.465 20 10 DGCDMP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001205806306 1091358663 /nfs/dbraw/zinc/35/86/63/1091358663.db2.gz TWRVAYNAJJENEU-DOTOQJQBSA-N 2 1 311.473 3.465 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(O)c1 ZINC001206003471 1091446595 /nfs/dbraw/zinc/44/65/95/1091446595.db2.gz IIGJHMLRQWHGEH-HOTGVXAUSA-N 2 1 319.493 3.045 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCC[C@@H]1C[NH3+] ZINC001206012510 1091450251 /nfs/dbraw/zinc/45/02/51/1091450251.db2.gz MAFGOEPVORPYPQ-HUUCEWRRSA-N 2 1 304.478 3.497 20 10 DGCDMP COc1cc(C[N@@H+](C)Cc2cccs2)cc(C[NH+](C)C)c1O ZINC001139257122 1091501816 /nfs/dbraw/zinc/50/18/16/1091501816.db2.gz SCIZTZAVVAHLPF-UHFFFAOYSA-N 2 1 320.458 3.156 20 10 DGCDMP COc1cc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139253509 1091502599 /nfs/dbraw/zinc/50/25/99/1091502599.db2.gz WJJUEANVJJQPAE-OKILXGFUSA-N 2 1 306.450 3.225 20 10 DGCDMP COc1cc(O)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c(Cl)c1 ZINC001206325769 1091581983 /nfs/dbraw/zinc/58/19/83/1091581983.db2.gz JKGGSCVUPCNRQI-MRXNPFEDSA-N 2 1 312.841 3.005 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206371000 1091603698 /nfs/dbraw/zinc/60/36/98/1091603698.db2.gz QXRURGDYRBJSMB-GOSISDBHSA-N 2 1 308.441 3.343 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206371000 1091603702 /nfs/dbraw/zinc/60/37/02/1091603702.db2.gz QXRURGDYRBJSMB-GOSISDBHSA-N 2 1 308.441 3.343 20 10 DGCDMP [NH3+]CCC1CC[NH+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001206506689 1091652283 /nfs/dbraw/zinc/65/22/83/1091652283.db2.gz LLNUFGWQXHJVHW-UHFFFAOYSA-N 2 1 303.233 3.260 20 10 DGCDMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001206770069 1091733489 /nfs/dbraw/zinc/73/34/89/1091733489.db2.gz QIJDBNRHYAFBGI-CVEARBPZSA-N 2 1 311.473 3.465 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)c2c1 ZINC001206805714 1091748035 /nfs/dbraw/zinc/74/80/35/1091748035.db2.gz CRQVZALISDXYQH-ZIAGYGMSSA-N 2 1 314.429 3.113 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)C3CC(F)(F)C3)cc2)CC1 ZINC001140300069 1091819018 /nfs/dbraw/zinc/81/90/18/1091819018.db2.gz LKZURGIXLMBWPG-UHFFFAOYSA-N 2 1 323.431 3.058 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](CC3CC3)C3CC3)cc2)CC1 ZINC001140309341 1091819953 /nfs/dbraw/zinc/81/99/53/1091819953.db2.gz BSDWBTAGWIUCIU-UHFFFAOYSA-N 2 1 313.489 3.203 20 10 DGCDMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001140951012 1092076714 /nfs/dbraw/zinc/07/67/14/1092076714.db2.gz SZYXGBCLZJJSEX-BGYRXZFFSA-N 2 1 322.452 3.264 20 10 DGCDMP Oc1cc(Cl)ccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001207786740 1092100818 /nfs/dbraw/zinc/10/08/18/1092100818.db2.gz AUGVIXABMBKEBJ-UHFFFAOYSA-N 2 1 317.820 3.199 20 10 DGCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000315473546 1095108569 /nfs/dbraw/zinc/10/85/69/1095108569.db2.gz KCSDXZZGEVZTCQ-XJKSGUPXSA-N 2 1 300.446 3.465 20 10 DGCDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC001116565794 1095602374 /nfs/dbraw/zinc/60/23/74/1095602374.db2.gz XDISXFBNVGBZRE-GZBFAFLISA-N 2 1 306.425 3.401 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001118243723 1095966484 /nfs/dbraw/zinc/96/64/84/1095966484.db2.gz ZPDQGLXQTJBOSF-HWKANZROSA-N 2 1 313.489 3.231 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cc(Cl)c(C)cc3O)C[C@H]2C1 ZINC001231871461 1097871969 /nfs/dbraw/zinc/87/19/69/1097871969.db2.gz KZRQACDBZZZWCE-HUUCEWRRSA-N 2 1 308.853 3.128 20 10 DGCDMP COc1cc(O)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1Cl ZINC001206317768 1098731744 /nfs/dbraw/zinc/73/17/44/1098731744.db2.gz IIMLBRDIJONGSV-MRXNPFEDSA-N 2 1 312.841 3.005 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235030864 1098759314 /nfs/dbraw/zinc/75/93/14/1098759314.db2.gz HBTPWWLRHLOYNM-HXUWFJFHSA-N 2 1 309.457 3.280 20 10 DGCDMP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235171305 1098853256 /nfs/dbraw/zinc/85/32/56/1098853256.db2.gz DFTVIVLYHWFFCY-QFBILLFUSA-N 2 1 312.388 3.121 20 10 DGCDMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235171305 1098853268 /nfs/dbraw/zinc/85/32/68/1098853268.db2.gz DFTVIVLYHWFFCY-QFBILLFUSA-N 2 1 312.388 3.121 20 10 DGCDMP CC(C)(C)c1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc1Cl ZINC001235256343 1098927028 /nfs/dbraw/zinc/92/70/28/1098927028.db2.gz SDBGVHYOCSTAPW-WBIUFABUSA-N 2 1 308.853 3.265 20 10 DGCDMP CC(C)(C)c1cc(O)c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc1Cl ZINC001235256343 1098927043 /nfs/dbraw/zinc/92/70/43/1098927043.db2.gz SDBGVHYOCSTAPW-WBIUFABUSA-N 2 1 308.853 3.265 20 10 DGCDMP Nc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235385196 1098989211 /nfs/dbraw/zinc/98/92/11/1098989211.db2.gz UCNPIMPMHKQSPA-CTNGQTDRSA-N 2 1 321.468 3.022 20 10 DGCDMP CCC[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235693581 1099132177 /nfs/dbraw/zinc/13/21/77/1099132177.db2.gz DGIBEWOPGXQRRJ-SFHVURJKSA-N 2 1 301.478 3.251 20 10 DGCDMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c(O)ccc(F)c1Cl ZINC001235718310 1099146086 /nfs/dbraw/zinc/14/60/86/1099146086.db2.gz XMBUTNBNMMLMKU-UHFFFAOYSA-N 2 1 300.805 3.006 20 10 DGCDMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985534 1099310382 /nfs/dbraw/zinc/31/03/82/1099310382.db2.gz CTICOXQLMXHYDZ-QFBILLFUSA-N 2 1 312.388 3.121 20 10 DGCDMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985534 1099310388 /nfs/dbraw/zinc/31/03/88/1099310388.db2.gz CTICOXQLMXHYDZ-QFBILLFUSA-N 2 1 312.388 3.121 20 10 DGCDMP CC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CCC[NH2+]C1 ZINC001236011252 1099335295 /nfs/dbraw/zinc/33/52/95/1099335295.db2.gz WGPNUOLQGFEXMB-HNNXBMFYSA-N 2 1 314.429 3.128 20 10 DGCDMP CC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CCC[NH2+]C1 ZINC001236011252 1099335306 /nfs/dbraw/zinc/33/53/06/1099335306.db2.gz WGPNUOLQGFEXMB-HNNXBMFYSA-N 2 1 314.429 3.128 20 10 DGCDMP C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236071240 1099370712 /nfs/dbraw/zinc/37/07/12/1099370712.db2.gz HLMVPDIAMIJOTR-QGZVFWFLSA-N 2 1 321.468 3.043 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@H+](C(C)C)[C@H]3CC[NH2+]C3)c2c1 ZINC001236529594 1099664476 /nfs/dbraw/zinc/66/44/76/1099664476.db2.gz OVWSYNFVYRGDDV-HNNXBMFYSA-N 2 1 314.429 3.126 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@@H+](C(C)C)[C@H]3CC[NH2+]C3)c2c1 ZINC001236529594 1099664481 /nfs/dbraw/zinc/66/44/81/1099664481.db2.gz OVWSYNFVYRGDDV-HNNXBMFYSA-N 2 1 314.429 3.126 20 10 DGCDMP CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236933924 1099882447 /nfs/dbraw/zinc/88/24/47/1099882447.db2.gz AXKDKRHIGYWXGV-KRWDZBQOSA-N 2 1 319.468 3.342 20 10 DGCDMP CC(C)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)CC1CC1 ZINC001236940438 1099882993 /nfs/dbraw/zinc/88/29/93/1099882993.db2.gz RCDQLNVSEYJFEP-UHFFFAOYSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)[C@@H](C)C1 ZINC001236939660 1099883027 /nfs/dbraw/zinc/88/30/27/1099883027.db2.gz UCWBWXHQKIBNIK-CVEARBPZSA-N 2 1 319.468 3.198 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237379614 1100099476 /nfs/dbraw/zinc/09/94/76/1100099476.db2.gz CCGBSAIEODQGSC-IEBWSBKVSA-N 2 1 301.478 3.107 20 10 DGCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)(C)C ZINC001326791099 1103444318 /nfs/dbraw/zinc/44/43/18/1103444318.db2.gz OUYFHPOSZASDDV-CQSZACIVSA-N 2 1 307.457 3.102 20 10 DGCDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc3ccccc3c1O)C2 ZINC001276374322 1103697048 /nfs/dbraw/zinc/69/70/48/1103697048.db2.gz WFQJOTGXGGFWIU-FQEVSTJZSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC001276374322 1103697052 /nfs/dbraw/zinc/69/70/52/1103697052.db2.gz WFQJOTGXGGFWIU-FQEVSTJZSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC001276374322 1103697056 /nfs/dbraw/zinc/69/70/56/1103697056.db2.gz WFQJOTGXGGFWIU-FQEVSTJZSA-N 2 1 310.441 3.463 20 10 DGCDMP C[N@H+]1CCC[C@@]2(CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC001275275319 1104700358 /nfs/dbraw/zinc/70/03/58/1104700358.db2.gz GWFUYIXXHWVXSJ-QGZVFWFLSA-N 2 1 308.853 3.353 20 10 DGCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC001256202037 1106389772 /nfs/dbraw/zinc/38/97/72/1106389772.db2.gz SGONVPUONVMJMF-GOSISDBHSA-N 2 1 302.462 3.316 20 10 DGCDMP Cc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1O ZINC001258137594 1106680248 /nfs/dbraw/zinc/68/02/48/1106680248.db2.gz HUQGKZXQWCSSSZ-UHFFFAOYSA-N 2 1 324.468 3.497 20 10 DGCDMP CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001323290837 1107920374 /nfs/dbraw/zinc/92/03/74/1107920374.db2.gz KFMRPYCOCLONBD-INIZCTEOSA-N 2 1 319.468 3.200 20 10 DGCDMP CC[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001323290837 1107920384 /nfs/dbraw/zinc/92/03/84/1107920384.db2.gz KFMRPYCOCLONBD-INIZCTEOSA-N 2 1 319.468 3.200 20 10 DGCDMP CC[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001323290837 1107920392 /nfs/dbraw/zinc/92/03/92/1107920392.db2.gz KFMRPYCOCLONBD-INIZCTEOSA-N 2 1 319.468 3.200 20 10 DGCDMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319797782 1108638653 /nfs/dbraw/zinc/63/86/53/1108638653.db2.gz RZCAXXTUMILDPA-HZPDHXFCSA-N 2 1 319.468 3.055 20 10 DGCDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273559468 130137348 /nfs/dbraw/zinc/13/73/48/130137348.db2.gz HSXHJDZJWRICOC-JTQLQIEISA-N 2 1 324.222 3.010 20 10 DGCDMP COc1cccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1O ZINC000074314569 431411941 /nfs/dbraw/zinc/41/19/41/431411941.db2.gz VEMUDSGXRFEUDV-UHFFFAOYSA-N 2 1 314.429 3.013 20 10 DGCDMP COc1cccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1O ZINC000074314569 431411949 /nfs/dbraw/zinc/41/19/49/431411949.db2.gz VEMUDSGXRFEUDV-UHFFFAOYSA-N 2 1 314.429 3.013 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)c(O)c1 ZINC000093693578 431917684 /nfs/dbraw/zinc/91/76/84/431917684.db2.gz NKHAPYJUUSPHGL-INIZCTEOSA-N 2 1 320.477 3.345 20 10 DGCDMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271038554 432320216 /nfs/dbraw/zinc/32/02/16/432320216.db2.gz LKJRAXYDYHZEAM-UHFFFAOYSA-N 2 1 307.457 3.196 20 10 DGCDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271038554 432320220 /nfs/dbraw/zinc/32/02/20/432320220.db2.gz LKJRAXYDYHZEAM-UHFFFAOYSA-N 2 1 307.457 3.196 20 10 DGCDMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430717 432332212 /nfs/dbraw/zinc/33/22/12/432332212.db2.gz YDUAXUQRACYFKK-BEFAXECRSA-N 2 1 301.478 3.278 20 10 DGCDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(O)c1C ZINC000278778199 432900689 /nfs/dbraw/zinc/90/06/89/432900689.db2.gz YECNSVDHBIZTHE-DOTOQJQBSA-N 2 1 320.477 3.161 20 10 DGCDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000376000160 433638393 /nfs/dbraw/zinc/63/83/93/433638393.db2.gz NSWVDMJKUADOAQ-UHFFFAOYSA-N 2 1 308.853 3.353 20 10 DGCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000743387915 575048657 /nfs/dbraw/zinc/04/86/57/575048657.db2.gz PLSNRZGUKQXPAA-HNNXBMFYSA-N 2 1 313.445 3.104 20 10 DGCDMP CCOCc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000747852775 575546268 /nfs/dbraw/zinc/54/62/68/575546268.db2.gz GFXBUAWMYDKMNY-KRWDZBQOSA-N 2 1 320.477 3.052 20 10 DGCDMP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1O ZINC000925879444 618651375 /nfs/dbraw/zinc/65/13/75/618651375.db2.gz DRSCIOCOHVUHTJ-MXWKQRLJSA-N 2 1 302.340 3.189 20 10 DGCDMP COc1cc(C)cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1O ZINC000895682201 618818115 /nfs/dbraw/zinc/81/81/15/618818115.db2.gz CTVQBPGLEUDLML-UHFFFAOYSA-N 2 1 320.477 3.407 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903098252 619715927 /nfs/dbraw/zinc/71/59/27/619715927.db2.gz MGEPGZIDDJHQNE-XGSMCBPESA-N 2 1 313.489 3.308 20 10 DGCDMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000903955412 619846671 /nfs/dbraw/zinc/84/66/71/619846671.db2.gz RGYFAZVRXORWEJ-INIZCTEOSA-N 2 1 323.431 3.011 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000858100268 621152854 /nfs/dbraw/zinc/15/28/54/621152854.db2.gz ASVBPFQGIUDRQR-QGZVFWFLSA-N 2 1 303.494 3.495 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1N(C)C ZINC000923327618 621176411 /nfs/dbraw/zinc/17/64/11/621176411.db2.gz DWEFTRFJKUNNKB-MSOLQXFVSA-N 2 1 301.478 3.025 20 10 DGCDMP Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1N(C)C ZINC000923382319 621180322 /nfs/dbraw/zinc/18/03/22/621180322.db2.gz BVIWJLIWHFDXHA-INIZCTEOSA-N 2 1 301.478 3.025 20 10 DGCDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839182837 621343826 /nfs/dbraw/zinc/34/38/26/621343826.db2.gz QCOJWVQIEADDDX-LJQANCHMSA-N 2 1 315.505 3.498 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1F ZINC000768545736 622464040 /nfs/dbraw/zinc/46/40/40/622464040.db2.gz CJAOUCLAXVYMPV-KRWDZBQOSA-N 2 1 321.484 3.446 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1F ZINC000768545736 622464041 /nfs/dbraw/zinc/46/40/41/622464041.db2.gz CJAOUCLAXVYMPV-KRWDZBQOSA-N 2 1 321.484 3.446 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000768545736 622464044 /nfs/dbraw/zinc/46/40/44/622464044.db2.gz CJAOUCLAXVYMPV-KRWDZBQOSA-N 2 1 321.484 3.446 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000768545736 622464045 /nfs/dbraw/zinc/46/40/45/622464045.db2.gz CJAOUCLAXVYMPV-KRWDZBQOSA-N 2 1 321.484 3.446 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000773752821 623067198 /nfs/dbraw/zinc/06/71/98/623067198.db2.gz KJMJYAYQJFNXDD-IBGZPJMESA-N 2 1 315.505 3.451 20 10 DGCDMP CC(C)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CCC1 ZINC000775175940 623237558 /nfs/dbraw/zinc/23/75/58/623237558.db2.gz IBGJWMMWXBTLTG-UHFFFAOYSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775654240 623305019 /nfs/dbraw/zinc/30/50/19/623305019.db2.gz JKYMZOQIPFGBCC-QGZVFWFLSA-N 2 1 301.478 3.060 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C(C)(C)C)cc2)CC1 ZINC000775678994 623312755 /nfs/dbraw/zinc/31/27/55/623312755.db2.gz KVZAZOADAFUTBL-LJQANCHMSA-N 2 1 315.505 3.449 20 10 DGCDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(-c4ccccc4)ccc3O)C[C@@H]2C1 ZINC000787305723 624999498 /nfs/dbraw/zinc/99/94/98/624999498.db2.gz NUJQOAYIPXOYRP-KDURUIRLSA-N 2 1 308.425 3.053 20 10 DGCDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C[C@@H]2C1 ZINC000787305723 624999499 /nfs/dbraw/zinc/99/94/99/624999499.db2.gz NUJQOAYIPXOYRP-KDURUIRLSA-N 2 1 308.425 3.053 20 10 DGCDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)ccc3O)C[C@@H]2C1 ZINC000787305723 624999500 /nfs/dbraw/zinc/99/95/00/624999500.db2.gz NUJQOAYIPXOYRP-KDURUIRLSA-N 2 1 308.425 3.053 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000796772267 626081142 /nfs/dbraw/zinc/08/11/42/626081142.db2.gz PQWIAKNWJBEUHB-QRVBRYPASA-N 2 1 301.478 3.023 20 10 DGCDMP C[NH+]1CCC2(CCC[N@@H+](Cc3c(O)cccc3Cl)C2)CC1 ZINC000798956784 626262402 /nfs/dbraw/zinc/26/24/02/626262402.db2.gz ORFGJOYOYWFJCH-UHFFFAOYSA-N 2 1 308.853 3.353 20 10 DGCDMP CCOc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(O)c1 ZINC000798957137 626262672 /nfs/dbraw/zinc/26/26/72/626262672.db2.gz WBTGLRDFFDOEQA-UHFFFAOYSA-N 2 1 318.461 3.099 20 10 DGCDMP CN(C)c1ccc(C[N@H+](C)CCC[NH+](C)C)c(C(F)(F)F)c1 ZINC000809729654 626942330 /nfs/dbraw/zinc/94/23/30/626942330.db2.gz NHMRLHKBZDQEGN-UHFFFAOYSA-N 2 1 317.399 3.155 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)CCC[NH+](C)C)c(C(F)(F)F)c1 ZINC000809729654 626942331 /nfs/dbraw/zinc/94/23/31/626942331.db2.gz NHMRLHKBZDQEGN-UHFFFAOYSA-N 2 1 317.399 3.155 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C4CC4)C3)cc2)CC1 ZINC000809786798 626953030 /nfs/dbraw/zinc/95/30/30/626953030.db2.gz LFNDMBJHFQCFGF-LJQANCHMSA-N 2 1 313.489 3.060 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000814178504 627547305 /nfs/dbraw/zinc/54/73/05/627547305.db2.gz SKQKYFKBJFETDF-LJQANCHMSA-N 2 1 301.478 3.060 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000814178504 627547306 /nfs/dbraw/zinc/54/73/06/627547306.db2.gz SKQKYFKBJFETDF-LJQANCHMSA-N 2 1 301.478 3.060 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000814178504 627547309 /nfs/dbraw/zinc/54/73/09/627547309.db2.gz SKQKYFKBJFETDF-LJQANCHMSA-N 2 1 301.478 3.060 20 10 DGCDMP Cc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1N(C)C ZINC000815054067 627619970 /nfs/dbraw/zinc/61/99/70/627619970.db2.gz FXDHSKIVYHPQKP-SFHVURJKSA-N 2 1 303.494 3.367 20 10 DGCDMP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)ccc1N(C)C ZINC000815054067 627619971 /nfs/dbraw/zinc/61/99/71/627619971.db2.gz FXDHSKIVYHPQKP-SFHVURJKSA-N 2 1 303.494 3.367 20 10 DGCDMP Cc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)ccc1N(C)C ZINC000815054067 627619972 /nfs/dbraw/zinc/61/99/72/627619972.db2.gz FXDHSKIVYHPQKP-SFHVURJKSA-N 2 1 303.494 3.367 20 10 DGCDMP Cc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1N(C)C ZINC000815108129 627627420 /nfs/dbraw/zinc/62/74/20/627627420.db2.gz XVPGUXZKZZVUQK-UHFFFAOYSA-N 2 1 315.505 3.369 20 10 DGCDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc4ccccc4c3O)CC[C@@H]21 ZINC000816521237 627801876 /nfs/dbraw/zinc/80/18/76/627801876.db2.gz KLUPJGIADMOLFN-APWZRJJASA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)CC[C@@H]21 ZINC000816521237 627801879 /nfs/dbraw/zinc/80/18/79/627801879.db2.gz KLUPJGIADMOLFN-APWZRJJASA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CC[C@@H]21 ZINC000816521237 627801883 /nfs/dbraw/zinc/80/18/83/627801883.db2.gz KLUPJGIADMOLFN-APWZRJJASA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+](C)C1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000817415901 627897373 /nfs/dbraw/zinc/89/73/73/627897373.db2.gz ADIJBSOPUZVMSQ-UHFFFAOYSA-N 2 1 300.805 3.147 20 10 DGCDMP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817953814 627973347 /nfs/dbraw/zinc/97/33/47/627973347.db2.gz RSMBPXVOTJZVLA-YPMHNXCESA-N 2 1 302.340 3.204 20 10 DGCDMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817958109 627975135 /nfs/dbraw/zinc/97/51/35/627975135.db2.gz HPZIUCQUSHYZHD-WMLDXEAASA-N 2 1 307.457 3.450 20 10 DGCDMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817958105 627975179 /nfs/dbraw/zinc/97/51/79/627975179.db2.gz HPZIUCQUSHYZHD-PBHICJAKSA-N 2 1 307.457 3.450 20 10 DGCDMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1O ZINC000817970389 627978568 /nfs/dbraw/zinc/97/85/68/627978568.db2.gz UKPWNVZTZZOBQW-AXFHLTTASA-N 2 1 302.340 3.332 20 10 DGCDMP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(Cl)c(Cl)cc1O ZINC000817980648 627982560 /nfs/dbraw/zinc/98/25/60/627982560.db2.gz CTVBCHSPQPVSIL-GUBZILKMSA-N 2 1 303.233 3.477 20 10 DGCDMP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(F)cc1O ZINC000817983364 627983390 /nfs/dbraw/zinc/98/33/90/627983390.db2.gz ATJQBKSFJTVFNL-SYTRPRECSA-N 2 1 318.436 3.336 20 10 DGCDMP C[C@H]1CC2(C[N@@H+]1Cc1c(O)ccc(Cl)c1F)CC[NH2+]CC2 ZINC000818431607 628022585 /nfs/dbraw/zinc/02/25/85/628022585.db2.gz PUJDTCPNTWZPIA-NSHDSACASA-N 2 1 312.816 3.149 20 10 DGCDMP C[C@H]1CC2(C[N@H+]1Cc1c(O)ccc(Cl)c1F)CC[NH2+]CC2 ZINC000818431607 628022588 /nfs/dbraw/zinc/02/25/88/628022588.db2.gz PUJDTCPNTWZPIA-NSHDSACASA-N 2 1 312.816 3.149 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000818430889 628022701 /nfs/dbraw/zinc/02/27/01/628022701.db2.gz BABMAXNRRUYRFK-INIZCTEOSA-N 2 1 301.478 3.025 20 10 DGCDMP C[NH+](C)CCCC(C)(C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000824914693 628705496 /nfs/dbraw/zinc/70/54/96/628705496.db2.gz XIIXZBQOXUTSKP-UHFFFAOYSA-N 2 1 302.821 3.395 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000824933043 628708546 /nfs/dbraw/zinc/70/85/46/628708546.db2.gz ATLPQPPEKUDHKR-XJKSGUPXSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000824933043 628708547 /nfs/dbraw/zinc/70/85/47/628708547.db2.gz ATLPQPPEKUDHKR-XJKSGUPXSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000824933043 628708552 /nfs/dbraw/zinc/70/85/52/628708552.db2.gz ATLPQPPEKUDHKR-XJKSGUPXSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825089576 628726197 /nfs/dbraw/zinc/72/61/97/628726197.db2.gz FUCBCWYPQMOPOP-NSHDSACASA-N 2 1 307.825 3.285 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835026115 629828213 /nfs/dbraw/zinc/82/82/13/629828213.db2.gz QMDXNSFXYFLSPS-TVYZCSMLSA-N 2 1 315.505 3.428 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835026115 629828215 /nfs/dbraw/zinc/82/82/15/629828215.db2.gz QMDXNSFXYFLSPS-TVYZCSMLSA-N 2 1 315.505 3.428 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000835026115 629828218 /nfs/dbraw/zinc/82/82/18/629828218.db2.gz QMDXNSFXYFLSPS-TVYZCSMLSA-N 2 1 315.505 3.428 20 10 DGCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835035518 629830541 /nfs/dbraw/zinc/83/05/41/629830541.db2.gz IVWCBYFTQRORQC-JFDDCEBESA-N 2 1 312.461 3.197 20 10 DGCDMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2c1c(F)ccc2O ZINC000840811205 630361380 /nfs/dbraw/zinc/36/13/80/630361380.db2.gz ZOPXSFSWUFGXLH-NFAWXSAZSA-N 2 1 306.425 3.401 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000840892566 630373961 /nfs/dbraw/zinc/37/39/61/630373961.db2.gz BANNPEGDYXNGQR-LZLYRXPVSA-N 2 1 303.494 3.064 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000840892566 630373962 /nfs/dbraw/zinc/37/39/62/630373962.db2.gz BANNPEGDYXNGQR-LZLYRXPVSA-N 2 1 303.494 3.064 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(Cl)c1 ZINC000840920405 630378794 /nfs/dbraw/zinc/37/87/94/630378794.db2.gz GPUNFPSDPNUNJO-CZUORRHYSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000840920405 630378798 /nfs/dbraw/zinc/37/87/98/630378798.db2.gz GPUNFPSDPNUNJO-CZUORRHYSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000840920405 630378801 /nfs/dbraw/zinc/37/88/01/630378801.db2.gz GPUNFPSDPNUNJO-CZUORRHYSA-N 2 1 308.853 3.270 20 10 DGCDMP [NH3+]C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000841087786 630406964 /nfs/dbraw/zinc/40/69/64/630406964.db2.gz PJQIPVKCFCRURC-LJQANCHMSA-N 2 1 301.478 3.284 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843043929 630607648 /nfs/dbraw/zinc/60/76/48/630607648.db2.gz DCBWPCBMTLGFBX-PKOBYXMFSA-N 2 1 301.478 3.025 20 10 DGCDMP Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350544 631901787 /nfs/dbraw/zinc/90/17/87/631901787.db2.gz PUNKVRWSFSMRFX-CQSZACIVSA-N 2 1 308.853 3.257 20 10 DGCDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160315496 655606008 /nfs/dbraw/zinc/60/60/08/655606008.db2.gz KNCFPCYIZHAARW-MRXNPFEDSA-N 2 1 316.489 3.435 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160315496 655606010 /nfs/dbraw/zinc/60/60/10/655606010.db2.gz KNCFPCYIZHAARW-MRXNPFEDSA-N 2 1 316.489 3.435 20 10 DGCDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160315496 655606011 /nfs/dbraw/zinc/60/60/11/655606011.db2.gz KNCFPCYIZHAARW-MRXNPFEDSA-N 2 1 316.489 3.435 20 10 DGCDMP Cc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000172507629 659341307 /nfs/dbraw/zinc/34/13/07/659341307.db2.gz GNVIOZDCFLAKKQ-OAHLLOKOSA-N 2 1 304.478 3.382 20 10 DGCDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2c(O)ccc3ccccc32)C1 ZINC000246197276 662250421 /nfs/dbraw/zinc/25/04/21/662250421.db2.gz AKRPREMIDIUEGI-QFBILLFUSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2c(O)ccc3ccccc32)C1 ZINC000246197276 662250422 /nfs/dbraw/zinc/25/04/22/662250422.db2.gz AKRPREMIDIUEGI-QFBILLFUSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2c(O)ccc3ccccc32)C1 ZINC000246197276 662250425 /nfs/dbraw/zinc/25/04/25/662250425.db2.gz AKRPREMIDIUEGI-QFBILLFUSA-N 2 1 310.441 3.462 20 10 DGCDMP COc1cc(C)cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1O ZINC001331527701 1178234307 /nfs/dbraw/zinc/23/43/07/1178234307.db2.gz CMJWNOHOJJNLNP-HNNXBMFYSA-N 2 1 306.450 3.063 20 10 DGCDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)C[C@@H]2C1 ZINC001334723855 1178786397 /nfs/dbraw/zinc/78/63/97/1178786397.db2.gz HSICFGCSBPCZPY-JENIJYKNSA-N 2 1 314.473 3.043 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1C ZINC001335238711 1178877732 /nfs/dbraw/zinc/87/77/32/1178877732.db2.gz TZPTXAZMEZYFCB-BQFCYCMXSA-N 2 1 302.462 3.171 20 10 DGCDMP CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347236158 1179785595 /nfs/dbraw/zinc/78/55/95/1179785595.db2.gz WNBMRQJNGFUVKJ-NVXWUHKLSA-N 2 1 319.468 3.340 20 10 DGCDMP CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347236158 1179785597 /nfs/dbraw/zinc/78/55/97/1179785597.db2.gz WNBMRQJNGFUVKJ-NVXWUHKLSA-N 2 1 319.468 3.340 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001356057026 1181133668 /nfs/dbraw/zinc/13/36/68/1181133668.db2.gz LCIQFEAHTVFNBO-XYJFISCASA-N 2 1 302.462 3.171 20 10 DGCDMP Oc1cc(Cl)ccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC001474647579 1183954492 /nfs/dbraw/zinc/95/44/92/1183954492.db2.gz NSEZSZJIURKKFZ-UHFFFAOYSA-N 2 1 308.853 3.257 20 10 DGCDMP C[C@@H]([NH2+]Cc1cccc(F)c1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560749249 1189374654 /nfs/dbraw/zinc/37/46/54/1189374654.db2.gz DHFXHZRXYPNANJ-UKRRQHHQSA-N 2 1 306.425 3.274 20 10 DGCDMP C[C@@H]([NH2+]Cc1cccc(F)c1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749249 1189374659 /nfs/dbraw/zinc/37/46/59/1189374659.db2.gz DHFXHZRXYPNANJ-UKRRQHHQSA-N 2 1 306.425 3.274 20 10 DGCDMP COc1cc(C)c(C[N@@H+](C)CCCC[NH+]2CCCCC2)c(O)c1 ZINC001621497038 1193850738 /nfs/dbraw/zinc/85/07/38/1193850738.db2.gz UXZPPQPGDIPSOS-UHFFFAOYSA-N 2 1 320.477 3.407 20 10 DGCDMP CC(C)c1ccc(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC001663554647 1196903590 /nfs/dbraw/zinc/90/35/90/1196903590.db2.gz JKUKLHBZAAHYOO-MRXNPFEDSA-N 2 1 302.462 3.433 20 10 DGCDMP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1O ZINC000318839834 1199835392 /nfs/dbraw/zinc/83/53/92/1199835392.db2.gz HYSXNOFBMSTKAC-QGZVFWFLSA-N 2 1 324.852 3.020 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)c1O ZINC000318839834 1199835396 /nfs/dbraw/zinc/83/53/96/1199835396.db2.gz HYSXNOFBMSTKAC-QGZVFWFLSA-N 2 1 324.852 3.020 20 10 DGCDMP CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C1CCCCC1 ZINC001204599221 1082637066 /nfs/dbraw/zinc/63/70/66/1082637066.db2.gz ULCWXRGDHQCVNA-UHFFFAOYSA-N 2 1 301.478 3.251 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CCC([NH+](C)C)CC1 ZINC001168329166 1087296182 /nfs/dbraw/zinc/29/61/82/1087296182.db2.gz NZJMGNDUVWDRTI-UHFFFAOYSA-N 2 1 303.494 3.447 20 10 DGCDMP COc1ccc(O)c(C[N@@H+](C2CCCC2)C2CCN(C)CC2)c1 ZINC001203684328 1090779788 /nfs/dbraw/zinc/77/97/88/1090779788.db2.gz RTMNSLMORGLUIR-UHFFFAOYSA-N 2 1 318.461 3.240 20 10 DGCDMP CC(C)c1ccc(O)c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC001205406664 1091214009 /nfs/dbraw/zinc/21/40/09/1091214009.db2.gz SNIQTLFKVKRRNM-INIZCTEOSA-N 2 1 320.477 3.106 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CC[C@@H]1C[NH3+] ZINC001205637047 1091290737 /nfs/dbraw/zinc/29/07/37/1091290737.db2.gz GHHNFOVOIVFIKK-HUUCEWRRSA-N 2 1 304.478 3.497 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@@H]1C[NH3+] ZINC001205638613 1091291885 /nfs/dbraw/zinc/29/18/85/1091291885.db2.gz PYMHIKXTIDKSDM-NWDGAFQWSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CC[C@@H]1C[NH3+] ZINC001205651102 1091296697 /nfs/dbraw/zinc/29/66/97/1091296697.db2.gz ADZNJMGUEAYPAO-NWDGAFQWSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CC[C@@H]1C[NH3+] ZINC001205651104 1091296976 /nfs/dbraw/zinc/29/69/76/1091296976.db2.gz ADZNJMGUEAYPAO-VXGBXAGGSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817849 1091363518 /nfs/dbraw/zinc/36/35/18/1091363518.db2.gz RPXRHJOUSMIICY-APWZRJJASA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001205817849 1091363531 /nfs/dbraw/zinc/36/35/31/1091363531.db2.gz RPXRHJOUSMIICY-APWZRJJASA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCC[C@@H]1C[NH3+] ZINC001205993488 1091440037 /nfs/dbraw/zinc/44/00/37/1091440037.db2.gz HUGBBOXACYZIFG-FUHWJXTLSA-N 2 1 301.478 3.094 20 10 DGCDMP CC[C@@H]1CCCC[N@H+]1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258030 1091501497 /nfs/dbraw/zinc/50/14/97/1091501497.db2.gz KBCZQGOFHAOGRQ-MRXNPFEDSA-N 2 1 306.450 3.227 20 10 DGCDMP COc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139258229 1091503325 /nfs/dbraw/zinc/50/33/25/1091503325.db2.gz NBUPKHJDSSTALT-ZIAGYGMSSA-N 2 1 306.450 3.083 20 10 DGCDMP C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139404589 1091550195 /nfs/dbraw/zinc/55/01/95/1091550195.db2.gz PVWSUUJEDUMCHU-CALCHBBNSA-N 2 1 301.478 3.201 20 10 DGCDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)CC ZINC001139404562 1091550221 /nfs/dbraw/zinc/55/02/21/1091550221.db2.gz OPNLBKKIANDYRN-QGZVFWFLSA-N 2 1 303.494 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206616794 1091690715 /nfs/dbraw/zinc/69/07/15/1091690715.db2.gz QHLBPWKIEFRXER-INIZCTEOSA-N 2 1 319.493 3.102 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C)C[C@@H]3C)cc2)CC1 ZINC001140303832 1091819504 /nfs/dbraw/zinc/81/95/04/1091819504.db2.gz BKPBKGOCKRYNQJ-ROUUACIJSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CC3CCCC3)cc2)CC1 ZINC001140306015 1091819740 /nfs/dbraw/zinc/81/97/40/1091819740.db2.gz KORXKLZVTLFDDF-UHFFFAOYSA-N 2 1 315.505 3.451 20 10 DGCDMP CC[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001140309690 1091820221 /nfs/dbraw/zinc/82/02/21/1091820221.db2.gz QSQPGIHQTLNRQU-QGZVFWFLSA-N 2 1 301.478 3.060 20 10 DGCDMP CC[N@@H+](CCC[NH+](C)C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078167 1092131592 /nfs/dbraw/zinc/13/15/92/1092131592.db2.gz NLPAOFOCXPKDHY-UHFFFAOYSA-N 2 1 315.505 3.159 20 10 DGCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc4ccccc4cc3O)C[C@H]2CC1 ZINC001276812532 1095083214 /nfs/dbraw/zinc/08/32/14/1095083214.db2.gz HCVVKHDPUTVSJV-HDICACEKSA-N 2 1 310.441 3.319 20 10 DGCDMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc3ccccc3cc1O)CC2 ZINC001276812950 1095090514 /nfs/dbraw/zinc/09/05/14/1095090514.db2.gz LMRPILCVSCNIAR-UHFFFAOYSA-N 2 1 310.441 3.463 20 10 DGCDMP CC(C)c1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c(O)c1 ZINC001276815713 1095145736 /nfs/dbraw/zinc/14/57/36/1095145736.db2.gz YIINKLPYBXXAAO-UHFFFAOYSA-N 2 1 302.462 3.433 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000316871784 1095198034 /nfs/dbraw/zinc/19/80/34/1095198034.db2.gz WNZLDZRJAGAMAG-UGUYLWEFSA-N 2 1 300.446 3.465 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c2ccccc21 ZINC001222141993 1095454154 /nfs/dbraw/zinc/45/41/54/1095454154.db2.gz UUXDUEBYLZTQTE-NRFANRHFSA-N 2 1 323.484 3.481 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222160285 1095466473 /nfs/dbraw/zinc/46/64/73/1095466473.db2.gz DSDNUALITGUMKR-HXUWFJFHSA-N 2 1 315.505 3.498 20 10 DGCDMP Oc1c(F)cccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161076 1095467045 /nfs/dbraw/zinc/46/70/45/1095467045.db2.gz KOVZVFPTGKMDDM-GOSISDBHSA-N 2 1 306.425 3.277 20 10 DGCDMP Oc1c(F)cccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161076 1095467049 /nfs/dbraw/zinc/46/70/49/1095467049.db2.gz KOVZVFPTGKMDDM-GOSISDBHSA-N 2 1 306.425 3.277 20 10 DGCDMP Oc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222252615 1095512767 /nfs/dbraw/zinc/51/27/67/1095512767.db2.gz HRBLHERMBJEKDZ-HNNXBMFYSA-N 2 1 314.351 3.129 20 10 DGCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222252615 1095512774 /nfs/dbraw/zinc/51/27/74/1095512774.db2.gz HRBLHERMBJEKDZ-HNNXBMFYSA-N 2 1 314.351 3.129 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CC3(C2)CCC[NH2+]C3)c2ccccc21 ZINC001222335303 1095556384 /nfs/dbraw/zinc/55/63/84/1095556384.db2.gz FDXWFMZULOWYHU-UHFFFAOYSA-N 2 1 309.457 3.091 20 10 DGCDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc(C)c2O)CC1 ZINC001231593204 1097787183 /nfs/dbraw/zinc/78/71/83/1097787183.db2.gz SNFFPDVTKLYZBG-UHFFFAOYSA-N 2 1 311.429 3.143 20 10 DGCDMP Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093835 1098795700 /nfs/dbraw/zinc/79/57/00/1098795700.db2.gz RGNDPUBMAXVFRN-UHFFFAOYSA-N 2 1 315.244 3.275 20 10 DGCDMP Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093835 1098795709 /nfs/dbraw/zinc/79/57/09/1098795709.db2.gz RGNDPUBMAXVFRN-UHFFFAOYSA-N 2 1 315.244 3.275 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)c(O)c1 ZINC001235144412 1098835928 /nfs/dbraw/zinc/83/59/28/1098835928.db2.gz LCDVEBCHGDGMGE-UHFFFAOYSA-N 2 1 302.462 3.408 20 10 DGCDMP Cc1cc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)ccc1N(C)C ZINC001235167490 1098848523 /nfs/dbraw/zinc/84/85/23/1098848523.db2.gz JVNHCSGBNOLVBP-IBGZPJMESA-N 2 1 301.478 3.169 20 10 DGCDMP Cc1cc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)ccc1N(C)C ZINC001235167490 1098848532 /nfs/dbraw/zinc/84/85/32/1098848532.db2.gz JVNHCSGBNOLVBP-IBGZPJMESA-N 2 1 301.478 3.169 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235193974 1098871003 /nfs/dbraw/zinc/87/10/03/1098871003.db2.gz TZQCTYYVIGFZDW-RTBURBONSA-N 2 1 309.457 3.135 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235269181 1098939906 /nfs/dbraw/zinc/93/99/06/1098939906.db2.gz LJSJNLKUUWYQKA-AZUAARDMSA-N 2 1 309.457 3.278 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC001235269186 1098940594 /nfs/dbraw/zinc/94/05/94/1098940594.db2.gz LJSJNLKUUWYQKA-UYAOXDASSA-N 2 1 309.457 3.278 20 10 DGCDMP Cc1ccccc1C[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235663441 1099112776 /nfs/dbraw/zinc/11/27/76/1099112776.db2.gz VWOZRCJVKYZALH-UHFFFAOYSA-N 2 1 309.457 3.037 20 10 DGCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235682902 1099125886 /nfs/dbraw/zinc/12/58/86/1099125886.db2.gz RIWRMTFOYZDTOE-ZBFHGGJFSA-N 2 1 302.462 3.073 20 10 DGCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235682902 1099125889 /nfs/dbraw/zinc/12/58/89/1099125889.db2.gz RIWRMTFOYZDTOE-ZBFHGGJFSA-N 2 1 302.462 3.073 20 10 DGCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235682902 1099125892 /nfs/dbraw/zinc/12/58/92/1099125892.db2.gz RIWRMTFOYZDTOE-ZBFHGGJFSA-N 2 1 302.462 3.073 20 10 DGCDMP CC(C)(C)c1cc(O)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235936104 1099270499 /nfs/dbraw/zinc/27/04/99/1099270499.db2.gz HTEBVWQSNUPRCT-JSGCOSHPSA-N 2 1 322.880 3.384 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c2c1 ZINC001236215804 1099471982 /nfs/dbraw/zinc/47/19/82/1099471982.db2.gz IKEPUHHERFETQG-QZTJIDSGSA-N 2 1 314.429 3.256 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314341 1099528396 /nfs/dbraw/zinc/52/83/96/1099528396.db2.gz BHWUHTIHUNAJFK-KDURUIRLSA-N 2 1 313.489 3.108 20 10 DGCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2ccccc21 ZINC001236315092 1099529790 /nfs/dbraw/zinc/52/97/90/1099529790.db2.gz VSBDCDWDPLNJBK-CALCHBBNSA-N 2 1 323.484 3.337 20 10 DGCDMP Oc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322007 1099535224 /nfs/dbraw/zinc/53/52/24/1099535224.db2.gz ZZGXAHLKIWPHKK-PHIMTYICSA-N 2 1 315.244 3.130 20 10 DGCDMP Oc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236322007 1099535232 /nfs/dbraw/zinc/53/52/32/1099535232.db2.gz ZZGXAHLKIWPHKK-PHIMTYICSA-N 2 1 315.244 3.130 20 10 DGCDMP CCC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CC[NH2+]C1 ZINC001236324431 1099539575 /nfs/dbraw/zinc/53/95/75/1099539575.db2.gz PUFALJZNXKIQLT-HNNXBMFYSA-N 2 1 314.429 3.128 20 10 DGCDMP CCC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CC[NH2+]C1 ZINC001236324431 1099539584 /nfs/dbraw/zinc/53/95/84/1099539584.db2.gz PUFALJZNXKIQLT-HNNXBMFYSA-N 2 1 314.429 3.128 20 10 DGCDMP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C(F)(F)F)ccc1O ZINC001237147011 1099996699 /nfs/dbraw/zinc/99/66/99/1099996699.db2.gz YGVUKPHHIULKCE-UHFFFAOYSA-N 2 1 304.356 3.185 20 10 DGCDMP Cc1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1N(C)C ZINC001237156522 1100005421 /nfs/dbraw/zinc/00/54/21/1100005421.db2.gz XDBAWGZRBWTXSZ-SFHVURJKSA-N 2 1 301.478 3.168 20 10 DGCDMP Cc1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1N(C)C ZINC001237156522 1100005422 /nfs/dbraw/zinc/00/54/22/1100005422.db2.gz XDBAWGZRBWTXSZ-SFHVURJKSA-N 2 1 301.478 3.168 20 10 DGCDMP Cc1cccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c1O ZINC001237287858 1100063712 /nfs/dbraw/zinc/06/37/12/1100063712.db2.gz ABUAVQLLGPMWQV-UHFFFAOYSA-N 2 1 322.452 3.338 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237379613 1100099630 /nfs/dbraw/zinc/09/96/30/1100099630.db2.gz CCGBSAIEODQGSC-HKUYNNGSSA-N 2 1 301.478 3.107 20 10 DGCDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1C ZINC001201557883 1102650990 /nfs/dbraw/zinc/65/09/90/1102650990.db2.gz NHBZWSAKPTWQDY-GOSISDBHSA-N 2 1 304.478 3.461 20 10 DGCDMP C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947404 1102767474 /nfs/dbraw/zinc/76/74/74/1102767474.db2.gz XUVGCJNACXVNIA-CRAIPNDOSA-N 2 1 314.473 3.364 20 10 DGCDMP CC(C)[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC001246793612 1104679523 /nfs/dbraw/zinc/67/95/23/1104679523.db2.gz UYVXCVDBPUVOFP-WOJBJXKFSA-N 2 1 315.505 3.495 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1 ZINC001246901888 1104728475 /nfs/dbraw/zinc/72/84/75/1104728475.db2.gz PMJIIQJEUOCMFD-QZTJIDSGSA-N 2 1 303.494 3.351 20 10 DGCDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1c(O)ccc3ccccc31)C2 ZINC001276078498 1105008952 /nfs/dbraw/zinc/00/89/52/1105008952.db2.gz QGIFDNFGHBZJOQ-FQEVSTJZSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001276078498 1105008957 /nfs/dbraw/zinc/00/89/57/1105008957.db2.gz QGIFDNFGHBZJOQ-FQEVSTJZSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001276078498 1105008964 /nfs/dbraw/zinc/00/89/64/1105008964.db2.gz QGIFDNFGHBZJOQ-FQEVSTJZSA-N 2 1 310.441 3.463 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001256576298 1106449324 /nfs/dbraw/zinc/44/93/24/1106449324.db2.gz DXIRLZHUFCPVSS-UHFFFAOYSA-N 2 1 303.494 3.447 20 10 DGCDMP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C ZINC001320509420 1107033389 /nfs/dbraw/zinc/03/33/89/1107033389.db2.gz PYQQJFKMXYRFOY-JKSUJKDBSA-N 2 1 319.468 3.055 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C ZINC001320509420 1107033404 /nfs/dbraw/zinc/03/34/04/1107033404.db2.gz PYQQJFKMXYRFOY-JKSUJKDBSA-N 2 1 319.468 3.055 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3CC(C)(C)C3)cc2F)CC1 ZINC001320547031 1107049688 /nfs/dbraw/zinc/04/96/88/1107049688.db2.gz ATSRCWFASZQDPG-UHFFFAOYSA-N 2 1 319.468 3.103 20 10 DGCDMP CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC001320876919 1107172389 /nfs/dbraw/zinc/17/23/89/1107172389.db2.gz UAFNTGMATNLLCN-QFBILLFUSA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC001320876919 1107172397 /nfs/dbraw/zinc/17/23/97/1107172397.db2.gz UAFNTGMATNLLCN-QFBILLFUSA-N 2 1 303.494 3.305 20 10 DGCDMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC001320876919 1107172401 /nfs/dbraw/zinc/17/24/01/1107172401.db2.gz UAFNTGMATNLLCN-QFBILLFUSA-N 2 1 303.494 3.305 20 10 DGCDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186396 1107356490 /nfs/dbraw/zinc/35/64/90/1107356490.db2.gz FWKYBICKVSEDPM-QUCCMNQESA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186396 1107356505 /nfs/dbraw/zinc/35/65/05/1107356505.db2.gz FWKYBICKVSEDPM-QUCCMNQESA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCCC3)cc2)C1 ZINC001261186396 1107356521 /nfs/dbraw/zinc/35/65/21/1107356521.db2.gz FWKYBICKVSEDPM-QUCCMNQESA-N 2 1 313.489 3.203 20 10 DGCDMP [NH3+]C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC001261370938 1107420717 /nfs/dbraw/zinc/42/07/17/1107420717.db2.gz ZFIVEHNTPPNZCB-IBGZPJMESA-N 2 1 301.478 3.284 20 10 DGCDMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000155411962 288039232 /nfs/dbraw/zinc/03/92/32/288039232.db2.gz NFJQXTGOQOCQQT-JZXOWHBKSA-N 2 1 320.477 3.322 20 10 DGCDMP CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c(O)c1 ZINC000093639400 431915196 /nfs/dbraw/zinc/91/51/96/431915196.db2.gz JFGBYZKUDBPBRK-MAUKXSAKSA-N 2 1 320.477 3.343 20 10 DGCDMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c(O)c1 ZINC000093639400 431915199 /nfs/dbraw/zinc/91/51/99/431915199.db2.gz JFGBYZKUDBPBRK-MAUKXSAKSA-N 2 1 320.477 3.343 20 10 DGCDMP CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c(O)c1 ZINC000093639400 431915201 /nfs/dbraw/zinc/91/52/01/431915201.db2.gz JFGBYZKUDBPBRK-MAUKXSAKSA-N 2 1 320.477 3.343 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)c(O)c1 ZINC000093693576 431916763 /nfs/dbraw/zinc/91/67/63/431916763.db2.gz NKHAPYJUUSPHGL-MRXNPFEDSA-N 2 1 320.477 3.345 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C[C@@H]1n1ccnc1 ZINC000191442923 432265540 /nfs/dbraw/zinc/26/55/40/432265540.db2.gz SJPKRNAHUGEQES-FZMZJTMJSA-N 2 1 323.799 3.464 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(O)c1 ZINC000252799282 432388901 /nfs/dbraw/zinc/38/89/01/432388901.db2.gz AKBBALXAMRFFSH-YJBOKZPZSA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(O)c1 ZINC000252799282 432388903 /nfs/dbraw/zinc/38/89/03/432388903.db2.gz AKBBALXAMRFFSH-YJBOKZPZSA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(O)c1 ZINC000252799282 432388907 /nfs/dbraw/zinc/38/89/07/432388907.db2.gz AKBBALXAMRFFSH-YJBOKZPZSA-N 2 1 318.461 3.097 20 10 DGCDMP Cc1ccc(O)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192933496 432431505 /nfs/dbraw/zinc/43/15/05/432431505.db2.gz PEBPHFNYIUOLCV-GOSISDBHSA-N 2 1 310.441 3.312 20 10 DGCDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000184997634 432454486 /nfs/dbraw/zinc/45/44/86/432454486.db2.gz VMYULVXJILNGIL-GJZGRUSLSA-N 2 1 314.473 3.406 20 10 DGCDMP C[C@@H]([NH2+]Cc1ccccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272183375 432458301 /nfs/dbraw/zinc/45/83/01/432458301.db2.gz KNSVTZPQIHCRBO-APWZRJJASA-N 2 1 310.441 3.392 20 10 DGCDMP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1N(C)C ZINC000293487001 433757153 /nfs/dbraw/zinc/75/71/53/433757153.db2.gz GGTBZQMTDMLVDV-JWTNVVGKSA-N 2 1 301.478 3.118 20 10 DGCDMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1N(C)C ZINC000293487001 433757166 /nfs/dbraw/zinc/75/71/66/433757166.db2.gz GGTBZQMTDMLVDV-JWTNVVGKSA-N 2 1 301.478 3.118 20 10 DGCDMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1N(C)C ZINC000293487001 433757178 /nfs/dbraw/zinc/75/71/78/433757178.db2.gz GGTBZQMTDMLVDV-JWTNVVGKSA-N 2 1 301.478 3.118 20 10 DGCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000556877848 435035109 /nfs/dbraw/zinc/03/51/09/435035109.db2.gz MRHVJSUCSNTFAD-RCCFBDPRSA-N 2 1 311.473 3.449 20 10 DGCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)CCC3)C1 ZINC000743393381 575049143 /nfs/dbraw/zinc/04/91/43/575049143.db2.gz POWXQBOPHKAMDT-HNNXBMFYSA-N 2 1 302.462 3.045 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000743393381 575049145 /nfs/dbraw/zinc/04/91/45/575049145.db2.gz POWXQBOPHKAMDT-HNNXBMFYSA-N 2 1 302.462 3.045 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000743393381 575049147 /nfs/dbraw/zinc/04/91/47/575049147.db2.gz POWXQBOPHKAMDT-HNNXBMFYSA-N 2 1 302.462 3.045 20 10 DGCDMP CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000853093593 620667987 /nfs/dbraw/zinc/66/79/87/620667987.db2.gz ORMKFUFZSUYROP-KRWDZBQOSA-N 2 1 319.468 3.103 20 10 DGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840917999 618529825 /nfs/dbraw/zinc/52/98/25/618529825.db2.gz XTOUBNMTDXREJJ-QFBILLFUSA-N 2 1 303.494 3.223 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840917999 618529827 /nfs/dbraw/zinc/52/98/27/618529827.db2.gz XTOUBNMTDXREJJ-QFBILLFUSA-N 2 1 303.494 3.223 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840917999 618529829 /nfs/dbraw/zinc/52/98/29/618529829.db2.gz XTOUBNMTDXREJJ-QFBILLFUSA-N 2 1 303.494 3.223 20 10 DGCDMP COc1cc(C)cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1O ZINC000894053765 618700447 /nfs/dbraw/zinc/70/04/47/618700447.db2.gz IMSITCGKNMAHTI-INIZCTEOSA-N 2 1 306.450 3.015 20 10 DGCDMP COc1cc(C)cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1O ZINC000894053765 618700452 /nfs/dbraw/zinc/70/04/52/618700452.db2.gz IMSITCGKNMAHTI-INIZCTEOSA-N 2 1 306.450 3.015 20 10 DGCDMP COc1cc(C)cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1O ZINC000894053765 618700453 /nfs/dbraw/zinc/70/04/53/618700453.db2.gz IMSITCGKNMAHTI-INIZCTEOSA-N 2 1 306.450 3.015 20 10 DGCDMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756434011 621638364 /nfs/dbraw/zinc/63/83/64/621638364.db2.gz SWALXXVXFWHSDJ-FZMZJTMJSA-N 2 1 303.381 3.264 20 10 DGCDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756450213 621639703 /nfs/dbraw/zinc/63/97/03/621639703.db2.gz RCEJVFWOIBZPOC-NFAWXSAZSA-N 2 1 306.425 3.401 20 10 DGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000764966010 622236550 /nfs/dbraw/zinc/23/65/50/622236550.db2.gz WXRFIIRMTLKWMR-SNRMKQJTSA-N 2 1 301.478 3.420 20 10 DGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000764966010 622236552 /nfs/dbraw/zinc/23/65/52/622236552.db2.gz WXRFIIRMTLKWMR-SNRMKQJTSA-N 2 1 301.478 3.420 20 10 DGCDMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(N(C)C)cc1 ZINC000765140854 622248942 /nfs/dbraw/zinc/24/89/42/622248942.db2.gz HDVJXBKCTHRBPS-SFHVURJKSA-N 2 1 300.450 3.389 20 10 DGCDMP CN(C)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000129209967 625559157 /nfs/dbraw/zinc/55/91/57/625559157.db2.gz OHDGHQDPSOXACX-KRWDZBQOSA-N 2 1 319.468 3.342 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000129209967 625559165 /nfs/dbraw/zinc/55/91/65/625559165.db2.gz OHDGHQDPSOXACX-KRWDZBQOSA-N 2 1 319.468 3.342 20 10 DGCDMP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(N(C)C)cc1 ZINC000767349425 622391911 /nfs/dbraw/zinc/39/19/11/622391911.db2.gz SZSTUBPYMQGPPZ-IBGZPJMESA-N 2 1 303.494 3.447 20 10 DGCDMP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(N(C)C)cc1 ZINC000767349425 622391915 /nfs/dbraw/zinc/39/19/15/622391915.db2.gz SZSTUBPYMQGPPZ-IBGZPJMESA-N 2 1 303.494 3.447 20 10 DGCDMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(N(C)C)cc1 ZINC000767349425 622391918 /nfs/dbraw/zinc/39/19/18/622391918.db2.gz SZSTUBPYMQGPPZ-IBGZPJMESA-N 2 1 303.494 3.447 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000768546298 622463709 /nfs/dbraw/zinc/46/37/09/622463709.db2.gz IIHHNFLCIZKFQL-LJQANCHMSA-N 2 1 315.505 3.451 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000768546298 622463711 /nfs/dbraw/zinc/46/37/11/622463711.db2.gz IIHHNFLCIZKFQL-LJQANCHMSA-N 2 1 315.505 3.451 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000768546298 622463713 /nfs/dbraw/zinc/46/37/13/622463713.db2.gz IIHHNFLCIZKFQL-LJQANCHMSA-N 2 1 315.505 3.451 20 10 DGCDMP CCC1([NH+](C)C)CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000872670473 622950821 /nfs/dbraw/zinc/95/08/21/622950821.db2.gz DSSWDSASHDGNKP-UHFFFAOYSA-N 2 1 306.450 3.015 20 10 DGCDMP CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000873130335 623043335 /nfs/dbraw/zinc/04/33/35/623043335.db2.gz BKBHMOFQUOXJNQ-AYHJJNSGSA-N 2 1 302.462 3.499 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000773766312 623070697 /nfs/dbraw/zinc/07/06/97/623070697.db2.gz RPJPIWSXUTVAEO-IEBWSBKVSA-N 2 1 301.478 3.059 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000773766312 623070704 /nfs/dbraw/zinc/07/07/04/623070704.db2.gz RPJPIWSXUTVAEO-IEBWSBKVSA-N 2 1 301.478 3.059 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000773766312 623070711 /nfs/dbraw/zinc/07/07/11/623070711.db2.gz RPJPIWSXUTVAEO-IEBWSBKVSA-N 2 1 301.478 3.059 20 10 DGCDMP CCN(C)c1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000773809627 623074446 /nfs/dbraw/zinc/07/44/46/623074446.db2.gz STCTYDPHWYGBIF-UHFFFAOYSA-N 2 1 300.450 3.170 20 10 DGCDMP CCN(C)c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000773809627 623074450 /nfs/dbraw/zinc/07/44/50/623074450.db2.gz STCTYDPHWYGBIF-UHFFFAOYSA-N 2 1 300.450 3.170 20 10 DGCDMP Cc1ccccc1C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775642520 623301037 /nfs/dbraw/zinc/30/10/37/623301037.db2.gz LOAKCYHLHPLGJE-UHFFFAOYSA-N 2 1 323.484 3.379 20 10 DGCDMP Cc1ccc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000775642275 623301180 /nfs/dbraw/zinc/30/11/80/623301180.db2.gz JDFIXCUGROWZFF-UHFFFAOYSA-N 2 1 323.484 3.379 20 10 DGCDMP Cc1cccc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000775650011 623303831 /nfs/dbraw/zinc/30/38/31/623303831.db2.gz WSUWFSCCIVCIPU-UHFFFAOYSA-N 2 1 323.484 3.379 20 10 DGCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)C(C)C ZINC000775663387 623308882 /nfs/dbraw/zinc/30/88/82/623308882.db2.gz AELYGXVGXQWWSI-QGZVFWFLSA-N 2 1 303.494 3.305 20 10 DGCDMP C[N@H+]1CC[C@H]([NH2+]CCCSc2nccs2)[C@@H]2CCC[C@@H]21 ZINC000796772780 626080858 /nfs/dbraw/zinc/08/08/58/626080858.db2.gz VUMDGBSGUJPVKT-IHRRRGAJSA-N 2 1 311.520 3.088 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000796772263 626081150 /nfs/dbraw/zinc/08/11/50/626081150.db2.gz PQWIAKNWJBEUHB-IPMKNSEASA-N 2 1 301.478 3.023 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1F ZINC000798956741 626262498 /nfs/dbraw/zinc/26/24/98/626262498.db2.gz MBBKQRRGVXNYAY-UHFFFAOYSA-N 2 1 319.468 3.200 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(O)cccc1OC ZINC000809754790 626947737 /nfs/dbraw/zinc/94/77/37/626947737.db2.gz BBQITLAMURJWHC-UHFFFAOYSA-N 2 1 317.433 3.072 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(O)cccc1OC ZINC000809754790 626947739 /nfs/dbraw/zinc/94/77/39/626947739.db2.gz BBQITLAMURJWHC-UHFFFAOYSA-N 2 1 317.433 3.072 20 10 DGCDMP Cc1cc(Cl)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000809767953 626950442 /nfs/dbraw/zinc/95/04/42/626950442.db2.gz YXBTYOWFAHCKMS-CZUORRHYSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1O ZINC000809767953 626950445 /nfs/dbraw/zinc/95/04/45/626950445.db2.gz YXBTYOWFAHCKMS-CZUORRHYSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1O ZINC000809767953 626950448 /nfs/dbraw/zinc/95/04/48/626950448.db2.gz YXBTYOWFAHCKMS-CZUORRHYSA-N 2 1 308.853 3.270 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815070934 627622344 /nfs/dbraw/zinc/62/23/44/627622344.db2.gz APJVSZIONUVRRC-LPHOPBHVSA-N 2 1 303.494 3.223 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000815070934 627622345 /nfs/dbraw/zinc/62/23/45/627622345.db2.gz APJVSZIONUVRRC-LPHOPBHVSA-N 2 1 303.494 3.223 20 10 DGCDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611921 627814381 /nfs/dbraw/zinc/81/43/81/627814381.db2.gz AJFHRZIIZQOHTK-XHDPSFHLSA-N 2 1 312.816 3.101 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611921 627814383 /nfs/dbraw/zinc/81/43/83/627814383.db2.gz AJFHRZIIZQOHTK-XHDPSFHLSA-N 2 1 312.816 3.101 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816611921 627814386 /nfs/dbraw/zinc/81/43/86/627814386.db2.gz AJFHRZIIZQOHTK-XHDPSFHLSA-N 2 1 312.816 3.101 20 10 DGCDMP Cc1cc(C)c([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(O)c1 ZINC000817941334 627968535 /nfs/dbraw/zinc/96/85/35/627968535.db2.gz SWHQYKGBWYZYOH-INIZCTEOSA-N 2 1 313.445 3.235 20 10 DGCDMP CC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(F)cc1O ZINC000817949704 627972782 /nfs/dbraw/zinc/97/27/82/627972782.db2.gz SIKHYMIJBZFTEU-QGZVFWFLSA-N 2 1 302.393 3.273 20 10 DGCDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817960337 627975694 /nfs/dbraw/zinc/97/56/94/627975694.db2.gz MEDDDHKQAIFTFB-GUYCJALGSA-N 2 1 305.441 3.204 20 10 DGCDMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Cl)c(Cl)cc1O ZINC000817968261 627978608 /nfs/dbraw/zinc/97/86/08/627978608.db2.gz IUMXROXXCSAALO-UWVGGRQHSA-N 2 1 303.233 3.492 20 10 DGCDMP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817985703 627983091 /nfs/dbraw/zinc/98/30/91/627983091.db2.gz MYGBCFPWVZGRRH-LLVKDONJSA-N 2 1 314.351 3.371 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1O ZINC000818431790 628022205 /nfs/dbraw/zinc/02/22/05/628022205.db2.gz TVWNUPURBKUSJF-LBPRGKRZSA-N 2 1 324.852 3.018 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825928250 628810967 /nfs/dbraw/zinc/81/09/67/628810967.db2.gz PFOZKDAKKVVQJU-UHFFFAOYSA-N 2 1 307.825 3.381 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825928250 628810968 /nfs/dbraw/zinc/81/09/68/628810968.db2.gz PFOZKDAKKVVQJU-UHFFFAOYSA-N 2 1 307.825 3.381 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1Cl ZINC000825935509 628811501 /nfs/dbraw/zinc/81/15/01/628811501.db2.gz WIDBZDOGJUHZRH-XJKSGUPXSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000825935509 628811503 /nfs/dbraw/zinc/81/15/03/628811503.db2.gz WIDBZDOGJUHZRH-XJKSGUPXSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000825935509 628811506 /nfs/dbraw/zinc/81/15/06/628811506.db2.gz WIDBZDOGJUHZRH-XJKSGUPXSA-N 2 1 308.853 3.270 20 10 DGCDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835038575 629831356 /nfs/dbraw/zinc/83/13/56/629831356.db2.gz UBTQVEJJWAEVGR-SUOMESGTSA-N 2 1 315.505 3.476 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000835049257 629835454 /nfs/dbraw/zinc/83/54/54/629835454.db2.gz PIUQKFIJCGGTAM-LZCIBIBXSA-N 2 1 301.478 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000835049257 629835458 /nfs/dbraw/zinc/83/54/58/629835458.db2.gz PIUQKFIJCGGTAM-LZCIBIBXSA-N 2 1 301.478 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000835052955 629837729 /nfs/dbraw/zinc/83/77/29/629837729.db2.gz IVBVXDIXBKQSPH-JBJGNSMKSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000835052955 629837734 /nfs/dbraw/zinc/83/77/34/629837734.db2.gz IVBVXDIXBKQSPH-JBJGNSMKSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000835052955 629837740 /nfs/dbraw/zinc/83/77/40/629837740.db2.gz IVBVXDIXBKQSPH-JBJGNSMKSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000835052953 629837910 /nfs/dbraw/zinc/83/79/10/629837910.db2.gz IVBVXDIXBKQSPH-DTRRYIFCSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000835052953 629837913 /nfs/dbraw/zinc/83/79/13/629837913.db2.gz IVBVXDIXBKQSPH-DTRRYIFCSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000835052953 629837918 /nfs/dbraw/zinc/83/79/18/629837918.db2.gz IVBVXDIXBKQSPH-DTRRYIFCSA-N 2 1 313.489 3.182 20 10 DGCDMP C[C@@H]1C[C@@H](C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC[NH2+]1 ZINC000841004175 630394308 /nfs/dbraw/zinc/39/43/08/630394308.db2.gz BNODEOJMHACPAJ-WBVHZDCISA-N 2 1 301.478 3.105 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1C[NH3+] ZINC000841100272 630407813 /nfs/dbraw/zinc/40/78/13/630407813.db2.gz AQYPQJARHGPTTP-AEFFLSMTSA-N 2 1 301.478 3.094 20 10 DGCDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843045267 630607594 /nfs/dbraw/zinc/60/75/94/630607594.db2.gz TVSCOJVQRVAVMJ-SFHVURJKSA-N 2 1 301.478 3.108 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000843044786 630607727 /nfs/dbraw/zinc/60/77/27/630607727.db2.gz JFTAFKNSBIQHNR-UYAOXDASSA-N 2 1 315.505 3.497 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045987 630608563 /nfs/dbraw/zinc/60/85/63/630608563.db2.gz SACSSDKKCSADLR-CJNGLKHVSA-N 2 1 308.853 3.318 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045987 630608565 /nfs/dbraw/zinc/60/85/65/630608565.db2.gz SACSSDKKCSADLR-CJNGLKHVSA-N 2 1 308.853 3.318 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1F ZINC000843055536 630609501 /nfs/dbraw/zinc/60/95/01/630609501.db2.gz GKKXXJZWGHJHSF-UHFFFAOYSA-N 2 1 307.457 3.374 20 10 DGCDMP CCOc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c(O)c1 ZINC000843107167 630614706 /nfs/dbraw/zinc/61/47/06/630614706.db2.gz AQPSLAQXUMPBRD-UHFFFAOYSA-N 2 1 314.429 3.142 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1F ZINC000843112648 630615227 /nfs/dbraw/zinc/61/52/27/630615227.db2.gz KHNWYVMKXDSBNA-OAHLLOKOSA-N 2 1 307.457 3.233 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000843120176 630615828 /nfs/dbraw/zinc/61/58/28/630615828.db2.gz LACYSMTVBVLSPF-UHFFFAOYSA-N 2 1 319.468 3.247 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000843125732 630616288 /nfs/dbraw/zinc/61/62/88/630616288.db2.gz GKKMLMPQVDXSSV-RTBURBONSA-N 2 1 315.505 3.354 20 10 DGCDMP Cc1cccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1O ZINC000843429577 630657430 /nfs/dbraw/zinc/65/74/30/630657430.db2.gz GYMVRJBPDJQXIW-MOPGFXCFSA-N 2 1 310.441 3.136 20 10 DGCDMP CCc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000848891548 631774939 /nfs/dbraw/zinc/77/49/39/631774939.db2.gz ZYOWWLUIFSRUNE-VQIMIIECSA-N 2 1 314.473 3.403 20 10 DGCDMP CCc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000848891548 631774945 /nfs/dbraw/zinc/77/49/45/631774945.db2.gz ZYOWWLUIFSRUNE-VQIMIIECSA-N 2 1 314.473 3.403 20 10 DGCDMP CCc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000848891548 631774949 /nfs/dbraw/zinc/77/49/49/631774949.db2.gz ZYOWWLUIFSRUNE-VQIMIIECSA-N 2 1 314.473 3.403 20 10 DGCDMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850128654 632062031 /nfs/dbraw/zinc/06/20/31/632062031.db2.gz GNHWGAAYAFMQGE-CQSZACIVSA-N 2 1 320.477 3.130 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000314965852 656546968 /nfs/dbraw/zinc/54/69/68/656546968.db2.gz VKAHSVLNPXNYOD-SFHVURJKSA-N 2 1 303.494 3.353 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000164394918 658930629 /nfs/dbraw/zinc/93/06/29/658930629.db2.gz DSPAFAQJGNULOQ-SFHVURJKSA-N 2 1 302.462 3.459 20 10 DGCDMP CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347236159 1179786109 /nfs/dbraw/zinc/78/61/09/1179786109.db2.gz WNBMRQJNGFUVKJ-RDJZCZTQSA-N 2 1 319.468 3.340 20 10 DGCDMP CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347236159 1179786112 /nfs/dbraw/zinc/78/61/12/1179786112.db2.gz WNBMRQJNGFUVKJ-RDJZCZTQSA-N 2 1 319.468 3.340 20 10 DGCDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001473988416 1183843885 /nfs/dbraw/zinc/84/38/85/1183843885.db2.gz DEKWFYXMIRZUDQ-IBGZPJMESA-N 2 1 315.505 3.497 20 10 DGCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC001620717794 1193794732 /nfs/dbraw/zinc/79/47/32/1193794732.db2.gz VVNXXAOIYGRFFV-CQSZACIVSA-N 2 1 310.445 3.418 20 10 DGCDMP C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001648702852 1195323970 /nfs/dbraw/zinc/32/39/70/1195323970.db2.gz JDYTXQPNMXXFCM-YJBOKZPZSA-N 2 1 319.468 3.246 20 10 DGCDMP CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1C ZINC001658176128 1196220969 /nfs/dbraw/zinc/22/09/69/1196220969.db2.gz ZHWJHHUFOMYWBH-KZNAEPCWSA-N 2 1 302.462 3.214 20 10 DGCDMP CCc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001167436885 1082121916 /nfs/dbraw/zinc/12/19/16/1082121916.db2.gz FAKJQWVCILBGRK-UHFFFAOYSA-N 2 1 310.445 3.008 20 10 DGCDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001167841341 1084179612 /nfs/dbraw/zinc/17/96/12/1084179612.db2.gz KRXZBRUWJLUZOK-HNNXBMFYSA-N 2 1 320.477 3.357 20 10 DGCDMP Oc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001203560833 1090756992 /nfs/dbraw/zinc/75/69/92/1090756992.db2.gz HDZOMLYEMDZSAV-UYAOXDASSA-N 2 1 322.452 3.346 20 10 DGCDMP Oc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001203560833 1090757000 /nfs/dbraw/zinc/75/70/00/1090757000.db2.gz HDZOMLYEMDZSAV-UYAOXDASSA-N 2 1 322.452 3.346 20 10 DGCDMP Oc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001203560833 1090757002 /nfs/dbraw/zinc/75/70/02/1090757002.db2.gz HDZOMLYEMDZSAV-UYAOXDASSA-N 2 1 322.452 3.346 20 10 DGCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001205591423 1091269913 /nfs/dbraw/zinc/26/99/13/1091269913.db2.gz MNQJAQKCTYXGIG-CQSZACIVSA-N 2 1 320.330 3.064 20 10 DGCDMP COc1cc(C[N@@H+](C)Cc2ccccc2)cc(C[NH+](C)C)c1O ZINC001139253587 1091501522 /nfs/dbraw/zinc/50/15/22/1091501522.db2.gz ZLNHDXYJQRLGFL-UHFFFAOYSA-N 2 1 314.429 3.094 20 10 DGCDMP COc1cc(C[N@H+]2CCCC[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139252974 1091502205 /nfs/dbraw/zinc/50/22/05/1091502205.db2.gz HMVHXRRTRBLXKP-CQSZACIVSA-N 2 1 306.450 3.084 20 10 DGCDMP COc1cc(C[N@H+]2CCCCC[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139257057 1091502674 /nfs/dbraw/zinc/50/26/74/1091502674.db2.gz QBCLNMYWIJFVBJ-CQSZACIVSA-N 2 1 306.450 3.227 20 10 DGCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c(Cl)c1 ZINC001206572862 1091673141 /nfs/dbraw/zinc/67/31/41/1091673141.db2.gz GIJAFGVFLFPNRT-INIZCTEOSA-N 2 1 312.841 3.005 20 10 DGCDMP CCCC[N@@H+](CC)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140300092 1091818955 /nfs/dbraw/zinc/81/89/55/1091818955.db2.gz MHYPGQIKVWBJAJ-UHFFFAOYSA-N 2 1 303.494 3.451 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H](F)C3)cc2)CC1 ZINC001140302134 1091819552 /nfs/dbraw/zinc/81/95/52/1091819552.db2.gz KXTYVVQJLGTFEX-SFHVURJKSA-N 2 1 319.468 3.153 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)c(O)c1 ZINC001140855222 1092031344 /nfs/dbraw/zinc/03/13/44/1092031344.db2.gz SFRAYVVZMABWPW-UHFFFAOYSA-N 2 1 319.493 3.155 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)c(O)c1 ZINC001140855222 1092031355 /nfs/dbraw/zinc/03/13/55/1092031355.db2.gz SFRAYVVZMABWPW-UHFFFAOYSA-N 2 1 319.493 3.155 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)CC1(C)CC[NH+](C)CC1 ZINC001208111343 1092200747 /nfs/dbraw/zinc/20/07/47/1092200747.db2.gz KLXFJNMFCVOPQU-UHFFFAOYSA-N 2 1 303.494 3.306 20 10 DGCDMP Cc1c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c2ccccc2n1C ZINC001276556544 1092201531 /nfs/dbraw/zinc/20/15/31/1092201531.db2.gz NPDCEYLVRKPUKJ-CALCHBBNSA-N 2 1 311.473 3.260 20 10 DGCDMP Cc1c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c2ccccc2n1C ZINC001276556544 1092201537 /nfs/dbraw/zinc/20/15/37/1092201537.db2.gz NPDCEYLVRKPUKJ-CALCHBBNSA-N 2 1 311.473 3.260 20 10 DGCDMP Cc1c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c2ccccc2n1C ZINC001276556544 1092201544 /nfs/dbraw/zinc/20/15/44/1092201544.db2.gz NPDCEYLVRKPUKJ-CALCHBBNSA-N 2 1 311.473 3.260 20 10 DGCDMP CCc1ccc(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)c(O)c1 ZINC001276804905 1094975267 /nfs/dbraw/zinc/97/52/67/1094975267.db2.gz NPCSLIBDWOGMNT-UHFFFAOYSA-N 2 1 314.473 3.405 20 10 DGCDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3ccccc3cc1O)C2 ZINC001276812977 1095091312 /nfs/dbraw/zinc/09/13/12/1095091312.db2.gz LYURRFLAEDFAAD-FQEVSTJZSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc3ccccc3cc1O)C2 ZINC001276812977 1095091325 /nfs/dbraw/zinc/09/13/25/1095091325.db2.gz LYURRFLAEDFAAD-FQEVSTJZSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc3ccccc3cc1O)C2 ZINC001276812977 1095091339 /nfs/dbraw/zinc/09/13/39/1095091339.db2.gz LYURRFLAEDFAAD-FQEVSTJZSA-N 2 1 310.441 3.463 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000316871781 1095197935 /nfs/dbraw/zinc/19/79/35/1095197935.db2.gz WNZLDZRJAGAMAG-FPCVCCKLSA-N 2 1 300.446 3.465 20 10 DGCDMP COc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1O ZINC001222161566 1095467531 /nfs/dbraw/zinc/46/75/31/1095467531.db2.gz PJNCTYXBTNSWTQ-IBGZPJMESA-N 2 1 318.461 3.147 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)ccc1N(C)C ZINC001222314796 1095546544 /nfs/dbraw/zinc/54/65/44/1095546544.db2.gz IOGUWEQPFVZEQY-IBGZPJMESA-N 2 1 301.478 3.169 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1Cl ZINC001222314083 1095546698 /nfs/dbraw/zinc/54/66/98/1095546698.db2.gz BULNCUZPIZHGTE-QGZVFWFLSA-N 2 1 308.853 3.462 20 10 DGCDMP CC(C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CC1 ZINC001116441636 1095552460 /nfs/dbraw/zinc/55/24/60/1095552460.db2.gz LCLXSTDLJJFTQU-UHFFFAOYSA-N 2 1 319.468 3.198 20 10 DGCDMP CC(C)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CC1 ZINC001116441636 1095552470 /nfs/dbraw/zinc/55/24/70/1095552470.db2.gz LCLXSTDLJJFTQU-UHFFFAOYSA-N 2 1 319.468 3.198 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001119610861 1096233086 /nfs/dbraw/zinc/23/30/86/1096233086.db2.gz IJHJXAORXUUVLL-FQEVSTJZSA-N 2 1 313.489 3.252 20 10 DGCDMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001232149291 1097950935 /nfs/dbraw/zinc/95/09/35/1097950935.db2.gz LKSSZRDWAQDCFJ-UHFFFAOYSA-N 2 1 314.404 3.151 20 10 DGCDMP CCOCc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)ccc1OC ZINC001177542097 1098552887 /nfs/dbraw/zinc/55/28/87/1098552887.db2.gz JLFJRYCLOLAHLF-KRWDZBQOSA-N 2 1 320.477 3.053 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1O ZINC001234994456 1098739583 /nfs/dbraw/zinc/73/95/83/1098739583.db2.gz TZSKXFBCQSODAW-LJQANCHMSA-N 2 1 302.462 3.265 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235170338 1098853514 /nfs/dbraw/zinc/85/35/14/1098853514.db2.gz FMJUBRPLCXMHFX-FQEVSTJZSA-N 2 1 313.489 3.395 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235170338 1098853518 /nfs/dbraw/zinc/85/35/18/1098853518.db2.gz FMJUBRPLCXMHFX-FQEVSTJZSA-N 2 1 313.489 3.395 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCCCC23CC[NH2+]CC3)c1O ZINC001235191591 1098867647 /nfs/dbraw/zinc/86/76/47/1098867647.db2.gz SDWKKHILJBWETP-UHFFFAOYSA-N 2 1 308.853 3.462 20 10 DGCDMP Oc1cc(F)c(F)cc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235228275 1098901190 /nfs/dbraw/zinc/90/11/90/1098901190.db2.gz LGHOFMGLHBSNJW-INIZCTEOSA-N 2 1 310.388 3.025 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)c1O ZINC001235408101 1099003856 /nfs/dbraw/zinc/00/38/56/1099003856.db2.gz UAGQBIIKYSABHH-VQIMIIECSA-N 2 1 320.452 3.213 20 10 DGCDMP Cc1cccc(CC[N@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001235839001 1099202956 /nfs/dbraw/zinc/20/29/56/1099202956.db2.gz GKMCEOJOPINHCF-UHFFFAOYSA-N 2 1 323.484 3.079 20 10 DGCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]3CCCC[C@H]31)C[NH2+]CCO2 ZINC001235868989 1099226864 /nfs/dbraw/zinc/22/68/64/1099226864.db2.gz XWTQMIVIOHIJJS-WMLDXEAASA-N 2 1 316.445 3.029 20 10 DGCDMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985524 1099310640 /nfs/dbraw/zinc/31/06/40/1099310640.db2.gz CTICOXQLMXHYDZ-APWZRJJASA-N 2 1 312.388 3.121 20 10 DGCDMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cc(-c3ccc(F)cc3)ccc1O)C2 ZINC001235985524 1099310647 /nfs/dbraw/zinc/31/06/47/1099310647.db2.gz CTICOXQLMXHYDZ-APWZRJJASA-N 2 1 312.388 3.121 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])c2c1 ZINC001236215801 1099471670 /nfs/dbraw/zinc/47/16/70/1099471670.db2.gz IKEPUHHERFETQG-MSOLQXFVSA-N 2 1 314.429 3.256 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236223825 1099482387 /nfs/dbraw/zinc/48/23/87/1099482387.db2.gz QFTHBYAENUQKCV-QAQDUYKDSA-N 2 1 319.493 3.243 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001236374086 1099561897 /nfs/dbraw/zinc/56/18/97/1099561897.db2.gz OXRHDKJJRWMESA-SFHVURJKSA-N 2 1 315.505 3.497 20 10 DGCDMP CCOc1cccc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236647758 1099720074 /nfs/dbraw/zinc/72/00/74/1099720074.db2.gz MSNKZUJHBAJWGL-QGZVFWFLSA-N 2 1 318.461 3.288 20 10 DGCDMP CCOc1cccc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c1O ZINC001236647758 1099720078 /nfs/dbraw/zinc/72/00/78/1099720078.db2.gz MSNKZUJHBAJWGL-QGZVFWFLSA-N 2 1 318.461 3.288 20 10 DGCDMP C[N@@H+](Cc1cc(Cl)c(Cl)cc1O)CC1CC[NH+](C)CC1 ZINC001236797239 1099792148 /nfs/dbraw/zinc/79/21/48/1099792148.db2.gz WCJDTXWSLXJSPG-UHFFFAOYSA-N 2 1 317.260 3.473 20 10 DGCDMP C[N@H+](Cc1cc(Cl)c(Cl)cc1O)CC1CC[NH+](C)CC1 ZINC001236797239 1099792158 /nfs/dbraw/zinc/79/21/58/1099792158.db2.gz WCJDTXWSLXJSPG-UHFFFAOYSA-N 2 1 317.260 3.473 20 10 DGCDMP C[C@H]([NH3+])C[N@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC001236903446 1099864486 /nfs/dbraw/zinc/86/44/86/1099864486.db2.gz CRNLCHANQNTZCQ-JTQLQIEISA-N 2 1 323.234 3.087 20 10 DGCDMP C[C@H]([NH3+])C[N@@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC001236903446 1099864495 /nfs/dbraw/zinc/86/44/95/1099864495.db2.gz CRNLCHANQNTZCQ-JTQLQIEISA-N 2 1 323.234 3.087 20 10 DGCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236935235 1099881837 /nfs/dbraw/zinc/88/18/37/1099881837.db2.gz GUVAOLVNYZGGDX-INIZCTEOSA-N 2 1 319.468 3.200 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC34CC4)c(F)c2)CC1 ZINC001236942667 1099881914 /nfs/dbraw/zinc/88/19/14/1099881914.db2.gz LMNMLLYFNURFBH-UHFFFAOYSA-N 2 1 317.452 3.096 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)c(O)c1 ZINC001237415416 1100120282 /nfs/dbraw/zinc/12/02/82/1100120282.db2.gz NMAGKGIEZPMSEI-RHSMWYFYSA-N 2 1 302.462 3.264 20 10 DGCDMP CC(C)C(C)(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328656519 1104012746 /nfs/dbraw/zinc/01/27/46/1104012746.db2.gz ILLOSTQWLQFAKQ-UHFFFAOYSA-N 2 1 307.457 3.102 20 10 DGCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246527807 1104579348 /nfs/dbraw/zinc/57/93/48/1104579348.db2.gz VOFKXTAWWKAUMD-KBXCAEBGSA-N 2 1 302.462 3.364 20 10 DGCDMP CC(C)[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC001246793610 1104679423 /nfs/dbraw/zinc/67/94/23/1104679423.db2.gz UYVXCVDBPUVOFP-UXHICEINSA-N 2 1 315.505 3.495 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)cc1 ZINC001275833254 1104925970 /nfs/dbraw/zinc/92/59/70/1104925970.db2.gz DXJJRBAKUMSLCC-LJQANCHMSA-N 2 1 301.478 3.060 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc1 ZINC001275833254 1104925976 /nfs/dbraw/zinc/92/59/76/1104925976.db2.gz DXJJRBAKUMSLCC-LJQANCHMSA-N 2 1 301.478 3.060 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)cc1 ZINC001275833254 1104925981 /nfs/dbraw/zinc/92/59/81/1104925981.db2.gz DXJJRBAKUMSLCC-LJQANCHMSA-N 2 1 301.478 3.060 20 10 DGCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(O)ccc4ccccc43)C[C@H]2CC1 ZINC001276077256 1105009217 /nfs/dbraw/zinc/00/92/17/1105009217.db2.gz BTZDRVZUPYGKQI-CALCHBBNSA-N 2 1 310.441 3.319 20 10 DGCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)C[C@H]2CC1 ZINC001276077256 1105009225 /nfs/dbraw/zinc/00/92/25/1105009225.db2.gz BTZDRVZUPYGKQI-CALCHBBNSA-N 2 1 310.441 3.319 20 10 DGCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)C[C@H]2CC1 ZINC001276077256 1105009234 /nfs/dbraw/zinc/00/92/34/1105009234.db2.gz BTZDRVZUPYGKQI-CALCHBBNSA-N 2 1 310.441 3.319 20 10 DGCDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001261244933 1107370573 /nfs/dbraw/zinc/37/05/73/1107370573.db2.gz JHDQBKQTTZRSOM-FQEVSTJZSA-N 2 1 313.489 3.205 20 10 DGCDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001261244933 1107370592 /nfs/dbraw/zinc/37/05/92/1107370592.db2.gz JHDQBKQTTZRSOM-FQEVSTJZSA-N 2 1 313.489 3.205 20 10 DGCDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001261244933 1107370606 /nfs/dbraw/zinc/37/06/06/1107370606.db2.gz JHDQBKQTTZRSOM-FQEVSTJZSA-N 2 1 313.489 3.205 20 10 DGCDMP Nc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC001262487928 1107717786 /nfs/dbraw/zinc/71/77/86/1107717786.db2.gz KFDJZOQTUDSKQA-TZIWHRDSSA-N 2 1 323.484 3.441 20 10 DGCDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CCN1C ZINC001324745706 1108449851 /nfs/dbraw/zinc/44/98/51/1108449851.db2.gz FAKPBHBRIYQZLQ-LPHOPBHVSA-N 2 1 301.478 3.201 20 10 DGCDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC001324745706 1108449857 /nfs/dbraw/zinc/44/98/57/1108449857.db2.gz FAKPBHBRIYQZLQ-LPHOPBHVSA-N 2 1 301.478 3.201 20 10 DGCDMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC001324745706 1108449862 /nfs/dbraw/zinc/44/98/62/1108449862.db2.gz FAKPBHBRIYQZLQ-LPHOPBHVSA-N 2 1 301.478 3.201 20 10 DGCDMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CC[NH+]1C ZINC001324745706 1108449867 /nfs/dbraw/zinc/44/98/67/1108449867.db2.gz FAKPBHBRIYQZLQ-LPHOPBHVSA-N 2 1 301.478 3.201 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001319717061 1108607659 /nfs/dbraw/zinc/60/76/59/1108607659.db2.gz KGKAYNOIMZDCOT-XLIONFOSSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001319717061 1108607664 /nfs/dbraw/zinc/60/76/64/1108607664.db2.gz KGKAYNOIMZDCOT-XLIONFOSSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)[C@H](C)C1 ZINC001319717061 1108607671 /nfs/dbraw/zinc/60/76/71/1108607671.db2.gz KGKAYNOIMZDCOT-XLIONFOSSA-N 2 1 315.505 3.449 20 10 DGCDMP CC(C)[C@H](C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319932683 1108699708 /nfs/dbraw/zinc/69/97/08/1108699708.db2.gz RFQRYVODKDZNOY-HNNXBMFYSA-N 2 1 307.457 3.054 20 10 DGCDMP CC(C)[C@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319932683 1108699711 /nfs/dbraw/zinc/69/97/11/1108699711.db2.gz RFQRYVODKDZNOY-HNNXBMFYSA-N 2 1 307.457 3.054 20 10 DGCDMP c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc2c1OCC2 ZINC001308299862 1111412906 /nfs/dbraw/zinc/41/29/06/1111412906.db2.gz GMBPXGMQTZSPIP-UHFFFAOYSA-N 2 1 300.446 3.118 20 10 DGCDMP CCCC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001308326302 1111417199 /nfs/dbraw/zinc/41/71/99/1111417199.db2.gz BTBDMWMSWHSAQN-UHFFFAOYSA-N 2 1 319.468 3.247 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1F ZINC001308553123 1111443276 /nfs/dbraw/zinc/44/32/76/1111443276.db2.gz HETCWGRLVYBSND-LZLYRXPVSA-N 2 1 319.468 3.102 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1F ZINC000152040804 432300048 /nfs/dbraw/zinc/30/00/48/432300048.db2.gz YRQYWMWHIWBBPQ-UHFFFAOYSA-N 2 1 319.468 3.388 20 10 DGCDMP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1O ZINC000184936787 432447396 /nfs/dbraw/zinc/44/73/96/432447396.db2.gz BWWGQLSKXPMMFP-CYBMUJFWSA-N 2 1 302.393 3.444 20 10 DGCDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc(C)ccc2O)cn1 ZINC000185084138 432464046 /nfs/dbraw/zinc/46/40/46/432464046.db2.gz LBLCQZVKUQOQHI-CQSZACIVSA-N 2 1 322.412 3.441 20 10 DGCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279008855 432926150 /nfs/dbraw/zinc/92/61/50/432926150.db2.gz SOVSGMZJQMXNPI-HOTGVXAUSA-N 2 1 312.461 3.252 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(OC)c1O ZINC000290471183 433060371 /nfs/dbraw/zinc/06/03/71/433060371.db2.gz NMZHZPDWKPPCRC-UHFFFAOYSA-N 2 1 317.433 3.072 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(OC)c1O ZINC000290471183 433060376 /nfs/dbraw/zinc/06/03/76/433060376.db2.gz NMZHZPDWKPPCRC-UHFFFAOYSA-N 2 1 317.433 3.072 20 10 DGCDMP Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000180765603 524408614 /nfs/dbraw/zinc/40/86/14/524408614.db2.gz QQMLAXWETUJOLO-QAPCUYQASA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000180765603 524408618 /nfs/dbraw/zinc/40/86/18/524408618.db2.gz QQMLAXWETUJOLO-QAPCUYQASA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000180765603 524408625 /nfs/dbraw/zinc/40/86/25/524408625.db2.gz QQMLAXWETUJOLO-QAPCUYQASA-N 2 1 300.446 3.149 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1F ZINC000740004224 574918018 /nfs/dbraw/zinc/91/80/18/574918018.db2.gz KFDVRDOWOGBCQA-UHFFFAOYSA-N 2 1 318.440 3.357 20 10 DGCDMP CCC[N@@H+](Cc1ccccc1O)Cc1cccc2c1CC[NH2+]C2 ZINC000852744679 620644932 /nfs/dbraw/zinc/64/49/32/620644932.db2.gz GSZHMSPZSCSLTR-UHFFFAOYSA-N 2 1 310.441 3.450 20 10 DGCDMP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(O)c1 ZINC000853239283 620681117 /nfs/dbraw/zinc/68/11/17/620681117.db2.gz DHWZJFUJTWHIMY-RDJZCZTQSA-N 2 1 302.462 3.473 20 10 DGCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853241516 620681471 /nfs/dbraw/zinc/68/14/71/620681471.db2.gz WKFIPNZQQOOZBV-DOTOQJQBSA-N 2 1 302.462 3.473 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000841041754 619243164 /nfs/dbraw/zinc/24/31/64/619243164.db2.gz ADCIGGQTCNAZMV-FPLPWBNLSA-N 2 1 301.478 3.407 20 10 DGCDMP Oc1c(F)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416525 619921163 /nfs/dbraw/zinc/92/11/63/619921163.db2.gz NPSPZTIIOMWALC-AWEZNQCLSA-N 2 1 306.425 3.133 20 10 DGCDMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000904458175 619923977 /nfs/dbraw/zinc/92/39/77/619923977.db2.gz CCRNRLDEHOJPKN-UHFFFAOYSA-N 2 1 314.404 3.024 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000841086251 620218582 /nfs/dbraw/zinc/21/85/82/620218582.db2.gz GPMAUTXMAXRQBB-UYAOXDASSA-N 2 1 315.505 3.497 20 10 DGCDMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000863547231 621683175 /nfs/dbraw/zinc/68/31/75/621683175.db2.gz QDVIONHGYMPZDY-IPELMVKDSA-N 2 1 310.441 3.406 20 10 DGCDMP CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c1 ZINC000769467703 622530027 /nfs/dbraw/zinc/53/00/27/622530027.db2.gz ZRUYYRGGLIYSOG-QGZVFWFLSA-N 2 1 318.461 3.241 20 10 DGCDMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769506120 622535317 /nfs/dbraw/zinc/53/53/17/622535317.db2.gz ATVQBAWNTNGSMX-MRXNPFEDSA-N 2 1 307.457 3.055 20 10 DGCDMP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1O ZINC000873235087 623085656 /nfs/dbraw/zinc/08/56/56/623085656.db2.gz KRGIGLWMBOWITO-XJKSGUPXSA-N 2 1 302.393 3.142 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000125283118 623417324 /nfs/dbraw/zinc/41/73/24/623417324.db2.gz ADNQIHBAOSTVTH-UHFFFAOYSA-N 2 1 303.494 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000125283118 623417331 /nfs/dbraw/zinc/41/73/31/623417331.db2.gz ADNQIHBAOSTVTH-UHFFFAOYSA-N 2 1 303.494 3.449 20 10 DGCDMP Cc1cccc(O)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000876810522 623712178 /nfs/dbraw/zinc/71/21/78/623712178.db2.gz ANJPUINYTUSPRM-QAPCUYQASA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1cccc(O)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000876810522 623712180 /nfs/dbraw/zinc/71/21/80/623712180.db2.gz ANJPUINYTUSPRM-QAPCUYQASA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1cccc(O)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000876810522 623712182 /nfs/dbraw/zinc/71/21/82/623712182.db2.gz ANJPUINYTUSPRM-QAPCUYQASA-N 2 1 300.446 3.149 20 10 DGCDMP CC(C)[NH+]1CCC(CC[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883195517 625966117 /nfs/dbraw/zinc/96/61/17/625966117.db2.gz WEQQIVRAIBKWBM-UHFFFAOYSA-N 2 1 312.404 3.271 20 10 DGCDMP COc1cccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1O ZINC000809738512 626943997 /nfs/dbraw/zinc/94/39/97/626943997.db2.gz YBIGTZYNNBKAMF-UHFFFAOYSA-N 2 1 314.429 3.094 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1F ZINC000809766501 626949238 /nfs/dbraw/zinc/94/92/38/626949238.db2.gz ZHYCBLLMVJZXTL-MAUKXSAKSA-N 2 1 321.484 3.444 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1F ZINC000809766501 626949239 /nfs/dbraw/zinc/94/92/39/626949239.db2.gz ZHYCBLLMVJZXTL-MAUKXSAKSA-N 2 1 321.484 3.444 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1F ZINC000809766501 626949240 /nfs/dbraw/zinc/94/92/40/626949240.db2.gz ZHYCBLLMVJZXTL-MAUKXSAKSA-N 2 1 321.484 3.444 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000809766501 626949241 /nfs/dbraw/zinc/94/92/41/626949241.db2.gz ZHYCBLLMVJZXTL-MAUKXSAKSA-N 2 1 321.484 3.444 20 10 DGCDMP Cc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1N(C)C ZINC000815034146 627618096 /nfs/dbraw/zinc/61/80/96/627618096.db2.gz FFWBRNQZIIKRQN-UHFFFAOYSA-N 2 1 303.494 3.366 20 10 DGCDMP CC(C)[C@@H]1[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1(C)C ZINC000816624973 627816690 /nfs/dbraw/zinc/81/66/90/627816690.db2.gz NEMRPHQDVVBPBE-IBGZPJMESA-N 2 1 315.505 3.305 20 10 DGCDMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1O ZINC000817946574 627970435 /nfs/dbraw/zinc/97/04/35/627970435.db2.gz ZWSKCESMLDWQRJ-VHSXEESVSA-N 2 1 303.233 3.349 20 10 DGCDMP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817953813 627973570 /nfs/dbraw/zinc/97/35/70/627973570.db2.gz RSMBPXVOTJZVLA-WCQYABFASA-N 2 1 302.340 3.204 20 10 DGCDMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965475 627977460 /nfs/dbraw/zinc/97/74/60/627977460.db2.gz RKRBWKBORRVFBD-BEFAXECRSA-N 2 1 301.478 3.455 20 10 DGCDMP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1O ZINC000817967170 627977663 /nfs/dbraw/zinc/97/76/63/627977663.db2.gz DLZXFTVPNUESFY-VIFPVBQESA-N 2 1 301.217 3.269 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1Cl ZINC000825935508 628811521 /nfs/dbraw/zinc/81/15/21/628811521.db2.gz WIDBZDOGJUHZRH-CZUORRHYSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000825935508 628811524 /nfs/dbraw/zinc/81/15/24/628811524.db2.gz WIDBZDOGJUHZRH-CZUORRHYSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1Cl ZINC000825935508 628811526 /nfs/dbraw/zinc/81/15/26/628811526.db2.gz WIDBZDOGJUHZRH-CZUORRHYSA-N 2 1 308.853 3.270 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CCF)C3)cc2)CC1 ZINC000827270788 628943721 /nfs/dbraw/zinc/94/37/21/628943721.db2.gz FZHYKAXNHNFGFI-QGZVFWFLSA-N 2 1 319.468 3.010 20 10 DGCDMP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835026219 629827667 /nfs/dbraw/zinc/82/76/67/629827667.db2.gz QODGNLHRLPRZRS-FQQSSWHASA-N 2 1 315.505 3.430 20 10 DGCDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835026219 629827671 /nfs/dbraw/zinc/82/76/71/629827671.db2.gz QODGNLHRLPRZRS-FQQSSWHASA-N 2 1 315.505 3.430 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000835026451 629828103 /nfs/dbraw/zinc/82/81/03/629828103.db2.gz WSOWXFMZEVLPMY-SUQGKYDKSA-N 2 1 301.478 3.039 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000835026451 629828108 /nfs/dbraw/zinc/82/81/08/629828108.db2.gz WSOWXFMZEVLPMY-SUQGKYDKSA-N 2 1 301.478 3.039 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000835026451 629828113 /nfs/dbraw/zinc/82/81/13/629828113.db2.gz WSOWXFMZEVLPMY-SUQGKYDKSA-N 2 1 301.478 3.039 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000835026451 629828115 /nfs/dbraw/zinc/82/81/15/629828115.db2.gz WSOWXFMZEVLPMY-SUQGKYDKSA-N 2 1 301.478 3.039 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000840940800 630381451 /nfs/dbraw/zinc/38/14/51/630381451.db2.gz GFGKSJIPJKWLPW-UHFFFAOYSA-N 2 1 301.478 3.168 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840948882 630382819 /nfs/dbraw/zinc/38/28/19/630382819.db2.gz MGKUGYHARAFXHG-UHFFFAOYSA-N 2 1 307.825 3.381 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840948882 630382821 /nfs/dbraw/zinc/38/28/21/630382821.db2.gz MGKUGYHARAFXHG-UHFFFAOYSA-N 2 1 307.825 3.381 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000840949418 630383209 /nfs/dbraw/zinc/38/32/09/630383209.db2.gz WZZPLUPXEAGXQP-LJQANCHMSA-N 2 1 315.505 3.225 20 10 DGCDMP C[C@@H]1C[C@H](C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC[NH2+]1 ZINC000841004173 630394327 /nfs/dbraw/zinc/39/43/27/630394327.db2.gz BNODEOJMHACPAJ-NVXWUHKLSA-N 2 1 301.478 3.105 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1F ZINC000843043689 630607673 /nfs/dbraw/zinc/60/76/73/630607673.db2.gz CTOLDXAMKAUEAL-UHFFFAOYSA-N 2 1 319.468 3.388 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000843047980 630608317 /nfs/dbraw/zinc/60/83/17/630608317.db2.gz GDXYAKHFROVLAG-OALUTQOASA-N 2 1 301.478 3.168 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000843047980 630608320 /nfs/dbraw/zinc/60/83/20/630608320.db2.gz GDXYAKHFROVLAG-OALUTQOASA-N 2 1 301.478 3.168 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045989 630608571 /nfs/dbraw/zinc/60/85/71/630608571.db2.gz SACSSDKKCSADLR-XJKSGUPXSA-N 2 1 308.853 3.318 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843045989 630608572 /nfs/dbraw/zinc/60/85/72/630608572.db2.gz SACSSDKKCSADLR-XJKSGUPXSA-N 2 1 308.853 3.318 20 10 DGCDMP CC[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)c(F)c2)CC[C@H]1[NH3+] ZINC000843051983 630608644 /nfs/dbraw/zinc/60/86/44/630608644.db2.gz JMPDZTXWUCKZSP-NVXWUHKLSA-N 2 1 307.457 3.231 20 10 DGCDMP CC[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)c(F)c2)CC[C@H]1[NH3+] ZINC000843051983 630608646 /nfs/dbraw/zinc/60/86/46/630608646.db2.gz JMPDZTXWUCKZSP-NVXWUHKLSA-N 2 1 307.457 3.231 20 10 DGCDMP CC[NH2+]CC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000843055770 630609600 /nfs/dbraw/zinc/60/96/00/630609600.db2.gz PABASYOTTFZYHQ-UHFFFAOYSA-N 2 1 300.805 3.006 20 10 DGCDMP CCOc1cccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1O ZINC000843124299 630615648 /nfs/dbraw/zinc/61/56/48/630615648.db2.gz XTKLOVFSAUHZGA-UHFFFAOYSA-N 2 1 306.450 3.132 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000843125223 630616258 /nfs/dbraw/zinc/61/62/58/630616258.db2.gz OKYAZNJCUAGJPP-LWHVHZMOSA-N 2 1 313.489 3.087 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1F ZINC000843127459 630616910 /nfs/dbraw/zinc/61/69/10/630616910.db2.gz REZKLNYHIVVWPN-IAGOWNOFSA-N 2 1 319.468 3.103 20 10 DGCDMP C[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H]1CC[NH3+] ZINC000844900685 630970436 /nfs/dbraw/zinc/97/04/36/630970436.db2.gz CQEYFWAGPMEDNQ-GXFFZTMASA-N 2 1 300.805 3.134 20 10 DGCDMP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000844925993 630988180 /nfs/dbraw/zinc/98/81/80/630988180.db2.gz SRWOENBIPGENIE-LLVKDONJSA-N 2 1 316.367 3.451 20 10 DGCDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000850034830 632034657 /nfs/dbraw/zinc/03/46/57/632034657.db2.gz REIREGXTXQZYSL-CQSZACIVSA-N 2 1 320.477 3.130 20 10 DGCDMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000850128653 632061912 /nfs/dbraw/zinc/06/19/12/632061912.db2.gz GNHWGAAYAFMQGE-AWEZNQCLSA-N 2 1 320.477 3.130 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000852106467 632555980 /nfs/dbraw/zinc/55/59/80/632555980.db2.gz YVDAKHGIJJCTCM-LJQANCHMSA-N 2 1 301.478 3.060 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000852106467 632555984 /nfs/dbraw/zinc/55/59/84/632555984.db2.gz YVDAKHGIJJCTCM-LJQANCHMSA-N 2 1 301.478 3.060 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000852106467 632555988 /nfs/dbraw/zinc/55/59/88/632555988.db2.gz YVDAKHGIJJCTCM-LJQANCHMSA-N 2 1 301.478 3.060 20 10 DGCDMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000183398130 660109584 /nfs/dbraw/zinc/10/95/84/660109584.db2.gz HFMABUYUEJNGDS-MRXNPFEDSA-N 2 1 310.441 3.491 20 10 DGCDMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000183398130 660109585 /nfs/dbraw/zinc/10/95/85/660109585.db2.gz HFMABUYUEJNGDS-MRXNPFEDSA-N 2 1 310.441 3.491 20 10 DGCDMP Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246741074 662273741 /nfs/dbraw/zinc/27/37/41/662273741.db2.gz OFYVKLGKVSSKBW-QFBILLFUSA-N 2 1 314.473 3.458 20 10 DGCDMP Cc1cc(C)c(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246741074 662273743 /nfs/dbraw/zinc/27/37/43/662273743.db2.gz OFYVKLGKVSSKBW-QFBILLFUSA-N 2 1 314.473 3.458 20 10 DGCDMP Cc1cc(C)c(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246741074 662273745 /nfs/dbraw/zinc/27/37/45/662273745.db2.gz OFYVKLGKVSSKBW-QFBILLFUSA-N 2 1 314.473 3.458 20 10 DGCDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)C[C@H]2C1 ZINC001334723856 1178786100 /nfs/dbraw/zinc/78/61/00/1178786100.db2.gz HSICFGCSBPCZPY-YQVWRLOYSA-N 2 1 314.473 3.043 20 10 DGCDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)C[C@@H]2C1 ZINC001334723858 1178786280 /nfs/dbraw/zinc/78/62/80/1178786280.db2.gz HSICFGCSBPCZPY-ZIFCJYIRSA-N 2 1 314.473 3.043 20 10 DGCDMP C[C@H]([NH2+]Cc1cccc(F)c1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001560749247 1189374456 /nfs/dbraw/zinc/37/44/56/1189374456.db2.gz DHFXHZRXYPNANJ-DZGCQCFKSA-N 2 1 306.425 3.274 20 10 DGCDMP C[C@H]([NH2+]Cc1cccc(F)c1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001560749247 1189374465 /nfs/dbraw/zinc/37/44/65/1189374465.db2.gz DHFXHZRXYPNANJ-DZGCQCFKSA-N 2 1 306.425 3.274 20 10 DGCDMP CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC001658028665 1196204051 /nfs/dbraw/zinc/20/40/51/1196204051.db2.gz YTDSFGCHOOQTFO-AEFFLSMTSA-N 2 1 302.462 3.432 20 10 DGCDMP CC(C)c1ccc(O)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC001658028665 1196204055 /nfs/dbraw/zinc/20/40/55/1196204055.db2.gz YTDSFGCHOOQTFO-AEFFLSMTSA-N 2 1 302.462 3.432 20 10 DGCDMP CC(C)c1ccc(O)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC001658028665 1196204058 /nfs/dbraw/zinc/20/40/58/1196204058.db2.gz YTDSFGCHOOQTFO-AEFFLSMTSA-N 2 1 302.462 3.432 20 10 DGCDMP CCCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1C ZINC001658176129 1196221408 /nfs/dbraw/zinc/22/14/08/1196221408.db2.gz ZHWJHHUFOMYWBH-OKZBNKHCSA-N 2 1 302.462 3.214 20 10 DGCDMP CC(C)c1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC001658192767 1196222942 /nfs/dbraw/zinc/22/29/42/1196222942.db2.gz CTROBVMJKGZHCE-IBGZPJMESA-N 2 1 302.462 3.433 20 10 DGCDMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC001658675362 1196287653 /nfs/dbraw/zinc/28/76/53/1196287653.db2.gz CCQCMUJOHJLFJA-UHFFFAOYSA-N 2 1 303.494 3.367 20 10 DGCDMP Cc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)ccc1N(C)C ZINC001659975371 1196433675 /nfs/dbraw/zinc/43/36/75/1196433675.db2.gz LRTGTSBWCRSCEY-QGZVFWFLSA-N 2 1 324.472 3.167 20 10 DGCDMP CC1([NH+]2CCC2)CCC([NH2+]Cc2cc(F)c(F)cc2O)CC1 ZINC001184134591 1084104183 /nfs/dbraw/zinc/10/41/83/1084104183.db2.gz FTNULUFOOGUQHY-UHFFFAOYSA-N 2 1 310.388 3.167 20 10 DGCDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001205287715 1091165858 /nfs/dbraw/zinc/16/58/58/1091165858.db2.gz BBTOGILWCZQKOX-CQSZACIVSA-N 2 1 302.340 3.114 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205603493 1091273281 /nfs/dbraw/zinc/27/32/81/1091273281.db2.gz PGWXXDJFFQEEAE-AEFFLSMTSA-N 2 1 303.494 3.340 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c(O)c1 ZINC001205627405 1091286295 /nfs/dbraw/zinc/28/62/95/1091286295.db2.gz PIDHDNYEJWLQKQ-CVEARBPZSA-N 2 1 319.493 3.045 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CCC[C@@H]1C[NH3+] ZINC001206022804 1091455060 /nfs/dbraw/zinc/45/50/60/1091455060.db2.gz CUVSZEXGRMWJPI-LSDHHAIUSA-N 2 1 304.478 3.497 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCC[C@H]1C[NH3+] ZINC001206023162 1091455815 /nfs/dbraw/zinc/45/58/15/1091455815.db2.gz DKNXQFRCVIZMCF-CABCVRRESA-N 2 1 304.478 3.497 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCC[C@@H]1C[NH3+] ZINC001206025410 1091457500 /nfs/dbraw/zinc/45/75/00/1091457500.db2.gz NWIHWQLIGWCXSJ-NWDGAFQWSA-N 2 1 316.367 3.218 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139257221 1091502785 /nfs/dbraw/zinc/50/27/85/1091502785.db2.gz UYALSHPBQZTSIZ-UONOGXRCSA-N 2 1 306.450 3.083 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc(C[NH+](C)C)c1O ZINC001139258054 1091504219 /nfs/dbraw/zinc/50/42/19/1091504219.db2.gz KVIFUGSSTRYAFP-WBVHZDCISA-N 2 1 318.461 3.227 20 10 DGCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)CC[C@H]1F ZINC001206201817 1091533185 /nfs/dbraw/zinc/53/31/85/1091533185.db2.gz YZWAOVUGQYUFLD-QZTJIDSGSA-N 2 1 314.404 3.320 20 10 DGCDMP CN1CCN(c2ccc(CN3CCCCC(F)(F)C3)cc2)CC1 ZINC001139404528 1091548124 /nfs/dbraw/zinc/54/81/24/1091548124.db2.gz MRCNFOYLJWRIPE-UHFFFAOYSA-N 2 1 323.431 3.060 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)C[C@@H]3CC3(C)C)cc2)CC1 ZINC001140305762 1091821092 /nfs/dbraw/zinc/82/10/92/1091821092.db2.gz HGPCMIOTQHMEJS-SFHVURJKSA-N 2 1 315.505 3.306 20 10 DGCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(N(CC)CC)cc1O ZINC001140856508 1092031107 /nfs/dbraw/zinc/03/11/07/1092031107.db2.gz CWJDLIQQMUVQLS-UHFFFAOYSA-N 2 1 321.509 3.402 20 10 DGCDMP CC[NH+]1CCC([N@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001169258571 1092621001 /nfs/dbraw/zinc/62/10/01/1092621001.db2.gz MSAHHXDJMQTBHP-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001169258571 1092621015 /nfs/dbraw/zinc/62/10/15/1092621015.db2.gz MSAHHXDJMQTBHP-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000315473541 1095108293 /nfs/dbraw/zinc/10/82/93/1095108293.db2.gz KCSDXZZGEVZTCQ-CJNGLKHVSA-N 2 1 300.446 3.465 20 10 DGCDMP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222253409 1095513357 /nfs/dbraw/zinc/51/33/57/1095513357.db2.gz OTZVYWOZNUHDEJ-IBGZPJMESA-N 2 1 302.462 3.408 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c(O)c1 ZINC001222253409 1095513366 /nfs/dbraw/zinc/51/33/66/1095513366.db2.gz OTZVYWOZNUHDEJ-IBGZPJMESA-N 2 1 302.462 3.408 20 10 DGCDMP CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001339509744 1095642776 /nfs/dbraw/zinc/64/27/76/1095642776.db2.gz MSSAJYJAAOAFCR-CVEARBPZSA-N 2 1 321.484 3.492 20 10 DGCDMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)n1-c1ccccc1 ZINC001137858999 1095768874 /nfs/dbraw/zinc/76/88/74/1095768874.db2.gz DVAJRFADBAURQX-KDURUIRLSA-N 2 1 309.457 3.088 20 10 DGCDMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)n1-c1ccccc1 ZINC001137858999 1095768886 /nfs/dbraw/zinc/76/88/86/1095768886.db2.gz DVAJRFADBAURQX-KDURUIRLSA-N 2 1 309.457 3.088 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1 ZINC001226782991 1096776697 /nfs/dbraw/zinc/77/66/97/1096776697.db2.gz AXJQXZGXNIIWCW-UHFFFAOYSA-N 2 1 301.478 3.251 20 10 DGCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233287094 1098276148 /nfs/dbraw/zinc/27/61/48/1098276148.db2.gz WIWWTJFPDIPAKE-CALCHBBNSA-N 2 1 316.489 3.463 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233287094 1098276154 /nfs/dbraw/zinc/27/61/54/1098276154.db2.gz WIWWTJFPDIPAKE-CALCHBBNSA-N 2 1 316.489 3.463 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3O)C[C@@H]2C1 ZINC001233287094 1098276161 /nfs/dbraw/zinc/27/61/61/1098276161.db2.gz WIWWTJFPDIPAKE-CALCHBBNSA-N 2 1 316.489 3.463 20 10 DGCDMP Cc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)ccc1N(C)C ZINC001176280716 1098298953 /nfs/dbraw/zinc/29/89/53/1098298953.db2.gz DXBONMRPYODMPN-KRWDZBQOSA-N 2 1 324.472 3.167 20 10 DGCDMP CC[N@@H+](CCC[NH+](C)C)Cc1c(O)ccc2ccc(OC)cc21 ZINC001234570378 1098604000 /nfs/dbraw/zinc/60/40/00/1098604000.db2.gz ZALVEHMLFLOHHV-UHFFFAOYSA-N 2 1 316.445 3.328 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1O ZINC001206317075 1098710256 /nfs/dbraw/zinc/71/02/56/1098710256.db2.gz CGVDMQHPKPNXFI-MRXNPFEDSA-N 2 1 312.841 3.005 20 10 DGCDMP CN1CCCc2cc(C[N@H+]3CCC[C@@]4(CCC[NH2+]4)CC3)ccc21 ZINC001235042334 1098768886 /nfs/dbraw/zinc/76/88/86/1098768886.db2.gz ALQVYVFNNMYFMR-FQEVSTJZSA-N 2 1 313.489 3.177 20 10 DGCDMP Oc1c(C[N@@H+]2CCC[C@]23CC[NH2+]C3)cccc1-c1ccccc1 ZINC001235111627 1098813801 /nfs/dbraw/zinc/81/38/01/1098813801.db2.gz SCIBAXGYIWNNOO-HXUWFJFHSA-N 2 1 308.425 3.387 20 10 DGCDMP Oc1c(C[N@H+]2CCC[C@]23CC[NH2+]C3)cccc1-c1ccccc1 ZINC001235111627 1098813808 /nfs/dbraw/zinc/81/38/08/1098813808.db2.gz SCIBAXGYIWNNOO-HXUWFJFHSA-N 2 1 308.425 3.387 20 10 DGCDMP CCc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(O)c1 ZINC001235153114 1098840166 /nfs/dbraw/zinc/84/01/66/1098840166.db2.gz DVBSPVMZNQUAPV-SFHVURJKSA-N 2 1 302.462 3.309 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC001235185424 1098863898 /nfs/dbraw/zinc/86/38/98/1098863898.db2.gz TZQCTYYVIGFZDW-MOPGFXCFSA-N 2 1 309.457 3.135 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC001235269182 1098939690 /nfs/dbraw/zinc/93/96/90/1098939690.db2.gz LJSJNLKUUWYQKA-ICSRJNTNSA-N 2 1 309.457 3.278 20 10 DGCDMP Oc1cc(Cl)c(F)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235887707 1099234431 /nfs/dbraw/zinc/23/44/31/1099234431.db2.gz HKXPLAYSCUPICJ-OAHLLOKOSA-N 2 1 312.816 3.149 20 10 DGCDMP C[N@H+](Cc1cccc(-c2ccccc2)c1O)C[C@@H]1CCC[NH2+]C1 ZINC001235957064 1099290122 /nfs/dbraw/zinc/29/01/22/1099290122.db2.gz KJXXISVAVJULGF-MRXNPFEDSA-N 2 1 310.441 3.491 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC001235960529 1099293921 /nfs/dbraw/zinc/29/39/21/1099293921.db2.gz YTKRVJVNANZKJX-OPVJXMOQSA-N 2 1 309.457 3.263 20 10 DGCDMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001236049570 1099351528 /nfs/dbraw/zinc/35/15/28/1099351528.db2.gz FXCVZZZWRCIVTC-ACJLOTCBSA-N 2 1 314.404 3.367 20 10 DGCDMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001236049570 1099351540 /nfs/dbraw/zinc/35/15/40/1099351540.db2.gz FXCVZZZWRCIVTC-ACJLOTCBSA-N 2 1 314.404 3.367 20 10 DGCDMP C[N@H+](Cc1ccc(C(F)(F)F)cc1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216747 1099474170 /nfs/dbraw/zinc/47/41/70/1099474170.db2.gz MGPVWOLVLADABC-STQMWFEESA-N 2 1 302.340 3.113 20 10 DGCDMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236216747 1099474179 /nfs/dbraw/zinc/47/41/79/1099474179.db2.gz MGPVWOLVLADABC-STQMWFEESA-N 2 1 302.340 3.113 20 10 DGCDMP CCc1ccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(O)c1 ZINC001236549920 1099675418 /nfs/dbraw/zinc/67/54/18/1099675418.db2.gz CTCQXMJZDMARKE-IYARVYRRSA-N 2 1 302.462 3.437 20 10 DGCDMP Cc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1N(C)C ZINC001236599918 1099695584 /nfs/dbraw/zinc/69/55/84/1099695584.db2.gz WZUFZTANJLUHCM-QGZVFWFLSA-N 2 1 301.478 3.025 20 10 DGCDMP CCc1ccc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236661263 1099730159 /nfs/dbraw/zinc/73/01/59/1099730159.db2.gz AVPLMRGCLTXPQI-GOSISDBHSA-N 2 1 302.462 3.451 20 10 DGCDMP CCc1ccc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236661263 1099730164 /nfs/dbraw/zinc/73/01/64/1099730164.db2.gz AVPLMRGCLTXPQI-GOSISDBHSA-N 2 1 302.462 3.451 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC001236818147 1099806022 /nfs/dbraw/zinc/80/60/22/1099806022.db2.gz GLLCHMVSBBEHQO-YSIASYRMSA-N 2 1 309.457 3.263 20 10 DGCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC)cc2O)CC1 ZINC001237046883 1099941404 /nfs/dbraw/zinc/94/14/04/1099941404.db2.gz HPBKDCRTUUBTAN-UHFFFAOYSA-N 2 1 320.477 3.487 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237418591 1100121425 /nfs/dbraw/zinc/12/14/25/1100121425.db2.gz XPKLHXSQEYNDQU-PBHICJAKSA-N 2 1 302.462 3.264 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2Cl)CC[C@@H]1C[NH3+] ZINC001205626298 1100722495 /nfs/dbraw/zinc/72/24/95/1100722495.db2.gz FNAUXLQFRZFSPD-UONOGXRCSA-N 2 1 309.885 3.213 20 10 DGCDMP C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@H]1C[NH3+] ZINC001205637986 1100763034 /nfs/dbraw/zinc/76/30/34/1100763034.db2.gz KFOVRCMEOUTZGG-NEPJUHHUSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC[C@H]1C[NH3+] ZINC001205637986 1100763038 /nfs/dbraw/zinc/76/30/38/1100763038.db2.gz KFOVRCMEOUTZGG-NEPJUHHUSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1C[NH3+] ZINC001325701909 1103105712 /nfs/dbraw/zinc/10/57/12/1103105712.db2.gz CLIDHIRRIKLNHK-NUJGCVRESA-N 2 1 301.478 3.092 20 10 DGCDMP CC[NH+](CC)C1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC001328986991 1104115292 /nfs/dbraw/zinc/11/52/92/1104115292.db2.gz HGGYXXNXOFRSQX-UHFFFAOYSA-N 2 1 313.445 3.247 20 10 DGCDMP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)(C)C ZINC001330850305 1104661346 /nfs/dbraw/zinc/66/13/46/1104661346.db2.gz NQTGJJAYHVLVEQ-HNNXBMFYSA-N 2 1 321.484 3.349 20 10 DGCDMP CC(C)[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC001246793609 1104679938 /nfs/dbraw/zinc/67/99/38/1104679938.db2.gz UYVXCVDBPUVOFP-PMACEKPBSA-N 2 1 315.505 3.495 20 10 DGCDMP CC[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C[C@H](CC)[NH2+]1 ZINC001246901096 1104729363 /nfs/dbraw/zinc/72/93/63/1104729363.db2.gz KMARENHPUWCUSS-DZFIZOCASA-N 2 1 303.494 3.494 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CCC2(CC[NH2+]C2)CC1 ZINC001246920087 1104739243 /nfs/dbraw/zinc/73/92/43/1104739243.db2.gz JDTLTEGQKPUOAF-UHFFFAOYSA-N 2 1 315.505 3.497 20 10 DGCDMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001206572128 1105384400 /nfs/dbraw/zinc/38/44/00/1105384400.db2.gz BCCGRXNGDCQFNP-OAHLLOKOSA-N 2 1 316.367 3.362 20 10 DGCDMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001206572126 1105387323 /nfs/dbraw/zinc/38/73/23/1105387323.db2.gz BCCGRXNGDCQFNP-HNNXBMFYSA-N 2 1 316.367 3.362 20 10 DGCDMP CCC[NH+]1CCC([N@H+](CC)Cc2ccc(N(C)C)cc2)CC1 ZINC001258777422 1106969805 /nfs/dbraw/zinc/96/98/05/1106969805.db2.gz VEQSVMSIPZQFTN-UHFFFAOYSA-N 2 1 303.494 3.449 20 10 DGCDMP CCC[NH+]1CCC([N@@H+](CC)Cc2ccc(N(C)C)cc2)CC1 ZINC001258777422 1106969825 /nfs/dbraw/zinc/96/98/25/1106969825.db2.gz VEQSVMSIPZQFTN-UHFFFAOYSA-N 2 1 303.494 3.449 20 10 DGCDMP C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001321101277 1107250752 /nfs/dbraw/zinc/25/07/52/1107250752.db2.gz QRFLBRLSGNFSFO-HOTGVXAUSA-N 2 1 319.468 3.103 20 10 DGCDMP C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321185253 1107276746 /nfs/dbraw/zinc/27/67/46/1107276746.db2.gz PZWRHAFKVUSIHC-NVXWUHKLSA-N 2 1 319.468 3.103 20 10 DGCDMP Nc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC001262487927 1107718189 /nfs/dbraw/zinc/71/81/89/1107718189.db2.gz KFDJZOQTUDSKQA-PZJWPPBQSA-N 2 1 323.484 3.441 20 10 DGCDMP Nc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC001262487925 1107718456 /nfs/dbraw/zinc/71/84/56/1107718456.db2.gz KFDJZOQTUDSKQA-CTNGQTDRSA-N 2 1 323.484 3.441 20 10 DGCDMP C[N@H+](Cc1ccc(N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382756085 1108162779 /nfs/dbraw/zinc/16/27/79/1108162779.db2.gz INFSZWOYJGVNKL-LJQANCHMSA-N 2 1 309.457 3.223 20 10 DGCDMP CCCC[N@H+](CC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324702438 1108433070 /nfs/dbraw/zinc/43/30/70/1108433070.db2.gz YMEIZOYJXSARIB-UHFFFAOYSA-N 2 1 307.457 3.200 20 10 DGCDMP CCCC[N@@H+](CC)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324702438 1108433076 /nfs/dbraw/zinc/43/30/76/1108433076.db2.gz YMEIZOYJXSARIB-UHFFFAOYSA-N 2 1 307.457 3.200 20 10 DGCDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)CCN1C ZINC001324745704 1108449668 /nfs/dbraw/zinc/44/96/68/1108449668.db2.gz FAKPBHBRIYQZLQ-APWZRJJASA-N 2 1 301.478 3.201 20 10 DGCDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N3CCCC3)cc2)CC[N@@H+]1C ZINC001324745704 1108449675 /nfs/dbraw/zinc/44/96/75/1108449675.db2.gz FAKPBHBRIYQZLQ-APWZRJJASA-N 2 1 301.478 3.201 20 10 DGCDMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC001324745704 1108449681 /nfs/dbraw/zinc/44/96/81/1108449681.db2.gz FAKPBHBRIYQZLQ-APWZRJJASA-N 2 1 301.478 3.201 20 10 DGCDMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)cc2)CC[NH+]1C ZINC001324745704 1108449686 /nfs/dbraw/zinc/44/96/86/1108449686.db2.gz FAKPBHBRIYQZLQ-APWZRJJASA-N 2 1 301.478 3.201 20 10 DGCDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319828787 1108654218 /nfs/dbraw/zinc/65/42/18/1108654218.db2.gz NACDEQGARIKQRX-LJQANCHMSA-N 2 1 315.505 3.451 20 10 DGCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319828787 1108654223 /nfs/dbraw/zinc/65/42/23/1108654223.db2.gz NACDEQGARIKQRX-LJQANCHMSA-N 2 1 315.505 3.451 20 10 DGCDMP COc1cc(C)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(O)c1 ZINC001308719499 1111465834 /nfs/dbraw/zinc/46/58/34/1111465834.db2.gz ABRMKNUWJNLUIT-UHFFFAOYSA-N 2 1 318.461 3.017 20 10 DGCDMP CCOc1cccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1O ZINC000093660020 431916992 /nfs/dbraw/zinc/91/69/92/431916992.db2.gz URMYIELZQDNIMF-INIZCTEOSA-N 2 1 306.450 3.097 20 10 DGCDMP CCOc1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1O ZINC000093660020 431916993 /nfs/dbraw/zinc/91/69/93/431916993.db2.gz URMYIELZQDNIMF-INIZCTEOSA-N 2 1 306.450 3.097 20 10 DGCDMP CCOc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1O ZINC000093660020 431916995 /nfs/dbraw/zinc/91/69/95/431916995.db2.gz URMYIELZQDNIMF-INIZCTEOSA-N 2 1 306.450 3.097 20 10 DGCDMP CCOc1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1O ZINC000093660020 431916997 /nfs/dbraw/zinc/91/69/97/431916997.db2.gz URMYIELZQDNIMF-INIZCTEOSA-N 2 1 306.450 3.097 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC)C2)c(O)c1 ZINC000093742340 431917664 /nfs/dbraw/zinc/91/76/64/431917664.db2.gz BQSPBLJIZBMYDX-MRXNPFEDSA-N 2 1 320.477 3.345 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC)C2)c(O)c1 ZINC000093742340 431917668 /nfs/dbraw/zinc/91/76/68/431917668.db2.gz BQSPBLJIZBMYDX-MRXNPFEDSA-N 2 1 320.477 3.345 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC)C2)c(O)c1 ZINC000093742340 431917669 /nfs/dbraw/zinc/91/76/69/431917669.db2.gz BQSPBLJIZBMYDX-MRXNPFEDSA-N 2 1 320.477 3.345 20 10 DGCDMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000270841281 432295574 /nfs/dbraw/zinc/29/55/74/432295574.db2.gz NTQXPGONRZOILW-UHFFFAOYSA-N 2 1 312.461 3.314 20 10 DGCDMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000270841281 432295579 /nfs/dbraw/zinc/29/55/79/432295579.db2.gz NTQXPGONRZOILW-UHFFFAOYSA-N 2 1 312.461 3.314 20 10 DGCDMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc2c(cc1O)CCCC2 ZINC000184997701 432453463 /nfs/dbraw/zinc/45/34/63/432453463.db2.gz VMYULVXJILNGIL-HUUCEWRRSA-N 2 1 314.473 3.406 20 10 DGCDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215591 432725056 /nfs/dbraw/zinc/72/50/56/432725056.db2.gz BTQBJKINLQTVMY-YLJYHZDGSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215591 432725060 /nfs/dbraw/zinc/72/50/60/432725060.db2.gz BTQBJKINLQTVMY-YLJYHZDGSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215591 432725066 /nfs/dbraw/zinc/72/50/66/432725066.db2.gz BTQBJKINLQTVMY-YLJYHZDGSA-N 2 1 315.505 3.449 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000275215591 432725072 /nfs/dbraw/zinc/72/50/72/432725072.db2.gz BTQBJKINLQTVMY-YLJYHZDGSA-N 2 1 315.505 3.449 20 10 DGCDMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C)cc1O ZINC000280233408 433020649 /nfs/dbraw/zinc/02/06/49/433020649.db2.gz VKSXAKOCNDAMPZ-FUHWJXTLSA-N 2 1 320.477 3.242 20 10 DGCDMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373230617 433137828 /nfs/dbraw/zinc/13/78/28/433137828.db2.gz NQUGLRLGNCMCIM-GFCCVEGCSA-N 2 1 305.809 3.159 20 10 DGCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000363792855 332248635 /nfs/dbraw/zinc/24/86/35/332248635.db2.gz OROXUJWLBWYLLU-NEWSRXKRSA-N 2 1 301.478 3.420 20 10 DGCDMP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853241521 620681391 /nfs/dbraw/zinc/68/13/91/620681391.db2.gz WKFIPNZQQOOZBV-WBVHZDCISA-N 2 1 302.462 3.473 20 10 DGCDMP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1O ZINC000925879443 618651444 /nfs/dbraw/zinc/65/14/44/618651444.db2.gz DRSCIOCOHVUHTJ-AXFHLTTASA-N 2 1 302.340 3.189 20 10 DGCDMP Cc1cc(Cl)cc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1O ZINC000841043383 619245269 /nfs/dbraw/zinc/24/52/69/619245269.db2.gz VHVFIEWQQXLBOE-UHFFFAOYSA-N 2 1 319.836 3.019 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841086224 620217316 /nfs/dbraw/zinc/21/73/16/620217316.db2.gz GCUMAVLJSYCPOA-SWLSCSKDSA-N 2 1 324.852 3.018 20 10 DGCDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2c(O)ccc3ccccc32)C1 ZINC000129226678 625560022 /nfs/dbraw/zinc/56/00/22/625560022.db2.gz AKRPREMIDIUEGI-VQIMIIECSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2c(O)ccc3ccccc32)C1 ZINC000129226678 625560032 /nfs/dbraw/zinc/56/00/32/625560032.db2.gz AKRPREMIDIUEGI-VQIMIIECSA-N 2 1 310.441 3.462 20 10 DGCDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2c(O)ccc3ccccc32)C1 ZINC000129226678 625560037 /nfs/dbraw/zinc/56/00/37/625560037.db2.gz AKRPREMIDIUEGI-VQIMIIECSA-N 2 1 310.441 3.462 20 10 DGCDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469631 622530675 /nfs/dbraw/zinc/53/06/75/622530675.db2.gz BWQKSDHFBSWOHL-GDBMZVCRSA-N 2 1 307.457 3.196 20 10 DGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469631 622530677 /nfs/dbraw/zinc/53/06/77/622530677.db2.gz BWQKSDHFBSWOHL-GDBMZVCRSA-N 2 1 307.457 3.196 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469631 622530679 /nfs/dbraw/zinc/53/06/79/622530679.db2.gz BWQKSDHFBSWOHL-GDBMZVCRSA-N 2 1 307.457 3.196 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769469631 622530681 /nfs/dbraw/zinc/53/06/81/622530681.db2.gz BWQKSDHFBSWOHL-GDBMZVCRSA-N 2 1 307.457 3.196 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000773755992 623068946 /nfs/dbraw/zinc/06/89/46/623068946.db2.gz SLIJERVIJGXVPV-IBGZPJMESA-N 2 1 315.505 3.306 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000773755992 623068949 /nfs/dbraw/zinc/06/89/49/623068949.db2.gz SLIJERVIJGXVPV-IBGZPJMESA-N 2 1 315.505 3.306 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000773755992 623068952 /nfs/dbraw/zinc/06/89/52/623068952.db2.gz SLIJERVIJGXVPV-IBGZPJMESA-N 2 1 315.505 3.306 20 10 DGCDMP C[C@@H]([N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000775654010 623304406 /nfs/dbraw/zinc/30/44/06/623304406.db2.gz RCRYVPFCDVDBKG-MRXNPFEDSA-N 2 1 303.494 3.305 20 10 DGCDMP C[C@H]([N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000775654009 623305359 /nfs/dbraw/zinc/30/53/59/623305359.db2.gz RCRYVPFCDVDBKG-INIZCTEOSA-N 2 1 303.494 3.305 20 10 DGCDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000877007158 623765069 /nfs/dbraw/zinc/76/50/69/623765069.db2.gz FJRMEDLTVZJEMI-IBGZPJMESA-N 2 1 324.468 3.355 20 10 DGCDMP CCOc1ccc(O)c(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000877673643 623986589 /nfs/dbraw/zinc/98/65/89/623986589.db2.gz IZAHPSNIVYWIPV-UHFFFAOYSA-N 2 1 318.461 3.241 20 10 DGCDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)CC[C@@H]21 ZINC000877741270 624013294 /nfs/dbraw/zinc/01/32/94/624013294.db2.gz AEMUXDSNVKWFNY-QUCCMNQESA-N 2 1 313.489 3.203 20 10 DGCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)CC[C@@H]21 ZINC000877741270 624013301 /nfs/dbraw/zinc/01/33/01/624013301.db2.gz AEMUXDSNVKWFNY-QUCCMNQESA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@@H]21 ZINC000877741270 624013305 /nfs/dbraw/zinc/01/33/05/624013305.db2.gz AEMUXDSNVKWFNY-QUCCMNQESA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CC[C@@H]21 ZINC000877741270 624013308 /nfs/dbraw/zinc/01/33/08/624013308.db2.gz AEMUXDSNVKWFNY-QUCCMNQESA-N 2 1 313.489 3.203 20 10 DGCDMP C[NH+](C)CCCCCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000882924212 625862381 /nfs/dbraw/zinc/86/23/81/625862381.db2.gz YHYVMJADEVFFEP-UHFFFAOYSA-N 2 1 300.393 3.272 20 10 DGCDMP CN1CCCc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)ccc21 ZINC000796726882 626076701 /nfs/dbraw/zinc/07/67/01/626076701.db2.gz GIUFSKXTQIACGC-NLWGTHIKSA-N 2 1 313.489 3.031 20 10 DGCDMP CCOc1ccc(C[N@@H+](CC)CCC[NH+]2CCCC2)c(O)c1 ZINC000809748967 626946071 /nfs/dbraw/zinc/94/60/71/626946071.db2.gz ADFWGBQIEJJASU-UHFFFAOYSA-N 2 1 306.450 3.099 20 10 DGCDMP CSC1(C[NH2+][C@@H](C)c2c(O)cccc2F)CC[NH+](C)CC1 ZINC000886612190 627173450 /nfs/dbraw/zinc/17/34/50/627173450.db2.gz FKYAJRLIZKIRKP-LBPRGKRZSA-N 2 1 312.454 3.009 20 10 DGCDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815054715 627619368 /nfs/dbraw/zinc/61/93/68/627619368.db2.gz KXBDHFSLDUXVSK-GOSISDBHSA-N 2 1 303.494 3.225 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000815145337 627637039 /nfs/dbraw/zinc/63/70/39/627637039.db2.gz RUCZZNZJJSYSJX-IBGZPJMESA-N 2 1 301.478 3.060 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000815145337 627637041 /nfs/dbraw/zinc/63/70/41/627637041.db2.gz RUCZZNZJJSYSJX-IBGZPJMESA-N 2 1 301.478 3.060 20 10 DGCDMP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000925781609 627794237 /nfs/dbraw/zinc/79/42/37/627794237.db2.gz BDHDXVRXQHPEMR-AYOQOUSVSA-N 2 1 310.441 3.264 20 10 DGCDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000816642239 627818640 /nfs/dbraw/zinc/81/86/40/627818640.db2.gz ULGJZPMZZLYIGS-HXUWFJFHSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000816642239 627818643 /nfs/dbraw/zinc/81/86/43/627818643.db2.gz ULGJZPMZZLYIGS-HXUWFJFHSA-N 2 1 310.441 3.463 20 10 DGCDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC000816642239 627818648 /nfs/dbraw/zinc/81/86/48/627818648.db2.gz ULGJZPMZZLYIGS-HXUWFJFHSA-N 2 1 310.441 3.463 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cccc(C(F)(F)F)c1O ZINC000817981214 627982598 /nfs/dbraw/zinc/98/25/98/627982598.db2.gz HFFVWXZZIIRSRZ-GARJFASQSA-N 2 1 302.340 3.189 20 10 DGCDMP CC[NH+]1CCC([N@H+](C)C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835025325 629827467 /nfs/dbraw/zinc/82/74/67/629827467.db2.gz IBWNVCIRDKUJJG-SREVYHEPSA-N 2 1 301.478 3.182 20 10 DGCDMP CC[NH+]1CCC([N@@H+](C)C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835025325 629827470 /nfs/dbraw/zinc/82/74/70/629827470.db2.gz IBWNVCIRDKUJJG-SREVYHEPSA-N 2 1 301.478 3.182 20 10 DGCDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027116 629827634 /nfs/dbraw/zinc/82/76/34/629827634.db2.gz BJQSDCNUTLPSRF-GHOSXJJBSA-N 2 1 315.505 3.430 20 10 DGCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027116 629827638 /nfs/dbraw/zinc/82/76/38/629827638.db2.gz BJQSDCNUTLPSRF-GHOSXJJBSA-N 2 1 315.505 3.430 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027116 629827643 /nfs/dbraw/zinc/82/76/43/629827643.db2.gz BJQSDCNUTLPSRF-GHOSXJJBSA-N 2 1 315.505 3.430 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027116 629827647 /nfs/dbraw/zinc/82/76/47/629827647.db2.gz BJQSDCNUTLPSRF-GHOSXJJBSA-N 2 1 315.505 3.430 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000835052954 629837362 /nfs/dbraw/zinc/83/73/62/629837362.db2.gz IVBVXDIXBKQSPH-FTKDCLMVSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000835052954 629837364 /nfs/dbraw/zinc/83/73/64/629837364.db2.gz IVBVXDIXBKQSPH-FTKDCLMVSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000835052954 629837366 /nfs/dbraw/zinc/83/73/66/629837366.db2.gz IVBVXDIXBKQSPH-FTKDCLMVSA-N 2 1 313.489 3.182 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000840892564 630373896 /nfs/dbraw/zinc/37/38/96/630373896.db2.gz BANNPEGDYXNGQR-BQFCYCMXSA-N 2 1 303.494 3.064 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000840892564 630373897 /nfs/dbraw/zinc/37/38/97/630373897.db2.gz BANNPEGDYXNGQR-BQFCYCMXSA-N 2 1 303.494 3.064 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000841039398 630400741 /nfs/dbraw/zinc/40/07/41/630400741.db2.gz NLVOZRPHMKQYNE-GHOSXJJBSA-N 2 1 301.478 3.263 20 10 DGCDMP COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841086054 630406167 /nfs/dbraw/zinc/40/61/67/630406167.db2.gz GCUMAVLJSYCPOA-IUODEOHRSA-N 2 1 324.852 3.018 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000843044012 630607783 /nfs/dbraw/zinc/60/77/83/630607783.db2.gz FYGKEOANWVZRNV-JBJGNSMKSA-N 2 1 313.489 3.230 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843046839 630608459 /nfs/dbraw/zinc/60/84/59/630608459.db2.gz FFQCJFKSARPVIO-UFRUDQCGSA-N 2 1 313.489 3.392 20 10 DGCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843051924 630608747 /nfs/dbraw/zinc/60/87/47/630608747.db2.gz MWBSZPGJMBJSAD-SJLPKXTDSA-N 2 1 301.478 3.236 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000843054339 630608789 /nfs/dbraw/zinc/60/87/89/630608789.db2.gz LCMJQCRNLHNXRK-UHFFFAOYSA-N 2 1 301.478 3.025 20 10 DGCDMP CC(=O)c1cc(F)cc(C[N@H+](CCC[NH3+])CC2CCCC2)c1O ZINC000843384841 630651064 /nfs/dbraw/zinc/65/10/64/630651064.db2.gz CFLYMENRFAKKRG-UHFFFAOYSA-N 2 1 322.424 3.075 20 10 DGCDMP CC(=O)c1cc(F)cc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1O ZINC000843384841 630651065 /nfs/dbraw/zinc/65/10/65/630651065.db2.gz CFLYMENRFAKKRG-UHFFFAOYSA-N 2 1 322.424 3.075 20 10 DGCDMP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(C(F)(F)F)c1O ZINC000844922014 630982955 /nfs/dbraw/zinc/98/29/55/630982955.db2.gz YYNVEZSFKONQOI-JTQLQIEISA-N 2 1 302.340 3.191 20 10 DGCDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000068722631 655598311 /nfs/dbraw/zinc/59/83/11/655598311.db2.gz UGKDTUOAGZMADX-GOSISDBHSA-N 2 1 301.478 3.108 20 10 DGCDMP COc1ccc(O)c(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000237204062 657378072 /nfs/dbraw/zinc/37/80/72/657378072.db2.gz WCISTXYNCSPYEG-UHFFFAOYSA-N 2 1 306.450 3.145 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000174629096 659454112 /nfs/dbraw/zinc/45/41/12/659454112.db2.gz ABJHBJQANGVAIB-VQIMIIECSA-N 2 1 303.494 3.353 20 10 DGCDMP Oc1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000378907234 685145971 /nfs/dbraw/zinc/14/59/71/685145971.db2.gz GAZNAHDHQBZJNL-UHFFFAOYSA-N 2 1 310.441 3.189 20 10 DGCDMP C[N@H+](Cc1ccc(N2CCCC2)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578489811 1191946597 /nfs/dbraw/zinc/94/65/97/1191946597.db2.gz NMDJYXZTXUJBNL-YQQQUEKLSA-N 2 1 313.489 3.249 20 10 DGCDMP Cc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)ccc1N1CCCCC1 ZINC001579598289 1191981803 /nfs/dbraw/zinc/98/18/03/1191981803.db2.gz NKRYDZIENSQIGM-KRWDZBQOSA-N 2 1 301.478 3.156 20 10 DGCDMP [NH3+][C@@H]1CC[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)C1 ZINC001580387583 1192024847 /nfs/dbraw/zinc/02/48/47/1192024847.db2.gz NVGHHIRJMGHREV-GOEBONIOSA-N 2 1 300.402 3.115 20 10 DGCDMP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001333680450 1178651605 /nfs/dbraw/zinc/65/16/05/1178651605.db2.gz VEBLRAYVLXKKMZ-UHFFFAOYSA-N 2 1 313.489 3.347 20 10 DGCDMP C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001648702850 1195324799 /nfs/dbraw/zinc/32/47/99/1195324799.db2.gz JDYTXQPNMXXFCM-MAUKXSAKSA-N 2 1 319.468 3.246 20 10 DGCDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001660892232 1196538932 /nfs/dbraw/zinc/53/89/32/1196538932.db2.gz HYPKSQGEPBRNOZ-IVMMDQJWSA-N 2 1 308.853 3.208 20 10 DGCDMP C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001662591279 1196731854 /nfs/dbraw/zinc/73/18/54/1196731854.db2.gz WOGHXWYYWHOFMB-OAHLLOKOSA-N 2 1 321.484 3.492 20 10 DGCDMP CC1(C)[C@@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4O)CC3)C[C@@H]21 ZINC001170732517 1083247930 /nfs/dbraw/zinc/24/79/30/1083247930.db2.gz ZTPVRBDWFRWGNG-BCDXTJNWSA-N 2 1 314.473 3.381 20 10 DGCDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1O ZINC001167968187 1085894445 /nfs/dbraw/zinc/89/44/45/1085894445.db2.gz NTXCPFOFBKEIIC-LNRIEFBSSA-N 2 1 300.446 3.448 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c2ccccc21 ZINC001204240304 1090931841 /nfs/dbraw/zinc/93/18/41/1090931841.db2.gz NZFGBPHCGRDRAA-NRFANRHFSA-N 2 1 323.484 3.433 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c2ccccc21 ZINC001204240304 1090931842 /nfs/dbraw/zinc/93/18/42/1090931842.db2.gz NZFGBPHCGRDRAA-NRFANRHFSA-N 2 1 323.484 3.433 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc21 ZINC001204240304 1090931844 /nfs/dbraw/zinc/93/18/44/1090931844.db2.gz NZFGBPHCGRDRAA-NRFANRHFSA-N 2 1 323.484 3.433 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C[C@H]1C[NH3+] ZINC001205156123 1091114449 /nfs/dbraw/zinc/11/44/49/1091114449.db2.gz PDFNIJPIRULVGI-WCQYABFASA-N 2 1 310.869 3.370 20 10 DGCDMP C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001205164404 1091116550 /nfs/dbraw/zinc/11/65/50/1091116550.db2.gz FKZNKXRBMDICLJ-QGZVFWFLSA-N 2 1 321.468 3.216 20 10 DGCDMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cc1 ZINC001138548804 1091224283 /nfs/dbraw/zinc/22/42/83/1091224283.db2.gz MIRXQSIKWABZEV-UHFFFAOYSA-N 2 1 319.408 3.445 20 10 DGCDMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3cccc(O)c3C2)cc1 ZINC001138548804 1091224293 /nfs/dbraw/zinc/22/42/93/1091224293.db2.gz MIRXQSIKWABZEV-UHFFFAOYSA-N 2 1 319.408 3.445 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CC[C@@H]1C[NH3+] ZINC001205638467 1091292049 /nfs/dbraw/zinc/29/20/49/1091292049.db2.gz OGRFWSGNYOTUFI-LSDHHAIUSA-N 2 1 304.478 3.497 20 10 DGCDMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001205903492 1091401322 /nfs/dbraw/zinc/40/13/22/1091401322.db2.gz PQYCXAYHRRMMIU-AEFFLSMTSA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CCC[C@@H]1C[NH3+] ZINC001206024568 1091455315 /nfs/dbraw/zinc/45/53/15/1091455315.db2.gz KDUTZMSWQOLZGU-VXGBXAGGSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCC[C@@H]1C[NH3+] ZINC001206024568 1091455320 /nfs/dbraw/zinc/45/53/20/1091455320.db2.gz KDUTZMSWQOLZGU-VXGBXAGGSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCC[C@@H]1C[NH3+] ZINC001206023165 1091455482 /nfs/dbraw/zinc/45/54/82/1091455482.db2.gz DKNXQFRCVIZMCF-HUUCEWRRSA-N 2 1 304.478 3.497 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCC[C@@H]1C[NH3+] ZINC001206023166 1091455728 /nfs/dbraw/zinc/45/57/28/1091455728.db2.gz DKNXQFRCVIZMCF-LSDHHAIUSA-N 2 1 304.478 3.497 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)C3CC(C)C3)cc2)CC1 ZINC001140301833 1091818630 /nfs/dbraw/zinc/81/86/30/1091818630.db2.gz ASJCALVXEMSHLZ-UHFFFAOYSA-N 2 1 301.478 3.059 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC4(CCC4)C3)cc2)CC1 ZINC001140305951 1091821021 /nfs/dbraw/zinc/82/10/21/1091821021.db2.gz IVTIEQLGDFMSBJ-UHFFFAOYSA-N 2 1 313.489 3.205 20 10 DGCDMP Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3O)CC2)cc[nH+]1 ZINC001140464059 1091876062 /nfs/dbraw/zinc/87/60/62/1091876062.db2.gz AKKZCZFKLVKZGP-UHFFFAOYSA-N 2 1 317.820 3.071 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169143173 1092559368 /nfs/dbraw/zinc/55/93/68/1092559368.db2.gz YSKDZHZCLOARRS-PMOLBWCYSA-N 2 1 313.489 3.344 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169143173 1092559377 /nfs/dbraw/zinc/55/93/77/1092559377.db2.gz YSKDZHZCLOARRS-PMOLBWCYSA-N 2 1 313.489 3.344 20 10 DGCDMP C[NH+](Cc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143173 1092559386 /nfs/dbraw/zinc/55/93/86/1092559386.db2.gz YSKDZHZCLOARRS-PMOLBWCYSA-N 2 1 313.489 3.344 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169154429 1092567297 /nfs/dbraw/zinc/56/72/97/1092567297.db2.gz QOKVQZIHLCQZCX-REPLKXPHSA-N 2 1 301.478 3.200 20 10 DGCDMP CC[NH+](Cc1ccc(N(C)C)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169154429 1092567311 /nfs/dbraw/zinc/56/73/11/1092567311.db2.gz QOKVQZIHLCQZCX-REPLKXPHSA-N 2 1 301.478 3.200 20 10 DGCDMP CC[NH+](Cc1ccc(N(C)C)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169154429 1092567323 /nfs/dbraw/zinc/56/73/23/1092567323.db2.gz QOKVQZIHLCQZCX-REPLKXPHSA-N 2 1 301.478 3.200 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC001209516973 1092805731 /nfs/dbraw/zinc/80/57/31/1092805731.db2.gz VHFIBACOIOLSOC-UXHICEINSA-N 2 1 323.484 3.478 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001209516973 1092805734 /nfs/dbraw/zinc/80/57/34/1092805734.db2.gz VHFIBACOIOLSOC-UXHICEINSA-N 2 1 323.484 3.478 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC001209516973 1092805740 /nfs/dbraw/zinc/80/57/40/1092805740.db2.gz VHFIBACOIOLSOC-UXHICEINSA-N 2 1 323.484 3.478 20 10 DGCDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(N)cc3)C2)CC1 ZINC001337834381 1095110759 /nfs/dbraw/zinc/11/07/59/1095110759.db2.gz RFICMHOWIHJYNA-GOSISDBHSA-N 2 1 301.478 3.213 20 10 DGCDMP CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c1O ZINC001222249953 1095511970 /nfs/dbraw/zinc/51/19/70/1095511970.db2.gz YHWKQXSJHODLMO-LJQANCHMSA-N 2 1 302.462 3.408 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c1O ZINC001222249953 1095511980 /nfs/dbraw/zinc/51/19/80/1095511980.db2.gz YHWKQXSJHODLMO-LJQANCHMSA-N 2 1 302.462 3.408 20 10 DGCDMP Cc1c(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001222264517 1095520524 /nfs/dbraw/zinc/52/05/24/1095520524.db2.gz CYUMJGGUPHMYCN-FQEVSTJZSA-N 2 1 311.473 3.452 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC(C)(C)C3)cc2F)CC1 ZINC001116440409 1095550758 /nfs/dbraw/zinc/55/07/58/1095550758.db2.gz SSLUUTVZGIVFGN-INIZCTEOSA-N 2 1 319.468 3.246 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1O ZINC001222321211 1095551434 /nfs/dbraw/zinc/55/14/34/1095551434.db2.gz RZGXWVMKPLHZEL-QGZVFWFLSA-N 2 1 308.853 3.462 20 10 DGCDMP CC(C)(C)c1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1O ZINC001222629453 1095699811 /nfs/dbraw/zinc/69/98/11/1095699811.db2.gz HPIJYAOIPYUSHA-GASCZTMLSA-N 2 1 302.462 3.121 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172127752 1097047581 /nfs/dbraw/zinc/04/75/81/1097047581.db2.gz KEJDTJPOFKHQKZ-BWTSREIZSA-N 2 1 301.478 3.200 20 10 DGCDMP CN(C)c1ccc(C[N@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172127752 1097047585 /nfs/dbraw/zinc/04/75/85/1097047585.db2.gz KEJDTJPOFKHQKZ-BWTSREIZSA-N 2 1 301.478 3.200 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172127752 1097047592 /nfs/dbraw/zinc/04/75/92/1097047592.db2.gz KEJDTJPOFKHQKZ-BWTSREIZSA-N 2 1 301.478 3.200 20 10 DGCDMP CN(C)c1ccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172127752 1097047597 /nfs/dbraw/zinc/04/75/97/1097047597.db2.gz KEJDTJPOFKHQKZ-BWTSREIZSA-N 2 1 301.478 3.200 20 10 DGCDMP CN(C)c1ccc(C[NH+](C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172127752 1097047604 /nfs/dbraw/zinc/04/76/04/1097047604.db2.gz KEJDTJPOFKHQKZ-BWTSREIZSA-N 2 1 301.478 3.200 20 10 DGCDMP CC(C)(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(O)c1 ZINC001235092259 1098796020 /nfs/dbraw/zinc/79/60/20/1098796020.db2.gz JSRWBKCEBUNFES-UHFFFAOYSA-N 2 1 302.462 3.265 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235092264 1098796196 /nfs/dbraw/zinc/79/61/96/1098796196.db2.gz JWKIEBUEAAGPMG-UHFFFAOYSA-N 2 1 302.462 3.265 20 10 DGCDMP Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093866 1098796444 /nfs/dbraw/zinc/79/64/44/1098796444.db2.gz SAXZQJSSABAEQR-UHFFFAOYSA-N 2 1 315.244 3.275 20 10 DGCDMP Oc1cc(Cl)c(Cl)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093866 1098796457 /nfs/dbraw/zinc/79/64/57/1098796457.db2.gz SAXZQJSSABAEQR-UHFFFAOYSA-N 2 1 315.244 3.275 20 10 DGCDMP CC(C)(C)c1cc(O)c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Cl ZINC001235936103 1099270559 /nfs/dbraw/zinc/27/05/59/1099270559.db2.gz HTEBVWQSNUPRCT-GXTWGEPZSA-N 2 1 322.880 3.384 20 10 DGCDMP C[N@H+](Cc1cccc(-c2ccccc2)c1O)C[C@H]1CCC[NH2+]C1 ZINC001235957063 1099288341 /nfs/dbraw/zinc/28/83/41/1099288341.db2.gz KJXXISVAVJULGF-INIZCTEOSA-N 2 1 310.441 3.491 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@H+](C(C)C)[C@@H]3CC[NH2+]C3)c2c1 ZINC001236529596 1099665236 /nfs/dbraw/zinc/66/52/36/1099665236.db2.gz OVWSYNFVYRGDDV-OAHLLOKOSA-N 2 1 314.429 3.126 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@@H+](C(C)C)[C@@H]3CC[NH2+]C3)c2c1 ZINC001236529596 1099665247 /nfs/dbraw/zinc/66/52/47/1099665247.db2.gz OVWSYNFVYRGDDV-OAHLLOKOSA-N 2 1 314.429 3.126 20 10 DGCDMP CCc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(O)c1 ZINC001236782560 1099781643 /nfs/dbraw/zinc/78/16/43/1099781643.db2.gz COQWAMWHTCMWJU-UHFFFAOYSA-N 2 1 302.462 3.405 20 10 DGCDMP Oc1ccc(F)c(F)c1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962229 1099891176 /nfs/dbraw/zinc/89/11/76/1099891176.db2.gz LHHRJMDVKSFOOO-UHFFFAOYSA-N 2 1 324.415 3.272 20 10 DGCDMP Cc1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1N(C)C ZINC001237156518 1100004890 /nfs/dbraw/zinc/00/48/90/1100004890.db2.gz XDBAWGZRBWTXSZ-GOSISDBHSA-N 2 1 301.478 3.168 20 10 DGCDMP Cc1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1N(C)C ZINC001237156518 1100004899 /nfs/dbraw/zinc/00/48/99/1100004899.db2.gz XDBAWGZRBWTXSZ-GOSISDBHSA-N 2 1 301.478 3.168 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237379616 1100099082 /nfs/dbraw/zinc/09/90/82/1100099082.db2.gz CCGBSAIEODQGSC-PKOBYXMFSA-N 2 1 301.478 3.107 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c2ccccc21 ZINC001237384423 1100102250 /nfs/dbraw/zinc/10/22/50/1100102250.db2.gz WRJGEBHPUWNRHG-XLIONFOSSA-N 2 1 323.484 3.480 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1O ZINC001237408156 1100115775 /nfs/dbraw/zinc/11/57/75/1100115775.db2.gz YYZOSOIEPIIHDK-PBHICJAKSA-N 2 1 302.462 3.264 20 10 DGCDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC001201557094 1102651113 /nfs/dbraw/zinc/65/11/13/1102651113.db2.gz DIEPLQPSLGCNKU-SFHVURJKSA-N 2 1 316.489 3.469 20 10 DGCDMP Cc1cc(C)c(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(O)c1 ZINC001276366070 1103576140 /nfs/dbraw/zinc/57/61/40/1103576140.db2.gz YLUGUAWYJRGVNW-IBGZPJMESA-N 2 1 302.462 3.317 20 10 DGCDMP Cc1cc(C)c(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001276366070 1103576151 /nfs/dbraw/zinc/57/61/51/1103576151.db2.gz YLUGUAWYJRGVNW-IBGZPJMESA-N 2 1 302.462 3.317 20 10 DGCDMP Cc1cc(C)c(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001276366070 1103576162 /nfs/dbraw/zinc/57/61/62/1103576162.db2.gz YLUGUAWYJRGVNW-IBGZPJMESA-N 2 1 302.462 3.317 20 10 DGCDMP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)(C)C ZINC001330850315 1104661288 /nfs/dbraw/zinc/66/12/88/1104661288.db2.gz NQTGJJAYHVLVEQ-OAHLLOKOSA-N 2 1 321.484 3.349 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246924890 1104739747 /nfs/dbraw/zinc/73/97/47/1104739747.db2.gz NKLDCNRBXSHGLR-SFHVURJKSA-N 2 1 301.478 3.249 20 10 DGCDMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001275960467 1104968019 /nfs/dbraw/zinc/96/80/19/1104968019.db2.gz WAVUEYRXJSKUSR-UHFFFAOYSA-N 2 1 313.489 3.205 20 10 DGCDMP Cc1ccc(C)c(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c1O ZINC001275965331 1104970249 /nfs/dbraw/zinc/97/02/49/1104970249.db2.gz BIULXYLBPXVHPC-IBGZPJMESA-N 2 1 302.462 3.317 20 10 DGCDMP Cc1ccc(C)c(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1O ZINC001275965331 1104970252 /nfs/dbraw/zinc/97/02/52/1104970252.db2.gz BIULXYLBPXVHPC-IBGZPJMESA-N 2 1 302.462 3.317 20 10 DGCDMP Cc1ccc(C)c(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c1O ZINC001275965331 1104970256 /nfs/dbraw/zinc/97/02/56/1104970256.db2.gz BIULXYLBPXVHPC-IBGZPJMESA-N 2 1 302.462 3.317 20 10 DGCDMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001254501032 1106083184 /nfs/dbraw/zinc/08/31/84/1106083184.db2.gz PELCACYYHRIBBB-SFHVURJKSA-N 2 1 301.478 3.251 20 10 DGCDMP CSCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001258205818 1106696661 /nfs/dbraw/zinc/69/66/61/1106696661.db2.gz ADEHZLLWVAGKFY-AWEZNQCLSA-N 2 1 308.491 3.088 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001261183427 1107355416 /nfs/dbraw/zinc/35/54/16/1107355416.db2.gz PVKPGKCBJIWHMW-UHFFFAOYSA-N 2 1 312.461 3.314 20 10 DGCDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001261183427 1107355429 /nfs/dbraw/zinc/35/54/29/1107355429.db2.gz PVKPGKCBJIWHMW-UHFFFAOYSA-N 2 1 312.461 3.314 20 10 DGCDMP CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319707752 1108603233 /nfs/dbraw/zinc/60/32/33/1108603233.db2.gz XSRWGKHNYBYMFY-DOTOQJQBSA-N 2 1 319.468 3.198 20 10 DGCDMP CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319707752 1108603237 /nfs/dbraw/zinc/60/32/37/1108603237.db2.gz XSRWGKHNYBYMFY-DOTOQJQBSA-N 2 1 319.468 3.198 20 10 DGCDMP CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319707752 1108603239 /nfs/dbraw/zinc/60/32/39/1108603239.db2.gz XSRWGKHNYBYMFY-DOTOQJQBSA-N 2 1 319.468 3.198 20 10 DGCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](C)C(C)C ZINC001319815695 1108647929 /nfs/dbraw/zinc/64/79/29/1108647929.db2.gz LSXXKPLWPSGUBH-INIZCTEOSA-N 2 1 321.484 3.444 20 10 DGCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](C)C(C)C ZINC001319815695 1108647933 /nfs/dbraw/zinc/64/79/33/1108647933.db2.gz LSXXKPLWPSGUBH-INIZCTEOSA-N 2 1 321.484 3.444 20 10 DGCDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000164616049 432050529 /nfs/dbraw/zinc/05/05/29/432050529.db2.gz SBEIMSPLOCYLSE-HNNXBMFYSA-N 2 1 300.450 3.389 20 10 DGCDMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccc(F)cc1[O-] ZINC000286277439 131228032 /nfs/dbraw/zinc/22/80/32/131228032.db2.gz VPBYOVMTPDWHKJ-LRDDRELGSA-N 2 1 305.397 3.413 20 10 DGCDMP C[NH+](CCC[N@H+](C)Cc1ccccc1O)Cc1ccccc1O ZINC000077284302 431581861 /nfs/dbraw/zinc/58/18/61/431581861.db2.gz CPEVUSCRQYVXCK-UHFFFAOYSA-N 2 1 314.429 3.052 20 10 DGCDMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000152430631 432332760 /nfs/dbraw/zinc/33/27/60/432332760.db2.gz YDUAXUQRACYFKK-HNAYVOBHSA-N 2 1 301.478 3.278 20 10 DGCDMP C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1n1ccnc1 ZINC000271228099 432357596 /nfs/dbraw/zinc/35/75/96/432357596.db2.gz BFMFKLMMCFFXLN-IUODEOHRSA-N 2 1 305.809 3.325 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1n1ccnc1 ZINC000271228099 432357600 /nfs/dbraw/zinc/35/76/00/432357600.db2.gz BFMFKLMMCFFXLN-IUODEOHRSA-N 2 1 305.809 3.325 20 10 DGCDMP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(F)cc1O ZINC000184936760 432447934 /nfs/dbraw/zinc/44/79/34/432447934.db2.gz BWWGQLSKXPMMFP-ZDUSSCGKSA-N 2 1 302.393 3.444 20 10 DGCDMP COCCC[NH+]1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293807294 433875890 /nfs/dbraw/zinc/87/58/90/433875890.db2.gz RJJIYEZSOMRZKV-MRXNPFEDSA-N 2 1 320.477 3.161 20 10 DGCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000367687037 434554281 /nfs/dbraw/zinc/55/42/81/434554281.db2.gz NBMQULYEDZCNLH-AWEZNQCLSA-N 2 1 308.853 3.209 20 10 DGCDMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000363792858 332248618 /nfs/dbraw/zinc/24/86/18/332248618.db2.gz OROXUJWLBWYLLU-WDSOQIARSA-N 2 1 301.478 3.420 20 10 DGCDMP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000185358111 534204552 /nfs/dbraw/zinc/20/45/52/534204552.db2.gz VRNFCQFVBSHSEP-LSDHHAIUSA-N 2 1 306.450 3.172 20 10 DGCDMP CN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1F ZINC000853093595 620668078 /nfs/dbraw/zinc/66/80/78/620668078.db2.gz ORMKFUFZSUYROP-QGZVFWFLSA-N 2 1 319.468 3.103 20 10 DGCDMP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853241519 620681407 /nfs/dbraw/zinc/68/14/07/620681407.db2.gz WKFIPNZQQOOZBV-RDJZCZTQSA-N 2 1 302.462 3.473 20 10 DGCDMP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854227419 620786123 /nfs/dbraw/zinc/78/61/23/620786123.db2.gz OILACKSEMMNHLL-BIXGBWIQSA-N 2 1 322.452 3.408 20 10 DGCDMP CC[NH+](CC)CC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893939711 618679365 /nfs/dbraw/zinc/67/93/65/618679365.db2.gz GDZZNNOXKKLTQI-UHFFFAOYSA-N 2 1 312.404 3.224 20 10 DGCDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000894044003 618698482 /nfs/dbraw/zinc/69/84/82/618698482.db2.gz HPYDSVDCAQGCFT-GOEBONIOSA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000894044003 618698483 /nfs/dbraw/zinc/69/84/83/618698483.db2.gz HPYDSVDCAQGCFT-GOEBONIOSA-N 2 1 306.450 3.014 20 10 DGCDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(OC)c2O)C[C@@H]1C ZINC000894044003 618698484 /nfs/dbraw/zinc/69/84/84/618698484.db2.gz HPYDSVDCAQGCFT-GOEBONIOSA-N 2 1 306.450 3.014 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841086258 620225318 /nfs/dbraw/zinc/22/53/18/620225318.db2.gz GRTMPRZDJRSMQZ-VQIMIIECSA-N 2 1 301.478 3.025 20 10 DGCDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)CC1(C)C ZINC000858094767 621151782 /nfs/dbraw/zinc/15/17/82/621151782.db2.gz RVDKFTJZHQNULA-KRWDZBQOSA-N 2 1 301.478 3.249 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000839182145 621343687 /nfs/dbraw/zinc/34/36/87/621343687.db2.gz LDCNNMVTALGMEH-GOSISDBHSA-N 2 1 303.494 3.354 20 10 DGCDMP C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000757881356 621744697 /nfs/dbraw/zinc/74/46/97/621744697.db2.gz FYSHCGXJGOUGJF-QGZVFWFLSA-N 2 1 324.472 3.026 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000767359217 622393127 /nfs/dbraw/zinc/39/31/27/622393127.db2.gz GEFXFXQZFIXNRD-GOSISDBHSA-N 2 1 303.494 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000767359217 622393129 /nfs/dbraw/zinc/39/31/29/622393129.db2.gz GEFXFXQZFIXNRD-GOSISDBHSA-N 2 1 303.494 3.449 20 10 DGCDMP CCN(CC)c1ccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000767359217 622393133 /nfs/dbraw/zinc/39/31/33/622393133.db2.gz GEFXFXQZFIXNRD-GOSISDBHSA-N 2 1 303.494 3.449 20 10 DGCDMP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(O)cc1C ZINC000768466155 622458645 /nfs/dbraw/zinc/45/86/45/622458645.db2.gz NAQZUZJQSIYFNX-MRXNPFEDSA-N 2 1 318.461 3.017 20 10 DGCDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000768926808 622485575 /nfs/dbraw/zinc/48/55/75/622485575.db2.gz OAUMTROPTJPPDS-UHFFFAOYSA-N 2 1 321.484 3.444 20 10 DGCDMP CCC1([NH+](C)C)CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000872668383 622949777 /nfs/dbraw/zinc/94/97/77/622949777.db2.gz FYDZEMPPRSSNPT-UHFFFAOYSA-N 2 1 306.450 3.015 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000773766313 623070566 /nfs/dbraw/zinc/07/05/66/623070566.db2.gz RPJPIWSXUTVAEO-MJGOQNOKSA-N 2 1 301.478 3.059 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000773766313 623070571 /nfs/dbraw/zinc/07/05/71/623070571.db2.gz RPJPIWSXUTVAEO-MJGOQNOKSA-N 2 1 301.478 3.059 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000773766313 623070579 /nfs/dbraw/zinc/07/05/79/623070579.db2.gz RPJPIWSXUTVAEO-MJGOQNOKSA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1O ZINC000873236614 623087049 /nfs/dbraw/zinc/08/70/49/623087049.db2.gz YLFCYTXKOXHZCD-GFCCVEGCSA-N 2 1 300.377 3.028 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCCC1 ZINC000775638224 623300609 /nfs/dbraw/zinc/30/06/09/623300609.db2.gz CONGJMFOKPVUHI-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775649404 623303560 /nfs/dbraw/zinc/30/35/60/623303560.db2.gz QXLBPWLPOXOHJF-YLJYHZDGSA-N 2 1 315.505 3.449 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3C3CCC3)cc2)CC1 ZINC000775669574 623310055 /nfs/dbraw/zinc/31/00/55/623310055.db2.gz LVFUASFCLXQFNG-FQEVSTJZSA-N 2 1 313.489 3.203 20 10 DGCDMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(O)c1 ZINC000876811575 623713735 /nfs/dbraw/zinc/71/37/35/623713735.db2.gz LIILZWLXWIVCGA-MAUKXSAKSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(O)c1 ZINC000876811575 623713739 /nfs/dbraw/zinc/71/37/39/623713739.db2.gz LIILZWLXWIVCGA-MAUKXSAKSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(O)c1 ZINC000876811575 623713743 /nfs/dbraw/zinc/71/37/43/623713743.db2.gz LIILZWLXWIVCGA-MAUKXSAKSA-N 2 1 300.446 3.149 20 10 DGCDMP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000877486948 623907615 /nfs/dbraw/zinc/90/76/15/623907615.db2.gz ONGMDDVJJDMDHH-GOSISDBHSA-N 2 1 310.441 3.312 20 10 DGCDMP COc1cccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1O ZINC000877767576 624028390 /nfs/dbraw/zinc/02/83/90/624028390.db2.gz OLZKWHMWBGTFML-UHFFFAOYSA-N 2 1 320.477 3.201 20 10 DGCDMP CCN(C)c1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000880473617 624964651 /nfs/dbraw/zinc/96/46/51/624964651.db2.gz KJMNLHXJXLIUOU-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000788692751 625244838 /nfs/dbraw/zinc/24/48/38/625244838.db2.gz PURYQPKLMQOKQM-LLVKDONJSA-N 2 1 314.351 3.324 20 10 DGCDMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000788692751 625244847 /nfs/dbraw/zinc/24/48/47/625244847.db2.gz PURYQPKLMQOKQM-LLVKDONJSA-N 2 1 314.351 3.324 20 10 DGCDMP CN1CCCc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)ccc21 ZINC000796726888 626076687 /nfs/dbraw/zinc/07/66/87/626076687.db2.gz GIUFSKXTQIACGC-QWFCFKBJSA-N 2 1 313.489 3.031 20 10 DGCDMP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1O ZINC000798182350 626200567 /nfs/dbraw/zinc/20/05/67/626200567.db2.gz HCQQGVMWXDBLIJ-NSHDSACASA-N 2 1 316.367 3.403 20 10 DGCDMP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000886715938 627196849 /nfs/dbraw/zinc/19/68/49/627196849.db2.gz JQWAFOZZLPGZDW-UHFFFAOYSA-N 2 1 301.478 3.203 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000815057646 627620579 /nfs/dbraw/zinc/62/05/79/627620579.db2.gz WHZDQAACGPYWBQ-AEFFLSMTSA-N 2 1 303.494 3.366 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000815057646 627620583 /nfs/dbraw/zinc/62/05/83/627620583.db2.gz WHZDQAACGPYWBQ-AEFFLSMTSA-N 2 1 303.494 3.366 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000815057646 627620584 /nfs/dbraw/zinc/62/05/84/627620584.db2.gz WHZDQAACGPYWBQ-AEFFLSMTSA-N 2 1 303.494 3.366 20 10 DGCDMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817966287 627977453 /nfs/dbraw/zinc/97/74/53/627977453.db2.gz KJBIRPWRNJOWIG-XHDPSFHLSA-N 2 1 316.367 3.451 20 10 DGCDMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817965477 627977692 /nfs/dbraw/zinc/97/76/92/627977692.db2.gz RKRBWKBORRVFBD-DNVCBOLYSA-N 2 1 301.478 3.455 20 10 DGCDMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817965611 627977773 /nfs/dbraw/zinc/97/77/73/627977773.db2.gz SCYGDSOZGTYXLM-DYVFJYSZSA-N 2 1 305.441 3.204 20 10 DGCDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1O ZINC000817970390 627978677 /nfs/dbraw/zinc/97/86/77/627978677.db2.gz UKPWNVZTZZOBQW-DCAQKATOSA-N 2 1 302.340 3.332 20 10 DGCDMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(Cl)c(Cl)cc1O ZINC000817969231 627978950 /nfs/dbraw/zinc/97/89/50/627978950.db2.gz AAWDAGMUEPNMFB-RVBZMBCESA-N 2 1 303.233 3.348 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(C(F)(F)F)c1O ZINC000817976521 627980669 /nfs/dbraw/zinc/98/06/69/627980669.db2.gz NAQIJCQFDSMEIO-GXFFZTMASA-N 2 1 314.351 3.204 20 10 DGCDMP C[C@@H]1CC2(C[N@H+]1C/C=C/c1ccc(N(C)C)cc1)CC[NH2+]CC2 ZINC000818431713 628022545 /nfs/dbraw/zinc/02/25/45/628022545.db2.gz RIHCJXNPGNPKAD-LAQIPUCWSA-N 2 1 313.489 3.230 20 10 DGCDMP CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000835030458 629829623 /nfs/dbraw/zinc/82/96/23/629829623.db2.gz YEHVCRBYEANRCM-XLKJWTSGSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000835030458 629829626 /nfs/dbraw/zinc/82/96/26/629829626.db2.gz YEHVCRBYEANRCM-XLKJWTSGSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000835030458 629829629 /nfs/dbraw/zinc/82/96/29/629829629.db2.gz YEHVCRBYEANRCM-XLKJWTSGSA-N 2 1 313.489 3.182 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000835045397 629833750 /nfs/dbraw/zinc/83/37/50/629833750.db2.gz LNDBQJDXJCTMEB-XQRVVYSFSA-N 2 1 313.489 3.326 20 10 DGCDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054455 629838249 /nfs/dbraw/zinc/83/82/49/629838249.db2.gz VTHZOHJBQCIHMV-NHBNWDHASA-N 2 1 301.478 3.038 20 10 DGCDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054455 629838253 /nfs/dbraw/zinc/83/82/53/629838253.db2.gz VTHZOHJBQCIHMV-NHBNWDHASA-N 2 1 301.478 3.038 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054455 629838256 /nfs/dbraw/zinc/83/82/56/629838256.db2.gz VTHZOHJBQCIHMV-NHBNWDHASA-N 2 1 301.478 3.038 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835054455 629838259 /nfs/dbraw/zinc/83/82/59/629838259.db2.gz VTHZOHJBQCIHMV-NHBNWDHASA-N 2 1 301.478 3.038 20 10 DGCDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054457 629838979 /nfs/dbraw/zinc/83/89/79/629838979.db2.gz VTHZOHJBQCIHMV-QXJVMSCWSA-N 2 1 301.478 3.038 20 10 DGCDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054457 629838985 /nfs/dbraw/zinc/83/89/85/629838985.db2.gz VTHZOHJBQCIHMV-QXJVMSCWSA-N 2 1 301.478 3.038 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054457 629838989 /nfs/dbraw/zinc/83/89/89/629838989.db2.gz VTHZOHJBQCIHMV-QXJVMSCWSA-N 2 1 301.478 3.038 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835054457 629838992 /nfs/dbraw/zinc/83/89/92/629838992.db2.gz VTHZOHJBQCIHMV-QXJVMSCWSA-N 2 1 301.478 3.038 20 10 DGCDMP C[N@H+](CCCC[NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000835062168 629841298 /nfs/dbraw/zinc/84/12/98/629841298.db2.gz ABWKCTCUCKERPA-UHFFFAOYSA-N 2 1 300.805 3.149 20 10 DGCDMP C[N@@H+](CCCC[NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000835062168 629841302 /nfs/dbraw/zinc/84/13/02/629841302.db2.gz ABWKCTCUCKERPA-UHFFFAOYSA-N 2 1 300.805 3.149 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840918286 630377972 /nfs/dbraw/zinc/37/79/72/630377972.db2.gz ZEMIRBLZVYMQHG-KRWDZBQOSA-N 2 1 303.494 3.225 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000840918236 630378028 /nfs/dbraw/zinc/37/80/28/630378028.db2.gz QJQXAHMNLQNQGP-AWEZNQCLSA-N 2 1 308.853 3.272 20 10 DGCDMP CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000841005048 630394333 /nfs/dbraw/zinc/39/43/33/630394333.db2.gz DDURHFPVERAAJD-AEFFLSMTSA-N 2 1 303.494 3.351 20 10 DGCDMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)CC[NH2+]1 ZINC000841003261 630394389 /nfs/dbraw/zinc/39/43/89/630394389.db2.gz PDVJFGZHKCAUQH-HKUYNNGSSA-N 2 1 315.505 3.497 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843046654 630608216 /nfs/dbraw/zinc/60/82/16/630608216.db2.gz YAUCBILNYDGJSE-AWEZNQCLSA-N 2 1 312.816 3.149 20 10 DGCDMP Oc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126044 630616361 /nfs/dbraw/zinc/61/63/61/630616361.db2.gz FFULDVJIRJXCNT-KGLIPLIRSA-N 2 1 308.853 3.257 20 10 DGCDMP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126108 630616558 /nfs/dbraw/zinc/61/65/58/630616558.db2.gz GOBXQBFZQUKBRU-KGLIPLIRSA-N 2 1 308.853 3.257 20 10 DGCDMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1O ZINC000843127250 630617070 /nfs/dbraw/zinc/61/70/70/630617070.db2.gz PBTIIIGFNADPBC-HOTGVXAUSA-N 2 1 318.461 3.003 20 10 DGCDMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1O ZINC000843127248 630617331 /nfs/dbraw/zinc/61/73/31/630617331.db2.gz PBTIIIGFNADPBC-CVEARBPZSA-N 2 1 318.461 3.003 20 10 DGCDMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(N2CCCCC2)cc1 ZINC000844221347 630712970 /nfs/dbraw/zinc/71/29/70/630712970.db2.gz WVEJGPFYVSEFEA-KRWDZBQOSA-N 2 1 301.478 3.108 20 10 DGCDMP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000844925994 630988047 /nfs/dbraw/zinc/98/80/47/630988047.db2.gz SRWOENBIPGENIE-NSHDSACASA-N 2 1 316.367 3.451 20 10 DGCDMP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1O ZINC000846143232 631211902 /nfs/dbraw/zinc/21/19/02/631211902.db2.gz CWAYKMOVKWXOHJ-CABCVRRESA-N 2 1 306.450 3.172 20 10 DGCDMP CCc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1O ZINC000848908096 631781715 /nfs/dbraw/zinc/78/17/15/631781715.db2.gz NIKUHWGZOLFBDO-UHFFFAOYSA-N 2 1 302.462 3.262 20 10 DGCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000849349772 631901062 /nfs/dbraw/zinc/90/10/62/631901062.db2.gz HAGVVTOPMDNZKX-INIZCTEOSA-N 2 1 318.461 3.003 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1C ZINC000849350743 631901896 /nfs/dbraw/zinc/90/18/96/631901896.db2.gz UTUZQWDLBBWDLE-KRWDZBQOSA-N 2 1 302.462 3.221 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000378951311 685146134 /nfs/dbraw/zinc/14/61/34/685146134.db2.gz HTXCXOPWJQOVRI-MJGOQNOKSA-N 2 1 301.478 3.249 20 10 DGCDMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC001576597016 1191851985 /nfs/dbraw/zinc/85/19/85/1191851985.db2.gz CRJNNKMACDDRAZ-AEFFLSMTSA-N 2 1 301.478 3.107 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1F ZINC001577699753 1191913039 /nfs/dbraw/zinc/91/30/39/1191913039.db2.gz XAAWBVWGGOZCQD-KRWDZBQOSA-N 2 1 307.457 3.279 20 10 DGCDMP Cc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1N1CCCCC1 ZINC001579593126 1191981040 /nfs/dbraw/zinc/98/10/40/1191981040.db2.gz VTQNFDNOAILFFH-UHFFFAOYSA-N 2 1 301.478 3.169 20 10 DGCDMP CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001621003378 1192779530 /nfs/dbraw/zinc/77/95/30/1192779530.db2.gz GUUGAMIHRNMAMQ-OAHLLOKOSA-N 2 1 321.484 3.492 20 10 DGCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CCCC1 ZINC001341554131 1179028165 /nfs/dbraw/zinc/02/81/65/1179028165.db2.gz SUZVTWLOPGTODV-UHFFFAOYSA-N 2 1 319.468 3.200 20 10 DGCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CCCC1 ZINC001341554131 1179028172 /nfs/dbraw/zinc/02/81/72/1179028172.db2.gz SUZVTWLOPGTODV-UHFFFAOYSA-N 2 1 319.468 3.200 20 10 DGCDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352644 1179260626 /nfs/dbraw/zinc/26/06/26/1179260626.db2.gz BZTIGDVKMLVCCY-APWZRJJASA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352644 1179260631 /nfs/dbraw/zinc/26/06/31/1179260631.db2.gz BZTIGDVKMLVCCY-APWZRJJASA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352644 1179260635 /nfs/dbraw/zinc/26/06/35/1179260635.db2.gz BZTIGDVKMLVCCY-APWZRJJASA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352644 1179260638 /nfs/dbraw/zinc/26/06/38/1179260638.db2.gz BZTIGDVKMLVCCY-APWZRJJASA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352647 1179260954 /nfs/dbraw/zinc/26/09/54/1179260954.db2.gz BZTIGDVKMLVCCY-VQIMIIECSA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352647 1179260959 /nfs/dbraw/zinc/26/09/59/1179260959.db2.gz BZTIGDVKMLVCCY-VQIMIIECSA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352647 1179260963 /nfs/dbraw/zinc/26/09/63/1179260963.db2.gz BZTIGDVKMLVCCY-VQIMIIECSA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001343352647 1179260969 /nfs/dbraw/zinc/26/09/69/1179260969.db2.gz BZTIGDVKMLVCCY-VQIMIIECSA-N 2 1 301.478 3.059 20 10 DGCDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001473988417 1183844229 /nfs/dbraw/zinc/84/42/29/1183844229.db2.gz DEKWFYXMIRZUDQ-LJQANCHMSA-N 2 1 315.505 3.497 20 10 DGCDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(C)cc(OC)c1O ZINC001652391285 1195591039 /nfs/dbraw/zinc/59/10/39/1195591039.db2.gz CYJDSCDFJJBEDB-UHFFFAOYSA-N 2 1 308.466 3.263 20 10 DGCDMP C[C@@H](CC[NH2+]Cc1ccc(N(C)C)c(F)c1)[NH+]1CCCCC1 ZINC001657768183 1196176410 /nfs/dbraw/zinc/17/64/10/1196176410.db2.gz GUAYVAHQDUEYLA-HNNXBMFYSA-N 2 1 307.457 3.246 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001204727529 1084861839 /nfs/dbraw/zinc/86/18/39/1084861839.db2.gz CADQCZIWOUQINK-UHFFFAOYSA-N 2 1 315.505 3.498 20 10 DGCDMP Oc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001203551702 1090754458 /nfs/dbraw/zinc/75/44/58/1090754458.db2.gz KYFPMYVGDGCKSD-HZPDHXFCSA-N 2 1 314.454 3.018 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c2ccccc21 ZINC001204240305 1090931241 /nfs/dbraw/zinc/93/12/41/1090931241.db2.gz NZFGBPHCGRDRAA-OAQYLSRUSA-N 2 1 323.484 3.433 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc21 ZINC001204240305 1090931244 /nfs/dbraw/zinc/93/12/44/1090931244.db2.gz NZFGBPHCGRDRAA-OAQYLSRUSA-N 2 1 323.484 3.433 20 10 DGCDMP CN(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc21 ZINC001204240305 1090931249 /nfs/dbraw/zinc/93/12/49/1090931249.db2.gz NZFGBPHCGRDRAA-OAQYLSRUSA-N 2 1 323.484 3.433 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)Cc2ccccc21 ZINC001205164957 1091116743 /nfs/dbraw/zinc/11/67/43/1091116743.db2.gz YCGGARDOQRMFDJ-QGZVFWFLSA-N 2 1 321.468 3.216 20 10 DGCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC001138216964 1091118809 /nfs/dbraw/zinc/11/88/09/1091118809.db2.gz REJCOKDLPNLYKM-MOPGFXCFSA-N 2 1 313.489 3.060 20 10 DGCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC001138216964 1091118811 /nfs/dbraw/zinc/11/88/11/1091118811.db2.gz REJCOKDLPNLYKM-MOPGFXCFSA-N 2 1 313.489 3.060 20 10 DGCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C1 ZINC001138216964 1091118815 /nfs/dbraw/zinc/11/88/15/1091118815.db2.gz REJCOKDLPNLYKM-MOPGFXCFSA-N 2 1 313.489 3.060 20 10 DGCDMP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@H]21 ZINC001138220676 1091119453 /nfs/dbraw/zinc/11/94/53/1091119453.db2.gz MAMSWYIXGVPVLI-UYAOXDASSA-N 2 1 313.489 3.203 20 10 DGCDMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)C[C@H]21 ZINC001138220676 1091119458 /nfs/dbraw/zinc/11/94/58/1091119458.db2.gz MAMSWYIXGVPVLI-UYAOXDASSA-N 2 1 313.489 3.203 20 10 DGCDMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001205203027 1091129229 /nfs/dbraw/zinc/12/92/29/1091129229.db2.gz YLXBPPQRGFCSHC-SJKOYZFVSA-N 2 1 300.377 3.120 20 10 DGCDMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001205203027 1091129234 /nfs/dbraw/zinc/12/92/34/1091129234.db2.gz YLXBPPQRGFCSHC-SJKOYZFVSA-N 2 1 300.377 3.120 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1O ZINC001205571601 1091260109 /nfs/dbraw/zinc/26/01/09/1091260109.db2.gz VVPQUQBRJRFYEV-SFHVURJKSA-N 2 1 308.441 3.343 20 10 DGCDMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001205591413 1091270871 /nfs/dbraw/zinc/27/08/71/1091270871.db2.gz MERHBIXPGSYGOY-CQSZACIVSA-N 2 1 321.223 3.352 20 10 DGCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001205591413 1091270878 /nfs/dbraw/zinc/27/08/78/1091270878.db2.gz MERHBIXPGSYGOY-CQSZACIVSA-N 2 1 321.223 3.352 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CC[C@H]1C[NH3+] ZINC001205638612 1091292324 /nfs/dbraw/zinc/29/23/24/1091292324.db2.gz PYMHIKXTIDKSDM-NEPJUHHUSA-N 2 1 316.367 3.218 20 10 DGCDMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001205903494 1091401364 /nfs/dbraw/zinc/40/13/64/1091401364.db2.gz PQYCXAYHRRMMIU-SJLPKXTDSA-N 2 1 301.478 3.236 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCC[C@H]1C[NH3+] ZINC001206023164 1091454721 /nfs/dbraw/zinc/45/47/21/1091454721.db2.gz DKNXQFRCVIZMCF-GJZGRUSLSA-N 2 1 304.478 3.497 20 10 DGCDMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139257223 1091501366 /nfs/dbraw/zinc/50/13/66/1091501366.db2.gz UYALSHPBQZTSIZ-ZIAGYGMSSA-N 2 1 306.450 3.083 20 10 DGCDMP CC[C@H]1CCC[N@@H+](Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139257559 1091502056 /nfs/dbraw/zinc/50/20/56/1091502056.db2.gz FEABJCQUNUTDNS-AWEZNQCLSA-N 2 1 306.450 3.084 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC001139408068 1091551242 /nfs/dbraw/zinc/55/12/42/1091551242.db2.gz JHDGNYRVFGIJKE-QZTJIDSGSA-N 2 1 315.505 3.306 20 10 DGCDMP CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c1O ZINC001206360739 1091597168 /nfs/dbraw/zinc/59/71/68/1091597168.db2.gz AGRHZKLICGMJTH-GOSISDBHSA-N 2 1 308.441 3.343 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c1O ZINC001206360739 1091597182 /nfs/dbraw/zinc/59/71/82/1091597182.db2.gz AGRHZKLICGMJTH-GOSISDBHSA-N 2 1 308.441 3.343 20 10 DGCDMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001206362729 1091600309 /nfs/dbraw/zinc/60/03/09/1091600309.db2.gz QDWPORNOAQJADO-SFHVURJKSA-N 2 1 302.393 3.198 20 10 DGCDMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001206770071 1091732964 /nfs/dbraw/zinc/73/29/64/1091732964.db2.gz QIJDBNRHYAFBGI-HZPDHXFCSA-N 2 1 311.473 3.465 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@H](F)C3)cc2)CC1 ZINC001140302038 1091818860 /nfs/dbraw/zinc/81/88/60/1091818860.db2.gz IGZVEHCPQSSOQX-VQIMIIECSA-N 2 1 319.468 3.008 20 10 DGCDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140621415 1091935093 /nfs/dbraw/zinc/93/50/93/1091935093.db2.gz JCMGHFQXPXXUDX-UHFFFAOYSA-N 2 1 311.429 3.143 20 10 DGCDMP C[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[NH2+]1 ZINC001210517896 1093194595 /nfs/dbraw/zinc/19/45/95/1093194595.db2.gz ABIKNOGMKDHQPO-AWEZNQCLSA-N 2 1 314.404 3.382 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[NH2+]1 ZINC001210517896 1093194600 /nfs/dbraw/zinc/19/46/00/1093194600.db2.gz ABIKNOGMKDHQPO-AWEZNQCLSA-N 2 1 314.404 3.382 20 10 DGCDMP CCc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1O ZINC001336888808 1094774216 /nfs/dbraw/zinc/77/42/16/1094774216.db2.gz MKOHYARODVEMEL-RYQLBKOJSA-N 2 1 302.462 3.117 20 10 DGCDMP CC[C@@]1(C)CC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001337043040 1094828481 /nfs/dbraw/zinc/82/84/81/1094828481.db2.gz XERMKPDEHHRKAR-IBGZPJMESA-N 2 1 319.468 3.200 20 10 DGCDMP CC[C@@]1(C)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001337043040 1094828496 /nfs/dbraw/zinc/82/84/96/1094828496.db2.gz XERMKPDEHHRKAR-IBGZPJMESA-N 2 1 319.468 3.200 20 10 DGCDMP CC[C@@]1(C)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001337043040 1094828511 /nfs/dbraw/zinc/82/85/11/1094828511.db2.gz XERMKPDEHHRKAR-IBGZPJMESA-N 2 1 319.468 3.200 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC001222149034 1095458866 /nfs/dbraw/zinc/45/88/66/1095458866.db2.gz VIXQQFINDKSHRW-LJQANCHMSA-N 2 1 302.462 3.265 20 10 DGCDMP Cc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(O)c1 ZINC001222167829 1095474083 /nfs/dbraw/zinc/47/40/83/1095474083.db2.gz SKNVQYKPVLFORL-LJQANCHMSA-N 2 1 302.462 3.446 20 10 DGCDMP Cc1c(O)ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1O ZINC001222168273 1095475941 /nfs/dbraw/zinc/47/59/41/1095475941.db2.gz ZHYHODATRMLFHW-LJQANCHMSA-N 2 1 318.461 3.152 20 10 DGCDMP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1O ZINC001222278171 1095526000 /nfs/dbraw/zinc/52/60/00/1095526000.db2.gz XMULQZDLUIQKCX-KRWDZBQOSA-N 2 1 308.853 3.320 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)c1O ZINC001222278171 1095526012 /nfs/dbraw/zinc/52/60/12/1095526012.db2.gz XMULQZDLUIQKCX-KRWDZBQOSA-N 2 1 308.853 3.320 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC(C)(C)C3)cc2F)CC1 ZINC001116440410 1095552248 /nfs/dbraw/zinc/55/22/48/1095552248.db2.gz SSLUUTVZGIVFGN-MRXNPFEDSA-N 2 1 319.468 3.246 20 10 DGCDMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116443247 1095553282 /nfs/dbraw/zinc/55/32/82/1095553282.db2.gz LLDGTPZXTDPDEI-JKSUJKDBSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116443247 1095553298 /nfs/dbraw/zinc/55/32/98/1095553298.db2.gz LLDGTPZXTDPDEI-JKSUJKDBSA-N 2 1 319.468 3.198 20 10 DGCDMP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116443247 1095553310 /nfs/dbraw/zinc/55/33/10/1095553310.db2.gz LLDGTPZXTDPDEI-JKSUJKDBSA-N 2 1 319.468 3.198 20 10 DGCDMP CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001339509749 1095643839 /nfs/dbraw/zinc/64/38/39/1095643839.db2.gz MSSAJYJAAOAFCR-HOTGVXAUSA-N 2 1 321.484 3.492 20 10 DGCDMP Cc1ccc(C)c(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1O ZINC001222602522 1095686887 /nfs/dbraw/zinc/68/68/87/1095686887.db2.gz SEYOOAFAZARUMG-LJQANCHMSA-N 2 1 322.452 3.198 20 10 DGCDMP C[NH+]1CCC(C2CC[NH+](Cc3cccc(F)c3O)CC2)CC1 ZINC001138127426 1095901014 /nfs/dbraw/zinc/90/10/14/1095901014.db2.gz AVMWMWWCSYGELA-UHFFFAOYSA-N 2 1 306.425 3.085 20 10 DGCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC001234997699 1098740594 /nfs/dbraw/zinc/74/05/94/1098740594.db2.gz DOSZYFMSCPTTAP-IBGZPJMESA-N 2 1 302.462 3.265 20 10 DGCDMP Cc1cc(C[N@@H+]2CCC23CC[NH2+]CC3)c(C)n1-c1ccccc1 ZINC001235103150 1098802245 /nfs/dbraw/zinc/80/22/45/1098802245.db2.gz STURODSBBKDYMX-UHFFFAOYSA-N 2 1 309.457 3.422 20 10 DGCDMP Cc1cc(C[N@H+]2CCC23CC[NH2+]CC3)c(C)n1-c1ccccc1 ZINC001235103150 1098802259 /nfs/dbraw/zinc/80/22/59/1098802259.db2.gz STURODSBBKDYMX-UHFFFAOYSA-N 2 1 309.457 3.422 20 10 DGCDMP Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1O ZINC001235155292 1098842138 /nfs/dbraw/zinc/84/21/38/1098842138.db2.gz OAWCTKILCUEAFB-GOSISDBHSA-N 2 1 302.462 3.363 20 10 DGCDMP CC(C)(C)c1cccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)c1O ZINC001235408098 1099004717 /nfs/dbraw/zinc/00/47/17/1099004717.db2.gz UAGQBIIKYSABHH-LPHOPBHVSA-N 2 1 320.452 3.213 20 10 DGCDMP Cc1cc(F)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1O ZINC001235420606 1099012608 /nfs/dbraw/zinc/01/26/08/1099012608.db2.gz ACUVUDXPKXIJRE-CABCVRRESA-N 2 1 306.425 3.051 20 10 DGCDMP Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432912 1099031700 /nfs/dbraw/zinc/03/17/00/1099031700.db2.gz ZILYUHLFPOIYSI-ZIAGYGMSSA-N 2 1 308.853 3.257 20 10 DGCDMP Cc1ccc(C[N@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001235663693 1099112548 /nfs/dbraw/zinc/11/25/48/1099112548.db2.gz JPJZOLIJTKGEJA-UHFFFAOYSA-N 2 1 309.457 3.037 20 10 DGCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235680126 1099124979 /nfs/dbraw/zinc/12/49/79/1099124979.db2.gz ILZRRLTUAJLAFS-IYBDPMFKSA-N 2 1 302.462 3.073 20 10 DGCDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235680126 1099124984 /nfs/dbraw/zinc/12/49/84/1099124984.db2.gz ILZRRLTUAJLAFS-IYBDPMFKSA-N 2 1 302.462 3.073 20 10 DGCDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]2C1 ZINC001235680126 1099124992 /nfs/dbraw/zinc/12/49/92/1099124992.db2.gz ILZRRLTUAJLAFS-IYBDPMFKSA-N 2 1 302.462 3.073 20 10 DGCDMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccc(N2CCCC2)cc1 ZINC001235694726 1099132201 /nfs/dbraw/zinc/13/22/01/1099132201.db2.gz RTFZTVNNYVVCIO-GOSISDBHSA-N 2 1 301.478 3.251 20 10 DGCDMP Oc1c(C[N@H+]2CCCC3(C[NH2+]C3)C2)cccc1-c1ccccc1 ZINC001235713739 1099141341 /nfs/dbraw/zinc/14/13/41/1099141341.db2.gz OPIAKUIVTFRMRV-UHFFFAOYSA-N 2 1 308.425 3.245 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)c2c1 ZINC001236207011 1099462787 /nfs/dbraw/zinc/46/27/87/1099462787.db2.gz MWSZMHAJOWPPRY-LJQANCHMSA-N 2 1 314.429 3.128 20 10 DGCDMP COc1ccc2ccc(O)c(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)c2c1 ZINC001236207011 1099462794 /nfs/dbraw/zinc/46/27/94/1099462794.db2.gz MWSZMHAJOWPPRY-LJQANCHMSA-N 2 1 314.429 3.128 20 10 DGCDMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001236214369 1099469638 /nfs/dbraw/zinc/46/96/38/1099469638.db2.gz BXUQBGXYBSDOGN-UHFFFAOYSA-N 2 1 316.367 3.373 20 10 DGCDMP Oc1ccc(F)cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374160 1099559016 /nfs/dbraw/zinc/55/90/16/1099559016.db2.gz PHZXREKKXCVAOK-CQSZACIVSA-N 2 1 306.425 3.276 20 10 DGCDMP CCOc1cccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1O ZINC001236458810 1099623737 /nfs/dbraw/zinc/62/37/37/1099623737.db2.gz YVSWGXIPKUMNOB-UHFFFAOYSA-N 2 1 320.477 3.391 20 10 DGCDMP Cc1cc(Cl)cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1O ZINC001236602548 1099697631 /nfs/dbraw/zinc/69/76/31/1099697631.db2.gz XDSREZDMOFSLRB-CYBMUJFWSA-N 2 1 308.853 3.318 20 10 DGCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)[C@H](C)C1 ZINC001236939668 1099881775 /nfs/dbraw/zinc/88/17/75/1099881775.db2.gz UCWBWXHQKIBNIK-HZPDHXFCSA-N 2 1 319.468 3.198 20 10 DGCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C[C@@H]1CC1(C)C ZINC001236943016 1099884875 /nfs/dbraw/zinc/88/48/75/1099884875.db2.gz PANKBJXUUYUJNU-INIZCTEOSA-N 2 1 319.468 3.055 20 10 DGCDMP Cc1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)ccc1N(C)C ZINC001195535327 1101156057 /nfs/dbraw/zinc/15/60/57/1101156057.db2.gz IORPZUSSFYNJRH-UHFFFAOYSA-N 2 1 324.472 3.168 20 10 DGCDMP C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947405 1102767383 /nfs/dbraw/zinc/76/73/83/1102767383.db2.gz XUVGCJNACXVNIA-MAUKXSAKSA-N 2 1 314.473 3.364 20 10 DGCDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001328783371 1104068841 /nfs/dbraw/zinc/06/88/41/1104068841.db2.gz LLNQUIRFHFEFSB-SFHVURJKSA-N 2 1 301.478 3.108 20 10 DGCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246917389 1104736700 /nfs/dbraw/zinc/73/67/00/1104736700.db2.gz CQWYGHVUNNOFQJ-IBGZPJMESA-N 2 1 315.505 3.497 20 10 DGCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@@H]1C ZINC001320509418 1107034118 /nfs/dbraw/zinc/03/41/18/1107034118.db2.gz PYQQJFKMXYRFOY-HOTGVXAUSA-N 2 1 319.468 3.055 20 10 DGCDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@@H]1C ZINC001320509418 1107034132 /nfs/dbraw/zinc/03/41/32/1107034132.db2.gz PYQQJFKMXYRFOY-HOTGVXAUSA-N 2 1 319.468 3.055 20 10 DGCDMP C[C@H]1CCCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320537997 1107045177 /nfs/dbraw/zinc/04/51/77/1107045177.db2.gz NQSYXSVSZUFNCG-INIZCTEOSA-N 2 1 319.468 3.200 20 10 DGCDMP C[C@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320537997 1107045193 /nfs/dbraw/zinc/04/51/93/1107045193.db2.gz NQSYXSVSZUFNCG-INIZCTEOSA-N 2 1 319.468 3.200 20 10 DGCDMP CC(C)C[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)C(C)C ZINC001323291317 1107920118 /nfs/dbraw/zinc/92/01/18/1107920118.db2.gz QNUGZGRBNITWTH-UHFFFAOYSA-N 2 1 321.484 3.444 20 10 DGCDMP CC(C)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)C ZINC001323291317 1107920125 /nfs/dbraw/zinc/92/01/25/1107920125.db2.gz QNUGZGRBNITWTH-UHFFFAOYSA-N 2 1 321.484 3.444 20 10 DGCDMP CC(C)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)C ZINC001323291317 1107920131 /nfs/dbraw/zinc/92/01/31/1107920131.db2.gz QNUGZGRBNITWTH-UHFFFAOYSA-N 2 1 321.484 3.444 20 10 DGCDMP CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001319707753 1108602938 /nfs/dbraw/zinc/60/29/38/1108602938.db2.gz XSRWGKHNYBYMFY-NVXWUHKLSA-N 2 1 319.468 3.198 20 10 DGCDMP CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319707753 1108602940 /nfs/dbraw/zinc/60/29/40/1108602940.db2.gz XSRWGKHNYBYMFY-NVXWUHKLSA-N 2 1 319.468 3.198 20 10 DGCDMP CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319707753 1108602947 /nfs/dbraw/zinc/60/29/47/1108602947.db2.gz XSRWGKHNYBYMFY-NVXWUHKLSA-N 2 1 319.468 3.198 20 10 DGCDMP CCOc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000093563844 193268025 /nfs/dbraw/zinc/26/80/25/193268025.db2.gz WVRQIQYWBBXSCW-QGZVFWFLSA-N 2 1 318.461 3.241 20 10 DGCDMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273563837 130136917 /nfs/dbraw/zinc/13/69/17/130136917.db2.gz IVZDIBCKGLEEAM-MRXNPFEDSA-N 2 1 320.477 3.161 20 10 DGCDMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000157493458 432622223 /nfs/dbraw/zinc/62/22/23/432622223.db2.gz NUGQZINKDMDWMR-MJGOQNOKSA-N 2 1 315.505 3.495 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000366956848 434532632 /nfs/dbraw/zinc/53/26/32/434532632.db2.gz WYEOESIHTQYVQT-UHFFFAOYSA-N 2 1 301.478 3.060 20 10 DGCDMP CCCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(O)c1 ZINC000156096110 520352890 /nfs/dbraw/zinc/35/28/90/520352890.db2.gz AKBBALXAMRFFSH-CRAIPNDOSA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(O)c1 ZINC000156096110 520352898 /nfs/dbraw/zinc/35/28/98/520352898.db2.gz AKBBALXAMRFFSH-CRAIPNDOSA-N 2 1 318.461 3.097 20 10 DGCDMP CCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(O)c1 ZINC000156096110 520352905 /nfs/dbraw/zinc/35/29/05/520352905.db2.gz AKBBALXAMRFFSH-CRAIPNDOSA-N 2 1 318.461 3.097 20 10 DGCDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000731041542 574541791 /nfs/dbraw/zinc/54/17/91/574541791.db2.gz FYQLMYCJYFCCND-INIZCTEOSA-N 2 1 310.441 3.491 20 10 DGCDMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000733324569 574615896 /nfs/dbraw/zinc/61/58/96/574615896.db2.gz KVRFSIPJAOFXPR-IYBDPMFKSA-N 2 1 321.484 3.349 20 10 DGCDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000733324569 574615897 /nfs/dbraw/zinc/61/58/97/574615897.db2.gz KVRFSIPJAOFXPR-IYBDPMFKSA-N 2 1 321.484 3.349 20 10 DGCDMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1C ZINC000750827074 575753894 /nfs/dbraw/zinc/75/38/94/575753894.db2.gz VJTVNYCWBRCLNJ-BLLLJJGKSA-N 2 1 322.424 3.039 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1C[NH3+] ZINC000904412075 619920830 /nfs/dbraw/zinc/92/08/30/619920830.db2.gz PEZOXMNYTGUUFV-SJLPKXTDSA-N 2 1 301.478 3.094 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000152080939 620490711 /nfs/dbraw/zinc/49/07/11/620490711.db2.gz DTVWEKWOXPOSFW-IAGOWNOFSA-N 2 1 319.468 3.388 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000152080939 620490714 /nfs/dbraw/zinc/49/07/14/620490714.db2.gz DTVWEKWOXPOSFW-IAGOWNOFSA-N 2 1 319.468 3.388 20 10 DGCDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921688739 620934335 /nfs/dbraw/zinc/93/43/35/620934335.db2.gz DICHBQVDQZKRBJ-KRWDZBQOSA-N 2 1 302.462 3.222 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1N(C)C ZINC000923327625 621176358 /nfs/dbraw/zinc/17/63/58/621176358.db2.gz DWEFTRFJKUNNKB-ZWKOTPCHSA-N 2 1 301.478 3.025 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC(F)(F)CC3)cc2)CC1 ZINC000862467479 621592906 /nfs/dbraw/zinc/59/29/06/621592906.db2.gz WRDRFHOQWBOCPH-UHFFFAOYSA-N 2 1 323.431 3.060 20 10 DGCDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2c1c(F)ccc2O ZINC000756402615 621635555 /nfs/dbraw/zinc/63/55/55/621635555.db2.gz VXDCMCHNEQGYNF-TYNCELHUSA-N 2 1 304.409 3.154 20 10 DGCDMP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(O)cc1C ZINC000768466154 622458742 /nfs/dbraw/zinc/45/87/42/622458742.db2.gz NAQZUZJQSIYFNX-INIZCTEOSA-N 2 1 318.461 3.017 20 10 DGCDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC)cc2O)CC1 ZINC000768920213 622485347 /nfs/dbraw/zinc/48/53/47/622485347.db2.gz IVCYBLOLOUFVOR-UHFFFAOYSA-N 2 1 306.450 3.097 20 10 DGCDMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)c(O)c1 ZINC000769470749 622531020 /nfs/dbraw/zinc/53/10/20/622531020.db2.gz OTNBYTGUMINLNU-ZBFHGGJFSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c(O)c1 ZINC000769470749 622531021 /nfs/dbraw/zinc/53/10/21/622531021.db2.gz OTNBYTGUMINLNU-ZBFHGGJFSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c(O)c1 ZINC000769470749 622531022 /nfs/dbraw/zinc/53/10/22/622531022.db2.gz OTNBYTGUMINLNU-ZBFHGGJFSA-N 2 1 306.450 3.096 20 10 DGCDMP CC1([NH+]2CCCC2)CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000872645469 622947004 /nfs/dbraw/zinc/94/70/04/622947004.db2.gz PVEFFAFJTJGMQB-UHFFFAOYSA-N 2 1 314.473 3.331 20 10 DGCDMP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CC1 ZINC000775632874 623299885 /nfs/dbraw/zinc/29/98/85/623299885.db2.gz CKNPMVKUKREUGG-UHFFFAOYSA-N 2 1 301.478 3.060 20 10 DGCDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000775669173 623309570 /nfs/dbraw/zinc/30/95/70/623309570.db2.gz TVXKLQOKJXQTTE-IAGOWNOFSA-N 2 1 301.478 3.059 20 10 DGCDMP COc1cccc(O)c1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000877767666 624028449 /nfs/dbraw/zinc/02/84/49/624028449.db2.gz SCLMAFZOCBFGJL-UHFFFAOYSA-N 2 1 320.477 3.201 20 10 DGCDMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(N2CCCCC2)cc1 ZINC000788257782 625105646 /nfs/dbraw/zinc/10/56/46/625105646.db2.gz QIQZAIQBCFBNBC-MRXNPFEDSA-N 2 1 312.461 3.304 20 10 DGCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1O ZINC000808675593 626847769 /nfs/dbraw/zinc/84/77/69/626847769.db2.gz MNJPYPMPXMDGQZ-OLZOCXBDSA-N 2 1 308.853 3.489 20 10 DGCDMP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1O ZINC000925803571 627797817 /nfs/dbraw/zinc/79/78/17/627797817.db2.gz RGZDDXORFROSGP-GRYCIOLGSA-N 2 1 316.367 3.307 20 10 DGCDMP C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)[C@H]1CCC[NH2+]C1 ZINC000817948101 627971277 /nfs/dbraw/zinc/97/12/77/627971277.db2.gz VETXXUYJDWRKRF-WOPDTQHZSA-N 2 1 316.367 3.450 20 10 DGCDMP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Cl)c(Cl)cc1O ZINC000817955027 627973382 /nfs/dbraw/zinc/97/33/82/627973382.db2.gz OXGNEOSMQJDVDJ-VHSXEESVSA-N 2 1 303.233 3.349 20 10 DGCDMP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817964617 627977174 /nfs/dbraw/zinc/97/71/74/627977174.db2.gz FYUBIJKFICDHHT-LLVKDONJSA-N 2 1 316.367 3.451 20 10 DGCDMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817969547 627978632 /nfs/dbraw/zinc/97/86/32/627978632.db2.gz WSGMVWNDQCZSCG-WDEREUQCSA-N 2 1 302.340 3.204 20 10 DGCDMP C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000835026371 629827837 /nfs/dbraw/zinc/82/78/37/629827837.db2.gz RYKOAQRJASQUJP-VAQJZUQRSA-N 2 1 301.478 3.180 20 10 DGCDMP C[C@@H]1C[C@@H]([NH+](C)C/C=C\c2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000835026371 629827844 /nfs/dbraw/zinc/82/78/44/629827844.db2.gz RYKOAQRJASQUJP-VAQJZUQRSA-N 2 1 301.478 3.180 20 10 DGCDMP C[C@@H]1C[C@@H]([N@H+](C)C/C=C\c2ccc(N(C)C)cc2)CC[NH+]1C ZINC000835026371 629827847 /nfs/dbraw/zinc/82/78/47/629827847.db2.gz RYKOAQRJASQUJP-VAQJZUQRSA-N 2 1 301.478 3.180 20 10 DGCDMP C[C@@H]1C[C@@H]([N@@H+](C)C/C=C\c2ccc(N(C)C)cc2)CC[NH+]1C ZINC000835026371 629827852 /nfs/dbraw/zinc/82/78/52/629827852.db2.gz RYKOAQRJASQUJP-VAQJZUQRSA-N 2 1 301.478 3.180 20 10 DGCDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027124 629829058 /nfs/dbraw/zinc/82/90/58/629829058.db2.gz BJQSDCNUTLPSRF-RURPWVQCSA-N 2 1 315.505 3.430 20 10 DGCDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027124 629829059 /nfs/dbraw/zinc/82/90/59/629829059.db2.gz BJQSDCNUTLPSRF-RURPWVQCSA-N 2 1 315.505 3.430 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027124 629829065 /nfs/dbraw/zinc/82/90/65/629829065.db2.gz BJQSDCNUTLPSRF-RURPWVQCSA-N 2 1 315.505 3.430 20 10 DGCDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027124 629829068 /nfs/dbraw/zinc/82/90/68/629829068.db2.gz BJQSDCNUTLPSRF-RURPWVQCSA-N 2 1 315.505 3.430 20 10 DGCDMP CC[N@H+]1CCC[C@H](C[NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835035246 629830272 /nfs/dbraw/zinc/83/02/72/629830272.db2.gz FADIEOGVTHEURB-SUQGKYDKSA-N 2 1 301.478 3.087 20 10 DGCDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835052295 629836856 /nfs/dbraw/zinc/83/68/56/629836856.db2.gz BZSDSOCFRKMSGC-XFHJGTJQSA-N 2 1 301.478 3.086 20 10 DGCDMP CCOCc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1OC ZINC000841039479 630400729 /nfs/dbraw/zinc/40/07/29/630400729.db2.gz QWJJLNDGTJTUCS-GOSISDBHSA-N 2 1 320.477 3.229 20 10 DGCDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]21 ZINC000843058027 630610147 /nfs/dbraw/zinc/61/01/47/630610147.db2.gz LMVDYHYGRKWAIU-MISYRCLQSA-N 2 1 313.489 3.236 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843123698 630615670 /nfs/dbraw/zinc/61/56/70/630615670.db2.gz NSAXQRWZHXONPF-FQEVSTJZSA-N 2 1 313.489 3.252 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000843123697 630615890 /nfs/dbraw/zinc/61/58/90/630615890.db2.gz NRRQBBDVHAHOKX-LJQANCHMSA-N 2 1 301.478 3.108 20 10 DGCDMP COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1O ZINC000846143234 631211934 /nfs/dbraw/zinc/21/19/34/631211934.db2.gz CWAYKMOVKWXOHJ-GJZGRUSLSA-N 2 1 306.450 3.172 20 10 DGCDMP CCc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000848888480 631772860 /nfs/dbraw/zinc/77/28/60/631772860.db2.gz UZHGLJIUXCWNON-SFHVURJKSA-N 2 1 302.462 3.405 20 10 DGCDMP CCc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000848891546 631774563 /nfs/dbraw/zinc/77/45/63/631774563.db2.gz ZYOWWLUIFSRUNE-LPHOPBHVSA-N 2 1 314.473 3.403 20 10 DGCDMP CCc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000848891546 631774572 /nfs/dbraw/zinc/77/45/72/631774572.db2.gz ZYOWWLUIFSRUNE-LPHOPBHVSA-N 2 1 314.473 3.403 20 10 DGCDMP CCc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000848891546 631774575 /nfs/dbraw/zinc/77/45/75/631774575.db2.gz ZYOWWLUIFSRUNE-LPHOPBHVSA-N 2 1 314.473 3.403 20 10 DGCDMP CCOc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(O)c1 ZINC000849350796 631901403 /nfs/dbraw/zinc/90/14/03/631901403.db2.gz WSLJPAUVTOGLCP-INIZCTEOSA-N 2 1 318.461 3.003 20 10 DGCDMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000172507633 659340765 /nfs/dbraw/zinc/34/07/65/659340765.db2.gz GNVIOZDCFLAKKQ-HNNXBMFYSA-N 2 1 304.478 3.382 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C ZINC000246371644 662255714 /nfs/dbraw/zinc/25/57/14/662255714.db2.gz OBEOGCUBYCVCNB-LPHOPBHVSA-N 2 1 314.473 3.458 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000246371644 662255717 /nfs/dbraw/zinc/25/57/17/662255717.db2.gz OBEOGCUBYCVCNB-LPHOPBHVSA-N 2 1 314.473 3.458 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000246371644 662255718 /nfs/dbraw/zinc/25/57/18/662255718.db2.gz OBEOGCUBYCVCNB-LPHOPBHVSA-N 2 1 314.473 3.458 20 10 DGCDMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC001576597018 1191851999 /nfs/dbraw/zinc/85/19/99/1191851999.db2.gz CRJNNKMACDDRAZ-FUHWJXTLSA-N 2 1 301.478 3.107 20 10 DGCDMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])ccc1N(C)C ZINC001579598122 1191981442 /nfs/dbraw/zinc/98/14/42/1191981442.db2.gz CWKVLIVDGNODFY-DNVCBOLYSA-N 2 1 303.494 3.400 20 10 DGCDMP COc1cc(C)cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1O ZINC001331527703 1178234753 /nfs/dbraw/zinc/23/47/53/1178234753.db2.gz CMJWNOHOJJNLNP-OAHLLOKOSA-N 2 1 306.450 3.063 20 10 DGCDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(N)cc2)C1 ZINC001334753951 1178791807 /nfs/dbraw/zinc/79/18/07/1178791807.db2.gz KBWPDRMYWWFJJA-WMZOPIPTSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(N)cc2)C1 ZINC001334753951 1178791812 /nfs/dbraw/zinc/79/18/12/1178791812.db2.gz KBWPDRMYWWFJJA-WMZOPIPTSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(N)cc2)C1 ZINC001334753951 1178791816 /nfs/dbraw/zinc/79/18/16/1178791816.db2.gz KBWPDRMYWWFJJA-WMZOPIPTSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334753951 1178791822 /nfs/dbraw/zinc/79/18/22/1178791822.db2.gz KBWPDRMYWWFJJA-WMZOPIPTSA-N 2 1 301.478 3.355 20 10 DGCDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001334753951 1178791828 /nfs/dbraw/zinc/79/18/28/1178791828.db2.gz KBWPDRMYWWFJJA-WMZOPIPTSA-N 2 1 301.478 3.355 20 10 DGCDMP CCCCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001651660888 1195492579 /nfs/dbraw/zinc/49/25/79/1195492579.db2.gz HROOYTWNXPJTII-UHFFFAOYSA-N 2 1 319.468 3.390 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001653025842 1195681493 /nfs/dbraw/zinc/68/14/93/1195681493.db2.gz OPDAPPGVIXJKRK-KRWDZBQOSA-N 2 1 324.472 3.167 20 10 DGCDMP CCN(C)c1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)cc1 ZINC001654837237 1195845156 /nfs/dbraw/zinc/84/51/56/1195845156.db2.gz AXQZAZZUWANPMP-QGZVFWFLSA-N 2 1 324.472 3.248 20 10 DGCDMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1F ZINC001656679993 1196060703 /nfs/dbraw/zinc/06/07/03/1196060703.db2.gz CFJROFSJSGURDL-UHFFFAOYSA-N 2 1 319.468 3.388 20 10 DGCDMP CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC001658028666 1196204415 /nfs/dbraw/zinc/20/44/15/1196204415.db2.gz YTDSFGCHOOQTFO-FUHWJXTLSA-N 2 1 302.462 3.432 20 10 DGCDMP CC(C)c1ccc(O)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC001658028666 1196204419 /nfs/dbraw/zinc/20/44/19/1196204419.db2.gz YTDSFGCHOOQTFO-FUHWJXTLSA-N 2 1 302.462 3.432 20 10 DGCDMP CC(C)c1ccc(O)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC001658028666 1196204424 /nfs/dbraw/zinc/20/44/24/1196204424.db2.gz YTDSFGCHOOQTFO-FUHWJXTLSA-N 2 1 302.462 3.432 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000315573662 1199807414 /nfs/dbraw/zinc/80/74/14/1199807414.db2.gz PVBWQJMHXDPRAG-LVQVYYBASA-N 2 1 300.446 3.465 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000315573662 1199807416 /nfs/dbraw/zinc/80/74/16/1199807416.db2.gz PVBWQJMHXDPRAG-LVQVYYBASA-N 2 1 300.446 3.465 20 10 DGCDMP C[C@@H](CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)[NH+](C)C ZINC001203270797 1090711101 /nfs/dbraw/zinc/71/11/01/1090711101.db2.gz OSLPAIHATFDGKF-LBPRGKRZSA-N 2 1 317.399 3.201 20 10 DGCDMP Oc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001203551701 1090754615 /nfs/dbraw/zinc/75/46/15/1090754615.db2.gz KYFPMYVGDGCKSD-HOTGVXAUSA-N 2 1 314.454 3.018 20 10 DGCDMP COc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c(O)c1 ZINC001203629349 1090769108 /nfs/dbraw/zinc/76/91/08/1090769108.db2.gz XJRRMWQDHKLRJX-IRXDYDNUSA-N 2 1 318.461 3.240 20 10 DGCDMP COc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c(O)c1 ZINC001203629349 1090769112 /nfs/dbraw/zinc/76/91/12/1090769112.db2.gz XJRRMWQDHKLRJX-IRXDYDNUSA-N 2 1 318.461 3.240 20 10 DGCDMP COc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c(O)c1 ZINC001203629349 1090769116 /nfs/dbraw/zinc/76/91/16/1090769116.db2.gz XJRRMWQDHKLRJX-IRXDYDNUSA-N 2 1 318.461 3.240 20 10 DGCDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCCC4)cc3)C[C@@H]2C1 ZINC001204328531 1090950624 /nfs/dbraw/zinc/95/06/24/1090950624.db2.gz INJNHPMGRSGJQF-KDURUIRLSA-N 2 1 313.489 3.060 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]2C1 ZINC001204328531 1090950629 /nfs/dbraw/zinc/95/06/29/1090950629.db2.gz INJNHPMGRSGJQF-KDURUIRLSA-N 2 1 313.489 3.060 20 10 DGCDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]2C1 ZINC001204328531 1090950632 /nfs/dbraw/zinc/95/06/32/1090950632.db2.gz INJNHPMGRSGJQF-KDURUIRLSA-N 2 1 313.489 3.060 20 10 DGCDMP CC[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)C1CCCCC1 ZINC001204597988 1091004484 /nfs/dbraw/zinc/00/44/84/1091004484.db2.gz DZFHVFBEIRICBB-UHFFFAOYSA-N 2 1 304.434 3.029 20 10 DGCDMP Cc1c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c2ccccc2n1C ZINC001138258425 1091127752 /nfs/dbraw/zinc/12/77/52/1091127752.db2.gz SBAOIMBOWDBVTO-UHFFFAOYSA-N 2 1 311.473 3.404 20 10 DGCDMP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001205289610 1091167589 /nfs/dbraw/zinc/16/75/89/1091167589.db2.gz ZPHMLIFBIXUMSG-AWEZNQCLSA-N 2 1 302.340 3.114 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@H]1C[NH3+] ZINC001205296192 1091169612 /nfs/dbraw/zinc/16/96/12/1091169612.db2.gz IRBFHQLHAHWXCU-DOTOQJQBSA-N 2 1 311.473 3.323 20 10 DGCDMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccc3)c2O)C[C@@H]1C[NH3+] ZINC001205319350 1091184274 /nfs/dbraw/zinc/18/42/74/1091184274.db2.gz ZGMARCAKMSEVSN-YJBOKZPZSA-N 2 1 310.441 3.476 20 10 DGCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC001205570981 1091259067 /nfs/dbraw/zinc/25/90/67/1091259067.db2.gz RCQBVUIHCQXXIX-SFHVURJKSA-N 2 1 302.393 3.198 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Cl ZINC001205571783 1091260240 /nfs/dbraw/zinc/26/02/40/1091260240.db2.gz XQWXKKGIXQRXCZ-OAHLLOKOSA-N 2 1 300.805 3.007 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2Cl)CCC[C@@H]1C[NH3+] ZINC001206005651 1091445330 /nfs/dbraw/zinc/44/53/30/1091445330.db2.gz YXXUAPOUWMTZLR-ZIAGYGMSSA-N 2 1 309.885 3.213 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c(O)c1 ZINC001206003470 1091446679 /nfs/dbraw/zinc/44/66/79/1091446679.db2.gz IIGJHMLRQWHGEH-CVEARBPZSA-N 2 1 319.493 3.045 20 10 DGCDMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2O)CCC[C@@H]1C[NH3+] ZINC001206025414 1091457525 /nfs/dbraw/zinc/45/75/25/1091457525.db2.gz NWIHWQLIGWCXSJ-VXGBXAGGSA-N 2 1 316.367 3.218 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c(O)c1 ZINC001206311820 1091573074 /nfs/dbraw/zinc/57/30/74/1091573074.db2.gz VKPKUZNKGWBKBQ-IBGZPJMESA-N 2 1 319.493 3.189 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(OC)c1 ZINC001206769776 1091732922 /nfs/dbraw/zinc/73/29/22/1091732922.db2.gz QGFPXQXBFULJOR-HZPDHXFCSA-N 2 1 319.493 3.101 20 10 DGCDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(F)ccc1O ZINC001140058507 1091752671 /nfs/dbraw/zinc/75/26/71/1091752671.db2.gz DJQMZJFNOAMCIB-IRXDYDNUSA-N 2 1 306.425 3.370 20 10 DGCDMP CCCCC[N@@H+](C)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140299600 1091818166 /nfs/dbraw/zinc/81/81/66/1091818166.db2.gz BIXAOXWJZJFWRA-UHFFFAOYSA-N 2 1 303.494 3.451 20 10 DGCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(CF)C3)cc2)CC1 ZINC001140302646 1091819986 /nfs/dbraw/zinc/81/99/86/1091819986.db2.gz WTELZVKYNLLVMM-LJQANCHMSA-N 2 1 319.468 3.010 20 10 DGCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143111881 1092616609 /nfs/dbraw/zinc/61/66/09/1092616609.db2.gz HJIWCTRVPLPZIC-LJQANCHMSA-N 2 1 302.462 3.217 20 10 DGCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143111881 1092616610 /nfs/dbraw/zinc/61/66/10/1092616610.db2.gz HJIWCTRVPLPZIC-LJQANCHMSA-N 2 1 302.462 3.217 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC001209517189 1092805943 /nfs/dbraw/zinc/80/59/43/1092805943.db2.gz AEZNIUZYHCRQAS-KDURUIRLSA-N 2 1 309.457 3.088 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC001209517189 1092805948 /nfs/dbraw/zinc/80/59/48/1092805948.db2.gz AEZNIUZYHCRQAS-KDURUIRLSA-N 2 1 309.457 3.088 20 10 DGCDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC001209517189 1092805952 /nfs/dbraw/zinc/80/59/52/1092805952.db2.gz AEZNIUZYHCRQAS-KDURUIRLSA-N 2 1 309.457 3.088 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000316871786 1095198279 /nfs/dbraw/zinc/19/82/79/1095198279.db2.gz WNZLDZRJAGAMAG-WCVJEAGWSA-N 2 1 300.446 3.465 20 10 DGCDMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(N3CCCC3)cc2)CC1 ZINC001338881287 1095422903 /nfs/dbraw/zinc/42/29/03/1095422903.db2.gz KNQRCEOBPDDDPC-UHFFFAOYSA-N 2 1 313.489 3.347 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222244076 1095507987 /nfs/dbraw/zinc/50/79/87/1095507987.db2.gz SONIADIVNUZOLG-FQEVSTJZSA-N 2 1 313.489 3.395 20 10 DGCDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222244076 1095507994 /nfs/dbraw/zinc/50/79/94/1095507994.db2.gz SONIADIVNUZOLG-FQEVSTJZSA-N 2 1 313.489 3.395 20 10 DGCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(C)C ZINC001116437253 1095551561 /nfs/dbraw/zinc/55/15/61/1095551561.db2.gz VFYOUCDCKLHTGZ-UHFFFAOYSA-N 2 1 307.457 3.055 20 10 DGCDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(C)C ZINC001116437253 1095551567 /nfs/dbraw/zinc/55/15/67/1095551567.db2.gz VFYOUCDCKLHTGZ-UHFFFAOYSA-N 2 1 307.457 3.055 20 10 DGCDMP c1cc(N2CCCC2)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001118016081 1095922435 /nfs/dbraw/zinc/92/24/35/1095922435.db2.gz TURIBAFLHHTUCO-AZUAARDMSA-N 2 1 313.489 3.251 20 10 DGCDMP CN(C)c1ccc(/C=C\C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001118243724 1095967408 /nfs/dbraw/zinc/96/74/08/1095967408.db2.gz ZPDQGLXQTJBOSF-HYXAFXHYSA-N 2 1 313.489 3.231 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172127753 1097048153 /nfs/dbraw/zinc/04/81/53/1097048153.db2.gz KEJDTJPOFKHQKZ-REPLKXPHSA-N 2 1 301.478 3.200 20 10 DGCDMP CN(C)c1ccc(C[N@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172127753 1097048158 /nfs/dbraw/zinc/04/81/58/1097048158.db2.gz KEJDTJPOFKHQKZ-REPLKXPHSA-N 2 1 301.478 3.200 20 10 DGCDMP CN(C)c1ccc(C[N@@H+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172127753 1097048164 /nfs/dbraw/zinc/04/81/64/1097048164.db2.gz KEJDTJPOFKHQKZ-REPLKXPHSA-N 2 1 301.478 3.200 20 10 DGCDMP CN(C)c1ccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172127753 1097048167 /nfs/dbraw/zinc/04/81/67/1097048167.db2.gz KEJDTJPOFKHQKZ-REPLKXPHSA-N 2 1 301.478 3.200 20 10 DGCDMP CN(C)c1ccc(C[NH+](C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172127753 1097048172 /nfs/dbraw/zinc/04/81/72/1097048172.db2.gz KEJDTJPOFKHQKZ-REPLKXPHSA-N 2 1 301.478 3.200 20 10 DGCDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001172102928 1097052165 /nfs/dbraw/zinc/05/21/65/1097052165.db2.gz QWVLYTPQLYUURF-FNLKRUPLSA-N 2 1 313.489 3.392 20 10 DGCDMP Cc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)ccc1N(C)C ZINC001176280734 1098298455 /nfs/dbraw/zinc/29/84/55/1098298455.db2.gz DXBONMRPYODMPN-QGZVFWFLSA-N 2 1 324.472 3.167 20 10 DGCDMP CN(C)c1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c2ccccc21 ZINC001235111109 1098809297 /nfs/dbraw/zinc/80/92/97/1098809297.db2.gz OUSVBXHVTQBQMK-FQEVSTJZSA-N 2 1 309.457 3.234 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)c2ccccc21 ZINC001235111109 1098809310 /nfs/dbraw/zinc/80/93/10/1098809310.db2.gz OUSVBXHVTQBQMK-FQEVSTJZSA-N 2 1 309.457 3.234 20 10 DGCDMP [O-]c1ccc(Cl)c(Cl)c1CN1CCCC12CC[NH2+]CC2 ZINC001235143949 1098832980 /nfs/dbraw/zinc/83/29/80/1098832980.db2.gz HFWJGBOXUMIKGX-UHFFFAOYSA-N 2 1 315.244 3.417 20 10 DGCDMP Cc1cc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)ccc1N(C)C ZINC001235167491 1098848550 /nfs/dbraw/zinc/84/85/50/1098848550.db2.gz JVNHCSGBNOLVBP-LJQANCHMSA-N 2 1 301.478 3.169 20 10 DGCDMP Cc1cc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)ccc1N(C)C ZINC001235167491 1098848561 /nfs/dbraw/zinc/84/85/61/1098848561.db2.gz JVNHCSGBNOLVBP-LJQANCHMSA-N 2 1 301.478 3.169 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c2ccccc21 ZINC001235270904 1098939188 /nfs/dbraw/zinc/93/91/88/1098939188.db2.gz NTBUSHNVBBLLEZ-QFBILLFUSA-N 2 1 309.457 3.090 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1N(C)C ZINC001235421687 1099012780 /nfs/dbraw/zinc/01/27/80/1099012780.db2.gz BXSRGNLZTFLFSK-MOPGFXCFSA-N 2 1 315.505 3.273 20 10 DGCDMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(O)c1 ZINC001235426376 1099018941 /nfs/dbraw/zinc/01/89/41/1099018941.db2.gz KQGZKXIHJILPPY-SJORKVTESA-N 2 1 302.462 3.221 20 10 DGCDMP CN1CCC[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3O)C[C@@H]21 ZINC001235678081 1099119919 /nfs/dbraw/zinc/11/99/19/1099119919.db2.gz ADYPRGVBONWUPI-PBHICJAKSA-N 2 1 302.462 3.216 20 10 DGCDMP Cc1ccc(CC[N@H+](C)Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001235839957 1099203402 /nfs/dbraw/zinc/20/34/02/1099203402.db2.gz DLRQOZJSEGXGFZ-UHFFFAOYSA-N 2 1 323.484 3.079 20 10 DGCDMP C[N@H+](Cc1ccc2c(c1O)C=CC(C)(C)O2)C[C@@H]1CCC[NH2+]C1 ZINC001235960533 1099293414 /nfs/dbraw/zinc/29/34/14/1099293414.db2.gz YVAMVPQZHTUOGB-CQSZACIVSA-N 2 1 316.445 3.008 20 10 DGCDMP Cc1ccc(O)c(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235973729 1099304696 /nfs/dbraw/zinc/30/46/96/1099304696.db2.gz ONIKTZQTUPCYAK-UHFFFAOYSA-N 2 1 322.452 3.338 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+](C)C2(C)CC[NH2+]CC2)c(OC)c1 ZINC001236226466 1099483543 /nfs/dbraw/zinc/48/35/43/1099483543.db2.gz LXZWMCRVMYIKQL-UHFFFAOYSA-N 2 1 319.493 3.115 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c(OC)c1 ZINC001236226466 1099483546 /nfs/dbraw/zinc/48/35/46/1099483546.db2.gz LXZWMCRVMYIKQL-UHFFFAOYSA-N 2 1 319.493 3.115 20 10 DGCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)CC1CCCC1 ZINC001236942399 1099882869 /nfs/dbraw/zinc/88/28/69/1099882869.db2.gz JHHNPYPTTXWPCW-UHFFFAOYSA-N 2 1 319.468 3.200 20 10 DGCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)c2ccccc21 ZINC001237384421 1100103600 /nfs/dbraw/zinc/10/36/00/1100103600.db2.gz WRJGEBHPUWNRHG-FXAWDEMLSA-N 2 1 323.484 3.480 20 10 DGCDMP Cc1cccc(O)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001237488493 1100141104 /nfs/dbraw/zinc/14/11/04/1100141104.db2.gz ZBHSZYCPLGVKMK-KDURUIRLSA-N 2 1 322.452 3.264 20 10 DGCDMP C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325620438 1103083665 /nfs/dbraw/zinc/08/36/65/1103083665.db2.gz YAWFIGRMACCECG-HNNXBMFYSA-N 2 1 319.468 3.246 20 10 DGCDMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc3ccccc3c1O)CC2 ZINC001276374032 1103696022 /nfs/dbraw/zinc/69/60/22/1103696022.db2.gz PLIVHSMNJBXOAF-UHFFFAOYSA-N 2 1 310.441 3.463 20 10 DGCDMP C[N@H+]1CCCC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)C1 ZINC001275217409 1104681044 /nfs/dbraw/zinc/68/10/44/1104681044.db2.gz MFKVBKQUQOAMPO-UHFFFAOYSA-N 2 1 308.853 3.353 20 10 DGCDMP CCCC[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246902302 1104728079 /nfs/dbraw/zinc/72/80/79/1104728079.db2.gz RBNMWMLQLUHKLB-HKUYNNGSSA-N 2 1 303.494 3.495 20 10 DGCDMP Cc1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)ccc1N(C)C ZINC001275360700 1104736582 /nfs/dbraw/zinc/73/65/82/1104736582.db2.gz HHAWHTYDILOTGQ-HXUWFJFHSA-N 2 1 315.505 3.369 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC001275833167 1104926071 /nfs/dbraw/zinc/92/60/71/1104926071.db2.gz ANKVAMZUSNPQKD-HXUWFJFHSA-N 2 1 315.505 3.451 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001275833167 1104926074 /nfs/dbraw/zinc/92/60/74/1104926074.db2.gz ANKVAMZUSNPQKD-HXUWFJFHSA-N 2 1 315.505 3.451 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001275833167 1104926079 /nfs/dbraw/zinc/92/60/79/1104926079.db2.gz ANKVAMZUSNPQKD-HXUWFJFHSA-N 2 1 315.505 3.451 20 10 DGCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c(Cl)c1 ZINC001276155453 1105032746 /nfs/dbraw/zinc/03/27/46/1105032746.db2.gz ICEHQPHSSBHQQE-GASCZTMLSA-N 2 1 321.896 3.180 20 10 DGCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(Cl)c1 ZINC001276155453 1105032752 /nfs/dbraw/zinc/03/27/52/1105032752.db2.gz ICEHQPHSSBHQQE-GASCZTMLSA-N 2 1 321.896 3.180 20 10 DGCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(Cl)c1 ZINC001276155453 1105032757 /nfs/dbraw/zinc/03/27/57/1105032757.db2.gz ICEHQPHSSBHQQE-GASCZTMLSA-N 2 1 321.896 3.180 20 10 DGCDMP C[C@@H]1CCCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320537998 1107045319 /nfs/dbraw/zinc/04/53/19/1107045319.db2.gz NQSYXSVSZUFNCG-MRXNPFEDSA-N 2 1 319.468 3.200 20 10 DGCDMP C[C@@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001320537998 1107045332 /nfs/dbraw/zinc/04/53/32/1107045332.db2.gz NQSYXSVSZUFNCG-MRXNPFEDSA-N 2 1 319.468 3.200 20 10 DGCDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001320905420 1107184409 /nfs/dbraw/zinc/18/44/09/1107184409.db2.gz HWNUVBKJSFLIBH-SFHVURJKSA-N 2 1 301.478 3.203 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1F ZINC001308553125 1111443239 /nfs/dbraw/zinc/44/32/39/1111443239.db2.gz HETCWGRLVYBSND-SOLBZPMBSA-N 2 1 319.468 3.102 20 10 DGCDMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000273387052 130116252 /nfs/dbraw/zinc/11/62/52/130116252.db2.gz JTQCQEQAWYXPEX-AWEZNQCLSA-N 2 1 302.462 3.406 20 10 DGCDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000296954250 277392391 /nfs/dbraw/zinc/39/23/91/277392391.db2.gz QWOXWCUVQFUNJB-DOTOQJQBSA-N 2 1 302.462 3.337 20 10 DGCDMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000119685722 431712145 /nfs/dbraw/zinc/71/21/45/431712145.db2.gz PCMBERQPANZTSO-IBGZPJMESA-N 2 1 301.478 3.420 20 10 DGCDMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000185206505 432477154 /nfs/dbraw/zinc/47/71/54/432477154.db2.gz JIRXXPYDRIDXPU-ZNMIVQPWSA-N 2 1 324.440 3.071 20 10 DGCDMP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O ZINC000185206505 432477158 /nfs/dbraw/zinc/47/71/58/432477158.db2.gz JIRXXPYDRIDXPU-ZNMIVQPWSA-N 2 1 324.440 3.071 20 10 DGCDMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000193583373 432483695 /nfs/dbraw/zinc/48/36/95/432483695.db2.gz SGDYCTPVJQTVBZ-UHFFFAOYSA-N 2 1 314.477 3.424 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000193583373 432483699 /nfs/dbraw/zinc/48/36/99/432483699.db2.gz SGDYCTPVJQTVBZ-UHFFFAOYSA-N 2 1 314.477 3.424 20 10 DGCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000193583373 432483704 /nfs/dbraw/zinc/48/37/04/432483704.db2.gz SGDYCTPVJQTVBZ-UHFFFAOYSA-N 2 1 314.477 3.424 20 10 DGCDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cn1 ZINC000185084159 432463757 /nfs/dbraw/zinc/46/37/57/432463757.db2.gz LBLCQZVKUQOQHI-AWEZNQCLSA-N 2 1 322.412 3.441 20 10 DGCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1F ZINC000841100818 620450817 /nfs/dbraw/zinc/45/08/17/620450817.db2.gz KXAPIIJVYUAAKJ-HOCLYGCPSA-N 2 1 307.457 3.089 20 10 DGCDMP c1cc2c(cc1C[NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCCO2 ZINC000922268368 621015368 /nfs/dbraw/zinc/01/53/68/621015368.db2.gz FCNKFSIOFDZRMF-GOSISDBHSA-N 2 1 314.473 3.223 20 10 DGCDMP CN1CCCc2cc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)ccc21 ZINC000858116010 621154312 /nfs/dbraw/zinc/15/43/12/621154312.db2.gz HYLPOEDJLYBVCO-QGZVFWFLSA-N 2 1 301.478 3.031 20 10 DGCDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000858245034 621167645 /nfs/dbraw/zinc/16/76/45/621167645.db2.gz BADONDJGYYXMJF-LLVKDONJSA-N 2 1 300.805 3.006 20 10 DGCDMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1N(C)C ZINC000923365138 621179018 /nfs/dbraw/zinc/17/90/18/621179018.db2.gz UALFGMBVYOKIOP-PKOBYXMFSA-N 2 1 301.478 3.025 20 10 DGCDMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[C@H]1C(F)(F)F ZINC000863646021 621693458 /nfs/dbraw/zinc/69/34/58/621693458.db2.gz FTUBLRIYCZKJLP-ZYHUDNBSSA-N 2 1 322.758 3.005 20 10 DGCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC[C@H]1C(F)(F)F ZINC000863646021 621693460 /nfs/dbraw/zinc/69/34/60/621693460.db2.gz FTUBLRIYCZKJLP-ZYHUDNBSSA-N 2 1 322.758 3.005 20 10 DGCDMP C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000757892323 621745294 /nfs/dbraw/zinc/74/52/94/621745294.db2.gz RPGJZQQFAGZEAJ-QGZVFWFLSA-N 2 1 324.472 3.026 20 10 DGCDMP C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000763646144 622156720 /nfs/dbraw/zinc/15/67/20/622156720.db2.gz JDQUYBFLKUTLNT-KRWDZBQOSA-N 2 1 313.489 3.203 20 10 DGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000764966001 622236803 /nfs/dbraw/zinc/23/68/03/622236803.db2.gz WXRFIIRMTLKWMR-IPELMVKDSA-N 2 1 301.478 3.420 20 10 DGCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000764966001 622236804 /nfs/dbraw/zinc/23/68/04/622236804.db2.gz WXRFIIRMTLKWMR-IPELMVKDSA-N 2 1 301.478 3.420 20 10 DGCDMP CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1O ZINC000769470052 622531108 /nfs/dbraw/zinc/53/11/08/622531108.db2.gz JIDRSGLZVGVYHW-HOCLYGCPSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1O ZINC000769470052 622531109 /nfs/dbraw/zinc/53/11/09/622531109.db2.gz JIDRSGLZVGVYHW-HOCLYGCPSA-N 2 1 306.450 3.096 20 10 DGCDMP CCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1O ZINC000769470052 622531110 /nfs/dbraw/zinc/53/11/10/622531110.db2.gz JIDRSGLZVGVYHW-HOCLYGCPSA-N 2 1 306.450 3.096 20 10 DGCDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000769488803 622533500 /nfs/dbraw/zinc/53/35/00/622533500.db2.gz ZOUALUIBYYBDRT-YOEHRIQHSA-N 2 1 307.457 3.054 20 10 DGCDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000769488803 622533503 /nfs/dbraw/zinc/53/35/03/622533503.db2.gz ZOUALUIBYYBDRT-YOEHRIQHSA-N 2 1 307.457 3.054 20 10 DGCDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000769488803 622533506 /nfs/dbraw/zinc/53/35/06/622533506.db2.gz ZOUALUIBYYBDRT-YOEHRIQHSA-N 2 1 307.457 3.054 20 10 DGCDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000769513594 622536554 /nfs/dbraw/zinc/53/65/54/622536554.db2.gz CHKFYKNUQXBQAW-CQSZACIVSA-N 2 1 308.853 3.209 20 10 DGCDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000769513594 622536557 /nfs/dbraw/zinc/53/65/57/622536557.db2.gz CHKFYKNUQXBQAW-CQSZACIVSA-N 2 1 308.853 3.209 20 10 DGCDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769513594 622536558 /nfs/dbraw/zinc/53/65/58/622536558.db2.gz CHKFYKNUQXBQAW-CQSZACIVSA-N 2 1 308.853 3.209 20 10 DGCDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000769513594 622536562 /nfs/dbraw/zinc/53/65/62/622536562.db2.gz CHKFYKNUQXBQAW-CQSZACIVSA-N 2 1 308.853 3.209 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1C(C)C ZINC000872725334 622960330 /nfs/dbraw/zinc/96/03/30/622960330.db2.gz RSLOWICQZYQYLT-CRAIPNDOSA-N 2 1 302.462 3.350 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1C(C)C ZINC000872725334 622960335 /nfs/dbraw/zinc/96/03/35/622960335.db2.gz RSLOWICQZYQYLT-CRAIPNDOSA-N 2 1 302.462 3.350 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1C(C)C ZINC000872725334 622960342 /nfs/dbraw/zinc/96/03/42/622960342.db2.gz RSLOWICQZYQYLT-CRAIPNDOSA-N 2 1 302.462 3.350 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1C(C)C ZINC000872725337 622960715 /nfs/dbraw/zinc/96/07/15/622960715.db2.gz RSLOWICQZYQYLT-YJBOKZPZSA-N 2 1 302.462 3.350 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1C(C)C ZINC000872725337 622960717 /nfs/dbraw/zinc/96/07/17/622960717.db2.gz RSLOWICQZYQYLT-YJBOKZPZSA-N 2 1 302.462 3.350 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1C(C)C ZINC000872725337 622960722 /nfs/dbraw/zinc/96/07/22/622960722.db2.gz RSLOWICQZYQYLT-YJBOKZPZSA-N 2 1 302.462 3.350 20 10 DGCDMP CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000873012211 623017115 /nfs/dbraw/zinc/01/71/15/623017115.db2.gz DHZPPOSNTHMXTK-KRWDZBQOSA-N 2 1 302.462 3.358 20 10 DGCDMP CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775652576 623304611 /nfs/dbraw/zinc/30/46/11/623304611.db2.gz NFRIEHWVLJZWLI-IBGZPJMESA-N 2 1 301.478 3.059 20 10 DGCDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000775669175 623309998 /nfs/dbraw/zinc/30/99/98/623309998.db2.gz TVXKLQOKJXQTTE-IRXDYDNUSA-N 2 1 301.478 3.059 20 10 DGCDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877525186 623923407 /nfs/dbraw/zinc/92/34/07/623923407.db2.gz UIAMYFMEIATZKM-UHFFFAOYSA-N 2 1 320.383 3.364 20 10 DGCDMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(N2CCCCC2)cc1 ZINC000788257781 625105788 /nfs/dbraw/zinc/10/57/88/625105788.db2.gz QIQZAIQBCFBNBC-INIZCTEOSA-N 2 1 312.461 3.304 20 10 DGCDMP CC[NH+]1CCC(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790959078 625723444 /nfs/dbraw/zinc/72/34/44/625723444.db2.gz DUYUBEIZIJORKH-UHFFFAOYSA-N 2 1 300.805 3.006 20 10 DGCDMP Cc1cc(Br)c(O)c(C[NH2+]CCCCCC[NH3+])c1 ZINC000843127801 626718400 /nfs/dbraw/zinc/71/84/00/626718400.db2.gz QSDZVIDKXFZRBH-UHFFFAOYSA-N 2 1 315.255 3.072 20 10 DGCDMP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1c(O)cccc1F ZINC000886548266 627160809 /nfs/dbraw/zinc/16/08/09/627160809.db2.gz ZTWKNQGPTHKFPL-KFWWJZLASA-N 2 1 324.440 3.071 20 10 DGCDMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Cl)c(Cl)cc1O ZINC000817946573 627970772 /nfs/dbraw/zinc/97/07/72/627970772.db2.gz ZWSKCESMLDWQRJ-UWVGGRQHSA-N 2 1 303.233 3.349 20 10 DGCDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817948099 627971334 /nfs/dbraw/zinc/97/13/34/627971334.db2.gz VETXXUYJDWRKRF-SDDRHHMPSA-N 2 1 316.367 3.450 20 10 DGCDMP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817954827 627973677 /nfs/dbraw/zinc/97/36/77/627973677.db2.gz KVMUXBJIKFOINV-QWRGUYRKSA-N 2 1 302.340 3.061 20 10 DGCDMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817964595 627976882 /nfs/dbraw/zinc/97/68/82/627976882.db2.gz FNHQOAHHWDGMKF-CQSZACIVSA-N 2 1 305.441 3.348 20 10 DGCDMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817965610 627977785 /nfs/dbraw/zinc/97/77/85/627977785.db2.gz SCYGDSOZGTYXLM-CXAGYDPISA-N 2 1 305.441 3.204 20 10 DGCDMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817965614 627977953 /nfs/dbraw/zinc/97/79/53/627977953.db2.gz SCYGDSOZGTYXLM-SUMWQHHRSA-N 2 1 305.441 3.204 20 10 DGCDMP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(C(F)(F)F)c1O ZINC000817976523 627981154 /nfs/dbraw/zinc/98/11/54/627981154.db2.gz NAQIJCQFDSMEIO-ZWNOBZJWSA-N 2 1 314.351 3.204 20 10 DGCDMP Cc1cc(Cl)cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1O ZINC000818431971 628022142 /nfs/dbraw/zinc/02/21/42/628022142.db2.gz YOSJBJMTJICLGU-ZDUSSCGKSA-N 2 1 308.853 3.318 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(Cl)c1 ZINC000818431811 628022635 /nfs/dbraw/zinc/02/26/35/628022635.db2.gz UDGXJCXKDIPMBO-CYBMUJFWSA-N 2 1 308.853 3.318 20 10 DGCDMP C[C@H]1CC2(C[N@H+]1C/C=C\c1ccc(N(C)C)cc1)CC[NH2+]CC2 ZINC000818431711 628022653 /nfs/dbraw/zinc/02/26/53/628022653.db2.gz RIHCJXNPGNPKAD-CHYADLBTSA-N 2 1 313.489 3.230 20 10 DGCDMP CCc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000827951103 629006873 /nfs/dbraw/zinc/00/68/73/629006873.db2.gz WLLSHAROKCGFMC-INIZCTEOSA-N 2 1 302.462 3.166 20 10 DGCDMP CN(C)c1ccc(/C=C\CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000835053138 629837865 /nfs/dbraw/zinc/83/78/65/629837865.db2.gz KUDHNRZZTGNBMC-HDJSNOHJSA-N 2 1 313.489 3.323 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000835053138 629837875 /nfs/dbraw/zinc/83/78/75/629837875.db2.gz KUDHNRZZTGNBMC-HDJSNOHJSA-N 2 1 313.489 3.323 20 10 DGCDMP CN(C)c1ccc(/C=C\C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000835053138 629837877 /nfs/dbraw/zinc/83/78/77/629837877.db2.gz KUDHNRZZTGNBMC-HDJSNOHJSA-N 2 1 313.489 3.323 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000840895492 630374551 /nfs/dbraw/zinc/37/45/51/630374551.db2.gz YUQZXTAIXZYMOS-HQRMLTQVSA-N 2 1 315.505 3.208 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(Cl)c1 ZINC000840920403 630378874 /nfs/dbraw/zinc/37/88/74/630378874.db2.gz GPUNFPSDPNUNJO-CJNGLKHVSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000840920403 630378876 /nfs/dbraw/zinc/37/88/76/630378876.db2.gz GPUNFPSDPNUNJO-CJNGLKHVSA-N 2 1 308.853 3.270 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(Cl)c1 ZINC000840920403 630378879 /nfs/dbraw/zinc/37/88/79/630378879.db2.gz GPUNFPSDPNUNJO-CJNGLKHVSA-N 2 1 308.853 3.270 20 10 DGCDMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000841028604 630398486 /nfs/dbraw/zinc/39/84/86/630398486.db2.gz FKQHMDPNWPMDEE-JTQLQIEISA-N 2 1 308.784 3.494 20 10 DGCDMP CN(C)c1ccc(/C=C/C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000841039400 630400336 /nfs/dbraw/zinc/40/03/36/630400336.db2.gz NLVOZRPHMKQYNE-OVKVCFKUSA-N 2 1 301.478 3.263 20 10 DGCDMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)[C@H](c2ccccc2)C1 ZINC000842763614 630573386 /nfs/dbraw/zinc/57/33/86/630573386.db2.gz AFZCLPKXTNAONW-UXHICEINSA-N 2 1 322.452 3.057 20 10 DGCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843043926 630607903 /nfs/dbraw/zinc/60/79/03/630607903.db2.gz DCBWPCBMTLGFBX-IEBWSBKVSA-N 2 1 301.478 3.025 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000843046892 630608405 /nfs/dbraw/zinc/60/84/05/630608405.db2.gz HURQLFHWPVYGQO-SJPCQFCGSA-N 2 1 319.468 3.387 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843046655 630608515 /nfs/dbraw/zinc/60/85/15/630608515.db2.gz YAUCBILNYDGJSE-CQSZACIVSA-N 2 1 312.816 3.149 20 10 DGCDMP CCN(CC)c1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000843054227 630609062 /nfs/dbraw/zinc/60/90/62/630609062.db2.gz HBBACJTXZQMJKP-UHFFFAOYSA-N 2 1 315.505 3.497 20 10 DGCDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]21 ZINC000843058026 630609778 /nfs/dbraw/zinc/60/97/78/630609778.db2.gz LMVDYHYGRKWAIU-DFQSSKMNSA-N 2 1 313.489 3.236 20 10 DGCDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843112573 630615165 /nfs/dbraw/zinc/61/51/65/630615165.db2.gz HVNHKEGGMFDGPB-KRWDZBQOSA-N 2 1 301.478 3.238 20 10 DGCDMP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1O ZINC000843125242 630616402 /nfs/dbraw/zinc/61/64/02/630616402.db2.gz OXOOBJMCVOLCEY-KBPBESRZSA-N 2 1 308.853 3.176 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125281 630616533 /nfs/dbraw/zinc/61/65/33/630616533.db2.gz QRYGGMYOOSYJNT-RYUDHWBXSA-N 2 1 312.816 3.006 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125281 630616534 /nfs/dbraw/zinc/61/65/34/630616534.db2.gz QRYGGMYOOSYJNT-RYUDHWBXSA-N 2 1 312.816 3.006 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125280 630616673 /nfs/dbraw/zinc/61/66/73/630616673.db2.gz QRYGGMYOOSYJNT-NWDGAFQWSA-N 2 1 312.816 3.006 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125280 630616674 /nfs/dbraw/zinc/61/66/74/630616674.db2.gz QRYGGMYOOSYJNT-NWDGAFQWSA-N 2 1 312.816 3.006 20 10 DGCDMP Oc1ccc(Cl)c(F)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843127837 630617055 /nfs/dbraw/zinc/61/70/55/630617055.db2.gz TYLYTRKRFKRVOK-GFCCVEGCSA-N 2 1 312.816 3.006 20 10 DGCDMP CCN(CC)c1ccc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000844220678 630712706 /nfs/dbraw/zinc/71/27/06/630712706.db2.gz JLGYFPINFAURMF-QGZVFWFLSA-N 2 1 303.494 3.354 20 10 DGCDMP CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc(F)cc1O ZINC000844924644 630985750 /nfs/dbraw/zinc/98/57/50/630985750.db2.gz PGNVKRNHZNLCLR-KRWDZBQOSA-N 2 1 302.393 3.492 20 10 DGCDMP CCOc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1O ZINC000849350168 631900472 /nfs/dbraw/zinc/90/04/72/631900472.db2.gz LLKMFBZNPFWHRK-MRXNPFEDSA-N 2 1 318.461 3.003 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000073381016 660269923 /nfs/dbraw/zinc/26/99/23/660269923.db2.gz IZYKJIUBYWHLRC-UHFFFAOYSA-N 2 1 301.478 3.249 20 10 DGCDMP Cc1cc(O)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1C(C)C ZINC000793743189 661055266 /nfs/dbraw/zinc/05/52/66/661055266.db2.gz HTTUDJNKGCXELA-IBGZPJMESA-N 2 1 302.462 3.352 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1C(C)C ZINC000793743189 661055268 /nfs/dbraw/zinc/05/52/68/661055268.db2.gz HTTUDJNKGCXELA-IBGZPJMESA-N 2 1 302.462 3.352 20 10 DGCDMP Cc1cc(O)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1C(C)C ZINC000793743189 661055270 /nfs/dbraw/zinc/05/52/70/661055270.db2.gz HTTUDJNKGCXELA-IBGZPJMESA-N 2 1 302.462 3.352 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000314965849 656547164 /nfs/dbraw/zinc/54/71/64/656547164.db2.gz VKAHSVLNPXNYOD-GOSISDBHSA-N 2 1 303.494 3.353 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000246028671 662246218 /nfs/dbraw/zinc/24/62/18/662246218.db2.gz ABJHBJQANGVAIB-LPHOPBHVSA-N 2 1 303.494 3.353 20 10 DGCDMP COc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000248531605 662351716 /nfs/dbraw/zinc/35/17/16/662351716.db2.gz PBBMCDCJHNLBLE-LSDHHAIUSA-N 2 1 306.450 3.316 20 10 DGCDMP CCN(CC)c1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1F ZINC001577699754 1191913013 /nfs/dbraw/zinc/91/30/13/1191913013.db2.gz XAAWBVWGGOZCQD-QGZVFWFLSA-N 2 1 307.457 3.279 20 10 DGCDMP Oc1c(F)cc(F)cc1C[NH+]1CCC([C@H]2[NH2+]CC23CCC3)CC1 ZINC001580886111 1192044261 /nfs/dbraw/zinc/04/42/61/1192044261.db2.gz YFKQDFHWOMPFBD-QGZVFWFLSA-N 2 1 322.399 3.025 20 10 DGCDMP COc1cc(C)cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1O ZINC001333720065 1178659974 /nfs/dbraw/zinc/65/99/74/1178659974.db2.gz UKVZIEGLCBJFMU-UHFFFAOYSA-N 2 1 318.461 3.017 20 10 DGCDMP Cc1cc(O)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1C ZINC001335238720 1178877406 /nfs/dbraw/zinc/87/74/06/1178877406.db2.gz TZPTXAZMEZYFCB-XYJFISCASA-N 2 1 302.462 3.171 20 10 DGCDMP C[N@@H+](CCCC[NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001344439048 1179432895 /nfs/dbraw/zinc/43/28/95/1179432895.db2.gz RVBYMLSNEASTQI-UHFFFAOYSA-N 2 1 301.478 3.251 20 10 DGCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCCC3CC3)cc2F)CC1 ZINC001474237603 1183887120 /nfs/dbraw/zinc/88/71/20/1183887120.db2.gz UXLYCHRLCZMRPM-UHFFFAOYSA-N 2 1 319.468 3.247 20 10 DGCDMP CC(C)C[N@@H+](C)CCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001658230284 1196228660 /nfs/dbraw/zinc/22/86/60/1196228660.db2.gz XYUQDVUZUKRWFP-VURMDHGXSA-N 2 1 303.494 3.333 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000315573659 1199807571 /nfs/dbraw/zinc/80/75/71/1199807571.db2.gz PVBWQJMHXDPRAG-FXUDXRNXSA-N 2 1 300.446 3.465 20 10 DGCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000315573659 1199807585 /nfs/dbraw/zinc/80/75/85/1199807585.db2.gz PVBWQJMHXDPRAG-FXUDXRNXSA-N 2 1 300.446 3.465 20 10 DGCDMP