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](CN1CCC[C@@H](C)C1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001648914137 1082336202 /nfs/dbraw/zinc/33/62/02/1082336202.db2.gz PVUGWYILPCLHCI-NEPJUHHUSA-N 1 2 314.832 3.395 20 10 DGCDLO Cc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c(O)cc1Br ZINC001250116613 1083968532 /nfs/dbraw/zinc/96/85/32/1083968532.db2.gz DOYBTSBPVVTUEP-QWRGUYRKSA-N 1 2 314.223 3.072 20 10 DGCDLO C[C@@]1([NH3+])CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001205288337 1084088751 /nfs/dbraw/zinc/08/87/51/1084088751.db2.gz IVQRLNLSUQENJE-CQSZACIVSA-N 1 2 303.233 3.402 20 10 DGCDLO C[C@@]1([NH3+])CCC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001205288337 1084088757 /nfs/dbraw/zinc/08/87/57/1084088757.db2.gz IVQRLNLSUQENJE-CQSZACIVSA-N 1 2 303.233 3.402 20 10 DGCDLO COc1cccc(C[N@H+](C)Cc2cc(F)c(F)cc2O)c1OC ZINC001142527161 1087277980 /nfs/dbraw/zinc/27/79/80/1087277980.db2.gz MPSNURUAEBEWSE-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO COc1cccc(C[N@@H+](C)Cc2cc(F)c(F)cc2O)c1OC ZINC001142527161 1087277984 /nfs/dbraw/zinc/27/79/84/1087277984.db2.gz MPSNURUAEBEWSE-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO CCOc1ccc(N2CC[NH+](Cc3nc(C)cs3)CC2)cc1 ZINC001204381169 1088194392 /nfs/dbraw/zinc/19/43/92/1088194392.db2.gz XNIVHVWOPSDVEV-UHFFFAOYSA-N 1 2 317.458 3.172 20 10 DGCDLO COCC[N@@H+](Cc1cc(F)cc(Br)c1O)C(C)C ZINC001235302960 1088304465 /nfs/dbraw/zinc/30/44/65/1088304465.db2.gz XGVBBNFQWKYWOL-UHFFFAOYSA-N 1 2 320.202 3.151 20 10 DGCDLO COCC[N@H+](Cc1cc(F)cc(Br)c1O)C(C)C ZINC001235302960 1088304455 /nfs/dbraw/zinc/30/44/55/1088304455.db2.gz XGVBBNFQWKYWOL-UHFFFAOYSA-N 1 2 320.202 3.151 20 10 DGCDLO CCOC(=O)/C=C/c1ccc[nH+]c1NCc1cccc(C)c1O ZINC001160764697 1088947491 /nfs/dbraw/zinc/94/74/91/1088947491.db2.gz LIPWYYAYTWLWHH-MDZDMXLPSA-N 1 2 312.369 3.284 20 10 DGCDLO Cc1cc(CN2CCC(F)(F)[C@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC001206655736 1089119191 /nfs/dbraw/zinc/11/91/91/1089119191.db2.gz IEFWFOZHXNXWDB-QGZVFWFLSA-N 1 2 319.399 3.262 20 10 DGCDLO Oc1ccccc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001203561655 1090756530 /nfs/dbraw/zinc/75/65/30/1090756530.db2.gz XRLRTYHJLLEOQB-IEBWSBKVSA-N 1 2 308.425 3.099 20 10 DGCDLO Oc1ccccc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001203561655 1090756534 /nfs/dbraw/zinc/75/65/34/1090756534.db2.gz XRLRTYHJLLEOQB-IEBWSBKVSA-N 1 2 308.425 3.099 20 10 DGCDLO Oc1ccc(Br)cc1C[N@@H+]1CCc2ccncc2C1 ZINC001203645466 1090772590 /nfs/dbraw/zinc/77/25/90/1090772590.db2.gz KJELILHKJIRMDS-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1ccc(Br)cc1C[N@H+]1CCc2ccncc2C1 ZINC001203645466 1090772600 /nfs/dbraw/zinc/77/26/00/1090772600.db2.gz KJELILHKJIRMDS-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO C[N@H+](Cc1nc2ccccc2s1)Cc1ccc(O)c(O)c1 ZINC001203874916 1090825622 /nfs/dbraw/zinc/82/56/22/1090825622.db2.gz FBYIJUAXTUBHGB-UHFFFAOYSA-N 1 2 300.383 3.340 20 10 DGCDLO C[N@@H+](Cc1nc2ccccc2s1)Cc1ccc(O)c(O)c1 ZINC001203874916 1090825624 /nfs/dbraw/zinc/82/56/24/1090825624.db2.gz FBYIJUAXTUBHGB-UHFFFAOYSA-N 1 2 300.383 3.340 20 10 DGCDLO Oc1ccc(C[N@@H+]2Cc3cccc(Br)c3C2)c(O)c1 ZINC001204278687 1090939150 /nfs/dbraw/zinc/93/91/50/1090939150.db2.gz IGKZXTLITVPOPE-UHFFFAOYSA-N 1 2 320.186 3.376 20 10 DGCDLO Oc1ccc(C[N@H+]2Cc3cccc(Br)c3C2)c(O)c1 ZINC001204278687 1090939154 /nfs/dbraw/zinc/93/91/54/1090939154.db2.gz IGKZXTLITVPOPE-UHFFFAOYSA-N 1 2 320.186 3.376 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+]2CCC(=O)[C@H](F)CC2)c(OC)c1 ZINC001138386846 1091160914 /nfs/dbraw/zinc/16/09/14/1091160914.db2.gz XXUIQRKKTLTCNB-MRXNPFEDSA-N 1 2 322.424 3.044 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+]2CCC(=O)[C@H](F)CC2)c(OC)c1 ZINC001138386846 1091160920 /nfs/dbraw/zinc/16/09/20/1091160920.db2.gz XXUIQRKKTLTCNB-MRXNPFEDSA-N 1 2 322.424 3.044 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2c(O)cccc2F)c(OC)c1 ZINC001137838488 1091214956 /nfs/dbraw/zinc/21/49/56/1091214956.db2.gz BOGPPGHSJMEDNS-UHFFFAOYSA-N 1 2 305.349 3.181 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC001139101296 1091450342 /nfs/dbraw/zinc/45/03/42/1091450342.db2.gz RCDRWDPOCTVBKG-UHFFFAOYSA-N 1 2 324.428 3.085 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC001139101296 1091450346 /nfs/dbraw/zinc/45/03/46/1091450346.db2.gz RCDRWDPOCTVBKG-UHFFFAOYSA-N 1 2 324.428 3.085 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001139126592 1091457547 /nfs/dbraw/zinc/45/75/47/1091457547.db2.gz LRAPVGWJGGOVBT-KBPBESRZSA-N 1 2 313.397 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](F)CC1 ZINC001139126685 1091457564 /nfs/dbraw/zinc/45/75/64/1091457564.db2.gz MSSXJOGOMCNSHI-GFCCVEGCSA-N 1 2 305.349 3.131 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](F)CC1 ZINC001139126685 1091457567 /nfs/dbraw/zinc/45/75/67/1091457567.db2.gz MSSXJOGOMCNSHI-GFCCVEGCSA-N 1 2 305.349 3.131 20 10 DGCDLO Cc1ccc(C[N@@H+](C)Cc2c(O)ccc3c(C)cc(=O)oc32)cn1 ZINC001139129548 1091459330 /nfs/dbraw/zinc/45/93/30/1091459330.db2.gz AAAFCEZWNVWWDD-UHFFFAOYSA-N 1 2 324.380 3.142 20 10 DGCDLO Cc1ccc(C[N@H+](C)Cc2c(O)ccc3c(C)cc(=O)oc32)cn1 ZINC001139129548 1091459336 /nfs/dbraw/zinc/45/93/36/1091459336.db2.gz AAAFCEZWNVWWDD-UHFFFAOYSA-N 1 2 324.380 3.142 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](C)C[C@@H]1C ZINC001139129224 1091459446 /nfs/dbraw/zinc/45/94/46/1091459446.db2.gz RCNBVCZHEBUYLW-AAEUAGOBSA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC001139129224 1091459452 /nfs/dbraw/zinc/45/94/52/1091459452.db2.gz RCNBVCZHEBUYLW-AAEUAGOBSA-N 1 2 301.386 3.427 20 10 DGCDLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC001140103953 1091769506 /nfs/dbraw/zinc/76/95/06/1091769506.db2.gz VNQNGDRDGZVHDI-ZDUSSCGKSA-N 1 2 312.207 3.098 20 10 DGCDLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1Br ZINC001140103953 1091769514 /nfs/dbraw/zinc/76/95/14/1091769514.db2.gz VNQNGDRDGZVHDI-ZDUSSCGKSA-N 1 2 312.207 3.098 20 10 DGCDLO Oc1cccc(Cl)c1C[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001140341358 1091835841 /nfs/dbraw/zinc/83/58/41/1091835841.db2.gz JQWHTCMIFNGXCI-UHFFFAOYSA-N 1 2 307.752 3.448 20 10 DGCDLO Cc1ccc(C[NH+]2CCN(Cc3ccc(C)cc3O)CC2)cc1 ZINC001140950350 1092078067 /nfs/dbraw/zinc/07/80/67/1092078067.db2.gz ZBXLNOORFGXQPL-UHFFFAOYSA-N 1 2 310.441 3.327 20 10 DGCDLO Cc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c(O)c1 ZINC001140953817 1092079835 /nfs/dbraw/zinc/07/98/35/1092079835.db2.gz HDDMBMLUJBWNOL-KRWDZBQOSA-N 1 2 324.415 3.396 20 10 DGCDLO COc1cc(Cl)ncc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001141344850 1092212943 /nfs/dbraw/zinc/21/29/43/1092212943.db2.gz QKMMAAXHQNSMDH-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cc(Cl)ncc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001141344850 1092212955 /nfs/dbraw/zinc/21/29/55/1092212955.db2.gz QKMMAAXHQNSMDH-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO CC(C)(C)c1cccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)c1O ZINC001143112486 1092616216 /nfs/dbraw/zinc/61/62/16/1092616216.db2.gz SUTROUXROMEHBM-CYBMUJFWSA-N 1 2 317.351 3.453 20 10 DGCDLO CC(C)(C)c1cccc(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)c1O ZINC001143112486 1092616221 /nfs/dbraw/zinc/61/62/21/1092616221.db2.gz SUTROUXROMEHBM-CYBMUJFWSA-N 1 2 317.351 3.453 20 10 DGCDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000403837165 1094187268 /nfs/dbraw/zinc/18/72/68/1094187268.db2.gz CAEWWYBDAOAVNB-CABCVRRESA-N 1 2 309.381 3.123 20 10 DGCDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000403837165 1094187273 /nfs/dbraw/zinc/18/72/73/1094187273.db2.gz CAEWWYBDAOAVNB-CABCVRRESA-N 1 2 309.381 3.123 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@H](CC)CO1 ZINC000403837167 1094187532 /nfs/dbraw/zinc/18/75/32/1094187532.db2.gz CAEWWYBDAOAVNB-HUUCEWRRSA-N 1 2 309.381 3.123 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@H](CC)CO1 ZINC000403837167 1094187534 /nfs/dbraw/zinc/18/75/34/1094187534.db2.gz CAEWWYBDAOAVNB-HUUCEWRRSA-N 1 2 309.381 3.123 20 10 DGCDLO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001337262577 1094912320 /nfs/dbraw/zinc/91/23/20/1094912320.db2.gz LUGXKINFXLSXFM-SECBINFHSA-N 1 2 317.788 3.395 20 10 DGCDLO Oc1c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCC2)ccc(F)c1F ZINC001276856631 1095832202 /nfs/dbraw/zinc/83/22/02/1095832202.db2.gz FJUIDDKCKKMXTJ-GASCZTMLSA-N 1 2 322.399 3.262 20 10 DGCDLO Oc1c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)ccc(F)c1F ZINC001276856631 1095832215 /nfs/dbraw/zinc/83/22/15/1095832215.db2.gz FJUIDDKCKKMXTJ-GASCZTMLSA-N 1 2 322.399 3.262 20 10 DGCDLO C[N@H+](CCCC(=O)c1cccnc1)Cc1cccc(F)c1O ZINC001138128707 1095899455 /nfs/dbraw/zinc/89/94/55/1095899455.db2.gz VRHDOWGKUWUQII-UHFFFAOYSA-N 1 2 302.349 3.021 20 10 DGCDLO C[N@@H+](CCCC(=O)c1cccnc1)Cc1cccc(F)c1O ZINC001138128707 1095899472 /nfs/dbraw/zinc/89/94/72/1095899472.db2.gz VRHDOWGKUWUQII-UHFFFAOYSA-N 1 2 302.349 3.021 20 10 DGCDLO C[C@]1(c2ccc(F)cc2)C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC001138128724 1095900743 /nfs/dbraw/zinc/90/07/43/1095900743.db2.gz WKKYMPQDJGKBMW-GOSISDBHSA-N 1 2 319.351 3.418 20 10 DGCDLO COc1ccc(Br)c(C[N@H+]2C[C@@H](F)C[C@H]2C)c1O ZINC001231547854 1097777307 /nfs/dbraw/zinc/77/73/07/1097777307.db2.gz KMJISYDGKFBDJN-BDAKNGLRSA-N 1 2 318.186 3.096 20 10 DGCDLO COc1ccc(Br)c(C[N@@H+]2C[C@@H](F)C[C@H]2C)c1O ZINC001231547854 1097777303 /nfs/dbraw/zinc/77/73/03/1097777303.db2.gz KMJISYDGKFBDJN-BDAKNGLRSA-N 1 2 318.186 3.096 20 10 DGCDLO Oc1ccc2ccccc2c1CN1CC([NH+]2CCC(F)CC2)C1 ZINC001231590269 1097785352 /nfs/dbraw/zinc/78/53/52/1097785352.db2.gz PIPBRVUEMRXHDC-UHFFFAOYSA-N 1 2 314.404 3.164 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccncc3)C2)cc1Cl ZINC001231869952 1097870090 /nfs/dbraw/zinc/87/00/90/1097870090.db2.gz BVQNDPNBBKNLPA-KRWDZBQOSA-N 1 2 318.804 3.323 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCO[C@H](c3ccncc3)C2)cc1Cl ZINC001231869952 1097870095 /nfs/dbraw/zinc/87/00/95/1097870095.db2.gz BVQNDPNBBKNLPA-KRWDZBQOSA-N 1 2 318.804 3.323 20 10 DGCDLO CCc1noc(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC001231912694 1097889902 /nfs/dbraw/zinc/88/99/02/1097889902.db2.gz SJHLUTYKXBACRR-UHFFFAOYSA-N 1 2 321.808 3.371 20 10 DGCDLO O=C1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)[C@H]2CCCC[C@H]12 ZINC001232258637 1097983215 /nfs/dbraw/zinc/98/32/15/1097983215.db2.gz BPGGKLRPQITAJF-AAEUAGOBSA-N 1 2 309.793 3.085 20 10 DGCDLO O=C1CC[N@H+](Cc2cc(Cl)c(O)cc2O)[C@H]2CCCC[C@H]12 ZINC001232258637 1097983216 /nfs/dbraw/zinc/98/32/16/1097983216.db2.gz BPGGKLRPQITAJF-AAEUAGOBSA-N 1 2 309.793 3.085 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCc3ncc(C)cc3C2)cc1Cl ZINC001232270607 1097988172 /nfs/dbraw/zinc/98/81/72/1097988172.db2.gz HIHXWNFSHDWQNR-UHFFFAOYSA-N 1 2 318.804 3.316 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCc3ncc(C)cc3C2)cc1Cl ZINC001232270607 1097988178 /nfs/dbraw/zinc/98/81/78/1097988178.db2.gz HIHXWNFSHDWQNR-UHFFFAOYSA-N 1 2 318.804 3.316 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001233030771 1098206215 /nfs/dbraw/zinc/20/62/15/1098206215.db2.gz MXXQWEPCMDIDDB-OVYXKVPISA-N 1 2 318.161 3.226 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001233030771 1098206218 /nfs/dbraw/zinc/20/62/18/1098206218.db2.gz MXXQWEPCMDIDDB-OVYXKVPISA-N 1 2 318.161 3.226 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@H](OCc3ccccc3)C2)ccc(F)c1F ZINC001233077833 1098221170 /nfs/dbraw/zinc/22/11/70/1098221170.db2.gz ZGPWWZNGGSSKTA-HNNXBMFYSA-N 1 2 319.351 3.462 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@H](OCc3ccccc3)C2)ccc(F)c1F ZINC001233077833 1098221175 /nfs/dbraw/zinc/22/11/75/1098221175.db2.gz ZGPWWZNGGSSKTA-HNNXBMFYSA-N 1 2 319.351 3.462 20 10 DGCDLO C[N@@H+]1CCN(Cc2c(O)ccc(F)c2F)C[C@H]1c1ccccc1 ZINC001233334593 1098291949 /nfs/dbraw/zinc/29/19/49/1098291949.db2.gz MWHFRBQNCRKETC-INIZCTEOSA-N 1 2 318.367 3.159 20 10 DGCDLO C[N@H+]1CCN(Cc2c(O)ccc(F)c2F)C[C@H]1c1ccccc1 ZINC001233334593 1098291953 /nfs/dbraw/zinc/29/19/53/1098291953.db2.gz MWHFRBQNCRKETC-INIZCTEOSA-N 1 2 318.367 3.159 20 10 DGCDLO COc1cccc2c1CC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233335730 1098292777 /nfs/dbraw/zinc/29/27/77/1098292777.db2.gz IQSTXEPFBDWPQT-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1cccc2c1CC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233335730 1098292781 /nfs/dbraw/zinc/29/27/81/1098292781.db2.gz IQSTXEPFBDWPQT-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO C[N@H+](Cc1cccc(C(F)(F)F)c1O)[C@H]1CC[C@H](O)CC1 ZINC001233416707 1098322060 /nfs/dbraw/zinc/32/20/60/1098322060.db2.gz SFIOBEARKMWKQT-HAQNSBGRSA-N 1 2 303.324 3.146 20 10 DGCDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1O)[C@H]1CC[C@H](O)CC1 ZINC001233416707 1098322067 /nfs/dbraw/zinc/32/20/67/1098322067.db2.gz SFIOBEARKMWKQT-HAQNSBGRSA-N 1 2 303.324 3.146 20 10 DGCDLO COc1ccc2ccc(O)c(C[N@@H+]3CCCC(=O)[C@H](F)C3)c2c1 ZINC001234525264 1098581782 /nfs/dbraw/zinc/58/17/82/1098581782.db2.gz DBVMXOSSVMUFBN-MRXNPFEDSA-N 1 2 317.360 3.057 20 10 DGCDLO COc1ccc2ccc(O)c(C[N@H+]3CCCC(=O)[C@H](F)C3)c2c1 ZINC001234525264 1098581785 /nfs/dbraw/zinc/58/17/85/1098581785.db2.gz DBVMXOSSVMUFBN-MRXNPFEDSA-N 1 2 317.360 3.057 20 10 DGCDLO C[C@@]1(CF)CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235056974 1098779397 /nfs/dbraw/zinc/77/93/97/1098779397.db2.gz KTNGYRMZIODYRY-ZDUSSCGKSA-N 1 2 320.177 3.475 20 10 DGCDLO C[C@@]1(CF)CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235056974 1098779403 /nfs/dbraw/zinc/77/94/03/1098779403.db2.gz KTNGYRMZIODYRY-ZDUSSCGKSA-N 1 2 320.177 3.475 20 10 DGCDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001236790864 1099788171 /nfs/dbraw/zinc/78/81/71/1099788171.db2.gz WACGLCDUFXRBOM-AOOOYVTPSA-N 1 2 300.185 3.395 20 10 DGCDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001236790864 1099788177 /nfs/dbraw/zinc/78/81/77/1099788177.db2.gz WACGLCDUFXRBOM-AOOOYVTPSA-N 1 2 300.185 3.395 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCn3cccc3[C@@H]2C)c(Cl)c1 ZINC001236802843 1099798020 /nfs/dbraw/zinc/79/80/20/1099798020.db2.gz KVDNUNJRLMDRFJ-NSHDSACASA-N 1 2 306.793 3.433 20 10 DGCDLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237139027 1099989697 /nfs/dbraw/zinc/98/96/97/1099989697.db2.gz BMVUSGDUVFSNAX-CYBMUJFWSA-N 1 2 301.308 3.355 20 10 DGCDLO CC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237139027 1099989702 /nfs/dbraw/zinc/98/97/02/1099989702.db2.gz BMVUSGDUVFSNAX-CYBMUJFWSA-N 1 2 301.308 3.355 20 10 DGCDLO CCCC[NH+]1CCN(Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237812457 1100254902 /nfs/dbraw/zinc/25/49/02/1100254902.db2.gz GUASDUIVARRVPL-UHFFFAOYSA-N 1 2 300.805 3.102 20 10 DGCDLO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]21 ZINC001237815489 1100256191 /nfs/dbraw/zinc/25/61/91/1100256191.db2.gz YVAYRGHGGSWUEC-RIEGTJTDSA-N 1 2 313.800 3.432 20 10 DGCDLO CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]21 ZINC001237815489 1100256194 /nfs/dbraw/zinc/25/61/94/1100256194.db2.gz YVAYRGHGGSWUEC-RIEGTJTDSA-N 1 2 313.800 3.432 20 10 DGCDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001238064484 1100347433 /nfs/dbraw/zinc/34/74/33/1100347433.db2.gz CRZCKRMOWNLRSF-UHFFFAOYSA-N 1 2 315.344 3.142 20 10 DGCDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(F)cc(C)c1O)C2 ZINC001238064484 1100347440 /nfs/dbraw/zinc/34/74/40/1100347440.db2.gz CRZCKRMOWNLRSF-UHFFFAOYSA-N 1 2 315.344 3.142 20 10 DGCDLO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2c(C)noc2C)n1C ZINC001242105822 1101910455 /nfs/dbraw/zinc/91/04/55/1101910455.db2.gz YVUZUTNHJFGLCI-UHFFFAOYSA-N 1 2 313.357 3.330 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@](C)(C(F)F)C2)c1O ZINC001327963674 1103783922 /nfs/dbraw/zinc/78/39/22/1103783922.db2.gz LSFXGHRKELFMAT-CQSZACIVSA-N 1 2 305.752 3.210 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@](C)(C(F)F)C2)c1O ZINC001327963674 1103783929 /nfs/dbraw/zinc/78/39/29/1103783929.db2.gz LSFXGHRKELFMAT-CQSZACIVSA-N 1 2 305.752 3.210 20 10 DGCDLO C[C@]1(C[NH2+]Cc2cccc(Br)c2O)CC1(F)F ZINC000689213518 1103834314 /nfs/dbraw/zinc/83/43/14/1103834314.db2.gz VAYBQKFXCYYWLM-LLVKDONJSA-N 1 2 306.150 3.290 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCO[C@@](C)(C(F)F)C2)cc1Cl ZINC001330434201 1104552290 /nfs/dbraw/zinc/55/22/90/1104552290.db2.gz HQHSZXYXKGBBRI-CQSZACIVSA-N 1 2 305.752 3.210 20 10 DGCDLO Cc1cc(C[N@@H+]2CCCC(=O)CC2)c(O)cc1Br ZINC001250123825 1105447082 /nfs/dbraw/zinc/44/70/82/1105447082.db2.gz VIBXJAMJFRLHHC-UHFFFAOYSA-N 1 2 312.207 3.018 20 10 DGCDLO Cc1cc(C[N@H+]2CCCC(=O)CC2)c(O)cc1Br ZINC001250123825 1105447084 /nfs/dbraw/zinc/44/70/84/1105447084.db2.gz VIBXJAMJFRLHHC-UHFFFAOYSA-N 1 2 312.207 3.018 20 10 DGCDLO CSCc1n[nH]c(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)n1 ZINC001262077540 1107605222 /nfs/dbraw/zinc/60/52/22/1107605222.db2.gz GZFWGAJYIWFXNX-MNOVXSKESA-N 1 2 318.446 3.020 20 10 DGCDLO CSCc1nnc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)[nH]1 ZINC001262077540 1107605229 /nfs/dbraw/zinc/60/52/29/1107605229.db2.gz GZFWGAJYIWFXNX-MNOVXSKESA-N 1 2 318.446 3.020 20 10 DGCDLO C[C@H]1CCc2nc(C[NH2+]Cc3c(O)cccc3F)sc2C1 ZINC001262375370 1107704616 /nfs/dbraw/zinc/70/46/16/1107704616.db2.gz HLHHBMUNPPIFER-JTQLQIEISA-N 1 2 306.406 3.402 20 10 DGCDLO CN(C)c1cc(F)c(C[N@@H+]2CC(C)(C)OCC2(C)C)cc1F ZINC001308605250 1111450244 /nfs/dbraw/zinc/45/02/44/1111450244.db2.gz JSNUHJAWMISRDD-UHFFFAOYSA-N 1 2 312.404 3.420 20 10 DGCDLO CN(C)c1cc(F)c(C[N@H+]2CC(C)(C)OCC2(C)C)cc1F ZINC001308605250 1111450247 /nfs/dbraw/zinc/45/02/47/1111450247.db2.gz JSNUHJAWMISRDD-UHFFFAOYSA-N 1 2 312.404 3.420 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC001308791764 1111475599 /nfs/dbraw/zinc/47/55/99/1111475599.db2.gz HDONVROJVITEHY-JKSUJKDBSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC001308791764 1111475601 /nfs/dbraw/zinc/47/56/01/1111475601.db2.gz HDONVROJVITEHY-JKSUJKDBSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1cc(F)c(CC[NH2+]Cc2cccc(Cl)c2O)c(F)c1 ZINC001308950660 1111498637 /nfs/dbraw/zinc/49/86/37/1111498637.db2.gz SECBUQVNNIOPQE-UHFFFAOYSA-N 1 2 313.731 3.362 20 10 DGCDLO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179931883 432074871 /nfs/dbraw/zinc/07/48/71/432074871.db2.gz JQCAVNFELYHIHZ-CYBMUJFWSA-N 1 2 324.852 3.174 20 10 DGCDLO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179931883 432074873 /nfs/dbraw/zinc/07/48/73/432074873.db2.gz JQCAVNFELYHIHZ-CYBMUJFWSA-N 1 2 324.852 3.174 20 10 DGCDLO COCc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273299365 130104912 /nfs/dbraw/zinc/10/49/12/130104912.db2.gz AYJQQIGAMLNOAE-GFCCVEGCSA-N 1 2 316.357 3.298 20 10 DGCDLO Cc1[nH]ncc1C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000273515484 130131069 /nfs/dbraw/zinc/13/10/69/130131069.db2.gz SNAFOIGHPOVSJS-SECBINFHSA-N 1 2 310.195 3.037 20 10 DGCDLO CCC[C@](C)([NH2+]Cc1ccc(OC)c(COCC)c1)C(=O)OC ZINC000273914551 130186024 /nfs/dbraw/zinc/18/60/24/130186024.db2.gz YIASKIVEOOXOPX-SFHVURJKSA-N 1 2 323.433 3.053 20 10 DGCDLO Cc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)n(C)n1 ZINC000283880997 131031144 /nfs/dbraw/zinc/03/11/44/131031144.db2.gz JBAHBSNELLJSAK-UHFFFAOYSA-N 1 2 300.189 3.031 20 10 DGCDLO CC[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cccc(Cl)c1O ZINC000287561271 131287400 /nfs/dbraw/zinc/28/74/00/131287400.db2.gz GGXJLXDLKOZXQU-OAHLLOKOSA-N 1 2 324.852 3.393 20 10 DGCDLO CN(C)c1ccc(C[N@H+](Cc2ncc(Cl)n2C)C2CC2)cc1 ZINC000298747289 132076330 /nfs/dbraw/zinc/07/63/30/132076330.db2.gz ZUWXMVVIRPFCFY-UHFFFAOYSA-N 1 2 318.852 3.304 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](Cc2ncc(Cl)n2C)C2CC2)cc1 ZINC000298747289 132076332 /nfs/dbraw/zinc/07/63/32/132076332.db2.gz ZUWXMVVIRPFCFY-UHFFFAOYSA-N 1 2 318.852 3.304 20 10 DGCDLO CCc1nc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000299123745 132089852 /nfs/dbraw/zinc/08/98/52/132089852.db2.gz WEAQYTACZJNLLJ-UHFFFAOYSA-N 1 2 302.422 3.109 20 10 DGCDLO CCc1nc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000299123745 132089854 /nfs/dbraw/zinc/08/98/54/132089854.db2.gz WEAQYTACZJNLLJ-UHFFFAOYSA-N 1 2 302.422 3.109 20 10 DGCDLO CCC[N@H+](Cc1nnc(OCC)s1)Cc1ccccc1O ZINC000068973535 400302257 /nfs/dbraw/zinc/30/22/57/400302257.db2.gz CFNDSANRUOBGID-UHFFFAOYSA-N 1 2 307.419 3.055 20 10 DGCDLO CCC[N@@H+](Cc1nnc(OCC)s1)Cc1ccccc1O ZINC000068973535 400302265 /nfs/dbraw/zinc/30/22/65/400302265.db2.gz CFNDSANRUOBGID-UHFFFAOYSA-N 1 2 307.419 3.055 20 10 DGCDLO CC[C@H]([NH2+]C1CCC(C(=O)NC)CC1)c1cccc(Cl)c1O ZINC000287895068 288033536 /nfs/dbraw/zinc/03/35/36/288033536.db2.gz ZGCQWYSWUAYLIJ-QOZQQMKHSA-N 1 2 324.852 3.391 20 10 DGCDLO CC[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc(Cl)c1O ZINC000287599353 288051426 /nfs/dbraw/zinc/05/14/26/288051426.db2.gz INJZDIOLWBNJPK-ZDUSSCGKSA-N 1 2 320.824 3.214 20 10 DGCDLO Cn1cc[nH+]c1[C@H]1N(Cc2c(O)cccc2Cl)CC1(C)C ZINC000294700759 279379547 /nfs/dbraw/zinc/37/95/47/279379547.db2.gz CZQGWBPRVHVOLN-CQSZACIVSA-N 1 2 305.809 3.362 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]CCCn1cccn1 ZINC000101591001 431986667 /nfs/dbraw/zinc/98/66/67/431986667.db2.gz QQNQAJIUPYRQLU-UHFFFAOYSA-N 1 2 300.189 3.075 20 10 DGCDLO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(Cl)c(Cl)c1O ZINC000185113420 432467938 /nfs/dbraw/zinc/46/79/38/432467938.db2.gz GNFJHRQRSHPDTJ-MRVPVSSYSA-N 1 2 300.189 3.283 20 10 DGCDLO CCO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000194461570 432552752 /nfs/dbraw/zinc/55/27/52/432552752.db2.gz QKALXKOHOYHOOB-QGZVFWFLSA-N 1 2 316.357 3.168 20 10 DGCDLO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186224097 432571646 /nfs/dbraw/zinc/57/16/46/432571646.db2.gz YFLSSZCBLFLHAS-MRVPVSSYSA-N 1 2 319.232 3.122 20 10 DGCDLO C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273379229 432591982 /nfs/dbraw/zinc/59/19/82/432591982.db2.gz HUJWQENDLBJLKT-RYUDHWBXSA-N 1 2 316.357 3.205 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000186648847 432618527 /nfs/dbraw/zinc/61/85/27/432618527.db2.gz QXQFBPOMFUWWBI-HNNXBMFYSA-N 1 2 319.499 3.499 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCSC[C@H]2c2nccs2)cc1 ZINC000186648847 432618532 /nfs/dbraw/zinc/61/85/32/432618532.db2.gz QXQFBPOMFUWWBI-HNNXBMFYSA-N 1 2 319.499 3.499 20 10 DGCDLO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1O ZINC000276901126 432827060 /nfs/dbraw/zinc/82/70/60/432827060.db2.gz JBMBRIBERQDIAX-XPTSAGLGSA-N 1 2 311.303 3.194 20 10 DGCDLO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000277003691 432827940 /nfs/dbraw/zinc/82/79/40/432827940.db2.gz ZRLQQMIEFBPYIM-HTQZYQBOSA-N 1 2 313.266 3.288 20 10 DGCDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000268229569 432856359 /nfs/dbraw/zinc/85/63/59/432856359.db2.gz UBGQZUXNUDQOLO-UHFFFAOYSA-N 1 2 303.431 3.060 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000289721570 432973327 /nfs/dbraw/zinc/97/33/27/432973327.db2.gz JRAFFRCNDZSJDC-NVXWUHKLSA-N 1 2 321.392 3.123 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000289721570 432973332 /nfs/dbraw/zinc/97/33/32/432973332.db2.gz JRAFFRCNDZSJDC-NVXWUHKLSA-N 1 2 321.392 3.123 20 10 DGCDLO CC(C)n1ncnc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000279909747 432998156 /nfs/dbraw/zinc/99/81/56/432998156.db2.gz FGJKWSJEUNLTHE-UHFFFAOYSA-N 1 2 313.449 3.090 20 10 DGCDLO CC(C)n1ncnc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000279909747 432998159 /nfs/dbraw/zinc/99/81/59/432998159.db2.gz FGJKWSJEUNLTHE-UHFFFAOYSA-N 1 2 313.449 3.090 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291203732 433229758 /nfs/dbraw/zinc/22/97/58/433229758.db2.gz HVHIOEBIUVTPQX-LBPRGKRZSA-N 1 2 312.200 3.343 20 10 DGCDLO COc1ccc([NH+]2CCC(Nc3ncc(C)c(C)n3)CC2)cc1 ZINC000301859415 433763172 /nfs/dbraw/zinc/76/31/72/433763172.db2.gz FADGUYOVTLPPRK-UHFFFAOYSA-N 1 2 312.417 3.183 20 10 DGCDLO O=C(/C=C/c1cccnc1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000492074865 434909683 /nfs/dbraw/zinc/90/96/83/434909683.db2.gz XSYVMGJUCCRFKI-VOTSOKGWSA-N 1 2 322.343 3.190 20 10 DGCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2c1cccc2C(F)(F)F ZINC000492812734 435053855 /nfs/dbraw/zinc/05/38/55/435053855.db2.gz NPKZUNLCRYVKJU-SNAWJCMRSA-N 1 2 307.275 3.031 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000278403387 334096115 /nfs/dbraw/zinc/09/61/15/334096115.db2.gz OPBBWOZGMKOOCK-GXFFZTMASA-N 1 2 323.742 3.181 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000278403387 334096116 /nfs/dbraw/zinc/09/61/16/334096116.db2.gz OPBBWOZGMKOOCK-GXFFZTMASA-N 1 2 323.742 3.181 20 10 DGCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302876248 336372809 /nfs/dbraw/zinc/37/28/09/336372809.db2.gz FLNXRERMDYRXKM-UHFFFAOYSA-N 1 2 311.433 3.063 20 10 DGCDLO Cc1cc(N(C)C)ccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302876248 336372810 /nfs/dbraw/zinc/37/28/10/336372810.db2.gz FLNXRERMDYRXKM-UHFFFAOYSA-N 1 2 311.433 3.063 20 10 DGCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCc2cc(OC(F)F)ccc21 ZINC000492860583 339910937 /nfs/dbraw/zinc/91/09/37/339910937.db2.gz IHHLZLQWXIGNBY-UTCJRWHESA-N 1 2 319.311 3.004 20 10 DGCDLO CCOc1cccc(C[NH2+]C2(c3noc(C)n3)CCCC2)c1O ZINC000236890536 521359164 /nfs/dbraw/zinc/35/91/64/521359164.db2.gz MTIADVRYJBOSCO-UHFFFAOYSA-N 1 2 317.389 3.041 20 10 DGCDLO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191212943 524741723 /nfs/dbraw/zinc/74/17/23/524741723.db2.gz PYANCCHYUOZAHV-YGRLFVJLSA-N 1 2 323.339 3.063 20 10 DGCDLO Cc1c(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)cnn1C ZINC000156574158 525725848 /nfs/dbraw/zinc/72/58/48/525725848.db2.gz DDBXYQFNLXMKCN-UHFFFAOYSA-N 1 2 300.189 3.031 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CSCCS1 ZINC001560370906 1189319124 /nfs/dbraw/zinc/31/91/24/1189319124.db2.gz BNIVQIOTHHISHZ-SNVBAGLBSA-N 1 2 307.843 3.123 20 10 DGCDLO CC[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cccc(Cl)c1O ZINC000287847337 535808022 /nfs/dbraw/zinc/80/80/22/535808022.db2.gz WOVZGFHVUPUFOE-SMDDNHRTSA-N 1 2 310.825 3.097 20 10 DGCDLO CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000746756596 575473396 /nfs/dbraw/zinc/47/33/96/575473396.db2.gz UVWZBMSDXILOKQ-RYUDHWBXSA-N 1 2 314.223 3.202 20 10 DGCDLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)c(C)n1-c1ccccc1C ZINC000747973699 575554428 /nfs/dbraw/zinc/55/44/28/575554428.db2.gz DHSZCZMNTBRYDB-UHFFFAOYSA-N 1 2 308.385 3.056 20 10 DGCDLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)c(C)n1-c1ccccc1C ZINC000747973699 575554430 /nfs/dbraw/zinc/55/44/30/575554430.db2.gz DHSZCZMNTBRYDB-UHFFFAOYSA-N 1 2 308.385 3.056 20 10 DGCDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000750020190 575697493 /nfs/dbraw/zinc/69/74/93/575697493.db2.gz XJHHKSCYRVLREW-CYBMUJFWSA-N 1 2 317.389 3.115 20 10 DGCDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000750020190 575697495 /nfs/dbraw/zinc/69/74/95/575697495.db2.gz XJHHKSCYRVLREW-CYBMUJFWSA-N 1 2 317.389 3.115 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H](C)O1 ZINC000750045475 575700125 /nfs/dbraw/zinc/70/01/25/575700125.db2.gz RKIUDVUBDGTSPN-HZMBPMFUSA-N 1 2 311.809 3.248 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H](C)O1 ZINC000750045475 575700127 /nfs/dbraw/zinc/70/01/27/575700127.db2.gz RKIUDVUBDGTSPN-HZMBPMFUSA-N 1 2 311.809 3.248 20 10 DGCDLO COc1ccc([NH+]2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000726560554 576030934 /nfs/dbraw/zinc/03/09/34/576030934.db2.gz CUOAGNQUWKWXDN-UHFFFAOYSA-N 1 2 316.426 3.156 20 10 DGCDLO COc1ccc([NH+]2CCC(NC(=O)[C@@H]3CC=CCC3)CC2)cc1 ZINC000726560831 576030938 /nfs/dbraw/zinc/03/09/38/576030938.db2.gz REOLOEACACGCGG-OAHLLOKOSA-N 1 2 314.429 3.137 20 10 DGCDLO CCc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000155188406 620783784 /nfs/dbraw/zinc/78/37/84/620783784.db2.gz BTAOKKOMBLHLMT-UHFFFAOYSA-N 1 2 320.868 3.334 20 10 DGCDLO CCc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000155188406 620783786 /nfs/dbraw/zinc/78/37/86/620783786.db2.gz BTAOKKOMBLHLMT-UHFFFAOYSA-N 1 2 320.868 3.334 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000894787448 618457826 /nfs/dbraw/zinc/45/78/26/618457826.db2.gz OTPAHUZSYDSHQO-UHFFFAOYSA-N 1 2 319.307 3.044 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000894787448 618457828 /nfs/dbraw/zinc/45/78/28/618457828.db2.gz OTPAHUZSYDSHQO-UHFFFAOYSA-N 1 2 319.307 3.044 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000894882828 618486898 /nfs/dbraw/zinc/48/68/98/618486898.db2.gz LSALFFCBTJVNGU-LBPRGKRZSA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H]1C1CC1 ZINC000894882828 618486900 /nfs/dbraw/zinc/48/69/00/618486900.db2.gz LSALFFCBTJVNGU-LBPRGKRZSA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1cccc(Br)c1C[NH+]1CC(C(F)(F)F)C1 ZINC000894891272 618489047 /nfs/dbraw/zinc/48/90/47/618489047.db2.gz XHNGRJDWBFJHOK-UHFFFAOYSA-N 1 2 310.113 3.149 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000895068182 618524908 /nfs/dbraw/zinc/52/49/08/618524908.db2.gz MLCZAXNHBRQQKJ-UHFFFAOYSA-N 1 2 303.793 3.206 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000895068182 618524910 /nfs/dbraw/zinc/52/49/10/618524910.db2.gz MLCZAXNHBRQQKJ-UHFFFAOYSA-N 1 2 303.793 3.206 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000897083339 619012420 /nfs/dbraw/zinc/01/24/20/619012420.db2.gz XVYSDTXSIOIHAR-IAQYHMDHSA-N 1 2 313.800 3.480 20 10 DGCDLO OCC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CCCC1 ZINC000897885314 619191636 /nfs/dbraw/zinc/19/16/36/619191636.db2.gz GLRMNNVGLBJFNM-AWEZNQCLSA-N 1 2 301.789 3.216 20 10 DGCDLO COC(=O)c1cc(C[NH2+]Cc2cccc(Cl)c2O)c(C)o1 ZINC000898214335 619222161 /nfs/dbraw/zinc/22/21/61/619222161.db2.gz AHUKXONVVFIQFL-UHFFFAOYSA-N 1 2 309.749 3.023 20 10 DGCDLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]1SC ZINC000898218366 619222369 /nfs/dbraw/zinc/22/23/69/619222369.db2.gz FRVGGUCVOCTVMH-YRGRVCCFSA-N 1 2 301.839 3.044 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000898219157 619222722 /nfs/dbraw/zinc/22/27/22/619222722.db2.gz VTIFGLSDWWLWBR-UHFFFAOYSA-N 1 2 305.687 3.077 20 10 DGCDLO C[C@@H]([NH2+][C@@H](CO)CCc1ccccc1)c1cc(F)cc(F)c1O ZINC000903292175 619752157 /nfs/dbraw/zinc/75/21/57/619752157.db2.gz CUOBGAGPDSYWJP-IUODEOHRSA-N 1 2 321.367 3.315 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cn(C)nc1OC)c1cccc(Cl)c1O ZINC000903338584 619760221 /nfs/dbraw/zinc/76/02/21/619760221.db2.gz RHJRASXEJXKXAX-CYBMUJFWSA-N 1 2 309.797 3.029 20 10 DGCDLO C[C@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1ccc(F)cc1O ZINC000903342114 619760553 /nfs/dbraw/zinc/76/05/53/619760553.db2.gz WTNPEYVWFZSXHU-QMMMGPOBSA-N 1 2 317.286 3.134 20 10 DGCDLO C[C@H]([NH2+]Cc1ccc(CCO)cc1)c1cc(F)cc(F)c1O ZINC000903403480 619774264 /nfs/dbraw/zinc/77/42/64/619774264.db2.gz RALOKULOEJHCQQ-NSHDSACASA-N 1 2 307.340 3.056 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1cccc(Cl)c1O ZINC000903420113 619776114 /nfs/dbraw/zinc/77/61/14/619776114.db2.gz LYAIAKWTZZUEAR-CQSZACIVSA-N 1 2 321.808 3.013 20 10 DGCDLO CSCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000134907965 620883162 /nfs/dbraw/zinc/88/31/62/620883162.db2.gz AZHZDLMOPSAECS-SSDOTTSWSA-N 1 2 308.216 3.307 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000922578039 621059776 /nfs/dbraw/zinc/05/97/76/621059776.db2.gz GPSPZUYWZHPVNJ-CQSZACIVSA-N 1 2 307.756 3.216 20 10 DGCDLO CC(C)Cn1ccnc1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858145609 621157634 /nfs/dbraw/zinc/15/76/34/621157634.db2.gz ZGHIFRDYAYZIIW-UHFFFAOYSA-N 1 2 322.403 3.173 20 10 DGCDLO CCC(F)(F)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858507987 621200281 /nfs/dbraw/zinc/20/02/81/621200281.db2.gz LJDRWYNASYBEJQ-LBPRGKRZSA-N 1 2 316.367 3.358 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cc(F)cc(F)c1O ZINC000858531322 621202428 /nfs/dbraw/zinc/20/24/28/621202428.db2.gz DKSIKNPMKOAAHE-BXUZGUMPSA-N 1 2 310.388 3.338 20 10 DGCDLO Fc1cccc2c1C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000839184557 621344514 /nfs/dbraw/zinc/34/45/14/621344514.db2.gz VLEZHXKHFCRHLS-UHFFFAOYSA-N 1 2 312.388 3.178 20 10 DGCDLO Fc1cccc2c1C[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000839184557 621344517 /nfs/dbraw/zinc/34/45/17/621344517.db2.gz VLEZHXKHFCRHLS-UHFFFAOYSA-N 1 2 312.388 3.178 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)[C@H](C)[C@@H](C)O1 ZINC000862337549 621575707 /nfs/dbraw/zinc/57/57/07/621575707.db2.gz WYVPKAQWTFZCIK-GMTAPVOTSA-N 1 2 314.223 3.152 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)[C@H](C)[C@@H](C)O1 ZINC000862337549 621575709 /nfs/dbraw/zinc/57/57/09/621575709.db2.gz WYVPKAQWTFZCIK-GMTAPVOTSA-N 1 2 314.223 3.152 20 10 DGCDLO Cc1cccc2c1C[C@@H]([NH2+]Cc1cccc(Cl)c1O)CO2 ZINC000862441532 621590557 /nfs/dbraw/zinc/59/05/57/621590557.db2.gz VYYJAOKQDNJAJC-CYBMUJFWSA-N 1 2 303.789 3.447 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000862529482 621596857 /nfs/dbraw/zinc/59/68/57/621596857.db2.gz LVHFBIYPXZFIIC-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000862529482 621596859 /nfs/dbraw/zinc/59/68/59/621596859.db2.gz LVHFBIYPXZFIIC-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N1CCC(C)CC1 ZINC000756504022 621642939 /nfs/dbraw/zinc/64/29/39/621642939.db2.gz OPZGFTBMIGOZHY-OLZOCXBDSA-N 1 2 312.404 3.441 20 10 DGCDLO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC000756603274 621652301 /nfs/dbraw/zinc/65/23/01/621652301.db2.gz AEHBZCCHJRSAFD-SECBINFHSA-N 1 2 301.333 3.053 20 10 DGCDLO C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC000756629945 621653966 /nfs/dbraw/zinc/65/39/66/621653966.db2.gz SRNUINWUZNXKCI-JTQLQIEISA-N 1 2 315.360 3.443 20 10 DGCDLO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1cc(F)cc(F)c1O ZINC000756635682 621654510 /nfs/dbraw/zinc/65/45/10/621654510.db2.gz GYZXBXKMCSMTEI-QMMMGPOBSA-N 1 2 313.373 3.044 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000756757920 621662534 /nfs/dbraw/zinc/66/25/34/621662534.db2.gz DAGZSCJAORNDQK-NVGCLXPQSA-N 1 2 321.367 3.313 20 10 DGCDLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1cc(F)ccc1O ZINC000756868955 621668979 /nfs/dbraw/zinc/66/89/79/621668979.db2.gz ZFSAKAUUJQJXDB-NSHDSACASA-N 1 2 312.348 3.167 20 10 DGCDLO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863544771 621682597 /nfs/dbraw/zinc/68/25/97/621682597.db2.gz AQHCDSIKWIQGHJ-KXUCPTDWSA-N 1 2 303.233 3.490 20 10 DGCDLO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Cl)c(Cl)cc1O ZINC000863548552 621683187 /nfs/dbraw/zinc/68/31/87/621683187.db2.gz ZVTBRCOWNHWGRE-KXUCPTDWSA-N 1 2 303.233 3.490 20 10 DGCDLO COc1ccc(N(C)Cc2c[nH+]c3ccc(C)cn23)cc1OC ZINC000761222230 621995812 /nfs/dbraw/zinc/99/58/12/621995812.db2.gz RNQYWWXNIJQEBR-UHFFFAOYSA-N 1 2 311.385 3.296 20 10 DGCDLO Cc1ccc2[nH+]cc(CN3CCOc4cc(N(C)C)ccc43)n2c1 ZINC000765654156 622279873 /nfs/dbraw/zinc/27/98/73/622279873.db2.gz GAENVVPRLHBQPF-UHFFFAOYSA-N 1 2 322.412 3.108 20 10 DGCDLO CCOc1ccc(C[N@H+](C)Cc2nccn2C(F)F)c(O)c1 ZINC000768349886 622451717 /nfs/dbraw/zinc/45/17/17/622451717.db2.gz OTDIGALZOFQFJO-UHFFFAOYSA-N 1 2 311.332 3.015 20 10 DGCDLO CCOc1ccc(C[N@@H+](C)Cc2nccn2C(F)F)c(O)c1 ZINC000768349886 622451719 /nfs/dbraw/zinc/45/17/19/622451719.db2.gz OTDIGALZOFQFJO-UHFFFAOYSA-N 1 2 311.332 3.015 20 10 DGCDLO C[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCO[C@H]1C1CC1 ZINC000768540592 622463443 /nfs/dbraw/zinc/46/34/43/622463443.db2.gz JMOJNWIXWOTSSZ-JKSUJKDBSA-N 1 2 313.800 3.480 20 10 DGCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000769306817 622516305 /nfs/dbraw/zinc/51/63/05/622516305.db2.gz CTPCZRDZFBLTLL-GOSISDBHSA-N 1 2 317.360 3.113 20 10 DGCDLO COc1cccc(O)c1C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000769306817 622516306 /nfs/dbraw/zinc/51/63/06/622516306.db2.gz CTPCZRDZFBLTLL-GOSISDBHSA-N 1 2 317.360 3.113 20 10 DGCDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000769498731 622534391 /nfs/dbraw/zinc/53/43/91/622534391.db2.gz PHMRGRIYPBNINL-CYBMUJFWSA-N 1 2 311.809 3.352 20 10 DGCDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000769498731 622534393 /nfs/dbraw/zinc/53/43/93/622534393.db2.gz PHMRGRIYPBNINL-CYBMUJFWSA-N 1 2 311.809 3.352 20 10 DGCDLO COc1cccc(O)c1C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000770355370 622624407 /nfs/dbraw/zinc/62/44/07/622624407.db2.gz MLCDPBKFXSOBFJ-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1cccc(O)c1C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000770355370 622624411 /nfs/dbraw/zinc/62/44/11/622624411.db2.gz MLCDPBKFXSOBFJ-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO C[NH+]1CCN(c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)CC1 ZINC000771513478 622771084 /nfs/dbraw/zinc/77/10/84/622771084.db2.gz MBTFKTTUBRVTDW-UHFFFAOYSA-N 1 2 310.376 3.121 20 10 DGCDLO CC[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc(Cl)c1O ZINC000872112337 622814189 /nfs/dbraw/zinc/81/41/89/622814189.db2.gz JCHTWLFMBCFYCX-SMDDNHRTSA-N 1 2 311.809 3.430 20 10 DGCDLO CC[C@H]1COCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000124553896 623158839 /nfs/dbraw/zinc/15/88/39/623158839.db2.gz KJISWNQMXAFCGQ-ZDUSSCGKSA-N 1 2 314.223 3.074 20 10 DGCDLO CC[C@H]1COCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000124553896 623158840 /nfs/dbraw/zinc/15/88/40/623158840.db2.gz KJISWNQMXAFCGQ-ZDUSSCGKSA-N 1 2 314.223 3.074 20 10 DGCDLO Oc1c(Cl)cccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000775634070 623299349 /nfs/dbraw/zinc/29/93/49/623299349.db2.gz OPILNJHVCSGEME-UHFFFAOYSA-N 1 2 316.832 3.363 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000775664816 623308457 /nfs/dbraw/zinc/30/84/57/623308457.db2.gz AJEWPRGCMKZCJQ-UHFFFAOYSA-N 1 2 309.772 3.218 20 10 DGCDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)o1 ZINC000775673801 623310828 /nfs/dbraw/zinc/31/08/28/623310828.db2.gz ZVUMUXRKUCSZTD-GFCCVEGCSA-N 1 2 307.781 3.117 20 10 DGCDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)o1 ZINC000775673801 623310835 /nfs/dbraw/zinc/31/08/35/623310835.db2.gz ZVUMUXRKUCSZTD-GFCCVEGCSA-N 1 2 307.781 3.117 20 10 DGCDLO Cc1nnc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)o1 ZINC000775673803 623311077 /nfs/dbraw/zinc/31/10/77/623311077.db2.gz ZVUMUXRKUCSZTD-LBPRGKRZSA-N 1 2 307.781 3.117 20 10 DGCDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)o1 ZINC000775673803 623311083 /nfs/dbraw/zinc/31/10/83/623311083.db2.gz ZVUMUXRKUCSZTD-LBPRGKRZSA-N 1 2 307.781 3.117 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)c1O ZINC000775676902 623312247 /nfs/dbraw/zinc/31/22/47/623312247.db2.gz AHNDOYZAIBLBPJ-MRXNPFEDSA-N 1 2 308.853 3.414 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](N3CCCCC3)C2)c1O ZINC000775676902 623312251 /nfs/dbraw/zinc/31/22/51/623312251.db2.gz AHNDOYZAIBLBPJ-MRXNPFEDSA-N 1 2 308.853 3.414 20 10 DGCDLO CCOC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775700274 623315963 /nfs/dbraw/zinc/31/59/63/623315963.db2.gz MRKLPCOOIDLRIS-LLVKDONJSA-N 1 2 301.789 3.433 20 10 DGCDLO CCOC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775700274 623315968 /nfs/dbraw/zinc/31/59/68/623315968.db2.gz MRKLPCOOIDLRIS-LLVKDONJSA-N 1 2 301.789 3.433 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C(=O)OC(C)C)c1O ZINC000775711415 623317391 /nfs/dbraw/zinc/31/73/91/623317391.db2.gz YULZKSGLTXSPJH-AWEZNQCLSA-N 1 2 311.809 3.270 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)C)c1O ZINC000775711415 623317396 /nfs/dbraw/zinc/31/73/96/623317396.db2.gz YULZKSGLTXSPJH-AWEZNQCLSA-N 1 2 311.809 3.270 20 10 DGCDLO CCO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775832775 623338205 /nfs/dbraw/zinc/33/82/05/623338205.db2.gz BOZMGXXTDFMTIV-QWHCGFSZSA-N 1 2 318.421 3.084 20 10 DGCDLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1ccc(N(C)C)cc1 ZINC000775836086 623339501 /nfs/dbraw/zinc/33/95/01/623339501.db2.gz YTZVSVNVADKGOC-GFCCVEGCSA-N 1 2 302.422 3.284 20 10 DGCDLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc(N(C)C)cc1 ZINC000775833246 623339864 /nfs/dbraw/zinc/33/98/64/623339864.db2.gz AEPROLFHWLCBEO-LBPRGKRZSA-N 1 2 302.422 3.284 20 10 DGCDLO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776253330 623401698 /nfs/dbraw/zinc/40/16/98/623401698.db2.gz MFVUBJUKLSMPKG-ZANVPECISA-N 1 2 313.756 3.380 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2O)cc1O ZINC000876633166 623664867 /nfs/dbraw/zinc/66/48/67/623664867.db2.gz NNBGZARQTZBOEA-UHFFFAOYSA-N 1 2 309.312 3.017 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2O)cc1O ZINC000876633166 623664871 /nfs/dbraw/zinc/66/48/71/623664871.db2.gz NNBGZARQTZBOEA-UHFFFAOYSA-N 1 2 309.312 3.017 20 10 DGCDLO CC(C)[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC(F)F ZINC000876810561 623712132 /nfs/dbraw/zinc/71/21/32/623712132.db2.gz BNLSNRDQMKXJKW-UHFFFAOYSA-N 1 2 312.404 3.123 20 10 DGCDLO CC(C)[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC(F)F ZINC000876810561 623712133 /nfs/dbraw/zinc/71/21/33/623712133.db2.gz BNLSNRDQMKXJKW-UHFFFAOYSA-N 1 2 312.404 3.123 20 10 DGCDLO COCC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccc(C)o1 ZINC000877166978 623813605 /nfs/dbraw/zinc/81/36/05/623813605.db2.gz KABUPYRKUJJEFO-ZDUSSCGKSA-N 1 2 311.328 3.439 20 10 DGCDLO COc1cc(OC)c(C[N@@H+]2Cc3cccc(O)c3C2)cc1F ZINC000877702769 623997197 /nfs/dbraw/zinc/99/71/97/623997197.db2.gz HECFADXDIPJSAG-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO COc1cc(OC)c(C[N@H+]2Cc3cccc(O)c3C2)cc1F ZINC000877702769 623997204 /nfs/dbraw/zinc/99/72/04/623997204.db2.gz HECFADXDIPJSAG-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1ccnn1CCc1ccccc1)C2 ZINC000877703121 623998682 /nfs/dbraw/zinc/99/86/82/623998682.db2.gz SCTTYPNLPXFMAH-UHFFFAOYSA-N 1 2 319.408 3.347 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1ccnn1CCc1ccccc1)C2 ZINC000877703121 623998686 /nfs/dbraw/zinc/99/86/86/623998686.db2.gz SCTTYPNLPXFMAH-UHFFFAOYSA-N 1 2 319.408 3.347 20 10 DGCDLO CC[C@H]1COCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000781901093 624164549 /nfs/dbraw/zinc/16/45/49/624164549.db2.gz MAEQQYLOTQRCCM-LBPRGKRZSA-N 1 2 314.223 3.074 20 10 DGCDLO CC[C@H]1COCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000781901093 624164556 /nfs/dbraw/zinc/16/45/56/624164556.db2.gz MAEQQYLOTQRCCM-LBPRGKRZSA-N 1 2 314.223 3.074 20 10 DGCDLO C[N@H+](Cc1ncc(Br)s1)Cc1ccccc1O ZINC000783423393 624348760 /nfs/dbraw/zinc/34/87/60/624348760.db2.gz DORIBGNYXISGQW-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO C[N@@H+](Cc1ncc(Br)s1)Cc1ccccc1O ZINC000783423393 624348767 /nfs/dbraw/zinc/34/87/67/624348767.db2.gz DORIBGNYXISGQW-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO CC(C)[C@@H](C[NH2+]Cc1cccc(Cl)c1O)c1ccnn1C ZINC000788266172 625108475 /nfs/dbraw/zinc/10/84/75/625108475.db2.gz LASNZDZLHWCZDT-CYBMUJFWSA-N 1 2 307.825 3.309 20 10 DGCDLO C[C@@H](O)CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000788603767 625225287 /nfs/dbraw/zinc/22/52/87/625225287.db2.gz DRZCYNAUPRZOPQ-BDAKNGLRSA-N 1 2 320.202 3.105 20 10 DGCDLO CCC[N@H+](Cc1noc(C(C)(C)C)n1)Cc1ccccc1O ZINC000130731489 625896660 /nfs/dbraw/zinc/89/66/60/625896660.db2.gz SHKGOZRRFPRCPU-UHFFFAOYSA-N 1 2 303.406 3.485 20 10 DGCDLO CCC[N@@H+](Cc1noc(C(C)(C)C)n1)Cc1ccccc1O ZINC000130731489 625896662 /nfs/dbraw/zinc/89/66/62/625896662.db2.gz SHKGOZRRFPRCPU-UHFFFAOYSA-N 1 2 303.406 3.485 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000883017029 625899160 /nfs/dbraw/zinc/89/91/60/625899160.db2.gz UXXPSRUVVJTBBR-UHFFFAOYSA-N 1 2 324.274 3.436 20 10 DGCDLO C[C@H]1C[NH+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)S1=O ZINC000792192353 625922206 /nfs/dbraw/zinc/92/22/06/625922206.db2.gz NCCOALCTKZPMIG-HOTGVXAUSA-N 1 2 320.502 3.018 20 10 DGCDLO CS[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883195790 625966035 /nfs/dbraw/zinc/96/60/35/625966035.db2.gz CKEACLXAGPSJRQ-MGCOHNPYSA-N 1 2 320.227 3.277 20 10 DGCDLO CC[C@@H]([NH2+][C@H](CCO)CSC)c1cccc(Cl)c1O ZINC000806139443 626701622 /nfs/dbraw/zinc/70/16/22/626701622.db2.gz AOHCBJOULBEIHJ-ZWNOBZJWSA-N 1 2 303.855 3.200 20 10 DGCDLO CC[C@H]([NH2+]CC1(OC)CCOCC1)c1cccc(Cl)c1O ZINC000806149462 626702458 /nfs/dbraw/zinc/70/24/58/626702458.db2.gz SYPMAVCOYBFGJX-AWEZNQCLSA-N 1 2 313.825 3.282 20 10 DGCDLO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)c1O ZINC000808701790 626851053 /nfs/dbraw/zinc/85/10/53/626851053.db2.gz IRFJNAOPXYMFIN-GXFFZTMASA-N 1 2 305.809 3.285 20 10 DGCDLO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1cc(F)ccc1O ZINC000809688045 626936936 /nfs/dbraw/zinc/93/69/36/626936936.db2.gz ZINCOANAERCXEJ-UHFFFAOYSA-N 1 2 319.361 3.275 20 10 DGCDLO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1cc(F)ccc1O ZINC000809688045 626936938 /nfs/dbraw/zinc/93/69/38/626936938.db2.gz ZINCOANAERCXEJ-UHFFFAOYSA-N 1 2 319.361 3.275 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](Cc2cn[nH]c2)Cc2ccco2)cc1 ZINC000809731377 626943085 /nfs/dbraw/zinc/94/30/85/626943085.db2.gz GZPFEYLKJCMKMN-UHFFFAOYSA-N 1 2 310.401 3.271 20 10 DGCDLO CN(C)c1ccc(C[N@H+](Cc2cn[nH]c2)Cc2ccco2)cc1 ZINC000809731377 626943089 /nfs/dbraw/zinc/94/30/89/626943089.db2.gz GZPFEYLKJCMKMN-UHFFFAOYSA-N 1 2 310.401 3.271 20 10 DGCDLO C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(N(C)C)cc1 ZINC000810229074 626990313 /nfs/dbraw/zinc/99/03/13/626990313.db2.gz RJBPJYOBQGPMTD-ZDUSSCGKSA-N 1 2 323.400 3.283 20 10 DGCDLO CC[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1cccc(Cl)c1O ZINC000886670386 627185748 /nfs/dbraw/zinc/18/57/48/627185748.db2.gz NWTLAAHDIXNGIK-HUBLWGQQSA-N 1 2 313.825 3.016 20 10 DGCDLO CC(C)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1(CO)CCC1 ZINC000814171602 627546015 /nfs/dbraw/zinc/54/60/15/627546015.db2.gz RLESWEFIKJQDCK-OAHLLOKOSA-N 1 2 315.816 3.462 20 10 DGCDLO Cc1cc(C[N@H+]2C[C@@H](C(F)(F)F)OC[C@@H]2C)ccc1N(C)C ZINC000815116358 627629195 /nfs/dbraw/zinc/62/91/95/627629195.db2.gz KFYPVJSQTMTCSA-WFASDCNBSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(C[N@@H+]2C[C@@H](C(F)(F)F)OC[C@@H]2C)ccc1N(C)C ZINC000815116358 627629197 /nfs/dbraw/zinc/62/91/97/627629197.db2.gz KFYPVJSQTMTCSA-WFASDCNBSA-N 1 2 316.367 3.213 20 10 DGCDLO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816548847 627806193 /nfs/dbraw/zinc/80/61/93/627806193.db2.gz UUKPHSNIEDEUDG-UHFFFAOYSA-N 1 2 324.739 3.425 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817949371 627971229 /nfs/dbraw/zinc/97/12/29/627971229.db2.gz JWVDKHVQLMCGHJ-UWVGGRQHSA-N 1 2 303.233 3.492 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000817969521 627978875 /nfs/dbraw/zinc/97/88/75/627978875.db2.gz VWDJPONNEHHOJN-SWHYSGLUSA-N 1 2 316.367 3.450 20 10 DGCDLO CC[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cccc(Cl)c1O ZINC000927002399 627995423 /nfs/dbraw/zinc/99/54/23/627995423.db2.gz VFHDLRQJCGGZLV-CQSZACIVSA-N 1 2 311.809 3.239 20 10 DGCDLO C[C@@H]([NH2+][C@H]1CC12CC2)c1cc(Br)cc(F)c1O ZINC000818355895 628017629 /nfs/dbraw/zinc/01/76/29/628017629.db2.gz KYMRFEMVHOXJFZ-HQJQHLMTSA-N 1 2 300.171 3.497 20 10 DGCDLO CC[C@H](COCC(F)(F)F)[NH2+]Cc1cccc(Cl)c1O ZINC000824555603 628670553 /nfs/dbraw/zinc/67/05/53/628670553.db2.gz VNMADCYCXDCQSM-SNVBAGLBSA-N 1 2 311.731 3.493 20 10 DGCDLO OC[C@@H]([C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1)C1CC1 ZINC000824845142 628699623 /nfs/dbraw/zinc/69/96/23/628699623.db2.gz IFLVDCFZXAGYFA-UKRRQHHQSA-N 1 2 313.800 3.071 20 10 DGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H](CO)CC(C)(C)C ZINC000825041017 628720210 /nfs/dbraw/zinc/72/02/10/628720210.db2.gz YOQQZGJRSOATLO-GFCCVEGCSA-N 1 2 303.805 3.414 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H](CO)CC(C)(C)C ZINC000825041017 628720212 /nfs/dbraw/zinc/72/02/12/628720212.db2.gz YOQQZGJRSOATLO-GFCCVEGCSA-N 1 2 303.805 3.414 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)[C@@H](C)[C@@H](C)O1 ZINC000825634625 628779978 /nfs/dbraw/zinc/77/99/78/628779978.db2.gz PAXHMMUAVVHZFN-OUAUKWLOSA-N 1 2 314.223 3.152 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)[C@@H](C)[C@@H](C)O1 ZINC000825634625 628779980 /nfs/dbraw/zinc/77/99/80/628779980.db2.gz PAXHMMUAVVHZFN-OUAUKWLOSA-N 1 2 314.223 3.152 20 10 DGCDLO CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000826867949 628897559 /nfs/dbraw/zinc/89/75/59/628897559.db2.gz NOYKSSCZRVPQAZ-LBPRGKRZSA-N 1 2 300.805 3.147 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000827261091 628943188 /nfs/dbraw/zinc/94/31/88/628943188.db2.gz UOEHOASEBSJHAY-CYBMUJFWSA-N 1 2 307.752 3.278 20 10 DGCDLO CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1OC)c1cccc(Cl)c1O ZINC000834880702 629796308 /nfs/dbraw/zinc/79/63/08/629796308.db2.gz OEARSWVGDCYVLJ-TUKIKUTGSA-N 1 2 313.825 3.138 20 10 DGCDLO CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1OC)c1cccc(Cl)c1O ZINC000834880704 629796316 /nfs/dbraw/zinc/79/63/16/629796316.db2.gz OEARSWVGDCYVLJ-UGFHNGPFSA-N 1 2 313.825 3.138 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@@H](C)O ZINC000834886962 629798041 /nfs/dbraw/zinc/79/80/41/629798041.db2.gz GGYHVUGRKGVWSV-SXMVTHIZSA-N 1 2 320.202 3.104 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cccc(Cl)c1O ZINC000834896560 629801274 /nfs/dbraw/zinc/80/12/74/629801274.db2.gz LEFLXPKFCXJCJS-NHYWBVRUSA-N 1 2 307.825 3.451 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nccc(C(F)F)n1 ZINC000840945441 630381797 /nfs/dbraw/zinc/38/17/97/630381797.db2.gz NZYXFRMASMEXQO-UHFFFAOYSA-N 1 2 306.360 3.078 20 10 DGCDLO Oc1ccc(Cl)c(F)c1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841085713 630405882 /nfs/dbraw/zinc/40/58/82/630405882.db2.gz BJIFPAYFKQCFMY-BXUZGUMPSA-N 1 2 312.816 3.149 20 10 DGCDLO [NH3+]CC[N@H+](CCc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000843122011 630616001 /nfs/dbraw/zinc/61/60/01/630616001.db2.gz MZCUDOZIZCQWNS-UHFFFAOYSA-N 1 2 322.811 3.188 20 10 DGCDLO [NH3+]CC[N@@H+](CCc1ccccc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000843122011 630616004 /nfs/dbraw/zinc/61/60/04/630616004.db2.gz MZCUDOZIZCQWNS-UHFFFAOYSA-N 1 2 322.811 3.188 20 10 DGCDLO C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1cc(F)cc(F)c1O ZINC000844920866 630982894 /nfs/dbraw/zinc/98/28/94/630982894.db2.gz NQVCRIWQRDKKSU-GXFFZTMASA-N 1 2 304.340 3.358 20 10 DGCDLO COc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(F)F)c1O ZINC000848551166 631689596 /nfs/dbraw/zinc/68/95/96/631689596.db2.gz FOUULVKRUNITCD-SSDOTTSWSA-N 1 2 324.165 3.469 20 10 DGCDLO C[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC000848562112 631693999 /nfs/dbraw/zinc/69/39/99/631693999.db2.gz HCOYTYKUXPWYNG-VHSXEESVSA-N 1 2 315.360 3.299 20 10 DGCDLO CC[C@H]([NH2+]C[C@H](OC)[C@@H]1CCOC1)c1cccc(Cl)c1O ZINC000850485215 632166854 /nfs/dbraw/zinc/16/68/54/632166854.db2.gz ZAZKYQOSPFDZAO-UGFHNGPFSA-N 1 2 313.825 3.138 20 10 DGCDLO COC(C)(C)CC[NH2+]Cc1cccc(Br)c1O ZINC000711870324 660964634 /nfs/dbraw/zinc/96/46/34/660964634.db2.gz RAYHWEQTSYGQNC-UHFFFAOYSA-N 1 2 302.212 3.059 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2C[C@@H](C(F)(F)F)OC[C@H]2C)cc1C ZINC000795694941 661168162 /nfs/dbraw/zinc/16/81/62/661168162.db2.gz UVZWEHBFNRMBSA-RISCZKNCSA-N 1 2 303.324 3.161 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2C[C@@H](C(F)(F)F)OC[C@H]2C)cc1C ZINC000795694941 661168165 /nfs/dbraw/zinc/16/81/65/661168165.db2.gz UVZWEHBFNRMBSA-RISCZKNCSA-N 1 2 303.324 3.161 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1CCSC1 ZINC000715786903 661214615 /nfs/dbraw/zinc/21/46/15/661214615.db2.gz BOCCYIUWKKQADU-MRVPVSSYSA-N 1 2 320.227 3.137 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH+]1C2CCC1CC2 ZINC000715792224 661214706 /nfs/dbraw/zinc/21/47/06/661214706.db2.gz ADCAOUMYSTZZBH-UHFFFAOYSA-N 1 2 300.171 3.421 20 10 DGCDLO CN1CC[NH+](CCCSc2ncc(C(C)(C)C)s2)CC1 ZINC000181323032 659994126 /nfs/dbraw/zinc/99/41/26/659994126.db2.gz JZXCILOSGNBFLG-UHFFFAOYSA-N 1 2 313.536 3.170 20 10 DGCDLO COc1ccc(N2CC[NH+](Cc3nc(C)c(C)s3)CC2)cc1 ZINC000088575087 662232264 /nfs/dbraw/zinc/23/22/64/662232264.db2.gz MSTZPAJGDPUUGS-UHFFFAOYSA-N 1 2 317.458 3.091 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000092975471 662342460 /nfs/dbraw/zinc/34/24/60/662342460.db2.gz WJFXPQYKYIQVOE-IBGZPJMESA-N 1 2 314.404 3.465 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000092975471 662342464 /nfs/dbraw/zinc/34/24/64/662342464.db2.gz WJFXPQYKYIQVOE-IBGZPJMESA-N 1 2 314.404 3.465 20 10 DGCDLO Nc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001580449679 1192027875 /nfs/dbraw/zinc/02/78/75/1192027875.db2.gz RLUGLVGYHADNMB-KRWDZBQOSA-N 1 2 321.384 3.028 20 10 DGCDLO CC[C@@H]([NH2+]Cc1ccc(C)cc1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465135 1192510919 /nfs/dbraw/zinc/51/09/19/1192510919.db2.gz GFARKBKYMJNYQD-MRXNPFEDSA-N 1 2 323.400 3.122 20 10 DGCDLO Oc1c(F)cc(F)cc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001331527735 1178234705 /nfs/dbraw/zinc/23/47/05/1178234705.db2.gz CXNUFZJTDQIZAU-HNNXBMFYSA-N 1 2 310.388 3.121 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001331527735 1178234710 /nfs/dbraw/zinc/23/47/10/1178234710.db2.gz CXNUFZJTDQIZAU-HNNXBMFYSA-N 1 2 310.388 3.121 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001331527735 1178234715 /nfs/dbraw/zinc/23/47/15/1178234715.db2.gz CXNUFZJTDQIZAU-HNNXBMFYSA-N 1 2 310.388 3.121 20 10 DGCDLO O=C(NCc1c(O)ccc2c1CCCC2)c1cc2c[nH+]ccc2[nH]1 ZINC001622664598 1193908820 /nfs/dbraw/zinc/90/88/20/1193908820.db2.gz YRUAICLCEALBKF-UHFFFAOYSA-N 1 2 321.380 3.077 20 10 DGCDLO CC[NH+](CC)CC[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001651705782 1195499126 /nfs/dbraw/zinc/49/91/26/1195499126.db2.gz BXUIFSPDBWGAII-NSHDSACASA-N 1 2 302.821 3.395 20 10 DGCDLO CCN(C)c1ccc(C[N@@H+]2Cc3ccccc3NC(=O)[C@H]2C)cc1 ZINC001655029664 1195867377 /nfs/dbraw/zinc/86/73/77/1195867377.db2.gz HBZXCCORLFMZAN-OAHLLOKOSA-N 1 2 323.440 3.486 20 10 DGCDLO CCN(C)c1ccc(C[N@H+]2Cc3ccccc3NC(=O)[C@H]2C)cc1 ZINC001655029664 1195867379 /nfs/dbraw/zinc/86/73/79/1195867379.db2.gz HBZXCCORLFMZAN-OAHLLOKOSA-N 1 2 323.440 3.486 20 10 DGCDLO Cc1noc([C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C(C)C)n1 ZINC001658193653 1196223909 /nfs/dbraw/zinc/22/39/09/1196223909.db2.gz KTTSJNCJULRPFR-INIZCTEOSA-N 1 2 301.390 3.190 20 10 DGCDLO COC(=O)[C@@H](CC(C)(C)C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC001658417755 1196254429 /nfs/dbraw/zinc/25/44/29/1196254429.db2.gz AQAIODFYMAIPFY-CYBMUJFWSA-N 1 2 313.825 3.421 20 10 DGCDLO CC(=O)N(C)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC001658576423 1196275307 /nfs/dbraw/zinc/27/53/07/1196275307.db2.gz XSSTUHFHSQMMLU-UHFFFAOYSA-N 1 2 318.804 3.318 20 10 DGCDLO C[C@@H]1CCCN(CC[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001660915611 1196541558 /nfs/dbraw/zinc/54/15/58/1196541558.db2.gz IKIKSBPBCYRRRO-LLVKDONJSA-N 1 2 300.805 3.006 20 10 DGCDLO C[C@H]1CCC[C@](C[NH2+]Cc2cc(F)cc(F)c2O)(N(C)C)C1 ZINC001661084464 1196563414 /nfs/dbraw/zinc/56/34/14/1196563414.db2.gz WDHRJTIBOUDSGC-SJCJKPOMSA-N 1 2 312.404 3.271 20 10 DGCDLO CCC[N@H+](C)CC(C)(C)NCc1c(O)ccc(Cl)c1F ZINC001662931597 1196773445 /nfs/dbraw/zinc/77/34/45/1196773445.db2.gz DVNZOSZPYRORFQ-UHFFFAOYSA-N 1 2 302.821 3.395 20 10 DGCDLO CCC[N@@H+](C)CC(C)(C)NCc1c(O)ccc(Cl)c1F ZINC001662931597 1196773448 /nfs/dbraw/zinc/77/34/48/1196773448.db2.gz DVNZOSZPYRORFQ-UHFFFAOYSA-N 1 2 302.821 3.395 20 10 DGCDLO CC(C)n1cc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)nn1 ZINC001664627027 1197023663 /nfs/dbraw/zinc/02/36/63/1197023663.db2.gz KBFKGOFVXDMKIB-UHFFFAOYSA-N 1 2 313.449 3.091 20 10 DGCDLO CC(C)n1cc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)nn1 ZINC001664627027 1197023667 /nfs/dbraw/zinc/02/36/67/1197023667.db2.gz KBFKGOFVXDMKIB-UHFFFAOYSA-N 1 2 313.449 3.091 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001233031377 1098206823 /nfs/dbraw/zinc/20/68/23/1098206823.db2.gz CKIFAVBRCMIEIO-WCBMZHEXSA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001233031377 1098206828 /nfs/dbraw/zinc/20/68/28/1098206828.db2.gz CKIFAVBRCMIEIO-WCBMZHEXSA-N 1 2 300.171 3.278 20 10 DGCDLO O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000588404412 1083161101 /nfs/dbraw/zinc/16/11/01/1083161101.db2.gz QFAZUAJTHBSENZ-WAPJZHGLSA-N 1 2 321.336 3.140 20 10 DGCDLO Cc1cccc(N2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)c1 ZINC001142508790 1087274318 /nfs/dbraw/zinc/27/43/18/1087274318.db2.gz LOQXLKAIQRLLCZ-UHFFFAOYSA-N 1 2 318.367 3.301 20 10 DGCDLO Cc1c[nH+]c(N(C)Cc2ccc(N(C)C)cc2)nc1NC1CC1 ZINC001156921524 1089746568 /nfs/dbraw/zinc/74/65/68/1089746568.db2.gz ZCRMSURRCKBZFU-UHFFFAOYSA-N 1 2 311.433 3.062 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)c(Cl)c1 ZINC001236800089 1089926475 /nfs/dbraw/zinc/92/64/75/1089926475.db2.gz WROAASVGRUIXHC-ZIAGYGMSSA-N 1 2 305.752 3.326 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)c(Cl)c1 ZINC001236800089 1089926494 /nfs/dbraw/zinc/92/64/94/1089926494.db2.gz WROAASVGRUIXHC-ZIAGYGMSSA-N 1 2 305.752 3.326 20 10 DGCDLO OCC[N@H+](Cc1cccs1)Cc1c(O)ccc(F)c1Cl ZINC001237124524 1090287379 /nfs/dbraw/zinc/28/73/79/1090287379.db2.gz NFSAAFHSFPIZGQ-UHFFFAOYSA-N 1 2 315.797 3.241 20 10 DGCDLO OCC[N@@H+](Cc1cccs1)Cc1c(O)ccc(F)c1Cl ZINC001237124524 1090287384 /nfs/dbraw/zinc/28/73/84/1090287384.db2.gz NFSAAFHSFPIZGQ-UHFFFAOYSA-N 1 2 315.797 3.241 20 10 DGCDLO C[N@H+](Cc1scnc1Br)Cc1ccccc1O ZINC001238031777 1090337224 /nfs/dbraw/zinc/33/72/24/1090337224.db2.gz DJQHJCIIIXYTKH-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO C[N@@H+](Cc1scnc1Br)Cc1ccccc1O ZINC001238031777 1090337231 /nfs/dbraw/zinc/33/72/31/1090337231.db2.gz DJQHJCIIIXYTKH-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO CCOc1cccc(C[N@@H+]2CCc3ncc(Cl)cc3C2)c1O ZINC001203615190 1090767665 /nfs/dbraw/zinc/76/76/65/1090767665.db2.gz MYRMQRCRIKQIGD-UHFFFAOYSA-N 1 2 318.804 3.398 20 10 DGCDLO CCOc1cccc(C[N@H+]2CCc3ncc(Cl)cc3C2)c1O ZINC001203615190 1090767668 /nfs/dbraw/zinc/76/76/68/1090767668.db2.gz MYRMQRCRIKQIGD-UHFFFAOYSA-N 1 2 318.804 3.398 20 10 DGCDLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC001203645489 1090772617 /nfs/dbraw/zinc/77/26/17/1090772617.db2.gz KYXPKYJKTHLRAZ-CYBMUJFWSA-N 1 2 312.207 3.098 20 10 DGCDLO CC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC001203645489 1090772619 /nfs/dbraw/zinc/77/26/19/1090772619.db2.gz KYXPKYJKTHLRAZ-CYBMUJFWSA-N 1 2 312.207 3.098 20 10 DGCDLO Nc1ccc(N(CCO)c2ccc([NH+]3CCCCC3)cc2)cc1 ZINC001203719430 1090788616 /nfs/dbraw/zinc/78/86/16/1090788616.db2.gz WVHIYZIYGMSNMU-UHFFFAOYSA-N 1 2 311.429 3.390 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC001204002008 1090864300 /nfs/dbraw/zinc/86/43/00/1090864300.db2.gz HTKGLJJVSRTFJA-UHFFFAOYSA-N 1 2 303.749 3.319 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H](F)C(=O)C2)c2ccccc21 ZINC001204234177 1090931735 /nfs/dbraw/zinc/93/17/35/1090931735.db2.gz XUMOZXUOJRQPLL-KRWDZBQOSA-N 1 2 314.404 3.409 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCC[C@H](F)C(=O)C2)c2ccccc21 ZINC001204234177 1090931739 /nfs/dbraw/zinc/93/17/39/1090931739.db2.gz XUMOZXUOJRQPLL-KRWDZBQOSA-N 1 2 314.404 3.409 20 10 DGCDLO COc1cc(Br)cc(C[N@@H+]2C[C@@H](F)C[C@H]2C)c1O ZINC001204336464 1090951506 /nfs/dbraw/zinc/95/15/06/1090951506.db2.gz QISHVTOHJHSEHY-KCJUWKMLSA-N 1 2 318.186 3.096 20 10 DGCDLO COc1cc(Br)cc(C[N@H+]2C[C@@H](F)C[C@H]2C)c1O ZINC001204336464 1090951513 /nfs/dbraw/zinc/95/15/13/1090951513.db2.gz QISHVTOHJHSEHY-KCJUWKMLSA-N 1 2 318.186 3.096 20 10 DGCDLO C[C@H]1CN(Cc2c(O)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC001137840233 1091221659 /nfs/dbraw/zinc/22/16/59/1091221659.db2.gz UFZASEQZCSFGCT-HNNXBMFYSA-N 1 2 314.404 3.238 20 10 DGCDLO C[C@H]1CN(Cc2c(O)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC001137840233 1091221671 /nfs/dbraw/zinc/22/16/71/1091221671.db2.gz UFZASEQZCSFGCT-HNNXBMFYSA-N 1 2 314.404 3.238 20 10 DGCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2F)CCN1Cc1ccccc1 ZINC001137840233 1091221677 /nfs/dbraw/zinc/22/16/77/1091221677.db2.gz UFZASEQZCSFGCT-HNNXBMFYSA-N 1 2 314.404 3.238 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2F)CCN1Cc1ccccc1 ZINC001137840233 1091221684 /nfs/dbraw/zinc/22/16/84/1091221684.db2.gz UFZASEQZCSFGCT-HNNXBMFYSA-N 1 2 314.404 3.238 20 10 DGCDLO Oc1c(C[NH2+]Cc2cccc(C(F)(F)F)n2)ccc(F)c1F ZINC001205882895 1091393813 /nfs/dbraw/zinc/39/38/13/1091393813.db2.gz OIDWUWXTEANZAY-UHFFFAOYSA-N 1 2 318.245 3.374 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC001139129131 1091458991 /nfs/dbraw/zinc/45/89/91/1091458991.db2.gz NTMWDGTZGQYQKB-YPMHNXCESA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC001139129131 1091458994 /nfs/dbraw/zinc/45/89/94/1091458994.db2.gz NTMWDGTZGQYQKB-YPMHNXCESA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cnc(Cl)c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001139596340 1091613365 /nfs/dbraw/zinc/61/33/65/1091613365.db2.gz XZLMLLKUJQMPRX-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO Cc1cnc(Cl)c(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001139596340 1091613368 /nfs/dbraw/zinc/61/33/68/1091613368.db2.gz XZLMLLKUJQMPRX-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO C[NH+](C)CCN(Cc1ccccc1)Cc1c(F)ccc(F)c1O ZINC001139685509 1091642019 /nfs/dbraw/zinc/64/20/19/1091642019.db2.gz LYYYDAZGPLHSPO-UHFFFAOYSA-N 1 2 320.383 3.234 20 10 DGCDLO C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140055335 1091751192 /nfs/dbraw/zinc/75/11/92/1091751192.db2.gz RNFVTLAGURCUGW-OAHLLOKOSA-N 1 2 314.404 3.410 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1c(O)cccc1Cl)C1CCCC1 ZINC001140342722 1091836229 /nfs/dbraw/zinc/83/62/29/1091836229.db2.gz VSCQQJZLYZQEPY-UHFFFAOYSA-N 1 2 311.809 3.353 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1c(O)cccc1Cl)C1CCCC1 ZINC001140342722 1091836233 /nfs/dbraw/zinc/83/62/33/1091836233.db2.gz VSCQQJZLYZQEPY-UHFFFAOYSA-N 1 2 311.809 3.353 20 10 DGCDLO C[N@H+](CCCC(=O)c1cccnc1)Cc1c(O)cc(F)cc1F ZINC001140583247 1091920289 /nfs/dbraw/zinc/92/02/89/1091920289.db2.gz AYYFIDYQAHZYMU-UHFFFAOYSA-N 1 2 320.339 3.160 20 10 DGCDLO C[N@@H+](CCCC(=O)c1cccnc1)Cc1c(O)cc(F)cc1F ZINC001140583247 1091920296 /nfs/dbraw/zinc/92/02/96/1091920296.db2.gz AYYFIDYQAHZYMU-UHFFFAOYSA-N 1 2 320.339 3.160 20 10 DGCDLO Cc1cccc(O[C@H]2CC[N@H+](Cc3c(O)cc(F)cc3F)C2)n1 ZINC001140585378 1091921969 /nfs/dbraw/zinc/92/19/69/1091921969.db2.gz HKGDHQXLZSIRCH-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1cccc(O[C@H]2CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)n1 ZINC001140585378 1091921972 /nfs/dbraw/zinc/92/19/72/1091921972.db2.gz HKGDHQXLZSIRCH-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1ccc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(O)c1 ZINC001140954773 1092079813 /nfs/dbraw/zinc/07/98/13/1092079813.db2.gz YSHKCZXCSHNXIP-INIZCTEOSA-N 1 2 310.388 3.006 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1cccc(C(C)(C)C)c1O)C1CC1 ZINC001143116478 1092618589 /nfs/dbraw/zinc/61/85/89/1092618589.db2.gz CVCVAYVOGYYRQE-UHFFFAOYSA-N 1 2 305.418 3.217 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1cccc(C(C)(C)C)c1O)C1CC1 ZINC001143116478 1092618595 /nfs/dbraw/zinc/61/85/95/1092618595.db2.gz CVCVAYVOGYYRQE-UHFFFAOYSA-N 1 2 305.418 3.217 20 10 DGCDLO CN(C)c1ccc(C[N@H+](C)Cc2n[nH]c3ccc(F)cc32)cc1 ZINC001144200853 1095553505 /nfs/dbraw/zinc/55/35/05/1095553505.db2.gz NLSYDHBZMPBJKI-UHFFFAOYSA-N 1 2 312.392 3.400 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](C)Cc2n[nH]c3ccc(F)cc32)cc1 ZINC001144200853 1095553510 /nfs/dbraw/zinc/55/35/10/1095553510.db2.gz NLSYDHBZMPBJKI-UHFFFAOYSA-N 1 2 312.392 3.400 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cccnc1Br)CC2 ZINC001137800430 1095745549 /nfs/dbraw/zinc/74/55/49/1095745549.db2.gz JKOYZGMBXDSXDU-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cccnc1Br)CC2 ZINC001137800430 1095745562 /nfs/dbraw/zinc/74/55/62/1095745562.db2.gz JKOYZGMBXDSXDU-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137858008 1095769527 /nfs/dbraw/zinc/76/95/27/1095769527.db2.gz SMAHBGPRAZTWNM-OAHLLOKOSA-N 1 2 300.402 3.087 20 10 DGCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137858008 1095769535 /nfs/dbraw/zinc/76/95/35/1095769535.db2.gz SMAHBGPRAZTWNM-OAHLLOKOSA-N 1 2 300.402 3.087 20 10 DGCDLO Oc1c(CN2CC3(C2)CC[N@@H+](C2CCCC2)C3)ccc(F)c1F ZINC001276856859 1095836302 /nfs/dbraw/zinc/83/63/02/1095836302.db2.gz LOTCLWRYGIAZII-UHFFFAOYSA-N 1 2 322.399 3.121 20 10 DGCDLO Oc1c(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)ccc(F)c1F ZINC001276856859 1095836339 /nfs/dbraw/zinc/83/63/39/1095836339.db2.gz LOTCLWRYGIAZII-UHFFFAOYSA-N 1 2 322.399 3.121 20 10 DGCDLO C[C@@]1(CO)CC(F)(F)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231586133 1097786257 /nfs/dbraw/zinc/78/62/57/1097786257.db2.gz ATGRREBLWZKULK-INIZCTEOSA-N 1 2 307.340 3.137 20 10 DGCDLO C[C@@]1(CO)CC(F)(F)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231586133 1097786262 /nfs/dbraw/zinc/78/62/62/1097786262.db2.gz ATGRREBLWZKULK-INIZCTEOSA-N 1 2 307.340 3.137 20 10 DGCDLO Cc1cccc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1O ZINC001231594501 1097788412 /nfs/dbraw/zinc/78/84/12/1097788412.db2.gz GRMJSJYUTJBIDN-OAHLLOKOSA-N 1 2 310.388 3.006 20 10 DGCDLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2c(C)cc(C)cc2O)no1 ZINC001231846148 1097861650 /nfs/dbraw/zinc/86/16/50/1097861650.db2.gz GVISLMQUTGBLDN-HNNXBMFYSA-N 1 2 301.390 3.428 20 10 DGCDLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2c(C)cc(C)cc2O)no1 ZINC001231846148 1097861654 /nfs/dbraw/zinc/86/16/54/1097861654.db2.gz GVISLMQUTGBLDN-HNNXBMFYSA-N 1 2 301.390 3.428 20 10 DGCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC001231848055 1097863328 /nfs/dbraw/zinc/86/33/28/1097863328.db2.gz FSZBLWXWNVUZSC-KRWDZBQOSA-N 1 2 315.417 3.395 20 10 DGCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC001231848055 1097863333 /nfs/dbraw/zinc/86/33/33/1097863333.db2.gz FSZBLWXWNVUZSC-KRWDZBQOSA-N 1 2 315.417 3.395 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ncccn2)cc1Cl ZINC001231871690 1097871542 /nfs/dbraw/zinc/87/15/42/1097871542.db2.gz POXGBALRAQJEQG-CQSZACIVSA-N 1 2 303.793 3.481 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ncccn2)cc1Cl ZINC001231871690 1097871548 /nfs/dbraw/zinc/87/15/48/1097871548.db2.gz POXGBALRAQJEQG-CQSZACIVSA-N 1 2 303.793 3.481 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ncccn2)cc1Cl ZINC001231871688 1097872538 /nfs/dbraw/zinc/87/25/38/1097872538.db2.gz POXGBALRAQJEQG-AWEZNQCLSA-N 1 2 303.793 3.481 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCC[C@H]2c2ncccn2)cc1Cl ZINC001231871688 1097872544 /nfs/dbraw/zinc/87/25/44/1097872544.db2.gz POXGBALRAQJEQG-AWEZNQCLSA-N 1 2 303.793 3.481 20 10 DGCDLO OCc1ccc2c(c1)CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910696 1097890894 /nfs/dbraw/zinc/89/08/94/1097890894.db2.gz QYCKVFYSVTXQBK-UHFFFAOYSA-N 1 2 303.789 3.096 20 10 DGCDLO OCc1ccc2c(c1)CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910696 1097890900 /nfs/dbraw/zinc/89/09/00/1097890900.db2.gz QYCKVFYSVTXQBK-UHFFFAOYSA-N 1 2 303.789 3.096 20 10 DGCDLO Oc1cc(C[N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)cc(O)c1O ZINC001233015845 1098204142 /nfs/dbraw/zinc/20/41/42/1098204142.db2.gz GWWNHIUKAVTLFP-CQSZACIVSA-N 1 2 321.323 3.419 20 10 DGCDLO Oc1cc(C[N@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)cc(O)c1O ZINC001233015845 1098204146 /nfs/dbraw/zinc/20/41/46/1098204146.db2.gz GWWNHIUKAVTLFP-CQSZACIVSA-N 1 2 321.323 3.419 20 10 DGCDLO COC(=O)c1cccc(C[N@H+](C)Cc2c(O)ccc(F)c2F)c1 ZINC001233336051 1098293123 /nfs/dbraw/zinc/29/31/23/1098293123.db2.gz WWVKFRYYSNYNQF-UHFFFAOYSA-N 1 2 321.323 3.089 20 10 DGCDLO COC(=O)c1cccc(C[N@@H+](C)Cc2c(O)ccc(F)c2F)c1 ZINC001233336051 1098293127 /nfs/dbraw/zinc/29/31/27/1098293127.db2.gz WWVKFRYYSNYNQF-UHFFFAOYSA-N 1 2 321.323 3.089 20 10 DGCDLO C[C@@H]1C(=O)CC[N@H+](Cc2c(O)ccc(F)c2F)C12CCCC2 ZINC001233336362 1098294633 /nfs/dbraw/zinc/29/46/33/1098294633.db2.gz JJELYBJEPGHTKW-LLVKDONJSA-N 1 2 309.356 3.394 20 10 DGCDLO C[C@@H]1C(=O)CC[N@@H+](Cc2c(O)ccc(F)c2F)C12CCCC2 ZINC001233336362 1098294635 /nfs/dbraw/zinc/29/46/35/1098294635.db2.gz JJELYBJEPGHTKW-LLVKDONJSA-N 1 2 309.356 3.394 20 10 DGCDLO C[N@H+](Cc1cscn1)Cc1cccc(C(F)(F)F)c1O ZINC001233418293 1098324969 /nfs/dbraw/zinc/32/49/69/1098324969.db2.gz ANNVVUODVLFAEQ-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO C[N@@H+](Cc1cscn1)Cc1cccc(C(F)(F)F)c1O ZINC001233418293 1098324976 /nfs/dbraw/zinc/32/49/76/1098324976.db2.gz ANNVVUODVLFAEQ-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO CC(C)[NH+](CCNCc1cc(Cl)cc(F)c1O)C(C)C ZINC001177061043 1098469188 /nfs/dbraw/zinc/46/91/88/1098469188.db2.gz GVQZUTXHVBSNPS-UHFFFAOYSA-N 1 2 302.821 3.393 20 10 DGCDLO CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001179321026 1099070948 /nfs/dbraw/zinc/07/09/48/1099070948.db2.gz OQISAZFQXRGXKV-CHWSQXEVSA-N 1 2 301.789 3.214 20 10 DGCDLO Oc1cccc(F)c1C[N@@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235789096 1099180710 /nfs/dbraw/zinc/18/07/10/1099180710.db2.gz CFRZQFOFOOQFCW-MRXNPFEDSA-N 1 2 320.795 3.331 20 10 DGCDLO Oc1cccc(F)c1C[N@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235789096 1099180714 /nfs/dbraw/zinc/18/07/14/1099180714.db2.gz CFRZQFOFOOQFCW-MRXNPFEDSA-N 1 2 320.795 3.331 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC2(C1)CCCC[NH2+]2 ZINC001235924556 1099260842 /nfs/dbraw/zinc/26/08/42/1099260842.db2.gz UUHIVBIDUIWXPN-UHFFFAOYSA-N 1 2 301.217 3.027 20 10 DGCDLO Nc1ccc2c(c1)C[N@@H+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001236234335 1099488136 /nfs/dbraw/zinc/48/81/36/1099488136.db2.gz OKNYDEUSFBOGMK-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO Nc1ccc2c(c1)C[N@H+](Cc1c(O)ccc(F)c1Cl)CC2 ZINC001236234335 1099488139 /nfs/dbraw/zinc/48/81/39/1099488139.db2.gz OKNYDEUSFBOGMK-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCc3cnccc3C2)c(Cl)c1 ZINC001236797023 1099790610 /nfs/dbraw/zinc/79/06/10/1099790610.db2.gz AXCMDCTWKSDVFR-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCc3cnccc3C2)c(Cl)c1 ZINC001236797023 1099790618 /nfs/dbraw/zinc/79/06/18/1099790618.db2.gz AXCMDCTWKSDVFR-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1ccc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c(O)c1Cl ZINC001236802538 1099797492 /nfs/dbraw/zinc/79/74/92/1099797492.db2.gz SDGVVYPIEQRYNM-BZNIZROVSA-N 1 2 313.825 3.037 20 10 DGCDLO COc1ccc(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)c(O)c1Cl ZINC001236802538 1099797504 /nfs/dbraw/zinc/79/75/04/1099797504.db2.gz SDGVVYPIEQRYNM-BZNIZROVSA-N 1 2 313.825 3.037 20 10 DGCDLO COc1ccc(C[NH+]2CCC(n3ccnc3)CC2)c(O)c1Cl ZINC001236805902 1099799196 /nfs/dbraw/zinc/79/91/96/1099799196.db2.gz HIJHHCJGPYYSRM-UHFFFAOYSA-N 1 2 321.808 3.088 20 10 DGCDLO COc1cc(C)c(C[NH+]2CC(Oc3ccccc3F)C2)c(O)c1 ZINC001236811584 1099804234 /nfs/dbraw/zinc/80/42/34/1099804234.db2.gz SBIHVUJYXIMLCE-UHFFFAOYSA-N 1 2 317.360 3.112 20 10 DGCDLO CC(C)[N@H+](Cc1c(O)ccc(F)c1Cl)C1CCN(C)CC1 ZINC001237128027 1099984627 /nfs/dbraw/zinc/98/46/27/1099984627.db2.gz LKMVRWDYZQCCER-UHFFFAOYSA-N 1 2 314.832 3.489 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCOCC12CCC2 ZINC001237139073 1099988413 /nfs/dbraw/zinc/98/84/13/1099988413.db2.gz CJKLYCKOBMUEJN-UHFFFAOYSA-N 1 2 301.308 3.166 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@H+]1CCOCC12CCC2 ZINC001237139073 1099988417 /nfs/dbraw/zinc/98/84/17/1099988417.db2.gz CJKLYCKOBMUEJN-UHFFFAOYSA-N 1 2 301.308 3.166 20 10 DGCDLO Cc1cccc(O)c1CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001237495210 1100145076 /nfs/dbraw/zinc/14/50/76/1100145076.db2.gz NHBGKXQHIMCKRH-INIZCTEOSA-N 1 2 310.388 3.006 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(n2cccn2)CC1 ZINC001237622207 1100191976 /nfs/dbraw/zinc/19/19/76/1100191976.db2.gz OSQQOTLCUWNAMF-UHFFFAOYSA-N 1 2 309.772 3.218 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1Br ZINC001237681256 1100212432 /nfs/dbraw/zinc/21/24/32/1100212432.db2.gz PZWPVUGEYYYVBX-GAFUQQFSSA-N 1 2 314.198 3.253 20 10 DGCDLO C[N@H+](Cc1cnc2ccccn12)Cc1cc(F)cc(Cl)c1O ZINC001237807471 1100253773 /nfs/dbraw/zinc/25/37/73/1100253773.db2.gz JXTIXUQNRBMDQG-UHFFFAOYSA-N 1 2 319.767 3.464 20 10 DGCDLO C[N@@H+](Cc1cnc2ccccn12)Cc1cc(F)cc(Cl)c1O ZINC001237807471 1100253780 /nfs/dbraw/zinc/25/37/80/1100253780.db2.gz JXTIXUQNRBMDQG-UHFFFAOYSA-N 1 2 319.767 3.464 20 10 DGCDLO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC001205804633 1101562815 /nfs/dbraw/zinc/56/28/15/1101562815.db2.gz NZPLBTOGHMRPNN-SKDRFNHKSA-N 1 2 303.233 3.258 20 10 DGCDLO CC(C)[NH2+]c1ccc(Nc2cc(N)ccc2COCCO)cc1 ZINC001201498290 1102611840 /nfs/dbraw/zinc/61/18/40/1102611840.db2.gz WRVHFLLSBKAKCG-UHFFFAOYSA-N 1 2 315.417 3.342 20 10 DGCDLO CC1(C)C=Cc2c(O)c(C[N@@H+]3Cc4ccncc4C3)ccc2O1 ZINC001249244462 1105256532 /nfs/dbraw/zinc/25/65/32/1105256532.db2.gz HIUREWLQYPSDPZ-UHFFFAOYSA-N 1 2 308.381 3.487 20 10 DGCDLO CC1(C)C=Cc2c(O)c(C[N@H+]3Cc4ccncc4C3)ccc2O1 ZINC001249244462 1105256534 /nfs/dbraw/zinc/25/65/34/1105256534.db2.gz HIUREWLQYPSDPZ-UHFFFAOYSA-N 1 2 308.381 3.487 20 10 DGCDLO Cc1cccc(CC[NH2+]Cc2cccc(Br)c2O)n1 ZINC000689445505 1105413746 /nfs/dbraw/zinc/41/37/46/1105413746.db2.gz PRSDYAKHJYAYSQ-UHFFFAOYSA-N 1 2 321.218 3.190 20 10 DGCDLO Cc1cc(C[N@H+](C)Cc2ccon2)c(O)cc1Br ZINC001250133176 1105450305 /nfs/dbraw/zinc/45/03/05/1105450305.db2.gz JNBPSQPNHZSOMN-UHFFFAOYSA-N 1 2 311.179 3.083 20 10 DGCDLO Cc1cc(C[N@@H+](C)Cc2ccon2)c(O)cc1Br ZINC001250133176 1105450307 /nfs/dbraw/zinc/45/03/07/1105450307.db2.gz JNBPSQPNHZSOMN-UHFFFAOYSA-N 1 2 311.179 3.083 20 10 DGCDLO C[C@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001308250420 1105843286 /nfs/dbraw/zinc/84/32/86/1105843286.db2.gz RTLHKTNQVPVXHO-SSDOTTSWSA-N 1 2 315.694 3.242 20 10 DGCDLO c1ccn(-c2ccc(-c3nnc(CCc4c[nH]c[nH+]4)o3)cc2)c1 ZINC001256951932 1106515459 /nfs/dbraw/zinc/51/54/59/1106515459.db2.gz VBYWORNVOASGMC-UHFFFAOYSA-N 1 2 305.341 3.036 20 10 DGCDLO COc1cc(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c(O)cc1C ZINC001323286013 1107914813 /nfs/dbraw/zinc/91/48/13/1107914813.db2.gz OUAYBWVMIGJDMF-UHFFFAOYSA-N 1 2 314.341 3.133 20 10 DGCDLO COc1cc(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c(O)cc1C ZINC001323286013 1107914824 /nfs/dbraw/zinc/91/48/24/1107914824.db2.gz OUAYBWVMIGJDMF-UHFFFAOYSA-N 1 2 314.341 3.133 20 10 DGCDLO CCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)OCC ZINC001308579879 1111447611 /nfs/dbraw/zinc/44/76/11/1111447611.db2.gz JKNBCZWJKBNPIB-FPLPWBNLSA-N 1 2 304.434 3.041 20 10 DGCDLO CCC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)OCC ZINC001308579879 1111447613 /nfs/dbraw/zinc/44/76/13/1111447613.db2.gz JKNBCZWJKBNPIB-FPLPWBNLSA-N 1 2 304.434 3.041 20 10 DGCDLO Cn1cc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)c(Cl)n1 ZINC001308749215 1111469993 /nfs/dbraw/zinc/46/99/93/1111469993.db2.gz ZJLNVKJFJBAFSY-UHFFFAOYSA-N 1 2 318.852 3.306 20 10 DGCDLO Cn1cc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)c(Cl)n1 ZINC001308749215 1111469996 /nfs/dbraw/zinc/46/99/96/1111469996.db2.gz ZJLNVKJFJBAFSY-UHFFFAOYSA-N 1 2 318.852 3.306 20 10 DGCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]C2(c3ccccc3F)CC2)c1 ZINC000076766572 185039616 /nfs/dbraw/zinc/03/96/16/185039616.db2.gz SPVBPBFXQVKWOP-UHFFFAOYSA-N 1 2 302.305 3.218 20 10 DGCDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000072517868 191185730 /nfs/dbraw/zinc/18/57/30/191185730.db2.gz RBXMYLYVELLWSN-CYBMUJFWSA-N 1 2 319.405 3.141 20 10 DGCDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000072517868 191185733 /nfs/dbraw/zinc/18/57/33/191185733.db2.gz RBXMYLYVELLWSN-CYBMUJFWSA-N 1 2 319.405 3.141 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2cccc(Cl)c2O)ccc1O ZINC000179665219 432066427 /nfs/dbraw/zinc/06/64/27/432066427.db2.gz MWEALESGRMBGEA-UHFFFAOYSA-N 1 2 307.777 3.392 20 10 DGCDLO C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(Cl)c(Cl)c1O ZINC000287423188 299277798 /nfs/dbraw/zinc/27/77/98/299277798.db2.gz SKLPDLMGCNQLGQ-VIFPVBQESA-N 1 2 322.232 3.137 20 10 DGCDLO Cc1ccc([C@@H]2COCC[N@@H+]2Cc2cc(C)c(C)cc2O)o1 ZINC000093459789 193255484 /nfs/dbraw/zinc/25/54/84/193255484.db2.gz SDZRAKLMHJDSEM-INIZCTEOSA-N 1 2 301.386 3.484 20 10 DGCDLO Cc1ccc([C@@H]2COCC[N@H+]2Cc2cc(C)c(C)cc2O)o1 ZINC000093459789 193255485 /nfs/dbraw/zinc/25/54/85/193255485.db2.gz SDZRAKLMHJDSEM-INIZCTEOSA-N 1 2 301.386 3.484 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccc(Cl)c(Cl)c1O ZINC000276634593 296152403 /nfs/dbraw/zinc/15/24/03/296152403.db2.gz OBZRRQHXPMKTBH-SFYZADRCSA-N 1 2 315.204 3.239 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccncc1 ZINC000273588292 130141131 /nfs/dbraw/zinc/14/11/31/130141131.db2.gz OKANEGXOUXJABF-ABAIWWIYSA-N 1 2 301.346 3.497 20 10 DGCDLO COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1 ZINC000273610912 130144289 /nfs/dbraw/zinc/14/42/89/130144289.db2.gz VTVFBHRIDKKGAY-RISCZKNCSA-N 1 2 320.345 3.240 20 10 DGCDLO CCS[C@@H](C)c1noc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000137278578 432174884 /nfs/dbraw/zinc/17/48/84/432174884.db2.gz QJSXUVAARCCHMY-NSHDSACASA-N 1 2 307.419 3.221 20 10 DGCDLO CCS[C@@H](C)c1noc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000137278578 432174888 /nfs/dbraw/zinc/17/48/88/432174888.db2.gz QJSXUVAARCCHMY-NSHDSACASA-N 1 2 307.419 3.221 20 10 DGCDLO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1cccc(Cl)c1O ZINC000287102641 288049096 /nfs/dbraw/zinc/04/90/96/288049096.db2.gz QDNWWZOOCFJJKL-CJNGLKHVSA-N 1 2 324.852 3.345 20 10 DGCDLO COc1ccc(N(C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1F ZINC000121752930 431805540 /nfs/dbraw/zinc/80/55/40/431805540.db2.gz OKMHFKNCYQKQIA-UHFFFAOYSA-N 1 2 312.348 3.051 20 10 DGCDLO C[N@H+](C/C(Cl)=C/Cl)Cc1ccc(N2CCOCC2)cc1 ZINC000121841773 431806410 /nfs/dbraw/zinc/80/64/10/431806410.db2.gz TVGGXYMVLXNAQN-UVTDQMKNSA-N 1 2 315.244 3.274 20 10 DGCDLO C[N@@H+](C/C(Cl)=C/Cl)Cc1ccc(N2CCOCC2)cc1 ZINC000121841773 431806417 /nfs/dbraw/zinc/80/64/17/431806417.db2.gz TVGGXYMVLXNAQN-UVTDQMKNSA-N 1 2 315.244 3.274 20 10 DGCDLO Cc1ccc(O)c(C[N@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000271181592 432346142 /nfs/dbraw/zinc/34/61/42/432346142.db2.gz ZOOXWGUMLTXXMO-UHFFFAOYSA-N 1 2 313.323 3.091 20 10 DGCDLO Cc1ccc(O)c(C[N@@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000271181592 432346146 /nfs/dbraw/zinc/34/61/46/432346146.db2.gz ZOOXWGUMLTXXMO-UHFFFAOYSA-N 1 2 313.323 3.091 20 10 DGCDLO CC1(CO)CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000184073780 432351833 /nfs/dbraw/zinc/35/18/33/432351833.db2.gz USGSBMXMIPWHHB-UHFFFAOYSA-N 1 2 304.217 3.293 20 10 DGCDLO COC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1ccco1 ZINC000184561350 432406443 /nfs/dbraw/zinc/40/64/43/432406443.db2.gz NDMVYEUGSFUXDR-AWEZNQCLSA-N 1 2 323.776 3.319 20 10 DGCDLO C[C@@](O)(C[NH2+]Cc1cccc(Cl)c1O)c1ccc(F)cc1 ZINC000271801712 432425452 /nfs/dbraw/zinc/42/54/52/432425452.db2.gz JBOTYVGKNHNZBL-MRXNPFEDSA-N 1 2 309.768 3.182 20 10 DGCDLO COCCOCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185136962 432470283 /nfs/dbraw/zinc/47/02/83/432470283.db2.gz UHSYTJPWVITHRV-VIFPVBQESA-N 1 2 308.205 3.013 20 10 DGCDLO C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186541239 432605041 /nfs/dbraw/zinc/60/50/41/432605041.db2.gz VYZVAWLCCSCRKI-QQJLPTOTSA-N 1 2 310.246 3.117 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186487609 432600893 /nfs/dbraw/zinc/60/08/93/432600893.db2.gz BFXVPOGZPWRVDM-UHFFFAOYSA-N 1 2 313.850 3.144 20 10 DGCDLO COc1cc(F)cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273459254 432601248 /nfs/dbraw/zinc/60/12/48/432601248.db2.gz HSXGBFGYDUWUKM-SNVBAGLBSA-N 1 2 320.320 3.299 20 10 DGCDLO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)cc1O ZINC000187688426 432676476 /nfs/dbraw/zinc/67/64/76/432676476.db2.gz YNBMHKSULPLPKO-VIFPVBQESA-N 1 2 309.312 3.235 20 10 DGCDLO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187805587 432686531 /nfs/dbraw/zinc/68/65/31/432686531.db2.gz RYFVRBFAIPIMIO-BMIGLBTASA-N 1 2 301.377 3.364 20 10 DGCDLO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187798235 432686638 /nfs/dbraw/zinc/68/66/38/432686638.db2.gz HFQZIYWHHRVICV-IAQYHMDHSA-N 1 2 307.340 3.363 20 10 DGCDLO CC[C@H]([NH2+]CCc1nnc(C)s1)c1cccc(Cl)c1O ZINC000289926891 432978126 /nfs/dbraw/zinc/97/81/26/432978126.db2.gz VFSLOWYKRFCEOE-LBPRGKRZSA-N 1 2 311.838 3.489 20 10 DGCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)no1 ZINC000290113707 432994801 /nfs/dbraw/zinc/99/48/01/432994801.db2.gz IWZZQKZJWYZALU-RYUDHWBXSA-N 1 2 305.378 3.032 20 10 DGCDLO COc1ccc([NH+]2CCC(Nc3nc(C(C)C)no3)CC2)cc1 ZINC000301300014 433496521 /nfs/dbraw/zinc/49/65/21/433496521.db2.gz ULZNINHSFUEDAC-UHFFFAOYSA-N 1 2 316.405 3.283 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2O)no1 ZINC000376167897 433681834 /nfs/dbraw/zinc/68/18/34/433681834.db2.gz UMIFWNZQQIYUDE-ZDUSSCGKSA-N 1 2 305.353 3.204 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2O)no1 ZINC000376167897 433681842 /nfs/dbraw/zinc/68/18/42/433681842.db2.gz UMIFWNZQQIYUDE-ZDUSSCGKSA-N 1 2 305.353 3.204 20 10 DGCDLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(N(C)C)cc1 ZINC000302463569 433824977 /nfs/dbraw/zinc/82/49/77/433824977.db2.gz VNAXIKJOKSHSOD-GFCCVEGCSA-N 1 2 307.401 3.451 20 10 DGCDLO CC[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc(Cl)c1O ZINC000376861887 433833481 /nfs/dbraw/zinc/83/34/81/433833481.db2.gz VKPWYYGIFNNLNK-BXUZGUMPSA-N 1 2 305.809 3.367 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000293933976 433932903 /nfs/dbraw/zinc/93/29/03/433932903.db2.gz HQSWKCFHILWABN-IAGOWNOFSA-N 1 2 323.820 3.198 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000293933976 433932914 /nfs/dbraw/zinc/93/29/14/433932914.db2.gz HQSWKCFHILWABN-IAGOWNOFSA-N 1 2 323.820 3.198 20 10 DGCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@H](O)Cc1ccccc1 ZINC000294076532 433988312 /nfs/dbraw/zinc/98/83/12/433988312.db2.gz YTNFCJFASWKAQB-OAHLLOKOSA-N 1 2 305.805 3.081 20 10 DGCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@H](O)Cc1ccccc1 ZINC000294076532 433988322 /nfs/dbraw/zinc/98/83/22/433988322.db2.gz YTNFCJFASWKAQB-OAHLLOKOSA-N 1 2 305.805 3.081 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2O)no1 ZINC000378442585 434184337 /nfs/dbraw/zinc/18/43/37/434184337.db2.gz KEVBSHQDRRDFLN-AWEZNQCLSA-N 1 2 301.390 3.373 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@H+]2Cc2cccc(C)c2O)no1 ZINC000378442585 434184346 /nfs/dbraw/zinc/18/43/46/434184346.db2.gz KEVBSHQDRRDFLN-AWEZNQCLSA-N 1 2 301.390 3.373 20 10 DGCDLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000364069015 434223220 /nfs/dbraw/zinc/22/32/20/434223220.db2.gz FMEKBIJBXFZNBA-AWEZNQCLSA-N 1 2 322.836 3.023 20 10 DGCDLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000364069015 434223226 /nfs/dbraw/zinc/22/32/26/434223226.db2.gz FMEKBIJBXFZNBA-AWEZNQCLSA-N 1 2 322.836 3.023 20 10 DGCDLO CC[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1cccc(Cl)c1O ZINC000286894175 434298602 /nfs/dbraw/zinc/29/86/02/434298602.db2.gz DEWOUEMGUXMJDM-MISXGVKJSA-N 1 2 311.809 3.428 20 10 DGCDLO Cc1cnn([C@@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)c1 ZINC000365623120 434302074 /nfs/dbraw/zinc/30/20/74/434302074.db2.gz PSVBGVWCNWDFGR-LLVKDONJSA-N 1 2 309.772 3.137 20 10 DGCDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)c1 ZINC000365623120 434302085 /nfs/dbraw/zinc/30/20/85/434302085.db2.gz PSVBGVWCNWDFGR-LLVKDONJSA-N 1 2 309.772 3.137 20 10 DGCDLO CC[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc(Cl)c1O ZINC000367567674 434550858 /nfs/dbraw/zinc/55/08/58/434550858.db2.gz UZJORKSKAPNKGF-SMDDNHRTSA-N 1 2 305.809 3.367 20 10 DGCDLO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(F)c(F)c1O ZINC000187732147 333236971 /nfs/dbraw/zinc/23/69/71/333236971.db2.gz PCCUHWDRGKKCFL-RFAUZJTJSA-N 1 2 313.369 3.290 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000278403391 334096084 /nfs/dbraw/zinc/09/60/84/334096084.db2.gz OPBBWOZGMKOOCK-MFKMUULPSA-N 1 2 323.742 3.181 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000278403391 334096085 /nfs/dbraw/zinc/09/60/85/334096085.db2.gz OPBBWOZGMKOOCK-MFKMUULPSA-N 1 2 323.742 3.181 20 10 DGCDLO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(F)c(F)c1O ZINC000191213249 525536036 /nfs/dbraw/zinc/53/60/36/525536036.db2.gz WIFFEVQBARFODK-SECBINFHSA-N 1 2 307.296 3.250 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000158108129 526327522 /nfs/dbraw/zinc/32/75/22/526327522.db2.gz RCJRRUSWKLLTSG-JTQLQIEISA-N 1 2 322.758 3.019 20 10 DGCDLO Cc1nonc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000265673180 526701454 /nfs/dbraw/zinc/70/14/54/526701454.db2.gz YBVPSSGXXTYKTD-UHFFFAOYSA-N 1 2 300.406 3.000 20 10 DGCDLO Cc1nonc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000265673180 526701461 /nfs/dbraw/zinc/70/14/61/526701461.db2.gz YBVPSSGXXTYKTD-UHFFFAOYSA-N 1 2 300.406 3.000 20 10 DGCDLO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1=CC(=O)CS1 ZINC000731863786 574560256 /nfs/dbraw/zinc/56/02/56/574560256.db2.gz DZGCLPPOXTYCJL-ZDUSSCGKSA-N 1 2 320.414 3.004 20 10 DGCDLO Cc1cc(NCc2ccc(N(C)C)c(F)c2)nc(C2CC2)[nH+]1 ZINC000734835402 574680123 /nfs/dbraw/zinc/68/01/23/574680123.db2.gz VQWRTEQGWPJUBS-UHFFFAOYSA-N 1 2 300.381 3.480 20 10 DGCDLO CCN(C)c1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc1 ZINC000741754670 574968754 /nfs/dbraw/zinc/96/87/54/574968754.db2.gz VADGSJUOQLSZRP-UHFFFAOYSA-N 1 2 314.433 3.393 20 10 DGCDLO COc1c(C)c[nH+]c(CNC(=S)Nc2ccc(F)cc2)c1C ZINC000747618480 575527609 /nfs/dbraw/zinc/52/76/09/575527609.db2.gz DUSCWVPSZVRZIP-UHFFFAOYSA-N 1 2 319.405 3.333 20 10 DGCDLO CCn1cc(C[N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)cn1 ZINC000750048115 575699872 /nfs/dbraw/zinc/69/98/72/575699872.db2.gz YYASHLDFASFBAR-UHFFFAOYSA-N 1 2 321.808 3.097 20 10 DGCDLO CCn1cc(C[N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)cn1 ZINC000750048115 575699874 /nfs/dbraw/zinc/69/98/74/575699874.db2.gz YYASHLDFASFBAR-UHFFFAOYSA-N 1 2 321.808 3.097 20 10 DGCDLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)o1 ZINC000725847309 575929178 /nfs/dbraw/zinc/92/91/78/575929178.db2.gz ZQHVJGXOARJMGG-QMTHXVAHSA-N 1 2 302.330 3.307 20 10 DGCDLO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cccc(Cl)c1O ZINC000806128845 617661583 /nfs/dbraw/zinc/66/15/83/617661583.db2.gz POYMRLPUMZGQDB-OAHLLOKOSA-N 1 2 318.804 3.385 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000894793795 618462365 /nfs/dbraw/zinc/46/23/65/618462365.db2.gz IWQQSMGBEFODSE-GDBMZVCRSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000894793795 618462368 /nfs/dbraw/zinc/46/23/68/618462368.db2.gz IWQQSMGBEFODSE-GDBMZVCRSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840956729 618630650 /nfs/dbraw/zinc/63/06/50/618630650.db2.gz CSLURHRDQUVURS-ZBFHGGJFSA-N 1 2 321.779 3.493 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840956729 618630652 /nfs/dbraw/zinc/63/06/52/618630652.db2.gz CSLURHRDQUVURS-ZBFHGGJFSA-N 1 2 321.779 3.493 20 10 DGCDLO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2c2noc(C)n2)c1O ZINC000893968880 618685035 /nfs/dbraw/zinc/68/50/35/618685035.db2.gz NAEZECOZJHZNIK-AWEZNQCLSA-N 1 2 317.389 3.128 20 10 DGCDLO COc1cc(C)cc(C[N@H+]2CCCC[C@H]2c2noc(C)n2)c1O ZINC000893968880 618685037 /nfs/dbraw/zinc/68/50/37/618685037.db2.gz NAEZECOZJHZNIK-AWEZNQCLSA-N 1 2 317.389 3.128 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000895513291 618794064 /nfs/dbraw/zinc/79/40/64/618794064.db2.gz XPEAXADAJHYZTL-KDYLLFBJSA-N 1 2 303.789 3.185 20 10 DGCDLO COc1ccc(C[N@H+](CCO)Cc2cccc(Cl)c2O)cc1 ZINC000895709693 618822445 /nfs/dbraw/zinc/82/24/45/618822445.db2.gz BNKJJJGWDYILMH-UHFFFAOYSA-N 1 2 321.804 3.049 20 10 DGCDLO COc1ccc(C[N@@H+](CCO)Cc2cccc(Cl)c2O)cc1 ZINC000895709693 618822447 /nfs/dbraw/zinc/82/24/47/618822447.db2.gz BNKJJJGWDYILMH-UHFFFAOYSA-N 1 2 321.804 3.049 20 10 DGCDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCc1c(O)cccc1F ZINC000895832413 618839118 /nfs/dbraw/zinc/83/91/18/618839118.db2.gz GNZPUJONSWYVAJ-UHFFFAOYSA-N 1 2 315.352 3.038 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000896451747 618912901 /nfs/dbraw/zinc/91/29/01/618912901.db2.gz HLSBXQUARUKZQP-RZDIXWSQSA-N 1 2 317.816 3.228 20 10 DGCDLO Cn1ccc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000896492546 618918394 /nfs/dbraw/zinc/91/83/94/618918394.db2.gz FCHJIHIZHLLZOI-LBPRGKRZSA-N 1 2 305.809 3.159 20 10 DGCDLO Cn1ccc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000896492546 618918395 /nfs/dbraw/zinc/91/83/95/618918395.db2.gz FCHJIHIZHLLZOI-LBPRGKRZSA-N 1 2 305.809 3.159 20 10 DGCDLO C[C@H](Cc1cccnc1)[NH2+]Cc1cccc(Br)c1O ZINC000897969442 619200628 /nfs/dbraw/zinc/20/06/28/619200628.db2.gz JQUCICIDVUZRJF-LLVKDONJSA-N 1 2 321.218 3.271 20 10 DGCDLO COc1cc(C[C@H](C)[NH2+]Cc2cccc(Cl)c2O)ccn1 ZINC000898218411 619222390 /nfs/dbraw/zinc/22/23/90/619222390.db2.gz GONUCAZLHUIUPQ-NSHDSACASA-N 1 2 306.793 3.170 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000898215586 619222563 /nfs/dbraw/zinc/22/25/63/619222563.db2.gz OFOAHAKJRNMTOX-AWEZNQCLSA-N 1 2 302.805 3.478 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CCCN(CC)C1=O)c1cccc(Cl)c1O ZINC000903388223 619770149 /nfs/dbraw/zinc/77/01/49/619770149.db2.gz LYQLPJZYPUJOLT-KBPBESRZSA-N 1 2 310.825 3.097 20 10 DGCDLO COC[C@H]1CCCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000768539912 620880676 /nfs/dbraw/zinc/88/06/76/620880676.db2.gz DVHIHPVNNVVPSJ-NSHDSACASA-N 1 2 301.789 3.433 20 10 DGCDLO COC[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000768539912 620880680 /nfs/dbraw/zinc/88/06/80/620880680.db2.gz DVHIHPVNNVVPSJ-NSHDSACASA-N 1 2 301.789 3.433 20 10 DGCDLO c1ccc(-c2nnc(C[NH2+]Cc3ccc4c(c3)CCCO4)[nH]2)cc1 ZINC000921738932 620942372 /nfs/dbraw/zinc/94/23/72/620942372.db2.gz ILLWGSBSAXGLFR-UHFFFAOYSA-N 1 2 320.396 3.087 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000839192661 621347619 /nfs/dbraw/zinc/34/76/19/621347619.db2.gz OTCKWBWDHRNLCU-GOEBONIOSA-N 1 2 309.837 3.419 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000839192661 621347623 /nfs/dbraw/zinc/34/76/23/621347623.db2.gz OTCKWBWDHRNLCU-GOEBONIOSA-N 1 2 309.837 3.419 20 10 DGCDLO Cc1nnc([C@H](C)[N@H+](C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000839459529 621378839 /nfs/dbraw/zinc/37/88/39/621378839.db2.gz NGYMKMLQLVRQFB-AWEZNQCLSA-N 1 2 313.449 3.296 20 10 DGCDLO Cc1nnc([C@H](C)[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000839459529 621378841 /nfs/dbraw/zinc/37/88/41/621378841.db2.gz NGYMKMLQLVRQFB-AWEZNQCLSA-N 1 2 313.449 3.296 20 10 DGCDLO COc1ccc2c(c1)CCC[N@H+]2CC1CCC2(CC1)OCCO2 ZINC000753698585 621460721 /nfs/dbraw/zinc/46/07/21/621460721.db2.gz ZWLZSXRKIGBNTN-UHFFFAOYSA-N 1 2 317.429 3.381 20 10 DGCDLO COc1ccc2c(c1)CCC[N@@H+]2CC1CCC2(CC1)OCCO2 ZINC000753698585 621460723 /nfs/dbraw/zinc/46/07/23/621460723.db2.gz ZWLZSXRKIGBNTN-UHFFFAOYSA-N 1 2 317.429 3.381 20 10 DGCDLO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000862435738 621589067 /nfs/dbraw/zinc/58/90/67/621589067.db2.gz JSDANOBVLPUBAK-UHFFFAOYSA-N 1 2 319.714 3.088 20 10 DGCDLO COc1cccc2c1C[N@H+](Cc1ccc(N(C)C)c(F)c1)C2 ZINC000862528986 621597052 /nfs/dbraw/zinc/59/70/52/621597052.db2.gz GIHLKZUJKLIQRR-UHFFFAOYSA-N 1 2 300.377 3.416 20 10 DGCDLO COc1cccc2c1C[N@@H+](Cc1ccc(N(C)C)c(F)c1)C2 ZINC000862528986 621597055 /nfs/dbraw/zinc/59/70/55/621597055.db2.gz GIHLKZUJKLIQRR-UHFFFAOYSA-N 1 2 300.377 3.416 20 10 DGCDLO CC(C)C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N(C)C ZINC000756400002 621635531 /nfs/dbraw/zinc/63/55/31/621635531.db2.gz SMDNPDMJRKSLTI-AAEUAGOBSA-N 1 2 300.393 3.297 20 10 DGCDLO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000756455514 621639707 /nfs/dbraw/zinc/63/97/07/621639707.db2.gz DDOVFEVWZVTKGB-GXTWGEPZSA-N 1 2 321.367 3.172 20 10 DGCDLO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(F)cc(F)c1O ZINC000756503149 621642989 /nfs/dbraw/zinc/64/29/89/621642989.db2.gz LFZXZRNHJMYVJK-SECBINFHSA-N 1 2 320.330 3.051 20 10 DGCDLO Cc1ccc2nc(C[NH2+][C@@H](C)c3cc(F)cc(F)c3O)cn2c1 ZINC000756533097 621645333 /nfs/dbraw/zinc/64/53/33/621645333.db2.gz GUOYPHADIGWSAS-NSHDSACASA-N 1 2 317.339 3.477 20 10 DGCDLO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(F)cc(F)c1O ZINC000756575803 621650681 /nfs/dbraw/zinc/65/06/81/621650681.db2.gz QLDACWNLZIFUSO-LLVKDONJSA-N 1 2 320.339 3.350 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756605674 621652043 /nfs/dbraw/zinc/65/20/43/621652043.db2.gz ULBZUUQNYVEZAD-TZMCWYRMSA-N 1 2 321.367 3.487 20 10 DGCDLO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756768977 621663434 /nfs/dbraw/zinc/66/34/34/621663434.db2.gz CGQRPFFYBUEEQF-BONVTDFDSA-N 1 2 301.377 3.364 20 10 DGCDLO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1O ZINC000756786226 621664352 /nfs/dbraw/zinc/66/43/52/621664352.db2.gz ZHNQEVXDWYBWHF-SNVBAGLBSA-N 1 2 322.311 3.472 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Br)cc(F)c1O ZINC000756817366 621666764 /nfs/dbraw/zinc/66/67/64/621666764.db2.gz FJYRRJKDZFFNBB-SFYZADRCSA-N 1 2 320.202 3.104 20 10 DGCDLO COCC1([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000756849487 621668293 /nfs/dbraw/zinc/66/82/93/621668293.db2.gz BGHSZRVTYJWJDN-QMMMGPOBSA-N 1 2 318.186 3.123 20 10 DGCDLO C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863544773 621682544 /nfs/dbraw/zinc/68/25/44/621682544.db2.gz AQHCDSIKWIQGHJ-UTLUCORTSA-N 1 2 303.233 3.490 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1F ZINC000866247980 622075410 /nfs/dbraw/zinc/07/54/10/622075410.db2.gz IWBCCIRSNACPTB-MAUKXSAKSA-N 1 2 318.367 3.453 20 10 DGCDLO Oc1cccc2c1C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C2 ZINC000763477180 622147533 /nfs/dbraw/zinc/14/75/33/622147533.db2.gz DPTVJZBCAPFPBI-LBPRGKRZSA-N 1 2 307.752 3.147 20 10 DGCDLO COc1cccc(O)c1C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000769527273 622537949 /nfs/dbraw/zinc/53/79/49/622537949.db2.gz DLKQFYOLIOEXOY-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1cccc(O)c1C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000769527273 622537952 /nfs/dbraw/zinc/53/79/52/622537952.db2.gz DLKQFYOLIOEXOY-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO CCC1(CC)C[N@H+](Cc2c(O)cccc2Cl)CC[S@]1=O ZINC000769558117 622540975 /nfs/dbraw/zinc/54/09/75/622540975.db2.gz SMPCPCJRHRHNTJ-HXUWFJFHSA-N 1 2 315.866 3.169 20 10 DGCDLO CCC1(CC)C[N@@H+](Cc2c(O)cccc2Cl)CC[S@]1=O ZINC000769558117 622540978 /nfs/dbraw/zinc/54/09/78/622540978.db2.gz SMPCPCJRHRHNTJ-HXUWFJFHSA-N 1 2 315.866 3.169 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775362618 623260138 /nfs/dbraw/zinc/26/01/38/623260138.db2.gz IZVSOGJNZGNVTA-GFCCVEGCSA-N 1 2 315.373 3.217 20 10 DGCDLO CC(C)CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775647920 623303655 /nfs/dbraw/zinc/30/36/55/623303655.db2.gz HSCSFNHTLMIXPL-UHFFFAOYSA-N 1 2 324.852 3.030 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CN2CCCC2)c1O ZINC000775665104 623308590 /nfs/dbraw/zinc/30/85/90/623308590.db2.gz XUENMYJBFBTQPT-INIZCTEOSA-N 1 2 308.853 3.414 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2CN2CCCC2)c1O ZINC000775665104 623308594 /nfs/dbraw/zinc/30/85/94/623308594.db2.gz XUENMYJBFBTQPT-INIZCTEOSA-N 1 2 308.853 3.414 20 10 DGCDLO Oc1c(Cl)cccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000775725087 623319223 /nfs/dbraw/zinc/31/92/23/623319223.db2.gz HHSIXEWKLLXVOB-ZDUSSCGKSA-N 1 2 323.742 3.181 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000775740317 623321806 /nfs/dbraw/zinc/32/18/06/623321806.db2.gz UOZUCRCNKUMEIE-RYUDHWBXSA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000775740317 623321810 /nfs/dbraw/zinc/32/18/10/623321810.db2.gz UOZUCRCNKUMEIE-RYUDHWBXSA-N 1 2 313.800 3.433 20 10 DGCDLO CCOc1cccc(CNc2ccc(N3CCCC3)c[nH+]2)c1O ZINC000776036203 623368375 /nfs/dbraw/zinc/36/83/75/623368375.db2.gz CLZURPVTUHLBKO-UHFFFAOYSA-N 1 2 313.401 3.398 20 10 DGCDLO C[C@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000776175482 623390285 /nfs/dbraw/zinc/39/02/85/623390285.db2.gz RRRLMRCAGZTKMI-INIZCTEOSA-N 1 2 309.768 3.182 20 10 DGCDLO CO[C@@]1(C)C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1(C)C ZINC000776220057 623398431 /nfs/dbraw/zinc/39/84/31/623398431.db2.gz JTZKJLUIMBELTR-DOMZBBRYSA-N 1 2 301.789 3.478 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1cc(F)cc(F)c1O ZINC000790495875 625661152 /nfs/dbraw/zinc/66/11/52/625661152.db2.gz CZEMILOMOBHVDA-XHDPSFHLSA-N 1 2 312.404 3.441 20 10 DGCDLO Oc1c(F)c(F)ccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000876807427 623711089 /nfs/dbraw/zinc/71/10/89/623711089.db2.gz DHOHSNVILXEOQE-JSGCOSHPSA-N 1 2 323.339 3.352 20 10 DGCDLO Oc1c(F)c(F)ccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000876807427 623711096 /nfs/dbraw/zinc/71/10/96/623711096.db2.gz DHOHSNVILXEOQE-JSGCOSHPSA-N 1 2 323.339 3.352 20 10 DGCDLO CC[C@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000779210994 623743210 /nfs/dbraw/zinc/74/32/10/623743210.db2.gz XVQLHJQYMUQLNY-HNNXBMFYSA-N 1 2 301.789 3.169 20 10 DGCDLO CC[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000779210994 623743212 /nfs/dbraw/zinc/74/32/12/623743212.db2.gz XVQLHJQYMUQLNY-HNNXBMFYSA-N 1 2 301.789 3.169 20 10 DGCDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876956086 623754023 /nfs/dbraw/zinc/75/40/23/623754023.db2.gz GHTWHLYYAMKNOG-CYBMUJFWSA-N 1 2 309.360 3.071 20 10 DGCDLO C[C@H](O)[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccccc1F ZINC000877611747 623961713 /nfs/dbraw/zinc/96/17/13/623961713.db2.gz ZAXYVPRNGBDDCP-BJOHPYRUSA-N 1 2 311.303 3.021 20 10 DGCDLO COc1cc(F)c(C[N@@H+]2Cc3cccc(O)c3C2)cc1OC ZINC000877702527 623997406 /nfs/dbraw/zinc/99/74/06/623997406.db2.gz AFNUGEXQKQBLDZ-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO COc1cc(F)c(C[N@H+]2Cc3cccc(O)c3C2)cc1OC ZINC000877702527 623997411 /nfs/dbraw/zinc/99/74/11/623997411.db2.gz AFNUGEXQKQBLDZ-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)CCO1 ZINC000781896692 624166850 /nfs/dbraw/zinc/16/68/50/624166850.db2.gz MHZLNPLZXSLCOL-LBPRGKRZSA-N 1 2 314.223 3.074 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)CCO1 ZINC000781896692 624166851 /nfs/dbraw/zinc/16/68/51/624166851.db2.gz MHZLNPLZXSLCOL-LBPRGKRZSA-N 1 2 314.223 3.074 20 10 DGCDLO c1c[nH]c([C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc2)n1 ZINC000783238892 624329141 /nfs/dbraw/zinc/32/91/41/624329141.db2.gz UQLJTLXHMNVDMW-GOSISDBHSA-N 1 2 305.381 3.224 20 10 DGCDLO Cc1nnc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)s1 ZINC000788736527 625255563 /nfs/dbraw/zinc/25/55/63/625255563.db2.gz VMCSFUDHXKPVOJ-SSDOTTSWSA-N 1 2 317.336 3.422 20 10 DGCDLO CN(C)C1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCCC1 ZINC000790947595 625720554 /nfs/dbraw/zinc/72/05/54/625720554.db2.gz TXEWPQVSZOBIPW-UHFFFAOYSA-N 1 2 300.805 3.149 20 10 DGCDLO Cc1ccn2cc(C[NH2+]Cc3c(O)ccc(Cl)c3F)nc2c1 ZINC000790959995 625723380 /nfs/dbraw/zinc/72/33/80/625723380.db2.gz QZQYTSLOGNOAJV-UHFFFAOYSA-N 1 2 319.767 3.431 20 10 DGCDLO Cc1nnc([C@H](C)[NH2+]Cc2c(O)ccc(Cl)c2F)s1 ZINC000790986245 625731471 /nfs/dbraw/zinc/73/14/71/625731471.db2.gz KPENUTJAGSDZOU-LURJTMIESA-N 1 2 301.774 3.195 20 10 DGCDLO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000882978757 625882485 /nfs/dbraw/zinc/88/24/85/625882485.db2.gz AUOLLVNJZSRPPV-NSHDSACASA-N 1 2 307.340 3.487 20 10 DGCDLO CCN(C)c1ccccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882988454 625887267 /nfs/dbraw/zinc/88/72/67/625887267.db2.gz QIPFYSPNGCJZDX-UHFFFAOYSA-N 1 2 306.356 3.416 20 10 DGCDLO CN1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@H]1c1ccccc1 ZINC000883077302 625918396 /nfs/dbraw/zinc/91/83/96/625918396.db2.gz FOCHUTZDJPVNJB-DLBZAZTESA-N 1 2 318.367 3.205 20 10 DGCDLO C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000799732129 626325748 /nfs/dbraw/zinc/32/57/48/626325748.db2.gz VKAAVDOJNYLGSX-DOMZBBRYSA-N 1 2 321.367 3.315 20 10 DGCDLO CC[C@H]([NH2+]CCCN1CCCCC1=O)c1cccc(Cl)c1O ZINC000806138644 626701171 /nfs/dbraw/zinc/70/11/71/626701171.db2.gz YQONCNVUGPABEE-HNNXBMFYSA-N 1 2 324.852 3.489 20 10 DGCDLO COc1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1O ZINC000809739274 626943929 /nfs/dbraw/zinc/94/39/29/626943929.db2.gz FCKLQTUSUHXDKH-UHFFFAOYSA-N 1 2 311.740 3.189 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1c(O)cccc1F ZINC000886500451 627153561 /nfs/dbraw/zinc/15/35/61/627153561.db2.gz WPOVCNZZINCYFJ-NEPJUHHUSA-N 1 2 318.396 3.261 20 10 DGCDLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1c(O)cccc1F ZINC000886547887 627160999 /nfs/dbraw/zinc/16/09/99/627160999.db2.gz SZDWDYZZULCIBA-ZANVPECISA-N 1 2 311.303 3.194 20 10 DGCDLO c1cc(N2CCCC2)ccc1CNc1cc(NC2CC2)[nH+]cn1 ZINC000840244198 627342543 /nfs/dbraw/zinc/34/25/43/627342543.db2.gz REHXWZBZWDVTNI-UHFFFAOYSA-N 1 2 309.417 3.263 20 10 DGCDLO c1cc(N2CCCC2)ccc1CNc1cc(NC2CC2)nc[nH+]1 ZINC000840244198 627342547 /nfs/dbraw/zinc/34/25/47/627342547.db2.gz REHXWZBZWDVTNI-UHFFFAOYSA-N 1 2 309.417 3.263 20 10 DGCDLO CN(C)C1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCC1 ZINC000816530533 627803016 /nfs/dbraw/zinc/80/30/16/627803016.db2.gz LMGLMGPABLEIBV-UHFFFAOYSA-N 1 2 300.805 3.149 20 10 DGCDLO C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CCC[C@H](C)C1 ZINC000816535587 627803139 /nfs/dbraw/zinc/80/31/39/627803139.db2.gz UERVCOSLMZZDCS-NWDGAFQWSA-N 1 2 314.832 3.395 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000816530601 627803348 /nfs/dbraw/zinc/80/33/48/627803348.db2.gz NYDJBXNHAGKNJJ-UHFFFAOYSA-N 1 2 323.751 3.246 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000816544330 627805148 /nfs/dbraw/zinc/80/51/48/627805148.db2.gz DTKRFEHBEOJRMG-UHFFFAOYSA-N 1 2 322.758 3.004 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000816550030 627805915 /nfs/dbraw/zinc/80/59/15/627805915.db2.gz GJHOUMYWBJYSEJ-UHFFFAOYSA-N 1 2 321.779 3.452 20 10 DGCDLO COC(=O)CCC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816569887 627810275 /nfs/dbraw/zinc/81/02/75/627810275.db2.gz ZVNCFLTYIFOYTF-UHFFFAOYSA-N 1 2 303.761 3.006 20 10 DGCDLO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000816640307 627818559 /nfs/dbraw/zinc/81/85/59/627818559.db2.gz CDWYKVSBFUMWHX-OAHLLOKOSA-N 1 2 301.789 3.216 20 10 DGCDLO OCC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000817419201 627898170 /nfs/dbraw/zinc/89/81/70/627898170.db2.gz QYFUSGFIQZLFNC-LLVKDONJSA-N 1 2 301.789 3.169 20 10 DGCDLO OCC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000817419201 627898172 /nfs/dbraw/zinc/89/81/72/627898172.db2.gz QYFUSGFIQZLFNC-LLVKDONJSA-N 1 2 301.789 3.169 20 10 DGCDLO CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2nccn2C)c(O)c1 ZINC000824620411 628678323 /nfs/dbraw/zinc/67/83/23/628678323.db2.gz NLNHZNDLFUELPB-MRXNPFEDSA-N 1 2 315.417 3.108 20 10 DGCDLO CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2nccn2C)c(O)c1 ZINC000824620411 628678325 /nfs/dbraw/zinc/67/83/25/628678325.db2.gz NLNHZNDLFUELPB-MRXNPFEDSA-N 1 2 315.417 3.108 20 10 DGCDLO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824853492 628700792 /nfs/dbraw/zinc/70/07/92/628700792.db2.gz GWZISTHTFYQFPS-YPMHNXCESA-N 1 2 315.772 3.006 20 10 DGCDLO CC(C)(CN1CCCC1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000825326298 628749703 /nfs/dbraw/zinc/74/97/03/628749703.db2.gz MGAFZARMCGZWEG-UHFFFAOYSA-N 1 2 300.805 3.149 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@@H](C)[S@@]1=O ZINC000825886826 628807369 /nfs/dbraw/zinc/80/73/69/628807369.db2.gz QQVPFVHTYVVBCR-YZRASEIHSA-N 1 2 315.866 3.085 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)C[C@@H](C)[S@@]1=O ZINC000825886826 628807372 /nfs/dbraw/zinc/80/73/72/628807372.db2.gz QQVPFVHTYVVBCR-YZRASEIHSA-N 1 2 315.866 3.085 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2CC(F)F)cc1Cl ZINC000825893312 628808059 /nfs/dbraw/zinc/80/80/59/628808059.db2.gz VRZCRSPIMQECTL-LLVKDONJSA-N 1 2 305.752 3.210 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCOC[C@H]2CC(F)F)cc1Cl ZINC000825893312 628808061 /nfs/dbraw/zinc/80/80/61/628808061.db2.gz VRZCRSPIMQECTL-LLVKDONJSA-N 1 2 305.752 3.210 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)cc1Cl ZINC000826084133 628826679 /nfs/dbraw/zinc/82/66/79/628826679.db2.gz UTYHQLNPSCLTPJ-HXUWFJFHSA-N 1 2 315.866 3.087 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)cc1Cl ZINC000826084133 628826683 /nfs/dbraw/zinc/82/66/83/628826683.db2.gz UTYHQLNPSCLTPJ-HXUWFJFHSA-N 1 2 315.866 3.087 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)cc1Cl ZINC000826084132 628826709 /nfs/dbraw/zinc/82/67/09/628826709.db2.gz UTYHQLNPSCLTPJ-FQEVSTJZSA-N 1 2 315.866 3.087 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CC[S@](=O)C(C)(C)CC2)cc1Cl ZINC000826084132 628826713 /nfs/dbraw/zinc/82/67/13/628826713.db2.gz UTYHQLNPSCLTPJ-FQEVSTJZSA-N 1 2 315.866 3.087 20 10 DGCDLO Cc1cc(C(=O)C[N@@H+](C)C2CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827416300 628957196 /nfs/dbraw/zinc/95/71/96/628957196.db2.gz YXDDIQFNAOFKQI-UHFFFAOYSA-N 1 2 317.820 3.419 20 10 DGCDLO Cc1cc(C(=O)C[N@H+](C)C2CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827416300 628957199 /nfs/dbraw/zinc/95/71/99/628957199.db2.gz YXDDIQFNAOFKQI-UHFFFAOYSA-N 1 2 317.820 3.419 20 10 DGCDLO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000827733922 628986766 /nfs/dbraw/zinc/98/67/66/628986766.db2.gz RAWDONDLZSAAJH-MEDUHNTESA-N 1 2 323.795 3.439 20 10 DGCDLO CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1OC)c1cccc(Cl)c1O ZINC000834880700 629796378 /nfs/dbraw/zinc/79/63/78/629796378.db2.gz OEARSWVGDCYVLJ-CQDKDKBSSA-N 1 2 313.825 3.138 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@H+](C)Cc2nccn2C(F)F)cc1 ZINC000835025311 629827573 /nfs/dbraw/zinc/82/75/73/629827573.db2.gz HTCUVASNFQEULR-PLNGDYQASA-N 1 2 320.387 3.489 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@@H+](C)Cc2nccn2C(F)F)cc1 ZINC000835025311 629827579 /nfs/dbraw/zinc/82/75/79/629827579.db2.gz HTCUVASNFQEULR-PLNGDYQASA-N 1 2 320.387 3.489 20 10 DGCDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cccc(Cl)c1O ZINC000835077418 629845399 /nfs/dbraw/zinc/84/53/99/629845399.db2.gz SCFKFWYLDBLHGC-UHFFFAOYSA-N 1 2 307.825 3.437 20 10 DGCDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cccc(Cl)c1O ZINC000835077418 629845402 /nfs/dbraw/zinc/84/54/02/629845402.db2.gz SCFKFWYLDBLHGC-UHFFFAOYSA-N 1 2 307.825 3.437 20 10 DGCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)c(Cl)c1 ZINC000840909795 630376142 /nfs/dbraw/zinc/37/61/42/630376142.db2.gz HNCWXAOLSSRBED-UHFFFAOYSA-N 1 2 324.852 3.044 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cccc(Cl)c1O ZINC000842886584 630589656 /nfs/dbraw/zinc/58/96/56/630589656.db2.gz SQBMXTRIQKZHOL-KBPBESRZSA-N 1 2 324.852 3.486 20 10 DGCDLO OC[C@]1(C[NH2+]Cc2cccc(Cl)c2O)CCc2ccccc21 ZINC000846010779 631205733 /nfs/dbraw/zinc/20/57/33/631205733.db2.gz IJXAKZVAAXJLAJ-GOSISDBHSA-N 1 2 317.816 3.012 20 10 DGCDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)ccn12 ZINC000847760590 631534356 /nfs/dbraw/zinc/53/43/56/631534356.db2.gz MDPMPLILRUIDPH-CQSZACIVSA-N 1 2 322.412 3.200 20 10 DGCDLO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1cc(F)cc(F)c1O ZINC000848568306 631697006 /nfs/dbraw/zinc/69/70/06/631697006.db2.gz FFVQIIGRHYWGQT-IUIKQTSFSA-N 1 2 310.388 3.338 20 10 DGCDLO CCc1cccc(C[N@H+](C)[C@H](C(=O)OC)c2ccccc2)c1O ZINC000848887262 631772252 /nfs/dbraw/zinc/77/22/52/631772252.db2.gz ROUFASVICCDYAS-KRWDZBQOSA-N 1 2 313.397 3.301 20 10 DGCDLO CCc1cccc(C[N@@H+](C)[C@H](C(=O)OC)c2ccccc2)c1O ZINC000848887262 631772258 /nfs/dbraw/zinc/77/22/58/631772258.db2.gz ROUFASVICCDYAS-KRWDZBQOSA-N 1 2 313.397 3.301 20 10 DGCDLO CCc1cccc(C[NH2+][C@H](C)c2noc(COC(C)C)n2)c1O ZINC000848913246 631784581 /nfs/dbraw/zinc/78/45/81/631784581.db2.gz SKAWDTKJJRYPLJ-GFCCVEGCSA-N 1 2 319.405 3.113 20 10 DGCDLO [NH2+]=C(NCc1cc(Cl)cc(Cl)c1O)NC1CCCC1 ZINC000849028305 631812771 /nfs/dbraw/zinc/81/27/71/631812771.db2.gz HGJWDUJXJOAOGP-UHFFFAOYSA-N 1 2 302.205 3.256 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1F ZINC000850351657 632121547 /nfs/dbraw/zinc/12/15/47/632121547.db2.gz GLIBISCRTYDPEO-SWLSCSKDSA-N 1 2 317.412 3.059 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1F ZINC000850351654 632121597 /nfs/dbraw/zinc/12/15/97/632121597.db2.gz GLIBISCRTYDPEO-DOMZBBRYSA-N 1 2 317.412 3.059 20 10 DGCDLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850409898 632143584 /nfs/dbraw/zinc/14/35/84/632143584.db2.gz IVWKNSYILFPYTG-UHFFFAOYSA-N 1 2 312.404 3.294 20 10 DGCDLO C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1cc(F)cc(F)c1O ZINC000850574647 632199544 /nfs/dbraw/zinc/19/95/44/632199544.db2.gz ZXQDAALQVVJWIR-PRXAMGSTSA-N 1 2 321.367 3.486 20 10 DGCDLO COC(C)(C)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708100186 660918117 /nfs/dbraw/zinc/91/81/17/660918117.db2.gz SQCNXNPSGSRLAH-UHFFFAOYSA-N 1 2 322.630 3.323 20 10 DGCDLO CSC1CC([NH2+]Cc2cccc(Br)c2O)C1 ZINC000708270845 660919514 /nfs/dbraw/zinc/91/95/14/660919514.db2.gz VYFDSRPRQICZAN-UHFFFAOYSA-N 1 2 302.237 3.138 20 10 DGCDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792793573 660985163 /nfs/dbraw/zinc/98/51/63/660985163.db2.gz GHQYUBZJEWBFQL-NEPJUHHUSA-N 1 2 316.367 3.381 20 10 DGCDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792793573 660985165 /nfs/dbraw/zinc/98/51/65/660985165.db2.gz GHQYUBZJEWBFQL-NEPJUHHUSA-N 1 2 316.367 3.381 20 10 DGCDLO COC(=O)CC1([NH2+]Cc2cc(Cl)cc(F)c2O)CCCC1 ZINC000793232581 661015764 /nfs/dbraw/zinc/01/57/64/661015764.db2.gz YWZONOGOWQKFQO-UHFFFAOYSA-N 1 2 315.772 3.150 20 10 DGCDLO CC(C)c1nnc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)[nH]1 ZINC000794274470 661075967 /nfs/dbraw/zinc/07/59/67/661075967.db2.gz HGUZBVUIYUVRMH-UHFFFAOYSA-N 1 2 315.465 3.405 20 10 DGCDLO CC(C)c1nnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)[nH]1 ZINC000794274470 661075968 /nfs/dbraw/zinc/07/59/68/661075968.db2.gz HGUZBVUIYUVRMH-UHFFFAOYSA-N 1 2 315.465 3.405 20 10 DGCDLO COCC(C)(C)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715747265 655738263 /nfs/dbraw/zinc/73/82/63/655738263.db2.gz YUAXKPWXTJZITQ-UHFFFAOYSA-N 1 2 320.202 3.056 20 10 DGCDLO CC[C@@](C)(C[NH2+]Cc1cc(Br)cc(F)c1O)OC ZINC000715720394 661214253 /nfs/dbraw/zinc/21/42/53/661214253.db2.gz XUGOGYOGMFZDAH-ZDUSSCGKSA-N 1 2 320.202 3.199 20 10 DGCDLO CS[C@H](C)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715745263 661214262 /nfs/dbraw/zinc/21/42/62/661214262.db2.gz LLNCSGHQNBELBM-SSDOTTSWSA-N 1 2 308.216 3.135 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(F)CC1 ZINC000715803667 661214514 /nfs/dbraw/zinc/21/45/14/661214514.db2.gz ICYRWZUBACNJHQ-UHFFFAOYSA-N 1 2 306.150 3.228 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000715812252 661214918 /nfs/dbraw/zinc/21/49/18/661214918.db2.gz JNHWZJHRQVZXTO-NOZJJQNGSA-N 1 2 300.171 3.326 20 10 DGCDLO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000388683370 685190787 /nfs/dbraw/zinc/19/07/87/685190787.db2.gz ISFRGNWGMVMELF-MNOVXSKESA-N 1 2 314.223 3.059 20 10 DGCDLO C[C@H]([NH2+]Cc1cccc(Br)c1O)[C@@H]1CCCOC1 ZINC000388942503 685191630 /nfs/dbraw/zinc/19/16/30/685191630.db2.gz GOROMJCEFTXFTJ-CMPLNLGQSA-N 1 2 314.223 3.059 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)c1ccsc1 ZINC001620807297 1192086884 /nfs/dbraw/zinc/08/68/84/1192086884.db2.gz SMJCHFITFJULLY-LBPRGKRZSA-N 1 2 301.770 3.069 20 10 DGCDLO CC[C@H]([NH2+]Cc1ccc(C)cc1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465133 1192510324 /nfs/dbraw/zinc/51/03/24/1192510324.db2.gz GFARKBKYMJNYQD-INIZCTEOSA-N 1 2 323.400 3.122 20 10 DGCDLO CC1(C)CC[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)OC1 ZINC001621047886 1192960300 /nfs/dbraw/zinc/96/03/00/1192960300.db2.gz IOXGLMBLJSZUEW-GFCCVEGCSA-N 1 2 301.789 3.480 20 10 DGCDLO CCOC(=O)[C@H](C)[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC001462094208 1182907056 /nfs/dbraw/zinc/90/70/56/1182907056.db2.gz KOVDXAGUCZKNPL-XHPSBEMXSA-N 1 2 316.445 3.182 20 10 DGCDLO CCOC(=O)[C@H](C)[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC001462094208 1182907059 /nfs/dbraw/zinc/90/70/59/1182907059.db2.gz KOVDXAGUCZKNPL-XHPSBEMXSA-N 1 2 316.445 3.182 20 10 DGCDLO COC(=O)[C@]12C[N@H+](Cc3cccc(Cl)c3O)C[C@H]1CCCC2 ZINC001462384960 1182944280 /nfs/dbraw/zinc/94/42/80/1182944280.db2.gz VHRHZINQBDOOII-CXAGYDPISA-N 1 2 323.820 3.211 20 10 DGCDLO COC(=O)[C@]12C[N@@H+](Cc3cccc(Cl)c3O)C[C@H]1CCCC2 ZINC001462384960 1182944283 /nfs/dbraw/zinc/94/42/83/1182944283.db2.gz VHRHZINQBDOOII-CXAGYDPISA-N 1 2 323.820 3.211 20 10 DGCDLO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001474239805 1183888355 /nfs/dbraw/zinc/88/83/55/1183888355.db2.gz IAZXBXNJGTYOFA-INIZCTEOSA-N 1 2 320.795 3.461 20 10 DGCDLO COCc1cc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)no1 ZINC001474506246 1183932857 /nfs/dbraw/zinc/93/28/57/1183932857.db2.gz QMGBQPLWPADUJI-UHFFFAOYSA-N 1 2 315.417 3.053 20 10 DGCDLO COCc1cc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)no1 ZINC001474506246 1183932858 /nfs/dbraw/zinc/93/28/58/1183932858.db2.gz QMGBQPLWPADUJI-UHFFFAOYSA-N 1 2 315.417 3.053 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1ccc(Br)cc1O)C2 ZINC001474677270 1183960951 /nfs/dbraw/zinc/96/09/51/1183960951.db2.gz IGRAFMAJRDHVPI-UHFFFAOYSA-N 1 2 320.186 3.376 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1ccc(Br)cc1O)C2 ZINC001474677270 1183960952 /nfs/dbraw/zinc/96/09/52/1183960952.db2.gz IGRAFMAJRDHVPI-UHFFFAOYSA-N 1 2 320.186 3.376 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCc2ccccc2C1 ZINC000029062291 1193381823 /nfs/dbraw/zinc/38/18/23/1193381823.db2.gz OSXHUQOKLIPLEP-UHFFFAOYSA-N 1 2 321.376 3.365 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCc2ccccc2C1 ZINC000029062291 1193381827 /nfs/dbraw/zinc/38/18/27/1193381827.db2.gz OSXHUQOKLIPLEP-UHFFFAOYSA-N 1 2 321.376 3.365 20 10 DGCDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1O ZINC001557968261 1189095665 /nfs/dbraw/zinc/09/56/65/1189095665.db2.gz WHXKANLCIIZCQH-ZDUSSCGKSA-N 1 2 307.353 3.069 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1O ZINC001559665906 1189227910 /nfs/dbraw/zinc/22/79/10/1189227910.db2.gz UGBDQWBEJWXWFC-QWHCGFSZSA-N 1 2 315.747 3.335 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1O ZINC001559665906 1189227914 /nfs/dbraw/zinc/22/79/14/1189227914.db2.gz UGBDQWBEJWXWFC-QWHCGFSZSA-N 1 2 315.747 3.335 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@]23CCOC3)c1O ZINC001560233164 1189295757 /nfs/dbraw/zinc/29/57/57/1189295757.db2.gz SVLBEPFLFXJSLA-QGZVFWFLSA-N 1 2 323.820 3.393 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@]23CCOC3)c1O ZINC001560233164 1189295760 /nfs/dbraw/zinc/29/57/60/1189295760.db2.gz SVLBEPFLFXJSLA-QGZVFWFLSA-N 1 2 323.820 3.393 20 10 DGCDLO Cc1[nH+]c(NCc2cccc(F)c2O)ccc1-c1cnn(C)c1 ZINC001560846343 1189393025 /nfs/dbraw/zinc/39/30/25/1189393025.db2.gz FTSPNKAIFQBXAT-UHFFFAOYSA-N 1 2 312.348 3.247 20 10 DGCDLO Cc1cc(O)c(C[NH+]2CC(O)(c3ccccc3)C2)cc1Cl ZINC001560865992 1189395773 /nfs/dbraw/zinc/39/57/73/1189395773.db2.gz RWYZTFIBGISMPT-UHFFFAOYSA-N 1 2 303.789 3.057 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC001561006529 1189419497 /nfs/dbraw/zinc/41/94/97/1189419497.db2.gz UDWATOLFISJLNI-CZUORRHYSA-N 1 2 309.287 3.232 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCN1CCCCCC1 ZINC001620717796 1193794154 /nfs/dbraw/zinc/79/41/54/1193794154.db2.gz VYPFGIGUBQZSAG-UHFFFAOYSA-N 1 2 300.805 3.150 20 10 DGCDLO C[C@]1(c2ccccc2)C[N@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001621180921 1193813423 /nfs/dbraw/zinc/81/34/23/1193813423.db2.gz HIAZBEVYWVGHDW-GOSISDBHSA-N 1 2 319.351 3.418 20 10 DGCDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001621180921 1193813427 /nfs/dbraw/zinc/81/34/27/1193813427.db2.gz HIAZBEVYWVGHDW-GOSISDBHSA-N 1 2 319.351 3.418 20 10 DGCDLO COc1cc(C)c(C[NH2+]Cc2cccc(Cl)c2O)c(O)c1 ZINC001653231646 1195701916 /nfs/dbraw/zinc/70/19/16/1195701916.db2.gz WUBJWOGZRLJWTN-UHFFFAOYSA-N 1 2 307.777 3.358 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)OCC[C@H]2C)c1O ZINC001655120591 1195879319 /nfs/dbraw/zinc/87/93/19/1195879319.db2.gz RAJSIHAWVPDDCU-GHMZBOCLSA-N 1 2 311.809 3.248 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)OCC[C@H]2C)c1O ZINC001655120591 1195879322 /nfs/dbraw/zinc/87/93/22/1195879322.db2.gz RAJSIHAWVPDDCU-GHMZBOCLSA-N 1 2 311.809 3.248 20 10 DGCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1nnc2ccccn21 ZINC001656703541 1196063995 /nfs/dbraw/zinc/06/39/95/1196063995.db2.gz ZLWKEYMVUCERND-VIFPVBQESA-N 1 2 320.755 3.078 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001657195288 1196116782 /nfs/dbraw/zinc/11/67/82/1196116782.db2.gz YQHOKLASSHJIQB-WFASDCNBSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001657195288 1196116783 /nfs/dbraw/zinc/11/67/83/1196116783.db2.gz YQHOKLASSHJIQB-WFASDCNBSA-N 1 2 316.367 3.213 20 10 DGCDLO Oc1cc(Cl)ccc1C[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC001658435857 1196256362 /nfs/dbraw/zinc/25/63/62/1196256362.db2.gz JXHOHMQGIHUCPL-UHFFFAOYSA-N 1 2 303.793 3.206 20 10 DGCDLO Oc1cc(Cl)ccc1C[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC001658435857 1196256365 /nfs/dbraw/zinc/25/63/65/1196256365.db2.gz JXHOHMQGIHUCPL-UHFFFAOYSA-N 1 2 303.793 3.206 20 10 DGCDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001658464776 1196260882 /nfs/dbraw/zinc/26/08/82/1196260882.db2.gz AQGJDNHDBQAHTQ-ZDUSSCGKSA-N 1 2 315.360 3.223 20 10 DGCDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001658464776 1196260884 /nfs/dbraw/zinc/26/08/84/1196260884.db2.gz AQGJDNHDBQAHTQ-ZDUSSCGKSA-N 1 2 315.360 3.223 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1ccnn1-c1ccc(F)cc1)C2 ZINC001660550096 1196496413 /nfs/dbraw/zinc/49/64/13/1196496413.db2.gz URLBJNORYRPIGG-UHFFFAOYSA-N 1 2 309.344 3.233 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)C2 ZINC001660550096 1196496414 /nfs/dbraw/zinc/49/64/14/1196496414.db2.gz URLBJNORYRPIGG-UHFFFAOYSA-N 1 2 309.344 3.233 20 10 DGCDLO CC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC001648866374 1081950835 /nfs/dbraw/zinc/95/08/35/1081950835.db2.gz UMMURZSSKJKNJG-UHFFFAOYSA-N 1 2 322.767 3.433 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)c1nc(C(C)(C)C)no1 ZINC001181435187 1083474702 /nfs/dbraw/zinc/47/47/02/1083474702.db2.gz AHSHNTAWAMTQDE-MRVPVSSYSA-N 1 2 311.332 3.202 20 10 DGCDLO CCn1nc(C)c(C[N@H+](C)Cc2cc(F)c(F)cc2O)c1C ZINC001183205309 1083903235 /nfs/dbraw/zinc/90/32/35/1083903235.db2.gz IJZJVKZRQYUEPK-UHFFFAOYSA-N 1 2 309.360 3.136 20 10 DGCDLO CCn1nc(C)c(C[N@@H+](C)Cc2cc(F)c(F)cc2O)c1C ZINC001183205309 1083903243 /nfs/dbraw/zinc/90/32/43/1083903243.db2.gz IJZJVKZRQYUEPK-UHFFFAOYSA-N 1 2 309.360 3.136 20 10 DGCDLO Oc1c(F)ccc(F)c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC001139685828 1084196969 /nfs/dbraw/zinc/19/69/69/1084196969.db2.gz YGIXFJSFDYJFDH-UHFFFAOYSA-N 1 2 324.415 3.368 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@](C)(C(F)F)O1 ZINC000698930093 1087708443 /nfs/dbraw/zinc/70/84/43/1087708443.db2.gz YRDBZNBOBKENDQ-OTYXRUKQSA-N 1 2 305.752 3.290 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@](C)(C(F)F)O1 ZINC000698930093 1087708447 /nfs/dbraw/zinc/70/84/47/1087708447.db2.gz YRDBZNBOBKENDQ-OTYXRUKQSA-N 1 2 305.752 3.290 20 10 DGCDLO COC(=O)c1ccc2cc[nH+]c(NCc3ccc(N)cc3)c2c1 ZINC001162786474 1089957389 /nfs/dbraw/zinc/95/73/89/1089957389.db2.gz XNTAUXAFMSRWPM-UHFFFAOYSA-N 1 2 307.353 3.216 20 10 DGCDLO CCN(CC[NH+]1CCCCC1)Cc1cc(Cl)cc(F)c1O ZINC001237621602 1090314368 /nfs/dbraw/zinc/31/43/68/1090314368.db2.gz CVJLTKKYZKRBEK-UHFFFAOYSA-N 1 2 314.832 3.493 20 10 DGCDLO Cc1ccc(C)n1-c1ccc([NH2+]CCCc2c[nH][nH]c2=O)cc1 ZINC001164373687 1090416970 /nfs/dbraw/zinc/41/69/70/1090416970.db2.gz ALGMPNJHTILUGE-HNNXBMFYSA-N 1 2 310.401 3.018 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2cccc(O)c2)C1 ZINC001203862478 1090821039 /nfs/dbraw/zinc/82/10/39/1090821039.db2.gz KHKQEDYFYYUSPG-UHFFFAOYSA-N 1 2 322.408 3.451 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2cccc(O)c2)C1 ZINC001203862478 1090821044 /nfs/dbraw/zinc/82/10/44/1090821044.db2.gz KHKQEDYFYYUSPG-UHFFFAOYSA-N 1 2 322.408 3.451 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2Cc3cncnc3C2)c2ccccc21 ZINC001204233299 1090930694 /nfs/dbraw/zinc/93/06/94/1090930694.db2.gz PYAZBDLPAVURMQ-UHFFFAOYSA-N 1 2 304.397 3.212 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2Cc3cncnc3C2)c2ccccc21 ZINC001204233299 1090930695 /nfs/dbraw/zinc/93/06/95/1090930695.db2.gz PYAZBDLPAVURMQ-UHFFFAOYSA-N 1 2 304.397 3.212 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2ccccc2Cl)cc(O)c1O ZINC001204343170 1090951834 /nfs/dbraw/zinc/95/18/34/1090951834.db2.gz PTRWKYIBUBITJW-UHFFFAOYSA-N 1 2 307.777 3.392 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2ccccc2Cl)cc(O)c1O ZINC001204343170 1090951837 /nfs/dbraw/zinc/95/18/37/1090951837.db2.gz PTRWKYIBUBITJW-UHFFFAOYSA-N 1 2 307.777 3.392 20 10 DGCDLO Cc1c(C[N@H+](C)CC(=O)OC(C)(C)C)c2ccccc2n1C ZINC001138254168 1091126169 /nfs/dbraw/zinc/12/61/69/1091126169.db2.gz RUEVJUIGNYSHHM-UHFFFAOYSA-N 1 2 302.418 3.260 20 10 DGCDLO Cc1c(C[N@@H+](C)CC(=O)OC(C)(C)C)c2ccccc2n1C ZINC001138254168 1091126174 /nfs/dbraw/zinc/12/61/74/1091126174.db2.gz RUEVJUIGNYSHHM-UHFFFAOYSA-N 1 2 302.418 3.260 20 10 DGCDLO CN1CCCc2cc(C[NH+]3CC(OCc4ccccc4)C3)ccc21 ZINC001138356177 1091149862 /nfs/dbraw/zinc/14/98/62/1091149862.db2.gz BNARRNHQQFYKIO-UHFFFAOYSA-N 1 2 322.452 3.470 20 10 DGCDLO COc1ccc2c(c1)C[N@@H+](Cc1cc(F)c(F)cc1O)CCO2 ZINC001205861662 1091383778 /nfs/dbraw/zinc/38/37/78/1091383778.db2.gz ZMYXAFCCOALABI-UHFFFAOYSA-N 1 2 321.323 3.074 20 10 DGCDLO COc1ccc2c(c1)C[N@H+](Cc1cc(F)c(F)cc1O)CCO2 ZINC001205861662 1091383791 /nfs/dbraw/zinc/38/37/91/1091383791.db2.gz ZMYXAFCCOALABI-UHFFFAOYSA-N 1 2 321.323 3.074 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001139126575 1091457134 /nfs/dbraw/zinc/45/71/34/1091457134.db2.gz LGUQNNQHFJTSOQ-PBHICJAKSA-N 1 2 323.339 3.079 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001139126575 1091457139 /nfs/dbraw/zinc/45/71/39/1091457139.db2.gz LGUQNNQHFJTSOQ-PBHICJAKSA-N 1 2 323.339 3.079 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001139126594 1091457190 /nfs/dbraw/zinc/45/71/90/1091457190.db2.gz LRAPVGWJGGOVBT-ZIAGYGMSSA-N 1 2 313.397 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)C1CC(F)(F)C1 ZINC001139126559 1091457510 /nfs/dbraw/zinc/45/75/10/1091457510.db2.gz KKWVSLQKLGGTCL-UHFFFAOYSA-N 1 2 309.312 3.037 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)C1CC(F)(F)C1 ZINC001139126559 1091457513 /nfs/dbraw/zinc/45/75/13/1091457513.db2.gz KKWVSLQKLGGTCL-UHFFFAOYSA-N 1 2 309.312 3.037 20 10 DGCDLO CC[N@@H+](Cc1ccccn1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139129576 1091458959 /nfs/dbraw/zinc/45/89/59/1091458959.db2.gz AQPBXRIWSLAPMT-UHFFFAOYSA-N 1 2 324.380 3.224 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC001139129128 1091459117 /nfs/dbraw/zinc/45/91/17/1091459117.db2.gz NTMWDGTZGQYQKB-AAEUAGOBSA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC001139129128 1091459121 /nfs/dbraw/zinc/45/91/21/1091459121.db2.gz NTMWDGTZGQYQKB-AAEUAGOBSA-N 1 2 301.386 3.427 20 10 DGCDLO Oc1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001139684446 1091641414 /nfs/dbraw/zinc/64/14/14/1091641414.db2.gz UYVRIOQXLMZUHP-CYBMUJFWSA-N 1 2 304.340 3.273 20 10 DGCDLO Oc1c(F)ccc(F)c1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001139684446 1091641418 /nfs/dbraw/zinc/64/14/18/1091641418.db2.gz UYVRIOQXLMZUHP-CYBMUJFWSA-N 1 2 304.340 3.273 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCOc3ccc(O)cc3C2)c(Cl)c1 ZINC001206763433 1091730586 /nfs/dbraw/zinc/73/05/86/1091730586.db2.gz ZVGVNRHCHIWUKZ-UHFFFAOYSA-N 1 2 319.788 3.454 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCOc3ccc(O)cc3C2)c(Cl)c1 ZINC001206763433 1091730589 /nfs/dbraw/zinc/73/05/89/1091730589.db2.gz ZVGVNRHCHIWUKZ-UHFFFAOYSA-N 1 2 319.788 3.454 20 10 DGCDLO C[N@H+](Cc1cccnc1)Cc1c(O)cccc1Br ZINC001140098635 1091767726 /nfs/dbraw/zinc/76/77/26/1091767726.db2.gz IVOWDXDLBRJLHP-UHFFFAOYSA-N 1 2 307.191 3.182 20 10 DGCDLO C[N@@H+](Cc1cccnc1)Cc1c(O)cccc1Br ZINC001140098635 1091767737 /nfs/dbraw/zinc/76/77/37/1091767737.db2.gz IVOWDXDLBRJLHP-UHFFFAOYSA-N 1 2 307.191 3.182 20 10 DGCDLO Oc1cccc(Br)c1C[N@@H+]1CCc2cccnc2C1 ZINC001140103535 1091769356 /nfs/dbraw/zinc/76/93/56/1091769356.db2.gz NXGRSUDVSQSGKI-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1cccc(Br)c1C[N@H+]1CCc2cccnc2C1 ZINC001140103535 1091769361 /nfs/dbraw/zinc/76/93/61/1091769361.db2.gz NXGRSUDVSQSGKI-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO CCOCc1noc2c1C[N@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140345137 1091835169 /nfs/dbraw/zinc/83/51/69/1091835169.db2.gz PDLAZHAJQNDKSC-UHFFFAOYSA-N 1 2 322.792 3.128 20 10 DGCDLO CCOCc1noc2c1C[N@@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140345137 1091835172 /nfs/dbraw/zinc/83/51/72/1091835172.db2.gz PDLAZHAJQNDKSC-UHFFFAOYSA-N 1 2 322.792 3.128 20 10 DGCDLO Oc1cccc(F)c1C[NH2+]Cc1conc1Cc1ccccc1 ZINC001207622174 1092046200 /nfs/dbraw/zinc/04/62/00/1092046200.db2.gz LKDYTQDQJBJSJM-UHFFFAOYSA-N 1 2 312.344 3.400 20 10 DGCDLO C[N@H+](Cc1cnc(Cl)s1)Cc1cc(F)c(F)cc1O ZINC001142508478 1092491557 /nfs/dbraw/zinc/49/15/57/1092491557.db2.gz ADKUMCIEHXQLQR-UHFFFAOYSA-N 1 2 304.749 3.412 20 10 DGCDLO C[N@@H+](Cc1cnc(Cl)s1)Cc1cc(F)c(F)cc1O ZINC001142508478 1092491566 /nfs/dbraw/zinc/49/15/66/1092491566.db2.gz ADKUMCIEHXQLQR-UHFFFAOYSA-N 1 2 304.749 3.412 20 10 DGCDLO COc1ccc2c(c1)C[N@H+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142508834 1092492041 /nfs/dbraw/zinc/49/20/41/1092492041.db2.gz NFWUXZTYYDMEHP-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO CC(C)(C)c1cccc(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)c1O ZINC001143112487 1092616493 /nfs/dbraw/zinc/61/64/93/1092616493.db2.gz SUTROUXROMEHBM-ZDUSSCGKSA-N 1 2 317.351 3.453 20 10 DGCDLO CC(C)(C)c1cccc(C[N@H+]2CCO[C@H](C(F)(F)F)C2)c1O ZINC001143112487 1092616498 /nfs/dbraw/zinc/61/64/98/1092616498.db2.gz SUTROUXROMEHBM-ZDUSSCGKSA-N 1 2 317.351 3.453 20 10 DGCDLO c1cn(Cc2ccc(Nc3ccc4c(c3)OCCN4)cc2)c[nH+]1 ZINC001209766759 1092911705 /nfs/dbraw/zinc/91/17/05/1092911705.db2.gz VSQTZRJKGMWXCB-UHFFFAOYSA-N 1 2 306.369 3.479 20 10 DGCDLO C[C@H](c1ccccc1)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137839251 1095760447 /nfs/dbraw/zinc/76/04/47/1095760447.db2.gz YJBAFUQDGYNQOF-OAHLLOKOSA-N 1 2 314.404 3.410 20 10 DGCDLO Oc1cccc(Br)c1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC001118855161 1096093401 /nfs/dbraw/zinc/09/34/01/1096093401.db2.gz AWLPTKOIGCPHLI-LBPRGKRZSA-N 1 2 322.206 3.045 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@]1(O)C(F)(F)F ZINC001231910673 1097889985 /nfs/dbraw/zinc/88/99/85/1097889985.db2.gz QESBFNGUVAUBAN-TVQRCGJNSA-N 1 2 323.742 3.181 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@]1(O)C(F)(F)F ZINC001231910673 1097889993 /nfs/dbraw/zinc/88/99/93/1097889993.db2.gz QESBFNGUVAUBAN-TVQRCGJNSA-N 1 2 323.742 3.181 20 10 DGCDLO COC(=O)CC[N@H+](Cc1ccco1)Cc1cccc(Cl)c1O ZINC001231912017 1097891046 /nfs/dbraw/zinc/89/10/46/1097891046.db2.gz SOGQCXNPRPMSAV-UHFFFAOYSA-N 1 2 323.776 3.204 20 10 DGCDLO COC(=O)CC[N@@H+](Cc1ccco1)Cc1cccc(Cl)c1O ZINC001231912017 1097891051 /nfs/dbraw/zinc/89/10/51/1097891051.db2.gz SOGQCXNPRPMSAV-UHFFFAOYSA-N 1 2 323.776 3.204 20 10 DGCDLO Cc1cccnc1O[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231914037 1097891913 /nfs/dbraw/zinc/89/19/13/1097891913.db2.gz XFCHEFKBROYHLK-AWEZNQCLSA-N 1 2 318.804 3.402 20 10 DGCDLO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231914037 1097891920 /nfs/dbraw/zinc/89/19/20/1097891920.db2.gz XFCHEFKBROYHLK-AWEZNQCLSA-N 1 2 318.804 3.402 20 10 DGCDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(Cl)c(O)cc2O)no1 ZINC001232260399 1097984653 /nfs/dbraw/zinc/98/46/53/1097984653.db2.gz PNGHTIHUDHNYHN-CYBMUJFWSA-N 1 2 308.765 3.385 20 10 DGCDLO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(Cl)c(O)cc2O)no1 ZINC001232260399 1097984662 /nfs/dbraw/zinc/98/46/62/1097984662.db2.gz PNGHTIHUDHNYHN-CYBMUJFWSA-N 1 2 308.765 3.385 20 10 DGCDLO CSc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001232329885 1098005140 /nfs/dbraw/zinc/00/51/40/1098005140.db2.gz JCTOIJADINHBMU-UHFFFAOYSA-N 1 2 316.426 3.163 20 10 DGCDLO CSc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001232329885 1098005147 /nfs/dbraw/zinc/00/51/47/1098005147.db2.gz JCTOIJADINHBMU-UHFFFAOYSA-N 1 2 316.426 3.163 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cc(Br)co1)CC2 ZINC001232856352 1098154500 /nfs/dbraw/zinc/15/45/00/1098154500.db2.gz RVRQEOBOVWFKEM-UHFFFAOYSA-N 1 2 308.175 3.306 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cc(Br)co1)CC2 ZINC001232856352 1098154502 /nfs/dbraw/zinc/15/45/02/1098154502.db2.gz RVRQEOBOVWFKEM-UHFFFAOYSA-N 1 2 308.175 3.306 20 10 DGCDLO CC1CCC([NH+]2CCN(Cc3ccc(F)c(F)c3O)CC2)CC1 ZINC001233077372 1098219083 /nfs/dbraw/zinc/21/90/83/1098219083.db2.gz LOMQRPXOTRUIJN-UHFFFAOYSA-N 1 2 324.415 3.367 20 10 DGCDLO Oc1c(CN2CC[NH+](C3CCCCC3)CC2)ccc(F)c1F ZINC001233074382 1098219376 /nfs/dbraw/zinc/21/93/76/1098219376.db2.gz OZFBTEKVIKWDAZ-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233078657 1098221317 /nfs/dbraw/zinc/22/13/17/1098221317.db2.gz CZTPDKSFFLMVPP-CQSZACIVSA-N 1 2 317.335 3.375 20 10 DGCDLO O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233078657 1098221321 /nfs/dbraw/zinc/22/13/21/1098221321.db2.gz CZTPDKSFFLMVPP-CQSZACIVSA-N 1 2 317.335 3.375 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCc3ncccc3C2)c1O ZINC001233289833 1098278407 /nfs/dbraw/zinc/27/84/07/1098278407.db2.gz RNXLHASIXXIYTA-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCc3ncccc3C2)c1O ZINC001233289833 1098278411 /nfs/dbraw/zinc/27/84/11/1098278411.db2.gz RNXLHASIXXIYTA-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO C[N@H+](Cc1cccc2c1OCO2)Cc1c(O)ccc(F)c1F ZINC001233336254 1098294011 /nfs/dbraw/zinc/29/40/11/1098294011.db2.gz FNFKMEQZJHIOFE-UHFFFAOYSA-N 1 2 307.296 3.031 20 10 DGCDLO C[N@@H+](Cc1cccc2c1OCO2)Cc1c(O)ccc(F)c1F ZINC001233336254 1098294016 /nfs/dbraw/zinc/29/40/16/1098294016.db2.gz FNFKMEQZJHIOFE-UHFFFAOYSA-N 1 2 307.296 3.031 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCCC12CC2 ZINC001235297477 1098948169 /nfs/dbraw/zinc/94/81/69/1098948169.db2.gz MMPLDNOEHIKMRE-UHFFFAOYSA-N 1 2 300.171 3.422 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCCC12CC2 ZINC001235297477 1098948175 /nfs/dbraw/zinc/94/81/75/1098948175.db2.gz MMPLDNOEHIKMRE-UHFFFAOYSA-N 1 2 300.171 3.422 20 10 DGCDLO Oc1cc(C[NH+]2CCC(F)(F)CC2)c(O)cc1Br ZINC001236772741 1099776657 /nfs/dbraw/zinc/77/66/57/1099776657.db2.gz JLIHULGSKUOEDV-UHFFFAOYSA-N 1 2 322.149 3.091 20 10 DGCDLO C[N@H+](Cc1cc(Cl)c(Cl)cc1O)[C@H]1CC[C@H](O)CC1 ZINC001236793691 1099787539 /nfs/dbraw/zinc/78/75/39/1099787539.db2.gz NUWGGAFUPDMLLZ-XYPYZODXSA-N 1 2 304.217 3.434 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)c(Cl)cc1O)[C@H]1CC[C@H](O)CC1 ZINC001236793691 1099787546 /nfs/dbraw/zinc/78/75/46/1099787546.db2.gz NUWGGAFUPDMLLZ-XYPYZODXSA-N 1 2 304.217 3.434 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCc3ccncc3C2)c(Cl)c1 ZINC001236804349 1099796351 /nfs/dbraw/zinc/79/63/51/1099796351.db2.gz UDAZFTLJXABCGP-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCc3ccncc3C2)c(Cl)c1 ZINC001236804349 1099796354 /nfs/dbraw/zinc/79/63/54/1099796354.db2.gz UDAZFTLJXABCGP-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2c2noc(C)n2)c(O)c1 ZINC001236814086 1099803191 /nfs/dbraw/zinc/80/31/91/1099803191.db2.gz OXJUFBJYPDAZDD-OAHLLOKOSA-N 1 2 317.389 3.128 20 10 DGCDLO COc1cc(C)c(C[N@H+]2CCCC[C@@H]2c2noc(C)n2)c(O)c1 ZINC001236814086 1099803197 /nfs/dbraw/zinc/80/31/97/1099803197.db2.gz OXJUFBJYPDAZDD-OAHLLOKOSA-N 1 2 317.389 3.128 20 10 DGCDLO Oc1cc2ccccc2cc1C[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001236834223 1099821051 /nfs/dbraw/zinc/82/10/51/1099821051.db2.gz UXTVDOPRJGEBCR-OFQRWUPVSA-N 1 2 323.314 3.449 20 10 DGCDLO Oc1cc2ccccc2cc1C[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001236834223 1099821061 /nfs/dbraw/zinc/82/10/61/1099821061.db2.gz UXTVDOPRJGEBCR-OFQRWUPVSA-N 1 2 323.314 3.449 20 10 DGCDLO CC(C)c1ccc(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)c(O)c1 ZINC001237049100 1099944991 /nfs/dbraw/zinc/94/49/91/1099944991.db2.gz LFBHRGUPPSUKNO-AWEZNQCLSA-N 1 2 303.324 3.279 20 10 DGCDLO CC(C)c1ccc(C[N@H+]2CCO[C@H](C(F)(F)F)C2)c(O)c1 ZINC001237049100 1099944997 /nfs/dbraw/zinc/94/49/97/1099944997.db2.gz LFBHRGUPPSUKNO-AWEZNQCLSA-N 1 2 303.324 3.279 20 10 DGCDLO OCc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237617943 1100190511 /nfs/dbraw/zinc/19/05/11/1100190511.db2.gz VPCJLUDXOWAQTH-UHFFFAOYSA-N 1 2 321.779 3.235 20 10 DGCDLO OCc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237617943 1100190517 /nfs/dbraw/zinc/19/05/17/1100190517.db2.gz VPCJLUDXOWAQTH-UHFFFAOYSA-N 1 2 321.779 3.235 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237622662 1100191782 /nfs/dbraw/zinc/19/17/82/1100191782.db2.gz WLNXZNCASZASHL-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO CC[C@H](C)[N@H+](C)Cc1cccc(I)c1O ZINC001237777953 1100246229 /nfs/dbraw/zinc/24/62/29/1100246229.db2.gz QPSAPKSEUFUDBH-VIFPVBQESA-N 1 2 319.186 3.227 20 10 DGCDLO CC[C@H](C)[N@@H+](C)Cc1cccc(I)c1O ZINC001237777953 1100246235 /nfs/dbraw/zinc/24/62/35/1100246235.db2.gz QPSAPKSEUFUDBH-VIFPVBQESA-N 1 2 319.186 3.227 20 10 DGCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001237938223 1100298209 /nfs/dbraw/zinc/29/82/09/1100298209.db2.gz ZHPQFIKKALAHQK-AWEZNQCLSA-N 1 2 307.756 3.312 20 10 DGCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC001237938223 1100298213 /nfs/dbraw/zinc/29/82/13/1100298213.db2.gz ZHPQFIKKALAHQK-AWEZNQCLSA-N 1 2 307.756 3.312 20 10 DGCDLO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(Br)c2O)[C@H](C)O1 ZINC000686514136 1103048990 /nfs/dbraw/zinc/04/89/90/1103048990.db2.gz XMLMVTDIUWWHNG-SCVCMEIPSA-N 1 2 314.223 3.058 20 10 DGCDLO COc1ccc(N(C)CC[N@H+](C)Cc2ncoc2C(C)C)cc1 ZINC001326707034 1103413121 /nfs/dbraw/zinc/41/31/21/1103413121.db2.gz IZQYWOVAJCZPMJ-UHFFFAOYSA-N 1 2 317.433 3.375 20 10 DGCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2ncoc2C(C)C)cc1 ZINC001326707034 1103413131 /nfs/dbraw/zinc/41/31/31/1103413131.db2.gz IZQYWOVAJCZPMJ-UHFFFAOYSA-N 1 2 317.433 3.375 20 10 DGCDLO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cc1Cl ZINC001248881189 1105185525 /nfs/dbraw/zinc/18/55/25/1105185525.db2.gz SCUUEVDBKVKROZ-UONOGXRCSA-N 1 2 315.816 3.248 20 10 DGCDLO CC(C)(C)c1cc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cc1Cl ZINC001248881189 1105185528 /nfs/dbraw/zinc/18/55/28/1105185528.db2.gz SCUUEVDBKVKROZ-UONOGXRCSA-N 1 2 315.816 3.248 20 10 DGCDLO Cc1cc(C[N@@H+]2CCOCC2(C)C)c(O)cc1Br ZINC001250128363 1105448664 /nfs/dbraw/zinc/44/86/64/1105448664.db2.gz DATUEWAAARFMGI-UHFFFAOYSA-N 1 2 314.223 3.074 20 10 DGCDLO Cc1cc(C[N@H+]2CCOCC2(C)C)c(O)cc1Br ZINC001250128363 1105448666 /nfs/dbraw/zinc/44/86/66/1105448666.db2.gz DATUEWAAARFMGI-UHFFFAOYSA-N 1 2 314.223 3.074 20 10 DGCDLO Cc1cccc2nc(C[N@@H+]3CCCc4cc(O)c(O)cc4C3)cn21 ZINC001137301637 1105474172 /nfs/dbraw/zinc/47/41/72/1105474172.db2.gz VDCMCCNHDBHNMF-UHFFFAOYSA-N 1 2 323.396 3.002 20 10 DGCDLO Cc1cccc2nc(C[N@H+]3CCCc4cc(O)c(O)cc4C3)cn21 ZINC001137301637 1105474173 /nfs/dbraw/zinc/47/41/73/1105474173.db2.gz VDCMCCNHDBHNMF-UHFFFAOYSA-N 1 2 323.396 3.002 20 10 DGCDLO CCOc1ccc(O)c(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001320509405 1107033760 /nfs/dbraw/zinc/03/37/60/1107033760.db2.gz PSMDWLYBIJDIFV-UHFFFAOYSA-N 1 2 314.341 3.215 20 10 DGCDLO CCOc1ccc(O)c(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001320509405 1107033771 /nfs/dbraw/zinc/03/37/71/1107033771.db2.gz PSMDWLYBIJDIFV-UHFFFAOYSA-N 1 2 314.341 3.215 20 10 DGCDLO COC(=O)[C@H](CC1CCCCC1)[NH2+]Cc1ccc(C)cc1O ZINC001308690107 1111461236 /nfs/dbraw/zinc/46/12/36/1111461236.db2.gz OEUBITDTXIEEMU-INIZCTEOSA-N 1 2 305.418 3.302 20 10 DGCDLO COC(=O)[C@@H](CC1CCCCC1)[NH2+]Cc1ccc(C)cc1O ZINC001308690108 1111461325 /nfs/dbraw/zinc/46/13/25/1111461325.db2.gz OEUBITDTXIEEMU-MRXNPFEDSA-N 1 2 305.418 3.302 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC001308801138 1111477234 /nfs/dbraw/zinc/47/72/34/1111477234.db2.gz HBDAJSVINLWUMY-UHFFFAOYSA-N 1 2 319.307 3.044 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC001308801138 1111477236 /nfs/dbraw/zinc/47/72/36/1111477236.db2.gz HBDAJSVINLWUMY-UHFFFAOYSA-N 1 2 319.307 3.044 20 10 DGCDLO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185512083 295665690 /nfs/dbraw/zinc/66/56/90/295665690.db2.gz JVHXTRLAOKJKGO-VHSKPIJISA-N 1 2 324.273 3.462 20 10 DGCDLO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1O ZINC000187700178 299301299 /nfs/dbraw/zinc/30/12/99/299301299.db2.gz NSOTXMGQQLMIHF-JTQLQIEISA-N 1 2 322.311 3.472 20 10 DGCDLO C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184868884 296127173 /nfs/dbraw/zinc/12/71/73/296127173.db2.gz SSMQDKUGRFAPSW-SECBINFHSA-N 1 2 300.189 3.246 20 10 DGCDLO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000189410821 284325097 /nfs/dbraw/zinc/32/50/97/284325097.db2.gz LCSPVNVMRFMKGY-BDAKNGLRSA-N 1 2 319.232 3.216 20 10 DGCDLO C[N@@H+]1CC[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)[C@H]2C1 ZINC000272589075 130044199 /nfs/dbraw/zinc/04/41/99/130044199.db2.gz HQLLOZACRFTKTM-HZMBPMFUSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@H+]1CC[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)[C@H]2C1 ZINC000272589075 130044202 /nfs/dbraw/zinc/04/42/02/130044202.db2.gz HQLLOZACRFTKTM-HZMBPMFUSA-N 1 2 315.244 3.225 20 10 DGCDLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000275350884 130307514 /nfs/dbraw/zinc/30/75/14/130307514.db2.gz QOARBKGIYJVRNR-JTQLQIEISA-N 1 2 324.222 3.345 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccc(N2CCCCC2)cc1 ZINC000275789624 130386390 /nfs/dbraw/zinc/38/63/90/130386390.db2.gz XANCGFKWSWPGCP-CABCVRRESA-N 1 2 313.449 3.217 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)c1ncn(C)n1 ZINC000275789637 130386563 /nfs/dbraw/zinc/38/65/63/130386563.db2.gz XANCGFKWSWPGCP-LSDHHAIUSA-N 1 2 313.449 3.217 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1O ZINC000285307520 131156445 /nfs/dbraw/zinc/15/64/45/131156445.db2.gz HWHTVDDHVGXVSP-MRXNPFEDSA-N 1 2 317.364 3.184 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1O ZINC000285307520 131156448 /nfs/dbraw/zinc/15/64/48/131156448.db2.gz HWHTVDDHVGXVSP-MRXNPFEDSA-N 1 2 317.364 3.184 20 10 DGCDLO C[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000285660380 131190566 /nfs/dbraw/zinc/19/05/66/131190566.db2.gz ZAZCSHQZJIAJPC-UWVGGRQHSA-N 1 2 304.217 3.461 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1cc([N+](=O)[O-])ccc1O ZINC000285724451 131196488 /nfs/dbraw/zinc/19/64/88/131196488.db2.gz QIDGRCZPAVYUMX-IUCAKERBSA-N 1 2 323.299 3.385 20 10 DGCDLO CC[C@H]([NH2+]CCCOCCOC)c1cccc(Cl)c1O ZINC000287876340 131304996 /nfs/dbraw/zinc/30/49/96/131304996.db2.gz YELRQNQDUIMJRS-AWEZNQCLSA-N 1 2 301.814 3.139 20 10 DGCDLO COc1ccc(C[NH2+]Cc2noc(-c3cccs3)n2)cc1C ZINC000294738371 131856700 /nfs/dbraw/zinc/85/67/00/131856700.db2.gz DSZZAMHFYQXZQR-UHFFFAOYSA-N 1 2 315.398 3.405 20 10 DGCDLO CC[C@@H]([NH2+]CCNC(=O)c1ccco1)c1cccc(Cl)c1O ZINC000287604910 286907951 /nfs/dbraw/zinc/90/79/51/286907951.db2.gz ITTWWSOIRODCBM-CYBMUJFWSA-N 1 2 322.792 3.109 20 10 DGCDLO CCS[C@H](C)c1noc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000137278623 432175563 /nfs/dbraw/zinc/17/55/63/432175563.db2.gz QJSXUVAARCCHMY-LLVKDONJSA-N 1 2 307.419 3.221 20 10 DGCDLO CCS[C@H](C)c1noc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000137278623 432175567 /nfs/dbraw/zinc/17/55/67/432175567.db2.gz QJSXUVAARCCHMY-LLVKDONJSA-N 1 2 307.419 3.221 20 10 DGCDLO Oc1ccccc1C[N@@H+](Cc1nccs1)C[C@@H]1CCCO1 ZINC000269735707 432204250 /nfs/dbraw/zinc/20/42/50/432204250.db2.gz ZQVZTIQJOPQATO-AWEZNQCLSA-N 1 2 304.415 3.030 20 10 DGCDLO Oc1ccccc1C[N@H+](Cc1nccs1)C[C@@H]1CCCO1 ZINC000269735707 432204252 /nfs/dbraw/zinc/20/42/52/432204252.db2.gz ZQVZTIQJOPQATO-AWEZNQCLSA-N 1 2 304.415 3.030 20 10 DGCDLO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1O ZINC000185639395 228395444 /nfs/dbraw/zinc/39/54/44/228395444.db2.gz TWYFLIYVLBGTQU-ISVAXAHUSA-N 1 2 322.257 3.218 20 10 DGCDLO CC[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc(Cl)c1O ZINC000287115048 288038055 /nfs/dbraw/zinc/03/80/55/288038055.db2.gz QSJPOMXCEFOFID-RNODOKPDSA-N 1 2 315.866 3.388 20 10 DGCDLO CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCO1)c1cccc(Cl)c1O ZINC000286972011 288063869 /nfs/dbraw/zinc/06/38/69/288063869.db2.gz IMJVGBIAAUGUTI-KKUMJFAQSA-N 1 2 313.825 3.280 20 10 DGCDLO COc1ccc([C@@H](CO)[N@H+](C)Cc2cccc(Cl)c2O)cc1 ZINC000271780362 432424309 /nfs/dbraw/zinc/42/43/09/432424309.db2.gz HPWWRRJIUHZPTC-MRXNPFEDSA-N 1 2 321.804 3.220 20 10 DGCDLO CO[C@H](C)c1nc(C[NH2+]Cc2cccc(Cl)c2O)cs1 ZINC000271840951 432427160 /nfs/dbraw/zinc/42/71/60/432427160.db2.gz QXGGDWQUYQWKSV-SECBINFHSA-N 1 2 312.822 3.499 20 10 DGCDLO CN(C)[C@H](C[NH2+]Cc1cccc(Cl)c1O)c1cccs1 ZINC000159730763 432693906 /nfs/dbraw/zinc/69/39/06/432693906.db2.gz MDYMCBGSKMZUNK-CYBMUJFWSA-N 1 2 310.850 3.500 20 10 DGCDLO CC1(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2O)CC[C@@H]1O ZINC000276108549 432774104 /nfs/dbraw/zinc/77/41/04/432774104.db2.gz ZUELAGZGJPWHMH-LBPRGKRZSA-N 1 2 304.217 3.292 20 10 DGCDLO CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2O)CC[C@@H]1O ZINC000276108549 432774108 /nfs/dbraw/zinc/77/41/08/432774108.db2.gz ZUELAGZGJPWHMH-LBPRGKRZSA-N 1 2 304.217 3.292 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)c1ncn(C)n1 ZINC000278793772 432901342 /nfs/dbraw/zinc/90/13/42/432901342.db2.gz QNPZHNXNXJXAGZ-JGVFFNPUSA-N 1 2 315.204 3.239 20 10 DGCDLO C[C@@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)c1ncn(C)n1 ZINC000278793770 432901656 /nfs/dbraw/zinc/90/16/56/432901656.db2.gz QNPZHNXNXJXAGZ-HTQZYQBOSA-N 1 2 315.204 3.239 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](Cc2cnn(C)c2)Cc2ccco2)cc1 ZINC000289910701 432978877 /nfs/dbraw/zinc/97/88/77/432978877.db2.gz UZJNFNMRMDZZCA-UHFFFAOYSA-N 1 2 324.428 3.282 20 10 DGCDLO CN(C)c1ccc(C[N@H+](Cc2cnn(C)c2)Cc2ccco2)cc1 ZINC000289910701 432978883 /nfs/dbraw/zinc/97/88/83/432978883.db2.gz UZJNFNMRMDZZCA-UHFFFAOYSA-N 1 2 324.428 3.282 20 10 DGCDLO OC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1C(F)(F)F ZINC000289957452 432981651 /nfs/dbraw/zinc/98/16/51/432981651.db2.gz YYYDQEVZSMEBOI-GHMZBOCLSA-N 1 2 323.742 3.038 20 10 DGCDLO OC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1C(F)(F)F ZINC000289957452 432981653 /nfs/dbraw/zinc/98/16/53/432981653.db2.gz YYYDQEVZSMEBOI-GHMZBOCLSA-N 1 2 323.742 3.038 20 10 DGCDLO C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000179634707 289195734 /nfs/dbraw/zinc/19/57/34/289195734.db2.gz BRBFHSPJFJBGFV-JTQLQIEISA-N 1 2 303.233 3.083 20 10 DGCDLO C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000179634707 289195737 /nfs/dbraw/zinc/19/57/37/289195737.db2.gz BRBFHSPJFJBGFV-JTQLQIEISA-N 1 2 303.233 3.083 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000374541762 433217720 /nfs/dbraw/zinc/21/77/20/433217720.db2.gz QCKCWHQTLRBJFZ-LLVKDONJSA-N 1 2 312.200 3.069 20 10 DGCDLO CC(C)c1nnc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)[nH]1 ZINC000292128853 433472547 /nfs/dbraw/zinc/47/25/47/433472547.db2.gz GIHANYMVEJEBCJ-UHFFFAOYSA-N 1 2 313.449 3.159 20 10 DGCDLO CC(C)c1nnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)[nH]1 ZINC000292128853 433472557 /nfs/dbraw/zinc/47/25/57/433472557.db2.gz GIHANYMVEJEBCJ-UHFFFAOYSA-N 1 2 313.449 3.159 20 10 DGCDLO CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)c1O ZINC000376495652 433754402 /nfs/dbraw/zinc/75/44/02/433754402.db2.gz PSFIDRXKPTUCCK-CQSZACIVSA-N 1 2 319.792 3.308 20 10 DGCDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)n1 ZINC000293912879 433921591 /nfs/dbraw/zinc/92/15/91/433921591.db2.gz LWMAHAAKWDFTNN-LBPRGKRZSA-N 1 2 311.744 3.213 20 10 DGCDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)n1 ZINC000293912879 433921595 /nfs/dbraw/zinc/92/15/95/433921595.db2.gz LWMAHAAKWDFTNN-LBPRGKRZSA-N 1 2 311.744 3.213 20 10 DGCDLO COc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)cc1C ZINC000294718645 434129628 /nfs/dbraw/zinc/12/96/28/434129628.db2.gz CKPGDWPAWXHYJI-UHFFFAOYSA-N 1 2 311.307 3.102 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@@H+]2Cc2cccc(OC)c2O)no1 ZINC000371405074 434693060 /nfs/dbraw/zinc/69/30/60/434693060.db2.gz XWEUCTYMESQTGW-CYBMUJFWSA-N 1 2 317.389 3.073 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@H+]2Cc2cccc(OC)c2O)no1 ZINC000371405074 434693070 /nfs/dbraw/zinc/69/30/70/434693070.db2.gz XWEUCTYMESQTGW-CYBMUJFWSA-N 1 2 317.389 3.073 20 10 DGCDLO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179931198 519504846 /nfs/dbraw/zinc/50/48/46/519504846.db2.gz YYRLBKCNCQUNCQ-ZDUSSCGKSA-N 1 2 324.852 3.030 20 10 DGCDLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179931198 519504852 /nfs/dbraw/zinc/50/48/52/519504852.db2.gz YYRLBKCNCQUNCQ-ZDUSSCGKSA-N 1 2 324.852 3.030 20 10 DGCDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000180060194 526349873 /nfs/dbraw/zinc/34/98/73/526349873.db2.gz KAVSDPDXIYSZPH-KRWDZBQOSA-N 1 2 305.324 3.244 20 10 DGCDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000180060194 526349878 /nfs/dbraw/zinc/34/98/78/526349878.db2.gz KAVSDPDXIYSZPH-KRWDZBQOSA-N 1 2 305.324 3.244 20 10 DGCDLO Cc1csc([C@@H]2COCC[N@@H+]2Cc2cc(C)c(C)cc2O)n1 ZINC000190411988 526425756 /nfs/dbraw/zinc/42/57/56/526425756.db2.gz YSEFQQJIBIRVNB-HNNXBMFYSA-N 1 2 318.442 3.347 20 10 DGCDLO Cc1csc([C@@H]2COCC[N@H+]2Cc2cc(C)c(C)cc2O)n1 ZINC000190411988 526425763 /nfs/dbraw/zinc/42/57/63/526425763.db2.gz YSEFQQJIBIRVNB-HNNXBMFYSA-N 1 2 318.442 3.347 20 10 DGCDLO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000189932909 527565559 /nfs/dbraw/zinc/56/55/59/527565559.db2.gz SHGIKIZEQRPOHV-TVQRCGJNSA-N 1 2 304.217 3.340 20 10 DGCDLO COC(=O)COc1ccc([N@H+](C)CCCCC(F)(F)F)cc1 ZINC000273039747 536478429 /nfs/dbraw/zinc/47/84/29/536478429.db2.gz DQLLEIJYAIKHNM-UHFFFAOYSA-N 1 2 319.323 3.407 20 10 DGCDLO COC(=O)COc1ccc([N@@H+](C)CCCCC(F)(F)F)cc1 ZINC000273039747 536478432 /nfs/dbraw/zinc/47/84/32/536478432.db2.gz DQLLEIJYAIKHNM-UHFFFAOYSA-N 1 2 319.323 3.407 20 10 DGCDLO COCCc1cc[nH+]c(N[C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000287578303 536832424 /nfs/dbraw/zinc/83/24/24/536832424.db2.gz QXTHLMYRKIFSIH-JTQLQIEISA-N 1 2 308.328 3.427 20 10 DGCDLO Oc1c(C[NH2+]Cc2c(F)cc(F)cc2F)ccc(F)c1F ZINC001658875457 1196313654 /nfs/dbraw/zinc/31/36/54/1196313654.db2.gz LUFHUOFXPRENQH-UHFFFAOYSA-N 1 2 303.230 3.378 20 10 DGCDLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(C)n1-c1ccccc1C ZINC000731856753 574560443 /nfs/dbraw/zinc/56/04/43/574560443.db2.gz VEDJOSQXEMQZAC-UHFFFAOYSA-N 1 2 322.412 3.398 20 10 DGCDLO CO[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000733329603 574616660 /nfs/dbraw/zinc/61/66/60/574616660.db2.gz WEHSDGUGMGBBFK-SECBINFHSA-N 1 2 318.122 3.366 20 10 DGCDLO COc1ccc([NH+]2CCC(NC(=O)[C@@H](C)C(C)(C)C)CC2)cc1 ZINC000734391783 574660397 /nfs/dbraw/zinc/66/03/97/574660397.db2.gz MJCGFFWDNOPMCC-CQSZACIVSA-N 1 2 318.461 3.462 20 10 DGCDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000729683968 575260318 /nfs/dbraw/zinc/26/03/18/575260318.db2.gz IEGWGPPVHSRKTB-CYBMUJFWSA-N 1 2 300.406 3.219 20 10 DGCDLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749537601 575663746 /nfs/dbraw/zinc/66/37/46/575663746.db2.gz DMFSQUJADLEUEO-UHFFFAOYSA-N 1 2 322.412 3.364 20 10 DGCDLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749537601 575663750 /nfs/dbraw/zinc/66/37/50/575663750.db2.gz DMFSQUJADLEUEO-UHFFFAOYSA-N 1 2 322.412 3.364 20 10 DGCDLO CC[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1O ZINC000806161954 617632144 /nfs/dbraw/zinc/63/21/44/617632144.db2.gz PSUSJKMNNIKJIK-TVQRCGJNSA-N 1 2 321.812 3.169 20 10 DGCDLO OC1CCN(c2ccc(CNc3cc4cc[nH]c4c[nH+]3)cc2)CC1 ZINC000853955388 620756941 /nfs/dbraw/zinc/75/69/41/620756941.db2.gz MRXLRKAYQJBQDN-UHFFFAOYSA-N 1 2 322.412 3.136 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)C[C@@H](C)[S@]1=O ZINC000840948245 618620942 /nfs/dbraw/zinc/62/09/42/618620942.db2.gz NKFWKVFMQUHATD-FKANQGBASA-N 1 2 315.866 3.085 20 10 DGCDLO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cccc(Cl)c1O ZINC000896843201 618968725 /nfs/dbraw/zinc/96/87/25/618968725.db2.gz ZSRJFHUPIYYBNH-UHFFFAOYSA-N 1 2 319.714 3.088 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897536334 619151109 /nfs/dbraw/zinc/15/11/09/619151109.db2.gz JONOUSYQXBDDBM-QMTHXVAHSA-N 1 2 301.789 3.216 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@H](Cc3nccs3)C2)ccc(F)c1F ZINC000898069663 619212194 /nfs/dbraw/zinc/21/21/94/619212194.db2.gz ZRYDYBIOWFDEJO-SNVBAGLBSA-N 1 2 310.369 3.192 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@H](Cc3nccs3)C2)ccc(F)c1F ZINC000898069663 619212196 /nfs/dbraw/zinc/21/21/96/619212196.db2.gz ZRYDYBIOWFDEJO-SNVBAGLBSA-N 1 2 310.369 3.192 20 10 DGCDLO COc1cc(C)cc(C[NH2+]Cc2cccc(Cl)c2O)c1O ZINC000898215810 619222394 /nfs/dbraw/zinc/22/23/94/619222394.db2.gz RDIDAOULCZFWKF-UHFFFAOYSA-N 1 2 307.777 3.358 20 10 DGCDLO Cc1c(Cl)c(C[NH2+]Cc2cccc(Cl)c2O)nn1C ZINC000898219321 619222756 /nfs/dbraw/zinc/22/27/56/619222756.db2.gz WXHXCYUEWMSTDJ-UHFFFAOYSA-N 1 2 300.189 3.031 20 10 DGCDLO CCOc1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1O ZINC000898219399 619222896 /nfs/dbraw/zinc/22/28/96/619222896.db2.gz GDOOECNEXSZEAF-UHFFFAOYSA-N 1 2 307.777 3.440 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccc(CCO)cc1)c1cc(F)cc(F)c1O ZINC000903403479 619774304 /nfs/dbraw/zinc/77/43/04/619774304.db2.gz RALOKULOEJHCQQ-LLVKDONJSA-N 1 2 307.340 3.056 20 10 DGCDLO Nc1ccc2c(c1)C[N@@H+](Cc1cccc(Cl)c1O)CCO2 ZINC000903943725 619842165 /nfs/dbraw/zinc/84/21/65/619842165.db2.gz AUFOTAXDRWGRTK-UHFFFAOYSA-N 1 2 304.777 3.022 20 10 DGCDLO Nc1ccc2c(c1)C[N@H+](Cc1cccc(Cl)c1O)CCO2 ZINC000903943725 619842168 /nfs/dbraw/zinc/84/21/68/619842168.db2.gz AUFOTAXDRWGRTK-UHFFFAOYSA-N 1 2 304.777 3.022 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000857989831 621141360 /nfs/dbraw/zinc/14/13/60/621141360.db2.gz PVOVPQYCIDYFCC-QGZVFWFLSA-N 1 2 320.396 3.165 20 10 DGCDLO CN(C)c1ccc(C[N@H+](Cc2cc(Cl)n(C)n2)C2CC2)cc1 ZINC000859081820 621246571 /nfs/dbraw/zinc/24/65/71/621246571.db2.gz LENZKWXMQVGZNK-UHFFFAOYSA-N 1 2 318.852 3.304 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](Cc2cc(Cl)n(C)n2)C2CC2)cc1 ZINC000859081820 621246573 /nfs/dbraw/zinc/24/65/73/621246573.db2.gz LENZKWXMQVGZNK-UHFFFAOYSA-N 1 2 318.852 3.304 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000862435490 621589214 /nfs/dbraw/zinc/58/92/14/621589214.db2.gz BJXBRHKEHLXVGN-HNNXBMFYSA-N 1 2 321.779 3.416 20 10 DGCDLO COC(=O)[C@H](CC1CCCCC1)[NH2+]Cc1cc(C)ccc1O ZINC000756147498 621619030 /nfs/dbraw/zinc/61/90/30/621619030.db2.gz RXIKOMXRSYJWOK-INIZCTEOSA-N 1 2 305.418 3.302 20 10 DGCDLO COC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000756343409 621629517 /nfs/dbraw/zinc/62/95/17/621629517.db2.gz YTFOSITWSBKGNJ-YUMQZZPRSA-N 1 2 322.630 3.494 20 10 DGCDLO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1cc(F)cc(F)c1O ZINC000756362155 621631247 /nfs/dbraw/zinc/63/12/47/621631247.db2.gz IXLUGNBZZYUINA-JTQLQIEISA-N 1 2 303.312 3.169 20 10 DGCDLO C[C@H]([NH2+]CCN(C)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756379931 621632937 /nfs/dbraw/zinc/63/29/37/621632937.db2.gz DMVIXLYWWDZYPG-LBPRGKRZSA-N 1 2 306.356 3.457 20 10 DGCDLO COCCCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756424165 621637765 /nfs/dbraw/zinc/63/77/65/621637765.db2.gz ULGAPCYBVSGAGX-SECBINFHSA-N 1 2 320.202 3.371 20 10 DGCDLO CCc1nc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)cs1 ZINC000756556963 621648420 /nfs/dbraw/zinc/64/84/20/621648420.db2.gz YPJLKKDNNBHVBJ-JTQLQIEISA-N 1 2 320.414 3.049 20 10 DGCDLO Cc1cccc2nc(C[NH2+][C@@H](C)c3cc(F)cc(F)c3O)cn21 ZINC000756565719 621649614 /nfs/dbraw/zinc/64/96/14/621649614.db2.gz YMXKUHGAQYAEQK-NSHDSACASA-N 1 2 317.339 3.477 20 10 DGCDLO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756677181 621658331 /nfs/dbraw/zinc/65/83/31/621658331.db2.gz PZVGMFOMHLEBCX-ISTVAULSSA-N 1 2 311.328 3.426 20 10 DGCDLO C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cc(F)cc(F)c1O ZINC000756771333 621663311 /nfs/dbraw/zinc/66/33/11/621663311.db2.gz VKXKXBDQAWILPS-VOJFVSQTSA-N 1 2 319.351 3.155 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(Br)cc(F)c1O ZINC000756817367 621666747 /nfs/dbraw/zinc/66/67/47/621666747.db2.gz FJYRRJKDZFFNBB-YUMQZZPRSA-N 1 2 320.202 3.104 20 10 DGCDLO Cc1ccc([C@@H](C)Nc2ccc(N(C)CCO)c[nH+]2)c(O)c1C ZINC000756844528 621667477 /nfs/dbraw/zinc/66/74/77/621667477.db2.gz JTCJDRMPEAHYKV-CQSZACIVSA-N 1 2 315.417 3.006 20 10 DGCDLO COc1ccc(N(C)Cc2cc(OC)cc(C)[nH+]2)c(OC)c1 ZINC000757098653 621686482 /nfs/dbraw/zinc/68/64/82/621686482.db2.gz BUHXZWQKQGDMBD-UHFFFAOYSA-N 1 2 302.374 3.052 20 10 DGCDLO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC000757865409 621743778 /nfs/dbraw/zinc/74/37/78/621743778.db2.gz GBWWKERSEQOXHU-OCCSQVGLSA-N 1 2 315.816 3.414 20 10 DGCDLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC000757865409 621743779 /nfs/dbraw/zinc/74/37/79/621743779.db2.gz GBWWKERSEQOXHU-OCCSQVGLSA-N 1 2 315.816 3.414 20 10 DGCDLO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000757865387 621743901 /nfs/dbraw/zinc/74/39/01/621743901.db2.gz GBWWKERSEQOXHU-GXTWGEPZSA-N 1 2 315.816 3.414 20 10 DGCDLO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000757865387 621743902 /nfs/dbraw/zinc/74/39/02/621743902.db2.gz GBWWKERSEQOXHU-GXTWGEPZSA-N 1 2 315.816 3.414 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+]Cc2ncnn2C(C)C)cc1F ZINC000865457104 621925757 /nfs/dbraw/zinc/92/57/57/621925757.db2.gz WCXTUKIWSHSEKY-UHFFFAOYSA-N 1 2 319.428 3.134 20 10 DGCDLO Cn1c2ccccc2nc1C[NH2+]Cc1cccc(Cl)c1O ZINC000761222849 621995480 /nfs/dbraw/zinc/99/54/80/621995480.db2.gz SJQHALZREPOLLY-UHFFFAOYSA-N 1 2 301.777 3.222 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+]2CCOCC23CCC3)cc1F ZINC000769451402 622528614 /nfs/dbraw/zinc/52/86/14/622528614.db2.gz MDGMGWJWMMNXEG-UHFFFAOYSA-N 1 2 306.425 3.427 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+]2CCOCC23CCC3)cc1F ZINC000769451402 622528616 /nfs/dbraw/zinc/52/86/16/622528616.db2.gz MDGMGWJWMMNXEG-UHFFFAOYSA-N 1 2 306.425 3.427 20 10 DGCDLO CCC1(CC)C[N@H+](Cc2c(O)cccc2Cl)CC[S@@]1=O ZINC000769558118 622540840 /nfs/dbraw/zinc/54/08/40/622540840.db2.gz SMPCPCJRHRHNTJ-FQEVSTJZSA-N 1 2 315.866 3.169 20 10 DGCDLO CCC1(CC)C[N@@H+](Cc2c(O)cccc2Cl)CC[S@@]1=O ZINC000769558118 622540844 /nfs/dbraw/zinc/54/08/44/622540844.db2.gz SMPCPCJRHRHNTJ-FQEVSTJZSA-N 1 2 315.866 3.169 20 10 DGCDLO CCCN(Cc1ccccc1O)C(=O)c1cccc2[nH+]ccn21 ZINC000770659513 622657837 /nfs/dbraw/zinc/65/78/37/622657837.db2.gz UKZGSAYRDGYRLX-UHFFFAOYSA-N 1 2 309.369 3.092 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872257782 622870114 /nfs/dbraw/zinc/87/01/14/622870114.db2.gz WXOVGWOQNZNZFF-LLVKDONJSA-N 1 2 309.715 3.041 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872257782 622870116 /nfs/dbraw/zinc/87/01/16/622870116.db2.gz WXOVGWOQNZNZFF-LLVKDONJSA-N 1 2 309.715 3.041 20 10 DGCDLO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000774832148 623197465 /nfs/dbraw/zinc/19/74/65/623197465.db2.gz JGTLXNSDBPSTSP-ZWNOBZJWSA-N 1 2 314.223 3.059 20 10 DGCDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000775720271 623318090 /nfs/dbraw/zinc/31/80/90/623318090.db2.gz KPMKHXMBXUQURR-CABCVRRESA-N 1 2 324.852 3.267 20 10 DGCDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cccc(Cl)c1O ZINC000775720271 623318094 /nfs/dbraw/zinc/31/80/94/623318094.db2.gz KPMKHXMBXUQURR-CABCVRRESA-N 1 2 324.852 3.267 20 10 DGCDLO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)[C@@H](C)C[N@@H+]1C ZINC000775987674 623360888 /nfs/dbraw/zinc/36/08/88/623360888.db2.gz VZQRUYNTGBPJGI-ZJUUUORDSA-N 1 2 303.233 3.223 20 10 DGCDLO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)[C@@H](C)C[N@H+]1C ZINC000775987674 623360893 /nfs/dbraw/zinc/36/08/93/623360893.db2.gz VZQRUYNTGBPJGI-ZJUUUORDSA-N 1 2 303.233 3.223 20 10 DGCDLO CCN(CC)c1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000776834466 623470060 /nfs/dbraw/zinc/47/00/60/623470060.db2.gz HLXRQGXZFBOTSD-UHFFFAOYSA-N 1 2 322.412 3.111 20 10 DGCDLO C[C@@H]([NH2+]CCCCCO)c1cc(Br)c(F)cc1O ZINC000790496621 625660978 /nfs/dbraw/zinc/66/09/78/625660978.db2.gz WYCDNGHHAHGELM-SECBINFHSA-N 1 2 320.202 3.107 20 10 DGCDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000876805892 623711366 /nfs/dbraw/zinc/71/13/66/623711366.db2.gz HOHZUFHHBZAHPN-CQSZACIVSA-N 1 2 307.344 3.049 20 10 DGCDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000876805892 623711370 /nfs/dbraw/zinc/71/13/70/623711370.db2.gz HOHZUFHHBZAHPN-CQSZACIVSA-N 1 2 307.344 3.049 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1F ZINC000779148224 623735451 /nfs/dbraw/zinc/73/54/51/623735451.db2.gz GYBCNLOWEXVILV-SKDRFNHKSA-N 1 2 302.187 3.335 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C[C@@H]1F ZINC000779148224 623735457 /nfs/dbraw/zinc/73/54/57/623735457.db2.gz GYBCNLOWEXVILV-SKDRFNHKSA-N 1 2 302.187 3.335 20 10 DGCDLO COCC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccc(C)o1 ZINC000877166977 623814155 /nfs/dbraw/zinc/81/41/55/623814155.db2.gz KABUPYRKUJJEFO-CYBMUJFWSA-N 1 2 311.328 3.439 20 10 DGCDLO Oc1c(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc(F)c1F ZINC000877541523 623933850 /nfs/dbraw/zinc/93/38/50/623933850.db2.gz PKAGPYXRTBZAFF-CZUORRHYSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1c(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc(F)c1F ZINC000877541523 623933857 /nfs/dbraw/zinc/93/38/57/623933857.db2.gz PKAGPYXRTBZAFF-CZUORRHYSA-N 1 2 309.356 3.204 20 10 DGCDLO CCn1cc(C[N@H+](Cc2ccc(F)c(F)c2O)C(C)C)cn1 ZINC000877612324 623961969 /nfs/dbraw/zinc/96/19/69/623961969.db2.gz HQRQGXWRDIDXDH-UHFFFAOYSA-N 1 2 309.360 3.297 20 10 DGCDLO CCn1cc(C[N@@H+](Cc2ccc(F)c(F)c2O)C(C)C)cn1 ZINC000877612324 623961974 /nfs/dbraw/zinc/96/19/74/623961974.db2.gz HQRQGXWRDIDXDH-UHFFFAOYSA-N 1 2 309.360 3.297 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877739353 624012029 /nfs/dbraw/zinc/01/20/29/624012029.db2.gz RUIMFLLEYRWRAT-ONGXEEELSA-N 1 2 301.814 3.370 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877739353 624012032 /nfs/dbraw/zinc/01/20/32/624012032.db2.gz RUIMFLLEYRWRAT-ONGXEEELSA-N 1 2 301.814 3.370 20 10 DGCDLO CC(C)(O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000877796716 624037082 /nfs/dbraw/zinc/03/70/82/624037082.db2.gz KOQUSEARFDZZSZ-LLVKDONJSA-N 1 2 301.789 3.168 20 10 DGCDLO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000877796716 624037084 /nfs/dbraw/zinc/03/70/84/624037084.db2.gz KOQUSEARFDZZSZ-LLVKDONJSA-N 1 2 301.789 3.168 20 10 DGCDLO Cc1csc([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC000877813195 624044549 /nfs/dbraw/zinc/04/45/49/624044549.db2.gz DWVNBILWGOCVLT-NSHDSACASA-N 1 2 310.369 3.425 20 10 DGCDLO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC000877813195 624044556 /nfs/dbraw/zinc/04/45/56/624044556.db2.gz DWVNBILWGOCVLT-NSHDSACASA-N 1 2 310.369 3.425 20 10 DGCDLO CCN1C(=O)/C(=C/c2cc(-n3cc[nH+]c3)cs2)SC1=S ZINC000783685231 624383756 /nfs/dbraw/zinc/38/37/56/624383756.db2.gz LEMCSJWRMVKVAZ-WDZFZDKYSA-N 1 2 321.452 3.155 20 10 DGCDLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000790934595 625717215 /nfs/dbraw/zinc/71/72/15/625717215.db2.gz NRZXYHORKYGJCC-ZWNOBZJWSA-N 1 2 301.789 3.310 20 10 DGCDLO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000790934595 625717222 /nfs/dbraw/zinc/71/72/22/625717222.db2.gz NRZXYHORKYGJCC-ZWNOBZJWSA-N 1 2 301.789 3.310 20 10 DGCDLO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000786574816 624923539 /nfs/dbraw/zinc/92/35/39/624923539.db2.gz GHFLOTRIPIAMNS-DOMZBBRYSA-N 1 2 321.367 3.233 20 10 DGCDLO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000786579189 624925001 /nfs/dbraw/zinc/92/50/01/624925001.db2.gz MZPKUBSNYCPHEG-HNNXBMFYSA-N 1 2 323.795 3.186 20 10 DGCDLO Cc1nnc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)s1 ZINC000788736532 625254665 /nfs/dbraw/zinc/25/46/65/625254665.db2.gz VMCSFUDHXKPVOJ-ZETCQYMHSA-N 1 2 317.336 3.422 20 10 DGCDLO OC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(F)c1 ZINC000790966351 625724234 /nfs/dbraw/zinc/72/42/34/625724234.db2.gz MAYXATSVLADYLR-CYBMUJFWSA-N 1 2 313.731 3.147 20 10 DGCDLO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883122744 625933614 /nfs/dbraw/zinc/93/36/14/625933614.db2.gz YKGHINVSVPVUJI-SFYZADRCSA-N 1 2 322.630 3.321 20 10 DGCDLO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)C(F)F)c1O ZINC000883400014 626673181 /nfs/dbraw/zinc/67/31/81/626673181.db2.gz BKZMZZXMOBHRCB-RQJHMYQMSA-N 1 2 324.165 3.468 20 10 DGCDLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1O ZINC000806130348 626700588 /nfs/dbraw/zinc/70/05/88/626700588.db2.gz WDEVCWNFCRQYPH-CABCVRRESA-N 1 2 318.804 3.313 20 10 DGCDLO Cc1cnn(C)c1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000809538420 626917350 /nfs/dbraw/zinc/91/73/50/626917350.db2.gz FMRVFSRZTXAOIX-UHFFFAOYSA-N 1 2 311.385 3.230 20 10 DGCDLO Cc1cnn(C)c1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000809538420 626917352 /nfs/dbraw/zinc/91/73/52/626917352.db2.gz FMRVFSRZTXAOIX-UHFFFAOYSA-N 1 2 311.385 3.230 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@@H](C)[S@@]1=O ZINC000809700122 626938459 /nfs/dbraw/zinc/93/84/59/626938459.db2.gz XVLDTHDGWDOUHA-GIQGCJHYSA-N 1 2 315.866 3.085 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@@H](C)[S@@]1=O ZINC000809700122 626938463 /nfs/dbraw/zinc/93/84/63/626938463.db2.gz XVLDTHDGWDOUHA-GIQGCJHYSA-N 1 2 315.866 3.085 20 10 DGCDLO COC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000809732427 626943240 /nfs/dbraw/zinc/94/32/40/626943240.db2.gz DFBMVSFXDSDZSR-UHFFFAOYSA-N 1 2 305.761 3.122 20 10 DGCDLO COCC[N@H+](Cc1cccnc1)Cc1c(O)ccc(Cl)c1F ZINC000809741284 626944684 /nfs/dbraw/zinc/94/46/84/626944684.db2.gz LWNAYTCQOCWECS-UHFFFAOYSA-N 1 2 324.783 3.228 20 10 DGCDLO COCC[N@@H+](Cc1cccnc1)Cc1c(O)ccc(Cl)c1F ZINC000809741284 626944687 /nfs/dbraw/zinc/94/46/87/626944687.db2.gz LWNAYTCQOCWECS-UHFFFAOYSA-N 1 2 324.783 3.228 20 10 DGCDLO COCC[N@H+](Cc1cccnc1)Cc1cc(Cl)cc(F)c1O ZINC000809741656 626945123 /nfs/dbraw/zinc/94/51/23/626945123.db2.gz RLHDKYNLTFYMEE-UHFFFAOYSA-N 1 2 324.783 3.228 20 10 DGCDLO COCC[N@@H+](Cc1cccnc1)Cc1cc(Cl)cc(F)c1O ZINC000809741656 626945125 /nfs/dbraw/zinc/94/51/25/626945125.db2.gz RLHDKYNLTFYMEE-UHFFFAOYSA-N 1 2 324.783 3.228 20 10 DGCDLO CC[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)OC ZINC000810260050 626994518 /nfs/dbraw/zinc/99/45/18/626994518.db2.gz CKHMHTCIEKPIBF-WCBMZHEXSA-N 1 2 320.202 3.369 20 10 DGCDLO COc1cccc(OC)c1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886636150 627177950 /nfs/dbraw/zinc/17/79/50/627177950.db2.gz GSPQTJHVBQPGPP-LLVKDONJSA-N 1 2 305.349 3.399 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc(F)cc(F)c1O ZINC000812736465 627414177 /nfs/dbraw/zinc/41/41/77/627414177.db2.gz BRKIJDLAQQPABO-SNVBAGLBSA-N 1 2 317.339 3.408 20 10 DGCDLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)ccc1N(C)C ZINC000815055753 627619765 /nfs/dbraw/zinc/61/97/65/627619765.db2.gz MIEVLLJEYZSRRZ-DOMZBBRYSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)ccc1N(C)C ZINC000815055753 627619769 /nfs/dbraw/zinc/61/97/69/627619769.db2.gz MIEVLLJEYZSRRZ-DOMZBBRYSA-N 1 2 316.367 3.213 20 10 DGCDLO COCC[N@H+](Cc1ccco1)Cc1cc(Cl)c(F)cc1O ZINC000816490008 627795972 /nfs/dbraw/zinc/79/59/72/627795972.db2.gz JLHFAYQZWKHWOZ-UHFFFAOYSA-N 1 2 313.756 3.426 20 10 DGCDLO CC(C)C[C@@H](CCO)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816554419 627806528 /nfs/dbraw/zinc/80/65/28/627806528.db2.gz YCTWIAKAEXIDLZ-LLVKDONJSA-N 1 2 303.805 3.319 20 10 DGCDLO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816598763 627813460 /nfs/dbraw/zinc/81/34/60/627813460.db2.gz PDENWAMMVGSUAN-KOLCDFICSA-N 1 2 315.772 3.006 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817949372 627971864 /nfs/dbraw/zinc/97/18/64/627971864.db2.gz JWVDKHVQLMCGHJ-VHSXEESVSA-N 1 2 303.233 3.492 20 10 DGCDLO Cc1ccc(NCC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)nc1 ZINC000927073702 628007931 /nfs/dbraw/zinc/00/79/31/628007931.db2.gz OFZSYIDOXBUQQJ-NSHDSACASA-N 1 2 307.344 3.137 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824716378 628687193 /nfs/dbraw/zinc/68/71/93/628687193.db2.gz SZMAHFNHAMQRBC-YUELXQCFSA-N 1 2 313.800 3.310 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824716378 628687194 /nfs/dbraw/zinc/68/71/94/628687194.db2.gz SZMAHFNHAMQRBC-YUELXQCFSA-N 1 2 313.800 3.310 20 10 DGCDLO CC1(C)C[C@H](O)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000825090881 628726436 /nfs/dbraw/zinc/72/64/36/628726436.db2.gz MATJQWRKARLOBI-GFCCVEGCSA-N 1 2 301.789 3.168 20 10 DGCDLO CC1(C)C[C@H](O)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000825090881 628726440 /nfs/dbraw/zinc/72/64/40/628726440.db2.gz MATJQWRKARLOBI-GFCCVEGCSA-N 1 2 301.789 3.168 20 10 DGCDLO COC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000825321905 628749048 /nfs/dbraw/zinc/74/90/48/628749048.db2.gz QNHZZSKUDBFFRP-NSHDSACASA-N 1 2 301.789 3.433 20 10 DGCDLO COC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000825321905 628749051 /nfs/dbraw/zinc/74/90/51/628749051.db2.gz QNHZZSKUDBFFRP-NSHDSACASA-N 1 2 301.789 3.433 20 10 DGCDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000825692032 628786471 /nfs/dbraw/zinc/78/64/71/628786471.db2.gz FOKUNBFXUBHHQV-JTQLQIEISA-N 1 2 314.223 3.154 20 10 DGCDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(Br)cc1O ZINC000825692032 628786474 /nfs/dbraw/zinc/78/64/74/628786474.db2.gz FOKUNBFXUBHHQV-JTQLQIEISA-N 1 2 314.223 3.154 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2cnc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000826768821 628884322 /nfs/dbraw/zinc/88/43/22/628884322.db2.gz FTRQFAZCMKIZLZ-UHFFFAOYSA-N 1 2 303.406 3.053 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2cnc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000826768821 628884323 /nfs/dbraw/zinc/88/43/23/628884323.db2.gz FTRQFAZCMKIZLZ-UHFFFAOYSA-N 1 2 303.406 3.053 20 10 DGCDLO COc1cc(O)c(CNc2c[nH+]cc3c2CCCC3)cc1OC ZINC000826815872 628890746 /nfs/dbraw/zinc/89/07/46/628890746.db2.gz QMQKSKQEPAYYGA-UHFFFAOYSA-N 1 2 314.385 3.295 20 10 DGCDLO Cn1ncc(C2CC2)c1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000827251301 628941730 /nfs/dbraw/zinc/94/17/30/628941730.db2.gz GBPMRZVDUHFGOO-UHFFFAOYSA-N 1 2 309.772 3.085 20 10 DGCDLO Cc1cc(C(=O)C[N@H+]2C[C@H](C)[C@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000830027958 629218387 /nfs/dbraw/zinc/21/83/87/629218387.db2.gz CRGQEIXIIMDCOA-WCQYABFASA-N 1 2 315.392 3.151 20 10 DGCDLO Cc1cc(C(=O)C[N@@H+]2C[C@H](C)[C@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000830027958 629218392 /nfs/dbraw/zinc/21/83/92/629218392.db2.gz CRGQEIXIIMDCOA-WCQYABFASA-N 1 2 315.392 3.151 20 10 DGCDLO CC(C)[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000834733538 629769047 /nfs/dbraw/zinc/76/90/47/629769047.db2.gz NBORWRAPCCCXNB-CJNGLKHVSA-N 1 2 305.418 3.335 20 10 DGCDLO Cc1cc(O)c(C[NH2+]Cc2nccc(C(F)F)n2)c(Cl)c1 ZINC000840945701 630381885 /nfs/dbraw/zinc/38/18/85/630381885.db2.gz VSIIAYUEAVSAOG-UHFFFAOYSA-N 1 2 313.735 3.371 20 10 DGCDLO CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000841030760 630398455 /nfs/dbraw/zinc/39/84/55/630398455.db2.gz QKROSDLOAJVPMZ-LBPRGKRZSA-N 1 2 315.255 3.070 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc(Cl)c1O ZINC000841763018 630463373 /nfs/dbraw/zinc/46/33/73/630463373.db2.gz TUQFCZOXWIRHNU-GWCFXTLKSA-N 1 2 318.795 3.426 20 10 DGCDLO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Br)cc(F)c1O ZINC000842928900 630594587 /nfs/dbraw/zinc/59/45/87/630594587.db2.gz KYZDMPUVNATART-KHQFGBGNSA-N 1 2 318.186 3.122 20 10 DGCDLO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Br)cc(F)c1O ZINC000842928904 630594607 /nfs/dbraw/zinc/59/46/07/630594607.db2.gz KYZDMPUVNATART-WEDXCCLWSA-N 1 2 318.186 3.122 20 10 DGCDLO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1cc(F)cc(F)c1O ZINC000848568307 631697190 /nfs/dbraw/zinc/69/71/90/631697190.db2.gz FFVQIIGRHYWGQT-KNXALSJPSA-N 1 2 310.388 3.338 20 10 DGCDLO Cc1noc([C@@H](C)[N@H+](C)C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000848925771 631790953 /nfs/dbraw/zinc/79/09/53/631790953.db2.gz JXURBNKEHPKTGL-KTRBRXNASA-N 1 2 300.406 3.150 20 10 DGCDLO Cc1noc([C@@H](C)[N@@H+](C)C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000848925771 631790956 /nfs/dbraw/zinc/79/09/56/631790956.db2.gz JXURBNKEHPKTGL-KTRBRXNASA-N 1 2 300.406 3.150 20 10 DGCDLO [NH2+]=C(NCc1cc(Cl)cc(Cl)c1O)Nc1ccccn1 ZINC000849077794 631828386 /nfs/dbraw/zinc/82/83/86/631828386.db2.gz OXBZIEJQFRALKT-UHFFFAOYSA-N 1 2 311.172 3.230 20 10 DGCDLO c1cc(N2CCOCC2)ccc1CNc1c[nH+]cc2c1CCCC2 ZINC000849346856 631899328 /nfs/dbraw/zinc/89/93/28/631899328.db2.gz DVPDVSOXXFHWBK-UHFFFAOYSA-N 1 2 323.440 3.409 20 10 DGCDLO Cc1ccncc1CC[NH2+]Cc1cccc(Br)c1O ZINC000850355026 632123543 /nfs/dbraw/zinc/12/35/43/632123543.db2.gz BJDWTKJRFRXJSQ-UHFFFAOYSA-N 1 2 321.218 3.190 20 10 DGCDLO CC[C@@H]([NH2+]CCc1cncc(C)n1)c1cccc(Cl)c1O ZINC000850549634 632188966 /nfs/dbraw/zinc/18/89/66/632188966.db2.gz IQNCLSTYNTWWDE-OAHLLOKOSA-N 1 2 305.809 3.427 20 10 DGCDLO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000184972194 660196770 /nfs/dbraw/zinc/19/67/70/660196770.db2.gz GILWMCNODJYKED-ZDUSSCGKSA-N 1 2 320.433 3.472 20 10 DGCDLO COCC(C)(C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708097888 660918177 /nfs/dbraw/zinc/91/81/77/660918177.db2.gz AFPHEFWFFGAMHB-UHFFFAOYSA-N 1 2 322.630 3.323 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000793607996 661049259 /nfs/dbraw/zinc/04/92/59/661049259.db2.gz GXOBRIPJMOFKHH-UHFFFAOYSA-N 1 2 301.777 3.254 20 10 DGCDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000795694246 661168443 /nfs/dbraw/zinc/16/84/43/661168443.db2.gz OSAAHCFVSUVOIY-ZUZCIYMTSA-N 1 2 315.335 3.033 20 10 DGCDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000795694246 661168446 /nfs/dbraw/zinc/16/84/46/661168446.db2.gz OSAAHCFVSUVOIY-ZUZCIYMTSA-N 1 2 315.335 3.033 20 10 DGCDLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)C[C@H](C)O1 ZINC000724667062 655807042 /nfs/dbraw/zinc/80/70/42/655807042.db2.gz BMMPJZFINXTFIA-IAZYJMLFSA-N 1 2 314.223 3.200 20 10 DGCDLO C[N@@H+]1CCN(Cc2cccc(F)c2O)[C@H](c2ccccc2)C1 ZINC000317400633 656615983 /nfs/dbraw/zinc/61/59/83/656615983.db2.gz WMSNCRPYGNKMLG-KRWDZBQOSA-N 1 2 300.377 3.020 20 10 DGCDLO C[N@H+]1CCN(Cc2cccc(F)c2O)[C@H](c2ccccc2)C1 ZINC000317400633 656616017 /nfs/dbraw/zinc/61/60/17/656616017.db2.gz WMSNCRPYGNKMLG-KRWDZBQOSA-N 1 2 300.377 3.020 20 10 DGCDLO CN1CC[N@H+](Cc2cccc(F)c2O)[C@H](c2ccccc2)C1 ZINC000317400633 656616020 /nfs/dbraw/zinc/61/60/20/656616020.db2.gz WMSNCRPYGNKMLG-KRWDZBQOSA-N 1 2 300.377 3.020 20 10 DGCDLO CN1CC[N@@H+](Cc2cccc(F)c2O)[C@H](c2ccccc2)C1 ZINC000317400633 656616025 /nfs/dbraw/zinc/61/60/25/656616025.db2.gz WMSNCRPYGNKMLG-KRWDZBQOSA-N 1 2 300.377 3.020 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc(C(C)(C)C)no1 ZINC000237500551 658721740 /nfs/dbraw/zinc/72/17/40/658721740.db2.gz HCRVDHDPRZLZPV-GFCCVEGCSA-N 1 2 302.422 3.284 20 10 DGCDLO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O ZINC000063191307 659370193 /nfs/dbraw/zinc/37/01/93/659370193.db2.gz JOHDIZRBJDHLHW-NOZJJQNGSA-N 1 2 303.233 3.401 20 10 DGCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930905972 661438531 /nfs/dbraw/zinc/43/85/31/661438531.db2.gz YUDLLDHKBXXXHS-UHFFFAOYSA-N 1 2 322.412 3.291 20 10 DGCDLO CCOC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000040689703 661832365 /nfs/dbraw/zinc/83/23/65/661832365.db2.gz QCOIGWVMFJLBON-UHFFFAOYSA-N 1 2 311.809 3.249 20 10 DGCDLO CCC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000093508408 662356067 /nfs/dbraw/zinc/35/60/67/662356067.db2.gz GJDZUQVPRQACDP-CYBMUJFWSA-N 1 2 314.223 3.156 20 10 DGCDLO CCC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000093508408 662356070 /nfs/dbraw/zinc/35/60/70/662356070.db2.gz GJDZUQVPRQACDP-CYBMUJFWSA-N 1 2 314.223 3.156 20 10 DGCDLO C[C@@H](N1CC[NH+](Cc2cc(Cl)ccc2O)CC1)C(F)(F)F ZINC000093883013 662360938 /nfs/dbraw/zinc/36/09/38/662360938.db2.gz ZQNGFRFNVRDGRJ-SNVBAGLBSA-N 1 2 322.758 3.114 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC001462009631 1182896067 /nfs/dbraw/zinc/89/60/67/1182896067.db2.gz YMSLCBYUVGMSPW-UHFFFAOYSA-N 1 2 322.330 3.132 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC001462459716 1182955108 /nfs/dbraw/zinc/95/51/08/1182955108.db2.gz CJVYXSALWONJHQ-UHFFFAOYSA-N 1 2 309.356 3.061 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC001462459716 1182955111 /nfs/dbraw/zinc/95/51/11/1182955111.db2.gz CJVYXSALWONJHQ-UHFFFAOYSA-N 1 2 309.356 3.061 20 10 DGCDLO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccc(F)c(F)c1O ZINC001474335846 1183906220 /nfs/dbraw/zinc/90/62/20/1183906220.db2.gz JIOLYHJLDNSBSB-LBPRGKRZSA-N 1 2 307.340 3.226 20 10 DGCDLO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(F)c(F)c1O ZINC001474335846 1183906221 /nfs/dbraw/zinc/90/62/21/1183906221.db2.gz JIOLYHJLDNSBSB-LBPRGKRZSA-N 1 2 307.340 3.226 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC001474441438 1183922273 /nfs/dbraw/zinc/92/22/73/1183922273.db2.gz OHUORIFSEQRPOP-UHFFFAOYSA-N 1 2 303.789 3.313 20 10 DGCDLO Oc1cc(F)c(F)cc1CN1CC[NH+](Cc2cccs2)CC1 ZINC001560725684 1189369543 /nfs/dbraw/zinc/36/95/43/1189369543.db2.gz MJHGTJYUHFLPOZ-UHFFFAOYSA-N 1 2 324.396 3.050 20 10 DGCDLO O=C(NCc1c(O)ccc2ccccc21)c1cc2c[nH+]ccc2[nH]1 ZINC001645443259 1195184361 /nfs/dbraw/zinc/18/43/61/1195184361.db2.gz KFMWRHBZAYGKNV-UHFFFAOYSA-N 1 2 317.348 3.352 20 10 DGCDLO Cc1nc(CC[NH2+]Cc2cc(Cl)cc(F)c2O)cs1 ZINC001655246442 1195895379 /nfs/dbraw/zinc/89/53/79/1195895379.db2.gz OECOFRXNNBWXFZ-UHFFFAOYSA-N 1 2 300.786 3.282 20 10 DGCDLO Fc1cc2c(c(F)c1)[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CO2 ZINC001656073779 1195994894 /nfs/dbraw/zinc/99/48/94/1195994894.db2.gz KYTPBKZBLVURIM-CQSZACIVSA-N 1 2 303.308 3.123 20 10 DGCDLO C[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCCC[C@H]1O ZINC001656689456 1196062355 /nfs/dbraw/zinc/06/23/55/1196062355.db2.gz XXVBZULUKQCWEL-HIFRSBDPSA-N 1 2 301.789 3.216 20 10 DGCDLO COC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)c(F)c1 ZINC001657116661 1196107776 /nfs/dbraw/zinc/10/77/76/1196107776.db2.gz WDGSEAPNLUVQAN-UHFFFAOYSA-N 1 2 323.751 3.261 20 10 DGCDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001657860224 1196187185 /nfs/dbraw/zinc/18/71/85/1196187185.db2.gz NIQLDBJPQURTRI-IINYFYTJSA-N 1 2 311.809 3.128 20 10 DGCDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001657860224 1196187198 /nfs/dbraw/zinc/18/71/98/1196187198.db2.gz NIQLDBJPQURTRI-IINYFYTJSA-N 1 2 311.809 3.128 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCOc3ccc(O)cc3C2)cc1Cl ZINC001660335055 1196472283 /nfs/dbraw/zinc/47/22/83/1196472283.db2.gz TYEQJOFEOZOUCO-UHFFFAOYSA-N 1 2 319.788 3.454 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCOc3ccc(O)cc3C2)cc1Cl ZINC001660335055 1196472286 /nfs/dbraw/zinc/47/22/86/1196472286.db2.gz TYEQJOFEOZOUCO-UHFFFAOYSA-N 1 2 319.788 3.454 20 10 DGCDLO C[N@H+](CCOc1ccc(F)cc1)Cc1ccc(F)c(F)c1O ZINC001664092194 1196971124 /nfs/dbraw/zinc/97/11/24/1196971124.db2.gz ZPLZMDZRSPRBGV-UHFFFAOYSA-N 1 2 311.303 3.320 20 10 DGCDLO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(F)c(F)c1O ZINC001664092194 1196971129 /nfs/dbraw/zinc/97/11/29/1196971129.db2.gz ZPLZMDZRSPRBGV-UHFFFAOYSA-N 1 2 311.303 3.320 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CF)cc1Br ZINC001233141192 1098236671 /nfs/dbraw/zinc/23/66/71/1098236671.db2.gz DGSBJTGXNWDUKO-SNVBAGLBSA-N 1 2 318.186 3.097 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H]2CF)cc1Br ZINC001233141192 1098236675 /nfs/dbraw/zinc/23/66/75/1098236675.db2.gz DGSBJTGXNWDUKO-SNVBAGLBSA-N 1 2 318.186 3.097 20 10 DGCDLO COc1cc2c(cn1)CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140342344 1082146295 /nfs/dbraw/zinc/14/62/95/1082146295.db2.gz FPQVIYGGEQVGNE-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cc2c(cn1)CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140342344 1082146297 /nfs/dbraw/zinc/14/62/97/1082146297.db2.gz FPQVIYGGEQVGNE-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO Oc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001140466062 1082279108 /nfs/dbraw/zinc/27/91/08/1082279108.db2.gz VRNFRBYSHYVJPR-MRXNPFEDSA-N 1 2 304.777 3.014 20 10 DGCDLO Oc1cc(Cl)ccc1C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001140466062 1082279118 /nfs/dbraw/zinc/27/91/18/1082279118.db2.gz VRNFRBYSHYVJPR-MRXNPFEDSA-N 1 2 304.777 3.014 20 10 DGCDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2O)n1 ZINC001181647997 1083506435 /nfs/dbraw/zinc/50/64/35/1083506435.db2.gz YREVADUVOHZYGL-CYBMUJFWSA-N 1 2 307.781 3.464 20 10 DGCDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2O)n1 ZINC001181647997 1083506439 /nfs/dbraw/zinc/50/64/39/1083506439.db2.gz YREVADUVOHZYGL-CYBMUJFWSA-N 1 2 307.781 3.464 20 10 DGCDLO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cccc(Cl)c1O ZINC001183844584 1084041795 /nfs/dbraw/zinc/04/17/95/1084041795.db2.gz LHNVHHIGGVEFTJ-UHFFFAOYSA-N 1 2 319.788 3.449 20 10 DGCDLO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cccc(Cl)c1O ZINC001183844584 1084041803 /nfs/dbraw/zinc/04/18/03/1084041803.db2.gz LHNVHHIGGVEFTJ-UHFFFAOYSA-N 1 2 319.788 3.449 20 10 DGCDLO COc1cc2[nH+]c(C)nc(NCc3ccc(N)cc3)c2cc1OC ZINC001162785606 1089954276 /nfs/dbraw/zinc/95/42/76/1089954276.db2.gz JUADJLVSAPTESE-UHFFFAOYSA-N 1 2 324.384 3.150 20 10 DGCDLO Cc1ccc(C)n1-c1ccc([NH2+]CCCc2c[nH][nH]c2=O)cc1 ZINC001164373688 1090417169 /nfs/dbraw/zinc/41/71/69/1090417169.db2.gz ALGMPNJHTILUGE-OAHLLOKOSA-N 1 2 310.401 3.018 20 10 DGCDLO Oc1ccccc1C[N@@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001203556212 1090599690 /nfs/dbraw/zinc/59/96/90/1090599690.db2.gz OHURDSPVAUVEIO-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO Oc1ccccc1C[N@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001203556212 1090599694 /nfs/dbraw/zinc/59/96/94/1090599694.db2.gz OHURDSPVAUVEIO-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001203582029 1090761540 /nfs/dbraw/zinc/76/15/40/1090761540.db2.gz MZDRBCJMSKSZHB-IAQYHMDHSA-N 1 2 315.244 3.083 20 10 DGCDLO C[N@@H+]1CCC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]21 ZINC001203584747 1090761829 /nfs/dbraw/zinc/76/18/29/1090761829.db2.gz FCZIBAAXQAJMAT-IINYFYTJSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@H+]1CCC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]21 ZINC001203584747 1090761830 /nfs/dbraw/zinc/76/18/30/1090761830.db2.gz FCZIBAAXQAJMAT-IINYFYTJSA-N 1 2 315.244 3.225 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCc3nc(Cl)ccc3C2)cc1 ZINC001203934420 1090842658 /nfs/dbraw/zinc/84/26/58/1090842658.db2.gz VQZBFRRWWOCSNO-UHFFFAOYSA-N 1 2 301.821 3.359 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCc3nc(Cl)ccc3C2)cc1 ZINC001203934420 1090842661 /nfs/dbraw/zinc/84/26/61/1090842661.db2.gz VQZBFRRWWOCSNO-UHFFFAOYSA-N 1 2 301.821 3.359 20 10 DGCDLO Cc1c(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)c2ccccc2n1C ZINC001138258038 1091126542 /nfs/dbraw/zinc/12/65/42/1091126542.db2.gz JAMFAJUUOOGMCM-OAHLLOKOSA-N 1 2 312.335 3.250 20 10 DGCDLO Cc1c(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)c2ccccc2n1C ZINC001138258038 1091126544 /nfs/dbraw/zinc/12/65/44/1091126544.db2.gz JAMFAJUUOOGMCM-OAHLLOKOSA-N 1 2 312.335 3.250 20 10 DGCDLO Cc1c(C[N@@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)c2ccccc2n1C ZINC001138258042 1091126912 /nfs/dbraw/zinc/12/69/12/1091126912.db2.gz JDRJIDCQHDLVNG-UVBJJODRSA-N 1 2 324.346 3.391 20 10 DGCDLO Cc1c(C[N@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)c2ccccc2n1C ZINC001138258042 1091126915 /nfs/dbraw/zinc/12/69/15/1091126915.db2.gz JDRJIDCQHDLVNG-UVBJJODRSA-N 1 2 324.346 3.391 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001139126593 1091456428 /nfs/dbraw/zinc/45/64/28/1091456428.db2.gz LRAPVGWJGGOVBT-OKILXGFUSA-N 1 2 313.397 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001139126593 1091456432 /nfs/dbraw/zinc/45/64/32/1091456432.db2.gz LRAPVGWJGGOVBT-OKILXGFUSA-N 1 2 313.397 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001139124537 1091457014 /nfs/dbraw/zinc/45/70/14/1091457014.db2.gz BTWFWOOMRVRSOP-ZIAGYGMSSA-N 1 2 313.397 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001139124537 1091457017 /nfs/dbraw/zinc/45/70/17/1091457017.db2.gz BTWFWOOMRVRSOP-ZIAGYGMSSA-N 1 2 313.397 3.429 20 10 DGCDLO Oc1c(F)cccc1C[NH+]1CC(O)(c2cccc3ccccc32)C1 ZINC001206477887 1091644273 /nfs/dbraw/zinc/64/42/73/1091644273.db2.gz RMKPKDACJYQMOF-UHFFFAOYSA-N 1 2 323.367 3.388 20 10 DGCDLO Cc1cccc2nc(CC[NH2+]Cc3cccc(Cl)c3O)cn21 ZINC001206560748 1091670645 /nfs/dbraw/zinc/67/06/45/1091670645.db2.gz WFARJUSZIDHUCI-UHFFFAOYSA-N 1 2 315.804 3.334 20 10 DGCDLO CC[N@H+](Cc1n[nH]c2ccc(OC)cc21)Cc1ccccc1O ZINC001140069120 1091758512 /nfs/dbraw/zinc/75/85/12/1091758512.db2.gz KCROAMOJRLYVKS-UHFFFAOYSA-N 1 2 311.385 3.299 20 10 DGCDLO CC[N@@H+](Cc1n[nH]c2ccc(OC)cc21)Cc1ccccc1O ZINC001140069120 1091758520 /nfs/dbraw/zinc/75/85/20/1091758520.db2.gz KCROAMOJRLYVKS-UHFFFAOYSA-N 1 2 311.385 3.299 20 10 DGCDLO CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1c(O)cccc1Cl ZINC001140341597 1091834511 /nfs/dbraw/zinc/83/45/11/1091834511.db2.gz YQNULJSKZFHDJG-BXUZGUMPSA-N 1 2 311.809 3.209 20 10 DGCDLO Oc1cc(Cl)ccc1C[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001140464718 1091876337 /nfs/dbraw/zinc/87/63/37/1091876337.db2.gz AVRZZAYHIWPDQI-UHFFFAOYSA-N 1 2 307.752 3.448 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCc3cnccc3C2)c(Cl)c1 ZINC001140921768 1092062642 /nfs/dbraw/zinc/06/26/42/1092062642.db2.gz PBFGYAMDTJCDRJ-UHFFFAOYSA-N 1 2 301.821 3.359 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCc3cnccc3C2)c(Cl)c1 ZINC001140921768 1092062653 /nfs/dbraw/zinc/06/26/53/1092062653.db2.gz PBFGYAMDTJCDRJ-UHFFFAOYSA-N 1 2 301.821 3.359 20 10 DGCDLO Cc1cc(C)c(C(=O)NCc2ccc3c(c2)CCCN3C)c(C)[nH+]1 ZINC001142469261 1092484822 /nfs/dbraw/zinc/48/48/22/1092484822.db2.gz FGCWKDNQSPIKJR-UHFFFAOYSA-N 1 2 323.440 3.319 20 10 DGCDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000403832700 1094187636 /nfs/dbraw/zinc/18/76/36/1094187636.db2.gz NTOOTRJVJUETAP-CQSZACIVSA-N 1 2 309.381 3.123 20 10 DGCDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000403832700 1094187638 /nfs/dbraw/zinc/18/76/38/1094187638.db2.gz NTOOTRJVJUETAP-CQSZACIVSA-N 1 2 309.381 3.123 20 10 DGCDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001337042817 1094827710 /nfs/dbraw/zinc/82/77/10/1094827710.db2.gz SMUULXJABLAQNB-OAHLLOKOSA-N 1 2 304.434 3.059 20 10 DGCDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001337042817 1094827722 /nfs/dbraw/zinc/82/77/22/1094827722.db2.gz SMUULXJABLAQNB-OAHLLOKOSA-N 1 2 304.434 3.059 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC2(CC2)C1 ZINC001144292654 1095589013 /nfs/dbraw/zinc/58/90/13/1095589013.db2.gz HNVPMSWIWTXKAI-UHFFFAOYSA-N 1 2 300.171 3.280 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC2(CC2)C1 ZINC001144292654 1095589021 /nfs/dbraw/zinc/58/90/21/1095589021.db2.gz HNVPMSWIWTXKAI-UHFFFAOYSA-N 1 2 300.171 3.280 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001144300174 1095595755 /nfs/dbraw/zinc/59/57/55/1095595755.db2.gz VSPYDGUAATYESO-VIFPVBQESA-N 1 2 320.177 3.475 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001144300174 1095595770 /nfs/dbraw/zinc/59/57/70/1095595770.db2.gz VSPYDGUAATYESO-VIFPVBQESA-N 1 2 320.177 3.475 20 10 DGCDLO CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001117720974 1095814005 /nfs/dbraw/zinc/81/40/05/1095814005.db2.gz IIFPPHMNXYCZBK-KGLIPLIRSA-N 1 2 300.805 3.147 20 10 DGCDLO CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001117720973 1095814566 /nfs/dbraw/zinc/81/45/66/1095814566.db2.gz IIFPPHMNXYCZBK-KBPBESRZSA-N 1 2 300.805 3.147 20 10 DGCDLO Cc1cccnc1N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231909740 1097889059 /nfs/dbraw/zinc/88/90/59/1097889059.db2.gz OLLYGPLCQHPUMP-UHFFFAOYSA-N 1 2 317.820 3.071 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@]1(O)C(F)(F)F ZINC001231910668 1097890090 /nfs/dbraw/zinc/89/00/90/1097890090.db2.gz QESBFNGUVAUBAN-NOZJJQNGSA-N 1 2 323.742 3.181 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@]1(O)C(F)(F)F ZINC001231910668 1097890095 /nfs/dbraw/zinc/89/00/95/1097890095.db2.gz QESBFNGUVAUBAN-NOZJJQNGSA-N 1 2 323.742 3.181 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@@]1(O)C(F)(F)F ZINC001231910671 1097890669 /nfs/dbraw/zinc/89/06/69/1097890669.db2.gz QESBFNGUVAUBAN-RNCFNFMXSA-N 1 2 323.742 3.181 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@]1(O)C(F)(F)F ZINC001231910671 1097890673 /nfs/dbraw/zinc/89/06/73/1097890673.db2.gz QESBFNGUVAUBAN-RNCFNFMXSA-N 1 2 323.742 3.181 20 10 DGCDLO CC(=O)N(C(C)C)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231912963 1097891280 /nfs/dbraw/zinc/89/12/80/1097891280.db2.gz FJMVZWOCXYTJPG-UHFFFAOYSA-N 1 2 324.852 3.267 20 10 DGCDLO Oc1cc(O)c(C[N@@H+]2CCc3ccc(F)cc3C2)cc1Cl ZINC001232264459 1097986216 /nfs/dbraw/zinc/98/62/16/1097986216.db2.gz CDRTXJWZSSQUCJ-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Oc1cc(O)c(C[N@H+]2CCc3ccc(F)cc3C2)cc1Cl ZINC001232264459 1097986219 /nfs/dbraw/zinc/98/62/19/1097986219.db2.gz CDRTXJWZSSQUCJ-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Oc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC001232268232 1097988445 /nfs/dbraw/zinc/98/84/45/1097988445.db2.gz NEIILIOBEPDKJY-KRWDZBQOSA-N 1 2 319.788 3.325 20 10 DGCDLO Oc1cc(O)c(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC001232268232 1097988449 /nfs/dbraw/zinc/98/84/49/1097988449.db2.gz NEIILIOBEPDKJY-KRWDZBQOSA-N 1 2 319.788 3.325 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCc3nc(C)sc3C2)cc1Cl ZINC001232269574 1097988999 /nfs/dbraw/zinc/98/89/99/1097988999.db2.gz FGDCYIPOGAUTEU-UHFFFAOYSA-N 1 2 324.833 3.377 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCc3nc(C)sc3C2)cc1Cl ZINC001232269574 1097989002 /nfs/dbraw/zinc/98/90/02/1097989002.db2.gz FGDCYIPOGAUTEU-UHFFFAOYSA-N 1 2 324.833 3.377 20 10 DGCDLO CCCCCC[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC001233077054 1098218969 /nfs/dbraw/zinc/21/89/69/1098218969.db2.gz CPCIGKIOQJOYCN-UHFFFAOYSA-N 1 2 312.404 3.368 20 10 DGCDLO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001233079110 1098220954 /nfs/dbraw/zinc/22/09/54/1098220954.db2.gz WBPRYFMLGIJFIA-UHFFFAOYSA-N 1 2 321.367 3.444 20 10 DGCDLO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001233079110 1098220961 /nfs/dbraw/zinc/22/09/61/1098220961.db2.gz WBPRYFMLGIJFIA-UHFFFAOYSA-N 1 2 321.367 3.444 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1cc(C(C)(C)C)ccc1O)C1CC1 ZINC001233286713 1098275795 /nfs/dbraw/zinc/27/57/95/1098275795.db2.gz GJNPIAWWZJAIBT-UHFFFAOYSA-N 1 2 305.418 3.217 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)C1CC1 ZINC001233286713 1098275800 /nfs/dbraw/zinc/27/58/00/1098275800.db2.gz GJNPIAWWZJAIBT-UHFFFAOYSA-N 1 2 305.418 3.217 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1O ZINC001233287273 1098276838 /nfs/dbraw/zinc/27/68/38/1098276838.db2.gz FPIMMAJXRRRSNK-UONOGXRCSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1O ZINC001233287273 1098276844 /nfs/dbraw/zinc/27/68/44/1098276844.db2.gz FPIMMAJXRRRSNK-UONOGXRCSA-N 1 2 323.820 3.388 20 10 DGCDLO Oc1ccc(F)c(F)c1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001233334365 1098291237 /nfs/dbraw/zinc/29/12/37/1098291237.db2.gz CVSPGKSTMMCCTR-UHFFFAOYSA-N 1 2 320.339 3.109 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001233332437 1098291877 /nfs/dbraw/zinc/29/18/77/1098291877.db2.gz LEYYDLZDKZKHJZ-LBPRGKRZSA-N 1 2 313.241 3.394 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001233332437 1098291882 /nfs/dbraw/zinc/29/18/82/1098291882.db2.gz LEYYDLZDKZKHJZ-LBPRGKRZSA-N 1 2 313.241 3.394 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1c(O)ccc(F)c1F)CCC2 ZINC001233335734 1098292383 /nfs/dbraw/zinc/29/23/83/1098292383.db2.gz IWXUJUAVVJHNGZ-UHFFFAOYSA-N 1 2 321.323 3.030 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1c(O)ccc(F)c1F)CCC2 ZINC001233335734 1098292385 /nfs/dbraw/zinc/29/23/85/1098292385.db2.gz IWXUJUAVVJHNGZ-UHFFFAOYSA-N 1 2 321.323 3.030 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001233336235 1098293632 /nfs/dbraw/zinc/29/36/32/1098293632.db2.gz DMSXMKJRVWZODG-ZDUSSCGKSA-N 1 2 320.339 3.109 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001233336235 1098293636 /nfs/dbraw/zinc/29/36/36/1098293636.db2.gz DMSXMKJRVWZODG-ZDUSSCGKSA-N 1 2 320.339 3.109 20 10 DGCDLO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)ccc(F)c1F ZINC001233336547 1098294040 /nfs/dbraw/zinc/29/40/40/1098294040.db2.gz PMECLBGZJDTNPB-UHFFFAOYSA-N 1 2 321.323 3.421 20 10 DGCDLO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)ccc(F)c1F ZINC001233336547 1098294047 /nfs/dbraw/zinc/29/40/47/1098294047.db2.gz PMECLBGZJDTNPB-UHFFFAOYSA-N 1 2 321.323 3.421 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001233336234 1098294539 /nfs/dbraw/zinc/29/45/39/1098294539.db2.gz DMSXMKJRVWZODG-CYBMUJFWSA-N 1 2 320.339 3.109 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001233336234 1098294542 /nfs/dbraw/zinc/29/45/42/1098294542.db2.gz DMSXMKJRVWZODG-CYBMUJFWSA-N 1 2 320.339 3.109 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CCCC1=O ZINC001233415737 1098321980 /nfs/dbraw/zinc/32/19/80/1098321980.db2.gz HFBZOJPISOVMSK-JTQLQIEISA-N 1 2 301.308 3.212 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCCC1=O ZINC001233415737 1098321987 /nfs/dbraw/zinc/32/19/87/1098321987.db2.gz HFBZOJPISOVMSK-JTQLQIEISA-N 1 2 301.308 3.212 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC001177548262 1098554584 /nfs/dbraw/zinc/55/45/84/1098554584.db2.gz CTIIMDGUDZMXPO-AWEZNQCLSA-N 1 2 313.731 3.147 20 10 DGCDLO Nc1ccc(N(Cc2ccccc2)C(=O)CCc2[nH]cc[nH+]2)cc1 ZINC001177998029 1098673923 /nfs/dbraw/zinc/67/39/23/1098673923.db2.gz KQOKJUZKHZKDTI-UHFFFAOYSA-N 1 2 320.396 3.158 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[NH+]1CC2CC(C2)C1 ZINC001235306686 1098952234 /nfs/dbraw/zinc/95/22/34/1098952234.db2.gz WZQYAFVXKMRDFL-UHFFFAOYSA-N 1 2 300.171 3.136 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[NH+]1C2CCC1CC2 ZINC001235304308 1098951252 /nfs/dbraw/zinc/95/12/52/1098951252.db2.gz WWOCTXZUHOZFBO-UHFFFAOYSA-N 1 2 300.171 3.421 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCCO[C@@H]1CCCCO1 ZINC001179101158 1099009807 /nfs/dbraw/zinc/00/98/07/1099009807.db2.gz SDINOKXJHXBWGK-CQSZACIVSA-N 1 2 317.788 3.208 20 10 DGCDLO CN(C)c1ccc(/C=C/C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC001180122339 1099321047 /nfs/dbraw/zinc/32/10/47/1099321047.db2.gz RXZYLUBPIKKQJM-DHZHZOJOSA-N 1 2 306.369 3.052 20 10 DGCDLO Oc1cc(Cl)c(Cl)cc1C[NH+]1CC2(C1)CCCOC2 ZINC001236794331 1099790933 /nfs/dbraw/zinc/79/09/33/1099790933.db2.gz RLNVHJDKXRLBOG-UHFFFAOYSA-N 1 2 302.201 3.311 20 10 DGCDLO COc1ccc(C[NH+]2CC3(C2)C[C@H](F)CS3)c(O)c1Cl ZINC001236805603 1099799091 /nfs/dbraw/zinc/79/90/91/1099799091.db2.gz BZYNACMGKYYHQP-JTQLQIEISA-N 1 2 317.813 3.084 20 10 DGCDLO CCOc1ccc(C[NH+]2CC(Oc3ccc(F)cc3)C2)c(O)c1 ZINC001237042747 1099940267 /nfs/dbraw/zinc/94/02/67/1099940267.db2.gz GMPOACLFLICYBL-UHFFFAOYSA-N 1 2 317.360 3.193 20 10 DGCDLO CCOc1ccc(C[NH+]2CC(Oc3ccccc3F)C2)c(O)c1 ZINC001237041967 1099940497 /nfs/dbraw/zinc/94/04/97/1099940497.db2.gz BKTFATHQQJGBSK-UHFFFAOYSA-N 1 2 317.360 3.193 20 10 DGCDLO Cc1ncc(C[N@@H+](C)Cc2c(O)ccc(Cl)c2Cl)cn1 ZINC001237085339 1099964408 /nfs/dbraw/zinc/96/44/08/1099964408.db2.gz YDISDCMAAPUKFW-UHFFFAOYSA-N 1 2 312.200 3.429 20 10 DGCDLO Cc1ncc(C[N@H+](C)Cc2c(O)ccc(Cl)c2Cl)cn1 ZINC001237085339 1099964422 /nfs/dbraw/zinc/96/44/22/1099964422.db2.gz YDISDCMAAPUKFW-UHFFFAOYSA-N 1 2 312.200 3.429 20 10 DGCDLO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCc2cccnc2C1 ZINC001237113771 1099976505 /nfs/dbraw/zinc/97/65/05/1099976505.db2.gz DEAAWDLOIJXJPQ-UHFFFAOYSA-N 1 2 324.302 3.244 20 10 DGCDLO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCc2cccnc2C1 ZINC001237113771 1099976514 /nfs/dbraw/zinc/97/65/14/1099976514.db2.gz DEAAWDLOIJXJPQ-UHFFFAOYSA-N 1 2 324.302 3.244 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCc2ncsc2C1 ZINC001237141063 1099991482 /nfs/dbraw/zinc/99/14/82/1099991482.db2.gz UKNUJLDIQNJCNI-UHFFFAOYSA-N 1 2 314.332 3.426 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@H+]1CCc2ncsc2C1 ZINC001237141063 1099991489 /nfs/dbraw/zinc/99/14/89/1099991489.db2.gz UKNUJLDIQNJCNI-UHFFFAOYSA-N 1 2 314.332 3.426 20 10 DGCDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000691680197 1100028178 /nfs/dbraw/zinc/02/81/78/1100028178.db2.gz UDOBWZRUXYYTMU-GXFFZTMASA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(Br)cc1O ZINC000691680197 1100028187 /nfs/dbraw/zinc/02/81/87/1100028187.db2.gz UDOBWZRUXYYTMU-GXFFZTMASA-N 1 2 314.223 3.154 20 10 DGCDLO CCOC(=O)c1csc(C[N@H+](CC)Cc2ccccc2O)n1 ZINC001237350903 1100089161 /nfs/dbraw/zinc/08/91/61/1100089161.db2.gz OKFUFVMUBQCUNN-UHFFFAOYSA-N 1 2 320.414 3.048 20 10 DGCDLO CCOC(=O)c1csc(C[N@@H+](CC)Cc2ccccc2O)n1 ZINC001237350903 1100089168 /nfs/dbraw/zinc/08/91/68/1100089168.db2.gz OKFUFVMUBQCUNN-UHFFFAOYSA-N 1 2 320.414 3.048 20 10 DGCDLO OCC[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237618350 1100190296 /nfs/dbraw/zinc/19/02/96/1100190296.db2.gz YXYYEKHMFLDJQK-LBPRGKRZSA-N 1 2 313.800 3.169 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(c2ncccn2)CC1 ZINC001237619940 1100190758 /nfs/dbraw/zinc/19/07/58/1100190758.db2.gz GCUMDUQUWVCBRA-UHFFFAOYSA-N 1 2 321.783 3.354 20 10 DGCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC001237933612 1100296518 /nfs/dbraw/zinc/29/65/18/1100296518.db2.gz DWBFQMGPOJPCGQ-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCc2c(O)cccc2C1 ZINC001237933612 1100296523 /nfs/dbraw/zinc/29/65/23/1100296523.db2.gz DWBFQMGPOJPCGQ-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(Cl)cn1 ZINC001238364023 1100425724 /nfs/dbraw/zinc/42/57/24/1100425724.db2.gz NCMXWOBQJLSHHP-UHFFFAOYSA-N 1 2 319.836 3.442 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(Cl)cn1 ZINC001238364023 1100425725 /nfs/dbraw/zinc/42/57/25/1100425725.db2.gz NCMXWOBQJLSHHP-UHFFFAOYSA-N 1 2 319.836 3.442 20 10 DGCDLO CC(C)[NH2+]c1ccc(Nc2ccc3c(c2)C(=O)NCCO3)cc1 ZINC001201497083 1102612422 /nfs/dbraw/zinc/61/24/22/1102612422.db2.gz CEUCKUMNVKGILA-UHFFFAOYSA-N 1 2 311.385 3.373 20 10 DGCDLO Cc1cc(C[N@@H+]2CCC[C@@H](F)C2)c(O)cc1Br ZINC001250129141 1105449349 /nfs/dbraw/zinc/44/93/49/1105449349.db2.gz YUNPZANCLARKKB-LLVKDONJSA-N 1 2 302.187 3.397 20 10 DGCDLO Cc1cc(C[N@H+]2CCC[C@@H](F)C2)c(O)cc1Br ZINC001250129141 1105449350 /nfs/dbraw/zinc/44/93/50/1105449350.db2.gz YUNPZANCLARKKB-LLVKDONJSA-N 1 2 302.187 3.397 20 10 DGCDLO CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC001320481830 1107019443 /nfs/dbraw/zinc/01/94/43/1107019443.db2.gz ZVCWOZYZIUTMPT-LBPRGKRZSA-N 1 2 315.772 3.102 20 10 DGCDLO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC001320481830 1107019456 /nfs/dbraw/zinc/01/94/56/1107019456.db2.gz ZVCWOZYZIUTMPT-LBPRGKRZSA-N 1 2 315.772 3.102 20 10 DGCDLO COc1ccc(N2CC[NH+](Cc3nc(C)sc3C)CC2)cc1 ZINC001319639422 1108569733 /nfs/dbraw/zinc/56/97/33/1108569733.db2.gz RTZBOJMQCCOSRA-UHFFFAOYSA-N 1 2 317.458 3.091 20 10 DGCDLO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC001325357006 1108631164 /nfs/dbraw/zinc/63/11/64/1108631164.db2.gz NGSWMWPVZHEFOO-UWVGGRQHSA-N 1 2 315.360 3.441 20 10 DGCDLO CN(Cc1ccccc1O)c1nc2ccccc2n2c[nH+]cc12 ZINC001307073203 1111262534 /nfs/dbraw/zinc/26/25/34/1111262534.db2.gz RKTOPHSONYUYDG-UHFFFAOYSA-N 1 2 304.353 3.225 20 10 DGCDLO COc1nc(C)cc(C)c1C[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001308880659 1111488406 /nfs/dbraw/zinc/48/84/06/1111488406.db2.gz NVVHRHVQBOMGAX-UHFFFAOYSA-N 1 2 322.355 3.323 20 10 DGCDLO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001308880659 1111488407 /nfs/dbraw/zinc/48/84/07/1111488407.db2.gz NVVHRHVQBOMGAX-UHFFFAOYSA-N 1 2 322.355 3.323 20 10 DGCDLO COC(=O)c1cc(C[N@H+](C)Cc2cccc(Cl)c2O)oc1C ZINC000179634089 432065646 /nfs/dbraw/zinc/06/56/46/432065646.db2.gz XZQWHGCMUPSVDC-UHFFFAOYSA-N 1 2 323.776 3.366 20 10 DGCDLO COC(=O)c1cc(C[N@@H+](C)Cc2cccc(Cl)c2O)oc1C ZINC000179634089 432065648 /nfs/dbraw/zinc/06/56/48/432065648.db2.gz XZQWHGCMUPSVDC-UHFFFAOYSA-N 1 2 323.776 3.366 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)c1nncn1C ZINC000273568658 299345130 /nfs/dbraw/zinc/34/51/30/299345130.db2.gz KDSLJHUWDRDUCR-YUMQZZPRSA-N 1 2 315.204 3.239 20 10 DGCDLO COc1ccc(N2CC[NH+](Cc3cnc(Cl)s3)CC2)cc1 ZINC000094194770 193348974 /nfs/dbraw/zinc/34/89/74/193348974.db2.gz WAVXTMMFJBTCSY-UHFFFAOYSA-N 1 2 323.849 3.127 20 10 DGCDLO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000189410767 284302743 /nfs/dbraw/zinc/30/27/43/284302743.db2.gz LCSPVNVMRFMKGY-DTWKUNHWSA-N 1 2 319.232 3.216 20 10 DGCDLO COc1cc(C)cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273502019 130129760 /nfs/dbraw/zinc/12/97/60/130129760.db2.gz QGNFCWKFVCEKRI-LBPRGKRZSA-N 1 2 316.357 3.468 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+]C(C)(C)c2nc(C)no2)cc1 ZINC000284187213 131057862 /nfs/dbraw/zinc/05/78/62/131057862.db2.gz YBMDWNWEHNBCAM-UHFFFAOYSA-N 1 2 302.422 3.249 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c1O ZINC000286123943 131220417 /nfs/dbraw/zinc/22/04/17/131220417.db2.gz MGXBVVUDILYEPX-OAHLLOKOSA-N 1 2 319.792 3.308 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1O ZINC000286123943 131220419 /nfs/dbraw/zinc/22/04/19/131220419.db2.gz MGXBVVUDILYEPX-OAHLLOKOSA-N 1 2 319.792 3.308 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cccc(Cl)c1O ZINC000287117193 131264321 /nfs/dbraw/zinc/26/43/21/131264321.db2.gz QWHJSYSELLZPCS-FZMZJTMJSA-N 1 2 310.825 3.097 20 10 DGCDLO CC[C@H]([NH2+]Cc1cnnn1C)c1cc(Cl)cc(Cl)c1O ZINC000287168078 131267504 /nfs/dbraw/zinc/26/75/04/131267504.db2.gz CAWIJLGNPBSBNG-LBPRGKRZSA-N 1 2 315.204 3.068 20 10 DGCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)no1 ZINC000289589508 131399051 /nfs/dbraw/zinc/39/90/51/131399051.db2.gz AVHMGVBWGAPIRO-STQMWFEESA-N 1 2 319.405 3.340 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](Cc2ccn(C)n2)Cc2ccco2)cc1 ZINC000289949220 131437316 /nfs/dbraw/zinc/43/73/16/131437316.db2.gz XTZWDGSWFZTRKJ-UHFFFAOYSA-N 1 2 324.428 3.282 20 10 DGCDLO CN(C)c1ccc(C[N@H+](Cc2ccn(C)n2)Cc2ccco2)cc1 ZINC000289949220 131437317 /nfs/dbraw/zinc/43/73/17/131437317.db2.gz XTZWDGSWFZTRKJ-UHFFFAOYSA-N 1 2 324.428 3.282 20 10 DGCDLO Cc1nc(C2([NH2+]Cc3ccc(N(C)C)cc3)CCCCC2)no1 ZINC000299576927 132111916 /nfs/dbraw/zinc/11/19/16/132111916.db2.gz HTXYKMOTUGJKCD-UHFFFAOYSA-N 1 2 314.433 3.393 20 10 DGCDLO CC[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc(Cl)c1O ZINC000287115056 286904917 /nfs/dbraw/zinc/90/49/17/286904917.db2.gz QSJPOMXCEFOFID-XCLFUZPHSA-N 1 2 315.866 3.388 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)[C@@H](O)c1ccccc1 ZINC000290157007 287051146 /nfs/dbraw/zinc/05/11/46/287051146.db2.gz DARSAOLTIPTFHH-LYOVBCGYSA-N 1 2 307.340 3.443 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000383976620 685169097 /nfs/dbraw/zinc/16/90/97/685169097.db2.gz JLXWWBNRKVTSQQ-SECBINFHSA-N 1 2 306.150 3.432 20 10 DGCDLO CC[N@H+](Cc1ccon1)Cc1cc(Br)ccc1O ZINC000076118526 431528525 /nfs/dbraw/zinc/52/85/25/431528525.db2.gz GOQQRIBTHTXXKC-UHFFFAOYSA-N 1 2 311.179 3.165 20 10 DGCDLO CC[N@@H+](Cc1ccon1)Cc1cc(Br)ccc1O ZINC000076118526 431528534 /nfs/dbraw/zinc/52/85/34/431528534.db2.gz GOQQRIBTHTXXKC-UHFFFAOYSA-N 1 2 311.179 3.165 20 10 DGCDLO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000037155613 431845120 /nfs/dbraw/zinc/84/51/20/431845120.db2.gz ZGIRQEOVOWMNLG-VIFPVBQESA-N 1 2 300.189 3.074 20 10 DGCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H](O)c1cccc(F)c1 ZINC000271858912 432426705 /nfs/dbraw/zinc/42/67/05/432426705.db2.gz VLGQGKGTAPWURF-MEBBXXQBSA-N 1 2 309.768 3.396 20 10 DGCDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](O)c1cccc(F)c1 ZINC000271858909 432426976 /nfs/dbraw/zinc/42/69/76/432426976.db2.gz VLGQGKGTAPWURF-BONVTDFDSA-N 1 2 309.768 3.396 20 10 DGCDLO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(Cl)c(Cl)c1O ZINC000185113403 432468770 /nfs/dbraw/zinc/46/87/70/432468770.db2.gz GNFJHRQRSHPDTJ-QMMMGPOBSA-N 1 2 300.189 3.283 20 10 DGCDLO CCc1cnc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000273624090 432618781 /nfs/dbraw/zinc/61/87/81/432618781.db2.gz ZUZYXTSYMZQSAL-SECBINFHSA-N 1 2 307.375 3.170 20 10 DGCDLO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(Cl)c1O ZINC000227690959 432714053 /nfs/dbraw/zinc/71/40/53/432714053.db2.gz BTOWXXYJBVEDLM-SNVBAGLBSA-N 1 2 314.813 3.048 20 10 DGCDLO C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1O ZINC000187668303 432675932 /nfs/dbraw/zinc/67/59/32/432675932.db2.gz SLWAMUIRHJUYQT-LKFCYVNXSA-N 1 2 311.303 3.194 20 10 DGCDLO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187754945 432682689 /nfs/dbraw/zinc/68/26/89/432682689.db2.gz DDANUTCSZLZXBW-BXKDBHETSA-N 1 2 322.359 3.010 20 10 DGCDLO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187805603 432687056 /nfs/dbraw/zinc/68/70/56/432687056.db2.gz RYFVRBFAIPIMIO-MEBBXXQBSA-N 1 2 301.377 3.364 20 10 DGCDLO CC[C@@H]([NH2+]Cc1csc(COC)n1)c1ccc(F)cc1O ZINC000289901892 432979114 /nfs/dbraw/zinc/97/91/14/432979114.db2.gz TYIVYGYMKLJCCO-CYBMUJFWSA-N 1 2 310.394 3.375 20 10 DGCDLO C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000279643044 432989356 /nfs/dbraw/zinc/98/93/56/432989356.db2.gz JMPHQVVWWQVAFK-CQSZACIVSA-N 1 2 304.217 3.436 20 10 DGCDLO C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000279643044 432989361 /nfs/dbraw/zinc/98/93/61/432989361.db2.gz JMPHQVVWWQVAFK-CQSZACIVSA-N 1 2 304.217 3.436 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1F ZINC000374266979 433182345 /nfs/dbraw/zinc/18/23/45/433182345.db2.gz BPEAXSOGWHSOLH-QGZVFWFLSA-N 1 2 304.365 3.058 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1F ZINC000374266979 433182355 /nfs/dbraw/zinc/18/23/55/433182355.db2.gz BPEAXSOGWHSOLH-QGZVFWFLSA-N 1 2 304.365 3.058 20 10 DGCDLO OC[C@]1(C[NH2+]Cc2cccc(Cl)c2O)C[C@@H]1c1ccccc1 ZINC000291692041 433317273 /nfs/dbraw/zinc/31/72/73/433317273.db2.gz YFFMVJNLVLWSHH-CRAIPNDOSA-N 1 2 317.816 3.301 20 10 DGCDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cc(Cl)ccc2O)cn1 ZINC000191738016 294302604 /nfs/dbraw/zinc/30/26/04/294302604.db2.gz VHRPJFWXRGEOPB-CQSZACIVSA-N 1 2 323.849 3.069 20 10 DGCDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2cc(Cl)ccc2O)cn1 ZINC000191738016 294302607 /nfs/dbraw/zinc/30/26/07/294302607.db2.gz VHRPJFWXRGEOPB-CQSZACIVSA-N 1 2 323.849 3.069 20 10 DGCDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000378444363 434179419 /nfs/dbraw/zinc/17/94/19/434179419.db2.gz PTBDVKOYPWOYJW-OAHLLOKOSA-N 1 2 305.809 3.425 20 10 DGCDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000378444363 434179425 /nfs/dbraw/zinc/17/94/25/434179425.db2.gz PTBDVKOYPWOYJW-OAHLLOKOSA-N 1 2 305.809 3.425 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@@H+]2Cc2cccc(C)c2O)no1 ZINC000378442586 434180761 /nfs/dbraw/zinc/18/07/61/434180761.db2.gz KEVBSHQDRRDFLN-CQSZACIVSA-N 1 2 301.390 3.373 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@H+]2Cc2cccc(C)c2O)no1 ZINC000378442586 434180773 /nfs/dbraw/zinc/18/07/73/434180773.db2.gz KEVBSHQDRRDFLN-CQSZACIVSA-N 1 2 301.390 3.373 20 10 DGCDLO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1O ZINC000287643184 434421039 /nfs/dbraw/zinc/42/10/39/434421039.db2.gz KYHFFAYWNOVYQD-SMDDNHRTSA-N 1 2 320.824 3.001 20 10 DGCDLO CC[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc(Cl)c1O ZINC000367567671 434550754 /nfs/dbraw/zinc/55/07/54/434550754.db2.gz UZJORKSKAPNKGF-BXUZGUMPSA-N 1 2 305.809 3.367 20 10 DGCDLO O=C([C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O)N1CCCC1 ZINC000368460628 434575630 /nfs/dbraw/zinc/57/56/30/434575630.db2.gz APLGFLAMFHMQBK-OAHLLOKOSA-N 1 2 322.836 3.023 20 10 DGCDLO O=C([C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O)N1CCCC1 ZINC000368460628 434575637 /nfs/dbraw/zinc/57/56/37/434575637.db2.gz APLGFLAMFHMQBK-OAHLLOKOSA-N 1 2 322.836 3.023 20 10 DGCDLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2cc(C)c(C)cc2O)no1 ZINC000372840073 434858416 /nfs/dbraw/zinc/85/84/16/434858416.db2.gz UGRPQSVWBVBOHN-HNNXBMFYSA-N 1 2 301.390 3.428 20 10 DGCDLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2cc(C)c(C)cc2O)no1 ZINC000372840073 434858418 /nfs/dbraw/zinc/85/84/18/434858418.db2.gz UGRPQSVWBVBOHN-HNNXBMFYSA-N 1 2 301.390 3.428 20 10 DGCDLO CCn1cc[nH+]c1/C=C\C(=O)NCc1c(C)c2ccccc2n1C ZINC000492735801 435042411 /nfs/dbraw/zinc/04/24/11/435042411.db2.gz MVRWRCXDHLZSRZ-KTKRTIGZSA-N 1 2 322.412 3.033 20 10 DGCDLO CCc1noc(C)c1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000293676019 335114833 /nfs/dbraw/zinc/11/48/33/335114833.db2.gz JZEVFNNRLDZIDI-VIFPVBQESA-N 1 2 305.334 3.010 20 10 DGCDLO CCCOc1ccc(C[NH2+][C@@H](C)C(=O)OC(C)(C)C)c(O)c1 ZINC000158031527 520369353 /nfs/dbraw/zinc/36/93/53/520369353.db2.gz HGOUOFYYMWMVAV-LBPRGKRZSA-N 1 2 309.406 3.001 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000158108285 526329826 /nfs/dbraw/zinc/32/98/26/526329826.db2.gz RCJRRUSWKLLTSG-SNVBAGLBSA-N 1 2 322.758 3.019 20 10 DGCDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000180060022 526348699 /nfs/dbraw/zinc/34/86/99/526348699.db2.gz MRNMQIXUUZCBKZ-KRWDZBQOSA-N 1 2 305.324 3.244 20 10 DGCDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000180060022 526348701 /nfs/dbraw/zinc/34/87/01/526348701.db2.gz MRNMQIXUUZCBKZ-KRWDZBQOSA-N 1 2 305.324 3.244 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nccn2C)cc1F ZINC000272882779 535683107 /nfs/dbraw/zinc/68/31/07/535683107.db2.gz YBJWNFOLMFDBNG-UHFFFAOYSA-N 1 2 304.413 3.037 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nccn2C)cc1F ZINC000272882779 535683113 /nfs/dbraw/zinc/68/31/13/535683113.db2.gz YBJWNFOLMFDBNG-UHFFFAOYSA-N 1 2 304.413 3.037 20 10 DGCDLO COCCc1cc[nH+]c(N[C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000287578307 536831832 /nfs/dbraw/zinc/83/18/32/536831832.db2.gz QXTHLMYRKIFSIH-SNVBAGLBSA-N 1 2 308.328 3.427 20 10 DGCDLO COC(=O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000732203034 574567779 /nfs/dbraw/zinc/56/77/79/574567779.db2.gz LXZGTPKALALHTE-UHFFFAOYSA-N 1 2 319.788 3.221 20 10 DGCDLO COC(=O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1O ZINC000732203034 574567781 /nfs/dbraw/zinc/56/77/81/574567781.db2.gz LXZGTPKALALHTE-UHFFFAOYSA-N 1 2 319.788 3.221 20 10 DGCDLO CCc1nc(C[N@H+](Cc2ccccc2O)C2CCCC2)no1 ZINC000732205000 574568299 /nfs/dbraw/zinc/56/82/99/574568299.db2.gz XCGMUZWNCVUNDT-UHFFFAOYSA-N 1 2 301.390 3.282 20 10 DGCDLO CCc1nc(C[N@@H+](Cc2ccccc2O)C2CCCC2)no1 ZINC000732205000 574568300 /nfs/dbraw/zinc/56/83/00/574568300.db2.gz XCGMUZWNCVUNDT-UHFFFAOYSA-N 1 2 301.390 3.282 20 10 DGCDLO CN1C(=O)C2(CCCC2)[NH2+][C@@H]1c1cc(-c2ccccc2)ccc1O ZINC000742438851 575000052 /nfs/dbraw/zinc/00/00/52/575000052.db2.gz GGIOFEBBKFWHOG-SFHVURJKSA-N 1 2 322.408 3.432 20 10 DGCDLO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cccc(Br)c1O ZINC000743499197 575054414 /nfs/dbraw/zinc/05/44/14/575054414.db2.gz JJMGGZFPIOEQIX-JQWIXIFHSA-N 1 2 316.239 3.041 20 10 DGCDLO C[C@H]1CCN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000744449908 575343844 /nfs/dbraw/zinc/34/38/44/575343844.db2.gz HWGCLENUXCLPMD-JTQLQIEISA-N 1 2 303.233 3.130 20 10 DGCDLO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000746756597 575473705 /nfs/dbraw/zinc/47/37/05/575473705.db2.gz UVWZBMSDXILOKQ-VXGBXAGGSA-N 1 2 314.223 3.202 20 10 DGCDLO C[C@@H](C[NH2+]Cc1cccc(Br)c1O)c1ccncc1 ZINC000749297235 575643290 /nfs/dbraw/zinc/64/32/90/575643290.db2.gz RYOOCHDQRMKFRG-NSHDSACASA-N 1 2 321.218 3.443 20 10 DGCDLO Cc1cc(C(=O)NCc2[nH]cc[nH+]2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749387532 575650212 /nfs/dbraw/zinc/65/02/12/575650212.db2.gz IQSPYIMFYYRMOU-UHFFFAOYSA-N 1 2 322.412 3.364 20 10 DGCDLO Cc1cc(C[N@@H+]2CCO[C@H](CC(F)(F)F)C2)ccc1N(C)C ZINC000852741073 620644642 /nfs/dbraw/zinc/64/46/42/620644642.db2.gz VSYVZKZVOQKPOW-CQSZACIVSA-N 1 2 316.367 3.214 20 10 DGCDLO Cc1cc(C[N@H+]2CCO[C@H](CC(F)(F)F)C2)ccc1N(C)C ZINC000852741073 620644644 /nfs/dbraw/zinc/64/46/44/620644644.db2.gz VSYVZKZVOQKPOW-CQSZACIVSA-N 1 2 316.367 3.214 20 10 DGCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@H](CC(F)(F)F)C2)cc1 ZINC000852741212 620644667 /nfs/dbraw/zinc/64/46/67/620644667.db2.gz XTVUBQZFVIDPFB-OAHLLOKOSA-N 1 2 316.367 3.296 20 10 DGCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@H](CC(F)(F)F)C2)cc1 ZINC000852741212 620644670 /nfs/dbraw/zinc/64/46/70/620644670.db2.gz XTVUBQZFVIDPFB-OAHLLOKOSA-N 1 2 316.367 3.296 20 10 DGCDLO COc1ccc(N2CC[C@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)cc1 ZINC000853758744 620734587 /nfs/dbraw/zinc/73/45/87/620734587.db2.gz JYSNMFHGKJQVNK-HNNXBMFYSA-N 1 2 324.428 3.362 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1[O-] ZINC000806159997 617618838 /nfs/dbraw/zinc/61/88/38/617618838.db2.gz DAOMWNQNGNLLSG-RISCZKNCSA-N 1 2 305.809 3.298 20 10 DGCDLO CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1[O-] ZINC000806159995 617618847 /nfs/dbraw/zinc/61/88/47/617618847.db2.gz DAOMWNQNGNLLSG-BXUZGUMPSA-N 1 2 305.809 3.298 20 10 DGCDLO CC(C)C[C@H](C(=O)NCc1cccc(Cl)c1O)n1cc[nH+]c1 ZINC000890760840 617657127 /nfs/dbraw/zinc/65/71/27/617657127.db2.gz APOCFSNIGHOZPX-CQSZACIVSA-N 1 2 321.808 3.146 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000894885374 618488213 /nfs/dbraw/zinc/48/82/13/618488213.db2.gz BPDXNFGRTRKGGN-NUEKZKHPSA-N 1 2 311.372 3.186 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000894885374 618488214 /nfs/dbraw/zinc/48/82/14/618488214.db2.gz BPDXNFGRTRKGGN-NUEKZKHPSA-N 1 2 311.372 3.186 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000895326989 618595531 /nfs/dbraw/zinc/59/55/31/618595531.db2.gz KEJNBFQDHPLODY-IUCAKERBSA-N 1 2 300.171 3.136 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000895326989 618595533 /nfs/dbraw/zinc/59/55/33/618595533.db2.gz KEJNBFQDHPLODY-IUCAKERBSA-N 1 2 300.171 3.136 20 10 DGCDLO CCn1nc(C)c(C[N@H+](C)Cc2cc(F)cc(F)c2O)c1C ZINC000895417008 618781517 /nfs/dbraw/zinc/78/15/17/618781517.db2.gz LFYFDRBJUZKQMO-UHFFFAOYSA-N 1 2 309.360 3.136 20 10 DGCDLO CCn1nc(C)c(C[N@@H+](C)Cc2cc(F)cc(F)c2O)c1C ZINC000895417008 618781518 /nfs/dbraw/zinc/78/15/18/618781518.db2.gz LFYFDRBJUZKQMO-UHFFFAOYSA-N 1 2 309.360 3.136 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H]1CCCOC1 ZINC000895661346 618813628 /nfs/dbraw/zinc/81/36/28/618813628.db2.gz ABKAPFGPFANIIG-IINYFYTJSA-N 1 2 301.789 3.480 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H]1CCCOC1 ZINC000895661347 618813853 /nfs/dbraw/zinc/81/38/53/618813853.db2.gz ABKAPFGPFANIIG-QMTHXVAHSA-N 1 2 301.789 3.480 20 10 DGCDLO FC(F)c1noc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000895728122 618824014 /nfs/dbraw/zinc/82/40/14/618824014.db2.gz GFUCIJWYWODCDL-UHFFFAOYSA-N 1 2 322.359 3.287 20 10 DGCDLO Cc1csc(C[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC000897301525 619049095 /nfs/dbraw/zinc/04/90/95/619049095.db2.gz LROZVLBPQJFPJK-LLVKDONJSA-N 1 2 324.396 3.500 20 10 DGCDLO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC000897301525 619049098 /nfs/dbraw/zinc/04/90/98/619049098.db2.gz LROZVLBPQJFPJK-LLVKDONJSA-N 1 2 324.396 3.500 20 10 DGCDLO Cc1csc(C[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC000897301526 619049359 /nfs/dbraw/zinc/04/93/59/619049359.db2.gz LROZVLBPQJFPJK-NSHDSACASA-N 1 2 324.396 3.500 20 10 DGCDLO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC000897301526 619049361 /nfs/dbraw/zinc/04/93/61/619049361.db2.gz LROZVLBPQJFPJK-NSHDSACASA-N 1 2 324.396 3.500 20 10 DGCDLO CC(C)(C)c1ncc(C[NH2+]Cc2cccc(Cl)c2O)cn1 ZINC000898218201 619222414 /nfs/dbraw/zinc/22/24/14/619222414.db2.gz APZVIYJGFNVITC-UHFFFAOYSA-N 1 2 305.809 3.423 20 10 DGCDLO COc1ccc(C[NH2+]Cc2cccc(Cl)c2O)c(O)c1OC ZINC000898216435 619222445 /nfs/dbraw/zinc/22/24/45/619222445.db2.gz XJJCUXJNANZEJD-UHFFFAOYSA-N 1 2 323.776 3.058 20 10 DGCDLO CC[C@H]([NH2+]Cc1cn(C)nc1OC)c1cccc(Cl)c1O ZINC000903338585 619760081 /nfs/dbraw/zinc/76/00/81/619760081.db2.gz RHJRASXEJXKXAX-ZDUSSCGKSA-N 1 2 309.797 3.029 20 10 DGCDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC000921840176 620960028 /nfs/dbraw/zinc/96/00/28/620960028.db2.gz YGJPHZOLNGRYGW-UHFFFAOYSA-N 1 2 317.458 3.450 20 10 DGCDLO COC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccco1 ZINC000858148512 621158936 /nfs/dbraw/zinc/15/89/36/621158936.db2.gz ZXJGPXPAGYGREG-CQSZACIVSA-N 1 2 310.344 3.101 20 10 DGCDLO CCn1ccnc1[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000858172118 621160874 /nfs/dbraw/zinc/16/08/74/621160874.db2.gz KLCYEDFOSUWJSG-JTQLQIEISA-N 1 2 324.222 3.222 20 10 DGCDLO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000858584103 621207123 /nfs/dbraw/zinc/20/71/23/621207123.db2.gz MFVVBBJIJWFBHV-CIUDSAMLSA-N 1 2 318.186 3.122 20 10 DGCDLO CO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000858584292 621207176 /nfs/dbraw/zinc/20/71/76/621207176.db2.gz PIRFYVHPSTWNBJ-SZEHBUNVSA-N 1 2 318.186 3.122 20 10 DGCDLO CC[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cccc(Cl)c1O ZINC000858602852 621208868 /nfs/dbraw/zinc/20/88/68/621208868.db2.gz KFHLDLCKZWWOCD-CABCVRRESA-N 1 2 322.836 3.240 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000753596045 621452641 /nfs/dbraw/zinc/45/26/41/621452641.db2.gz QWLQTHZPHZUBAP-OAHLLOKOSA-N 1 2 323.795 3.268 20 10 DGCDLO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1F ZINC000862309214 621573647 /nfs/dbraw/zinc/57/36/47/621573647.db2.gz NJRYRCFGNFYKSY-LLVKDONJSA-N 1 2 320.330 3.234 20 10 DGCDLO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](OC(F)F)C2)cc1F ZINC000862309214 621573650 /nfs/dbraw/zinc/57/36/50/621573650.db2.gz NJRYRCFGNFYKSY-LLVKDONJSA-N 1 2 320.330 3.234 20 10 DGCDLO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756381539 621633497 /nfs/dbraw/zinc/63/34/97/621633497.db2.gz MSIXEYXREKCAQW-HWPZZCPQSA-N 1 2 323.339 3.063 20 10 DGCDLO C[C@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000756410717 621636435 /nfs/dbraw/zinc/63/64/35/621636435.db2.gz KJTKFRYOCQZGDT-AGIUHOORSA-N 1 2 312.404 3.441 20 10 DGCDLO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756615981 621653211 /nfs/dbraw/zinc/65/32/11/621653211.db2.gz YABBQIFONDJEIR-NXEZZACHSA-N 1 2 323.387 3.303 20 10 DGCDLO C[C@H]([NH2+]Cc1ccon1)c1cc(Br)cc(F)c1O ZINC000756635747 621654688 /nfs/dbraw/zinc/65/46/88/621654688.db2.gz HIHIAHHMTZQDKN-ZETCQYMHSA-N 1 2 315.142 3.133 20 10 DGCDLO C[C@@H]([NH2+]CCCNc1ccccn1)c1cc(F)cc(F)c1O ZINC000756642642 621655270 /nfs/dbraw/zinc/65/52/70/621655270.db2.gz PEQQPAPJWLVZLU-LLVKDONJSA-N 1 2 307.344 3.218 20 10 DGCDLO C[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756713065 621659481 /nfs/dbraw/zinc/65/94/81/621659481.db2.gz SPVADNMRZFGIIX-PRXAMGSTSA-N 1 2 321.367 3.486 20 10 DGCDLO C[C@H]([NH2+][C@H]1CCSC1)c1cc(Br)cc(F)c1O ZINC000756730860 621661142 /nfs/dbraw/zinc/66/11/42/621661142.db2.gz CAVAHPSCJHHFHC-CBAPKCEASA-N 1 2 320.227 3.450 20 10 DGCDLO Cc1cccc(NCC[NH2+][C@H](C)c2cc(F)cc(F)c2O)n1 ZINC000756744908 621662296 /nfs/dbraw/zinc/66/22/96/621662296.db2.gz DPYDEROKZZCACE-LLVKDONJSA-N 1 2 307.344 3.137 20 10 DGCDLO C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1cc(F)cc(F)c1O ZINC000756787985 621664756 /nfs/dbraw/zinc/66/47/56/621664756.db2.gz AMASOHCNCNUUQJ-LLVKDONJSA-N 1 2 307.340 3.056 20 10 DGCDLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1ccc(F)cc1O ZINC000756867240 621669182 /nfs/dbraw/zinc/66/91/82/621669182.db2.gz HKHGWORDDXUFTL-LLVKDONJSA-N 1 2 312.348 3.167 20 10 DGCDLO COc1cc(Cl)cc(CNc2ccc(N(C)C)c[nH+]2)c1O ZINC000761216669 621995355 /nfs/dbraw/zinc/99/53/55/621995355.db2.gz VMDLHGMFPVTBDB-UHFFFAOYSA-N 1 2 307.781 3.127 20 10 DGCDLO CC/C=C/CC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000767325765 622390353 /nfs/dbraw/zinc/39/03/53/622390353.db2.gz XIDSYUDKDUAZNR-SNAWJCMRSA-N 1 2 311.809 3.377 20 10 DGCDLO CC/C=C/CC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000767325765 622390356 /nfs/dbraw/zinc/39/03/56/622390356.db2.gz XIDSYUDKDUAZNR-SNAWJCMRSA-N 1 2 311.809 3.377 20 10 DGCDLO COc1ccc(N2CC[NH+](Cc3cc(F)cc(F)c3)CC2)cc1 ZINC000768140633 622441402 /nfs/dbraw/zinc/44/14/02/622441402.db2.gz QNCCUTFTDSIOSO-UHFFFAOYSA-N 1 2 318.367 3.296 20 10 DGCDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1cc2c(cc1O)CCCC2 ZINC000768448700 622457013 /nfs/dbraw/zinc/45/70/13/622457013.db2.gz WMYZZBRFWMKONE-UHFFFAOYSA-N 1 2 305.418 3.045 20 10 DGCDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1cc2c(cc1O)CCCC2 ZINC000768448700 622457017 /nfs/dbraw/zinc/45/70/17/622457017.db2.gz WMYZZBRFWMKONE-UHFFFAOYSA-N 1 2 305.418 3.045 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)C(C)(C)C(=O)OC)cc1F ZINC000769305124 622515583 /nfs/dbraw/zinc/51/55/83/622515583.db2.gz IKUFIDHMMLYPOC-UHFFFAOYSA-N 1 2 310.413 3.055 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)C(C)(C)C(=O)OC)cc1F ZINC000769305124 622515585 /nfs/dbraw/zinc/51/55/85/622515585.db2.gz IKUFIDHMMLYPOC-UHFFFAOYSA-N 1 2 310.413 3.055 20 10 DGCDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000769369002 622521169 /nfs/dbraw/zinc/52/11/69/622521169.db2.gz IUEXWCDEAHFEHL-UHFFFAOYSA-N 1 2 310.397 3.055 20 10 DGCDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1)C2 ZINC000769369002 622521172 /nfs/dbraw/zinc/52/11/72/622521172.db2.gz IUEXWCDEAHFEHL-UHFFFAOYSA-N 1 2 310.397 3.055 20 10 DGCDLO COc1cccc(O)c1C[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000769394006 622524064 /nfs/dbraw/zinc/52/40/64/622524064.db2.gz HFQOPRNFZCDWEL-UHFFFAOYSA-N 1 2 318.442 3.368 20 10 DGCDLO COc1cccc(O)c1C[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000769394006 622524067 /nfs/dbraw/zinc/52/40/67/622524067.db2.gz HFQOPRNFZCDWEL-UHFFFAOYSA-N 1 2 318.442 3.368 20 10 DGCDLO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000769468375 622530085 /nfs/dbraw/zinc/53/00/85/622530085.db2.gz GTPOJVOSVPPXRG-UHFFFAOYSA-N 1 2 305.381 3.341 20 10 DGCDLO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000769468375 622530087 /nfs/dbraw/zinc/53/00/87/622530087.db2.gz GTPOJVOSVPPXRG-UHFFFAOYSA-N 1 2 305.381 3.341 20 10 DGCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCN1CC(F)(F)F ZINC000770393487 622628909 /nfs/dbraw/zinc/62/89/09/622628909.db2.gz YQFPYVWXHVVYTD-JTQLQIEISA-N 1 2 322.758 3.114 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCN1CC(F)(F)F ZINC000770393487 622628913 /nfs/dbraw/zinc/62/89/13/622628913.db2.gz YQFPYVWXHVVYTD-JTQLQIEISA-N 1 2 322.758 3.114 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872256891 622867795 /nfs/dbraw/zinc/86/77/95/622867795.db2.gz DZIIFXTUGBJDGE-LLVKDONJSA-N 1 2 309.715 3.041 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872256891 622867802 /nfs/dbraw/zinc/86/78/02/622867802.db2.gz DZIIFXTUGBJDGE-LLVKDONJSA-N 1 2 309.715 3.041 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]C1CC(C(F)F)C1 ZINC000775152065 623235606 /nfs/dbraw/zinc/23/56/06/623235606.db2.gz JUCIHXQKBYVVOL-UHFFFAOYSA-N 1 2 306.150 3.288 20 10 DGCDLO COC(=O)CC[N@@H+](Cc1cc(Cl)cc(F)c1O)CC(C)C ZINC000775653763 623305188 /nfs/dbraw/zinc/30/51/88/623305188.db2.gz BEKAJXWFCHWVEW-UHFFFAOYSA-N 1 2 317.788 3.206 20 10 DGCDLO COC(=O)CC[N@H+](Cc1cc(Cl)cc(F)c1O)CC(C)C ZINC000775653763 623305192 /nfs/dbraw/zinc/30/51/92/623305192.db2.gz BEKAJXWFCHWVEW-UHFFFAOYSA-N 1 2 317.788 3.206 20 10 DGCDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775732224 623320721 /nfs/dbraw/zinc/32/07/21/623320721.db2.gz MKDYLLBLHRJVML-AWEZNQCLSA-N 1 2 323.799 3.428 20 10 DGCDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775732224 623320729 /nfs/dbraw/zinc/32/07/29/623320729.db2.gz MKDYLLBLHRJVML-AWEZNQCLSA-N 1 2 323.799 3.428 20 10 DGCDLO Cc1ccc2nc(C[NH2+]Cc3cccc(Cl)c3O)cn2c1 ZINC000776174993 623390830 /nfs/dbraw/zinc/39/08/30/623390830.db2.gz UJYNEEKESXNRFE-UHFFFAOYSA-N 1 2 301.777 3.292 20 10 DGCDLO OCCC1([NH2+]Cc2cc(Cl)cc(F)c2O)CCCCC1 ZINC000776232747 623400117 /nfs/dbraw/zinc/40/01/17/623400117.db2.gz VDPBLXQAZYWNBE-UHFFFAOYSA-N 1 2 301.789 3.360 20 10 DGCDLO COc1ccc[nH+]c1NCc1cc(Br)ccc1O ZINC000776253195 623401690 /nfs/dbraw/zinc/40/16/90/623401690.db2.gz KRKLCGZDBXKCKJ-UHFFFAOYSA-N 1 2 309.163 3.170 20 10 DGCDLO CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000776254686 623402582 /nfs/dbraw/zinc/40/25/82/623402582.db2.gz KIPMYBUXMAKXIP-TZMCWYRMSA-N 1 2 301.789 3.478 20 10 DGCDLO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000776254682 623402592 /nfs/dbraw/zinc/40/25/92/623402592.db2.gz KIPMYBUXMAKXIP-JSGCOSHPSA-N 1 2 301.789 3.478 20 10 DGCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000778190022 623621919 /nfs/dbraw/zinc/62/19/19/623621919.db2.gz USDLYOYZHKWBAI-NSHDSACASA-N 1 2 312.200 3.000 20 10 DGCDLO Oc1c(CNc2ccc(N3CCCC3)c[nH+]2)ccc(F)c1F ZINC000876955613 623753524 /nfs/dbraw/zinc/75/35/24/623753524.db2.gz ZHCBOAORLQYUIP-UHFFFAOYSA-N 1 2 305.328 3.278 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1F ZINC000126431401 623834396 /nfs/dbraw/zinc/83/43/96/623834396.db2.gz NQNGGFZNAYDTKL-GOSISDBHSA-N 1 2 324.403 3.494 20 10 DGCDLO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cccc(Cl)c1O ZINC000877697616 623995794 /nfs/dbraw/zinc/99/57/94/623995794.db2.gz PEPITCGZVVYZON-QGZVFWFLSA-N 1 2 323.795 3.268 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000781892797 624165468 /nfs/dbraw/zinc/16/54/68/624165468.db2.gz DMQYIEVYSZSNHF-PHIMTYICSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000781892797 624165470 /nfs/dbraw/zinc/16/54/70/624165470.db2.gz DMQYIEVYSZSNHF-PHIMTYICSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000781896036 624166909 /nfs/dbraw/zinc/16/69/09/624166909.db2.gz GMJHFZOKHPYCSJ-GHMZBOCLSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000781896036 624166911 /nfs/dbraw/zinc/16/69/11/624166911.db2.gz GMJHFZOKHPYCSJ-GHMZBOCLSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@@H](C)[C@H]2C)c1 ZINC000781908686 624169010 /nfs/dbraw/zinc/16/90/10/624169010.db2.gz KXKKEUVQFXMZSF-MNOVXSKESA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@@H](C)[C@H]2C)c1 ZINC000781908686 624169014 /nfs/dbraw/zinc/16/90/14/624169014.db2.gz KXKKEUVQFXMZSF-MNOVXSKESA-N 1 2 314.223 3.072 20 10 DGCDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccccc1O ZINC000783517763 624360868 /nfs/dbraw/zinc/36/08/68/624360868.db2.gz IXWFSWOZFQKEQO-LLVKDONJSA-N 1 2 312.348 3.167 20 10 DGCDLO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1O ZINC000783517763 624360870 /nfs/dbraw/zinc/36/08/70/624360870.db2.gz IXWFSWOZFQKEQO-LLVKDONJSA-N 1 2 312.348 3.167 20 10 DGCDLO COC(=O)C1([NH2+]Cc2ccc(N(C)C)cc2)CCCCCC1 ZINC000785763270 624729281 /nfs/dbraw/zinc/72/92/81/624729281.db2.gz GFSVFEIEERSTSK-UHFFFAOYSA-N 1 2 304.434 3.108 20 10 DGCDLO CCOC(CC[NH2+][C@H](C)c1cc(F)cc(F)c1O)OCC ZINC000786970772 624968719 /nfs/dbraw/zinc/96/87/19/624968719.db2.gz OKZGTHYBFQDERS-SNVBAGLBSA-N 1 2 303.349 3.110 20 10 DGCDLO CCOC(=O)[C@@H](C)[N@H+](Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000787439301 625010630 /nfs/dbraw/zinc/01/06/30/625010630.db2.gz CRSGYOXVEONEFR-LLVKDONJSA-N 1 2 311.809 3.270 20 10 DGCDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000787439301 625010632 /nfs/dbraw/zinc/01/06/32/625010632.db2.gz CRSGYOXVEONEFR-LLVKDONJSA-N 1 2 311.809 3.270 20 10 DGCDLO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000787441542 625010799 /nfs/dbraw/zinc/01/07/99/625010799.db2.gz XNXGYEFCHLRTBK-INIZCTEOSA-N 1 2 322.424 3.198 20 10 DGCDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000787441542 625010804 /nfs/dbraw/zinc/01/08/04/625010804.db2.gz XNXGYEFCHLRTBK-INIZCTEOSA-N 1 2 322.424 3.198 20 10 DGCDLO c1cc2cc(NCc3ccc(N4CCOCC4)cc3)[nH+]cc2[nH]1 ZINC000787897096 625071827 /nfs/dbraw/zinc/07/18/27/625071827.db2.gz SDKAUEQVKYYIET-UHFFFAOYSA-N 1 2 308.385 3.012 20 10 DGCDLO CC(C)[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](O)C(F)(F)F ZINC000788831922 625276530 /nfs/dbraw/zinc/27/65/30/625276530.db2.gz NXLDEWHYPRVOQC-JQWIXIFHSA-N 1 2 311.731 3.083 20 10 DGCDLO Cc1nccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)n1 ZINC000796448398 626050905 /nfs/dbraw/zinc/05/09/05/626050905.db2.gz JFLFDFDKCUBSKX-UHFFFAOYSA-N 1 2 309.369 3.286 20 10 DGCDLO Cc1nccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)n1 ZINC000796448398 626050906 /nfs/dbraw/zinc/05/09/06/626050906.db2.gz JFLFDFDKCUBSKX-UHFFFAOYSA-N 1 2 309.369 3.286 20 10 DGCDLO CO[C@H](C)C[N@H+](C)CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000796641950 626069558 /nfs/dbraw/zinc/06/95/58/626069558.db2.gz NHKCWOJAYJUPEB-OAHLLOKOSA-N 1 2 314.429 3.244 20 10 DGCDLO CO[C@H](C)C[N@@H+](C)CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000796641950 626069559 /nfs/dbraw/zinc/06/95/59/626069559.db2.gz NHKCWOJAYJUPEB-OAHLLOKOSA-N 1 2 314.429 3.244 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@@H](C)[S@]1=O ZINC000809700120 626937810 /nfs/dbraw/zinc/93/78/10/626937810.db2.gz XVLDTHDGWDOUHA-QRVQBPJGSA-N 1 2 315.866 3.085 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@@H](C)[S@]1=O ZINC000809700120 626937812 /nfs/dbraw/zinc/93/78/12/626937812.db2.gz XVLDTHDGWDOUHA-QRVQBPJGSA-N 1 2 315.866 3.085 20 10 DGCDLO COC(=O)CCCCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809727614 626942595 /nfs/dbraw/zinc/94/25/95/626942595.db2.gz PUONFXXOOAIXID-UHFFFAOYSA-N 1 2 303.761 3.008 20 10 DGCDLO CCOC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)o1 ZINC000809742651 626944583 /nfs/dbraw/zinc/94/45/83/626944583.db2.gz CJVLHSBLOYLFJT-UHFFFAOYSA-N 1 2 309.749 3.105 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000809747076 626946132 /nfs/dbraw/zinc/94/61/32/626946132.db2.gz IDFVDHKZXFFUFM-OAHLLOKOSA-N 1 2 309.768 3.398 20 10 DGCDLO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000810258100 626994148 /nfs/dbraw/zinc/99/41/48/626994148.db2.gz ZGLHEKYYMDNXRT-IWSPIJDZSA-N 1 2 320.202 3.368 20 10 DGCDLO CCc1cc(C[N@@H+]2CCn3cncc3C2)c(O)c(C(C)(C)C)c1 ZINC000811787464 627321880 /nfs/dbraw/zinc/32/18/80/627321880.db2.gz KUNFETXIUCALIC-UHFFFAOYSA-N 1 2 313.445 3.464 20 10 DGCDLO CCc1cc(C[N@H+]2CCn3cncc3C2)c(O)c(C(C)(C)C)c1 ZINC000811787464 627321883 /nfs/dbraw/zinc/32/18/83/627321883.db2.gz KUNFETXIUCALIC-UHFFFAOYSA-N 1 2 313.445 3.464 20 10 DGCDLO Cc1nc([C@](C)([NH2+]Cc2ccc(N(C)C)c(C)c2)C2CC2)no1 ZINC000815123510 627631492 /nfs/dbraw/zinc/63/14/92/627631492.db2.gz BELDWRBSUSRFPC-GOSISDBHSA-N 1 2 314.433 3.167 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CCOCC1 ZINC000816556295 627807655 /nfs/dbraw/zinc/80/76/55/627807655.db2.gz FJULCMJQEUWLTN-CQSZACIVSA-N 1 2 301.789 3.480 20 10 DGCDLO CCCN1C[C@@H](C[NH2+][C@@H](CC)c2cccc(Cl)c2O)CC1=O ZINC000817588996 627927678 /nfs/dbraw/zinc/92/76/78/627927678.db2.gz KQIBZEQHIDCJEZ-DOMZBBRYSA-N 1 2 324.852 3.345 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000817969520 627978591 /nfs/dbraw/zinc/97/85/91/627978591.db2.gz VWDJPONNEHHOJN-LEWSCRJBSA-N 1 2 316.367 3.450 20 10 DGCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@@](C)(O)c1ccccc1 ZINC000822516952 628459855 /nfs/dbraw/zinc/45/98/55/628459855.db2.gz RLOFKANCJDYURL-QGZVFWFLSA-N 1 2 305.805 3.385 20 10 DGCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@@](C)(O)c1ccccc1 ZINC000822516952 628459856 /nfs/dbraw/zinc/45/98/56/628459856.db2.gz RLOFKANCJDYURL-QGZVFWFLSA-N 1 2 305.805 3.385 20 10 DGCDLO C[C@@]1(F)CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000824472325 628663321 /nfs/dbraw/zinc/66/33/21/628663321.db2.gz QBZCJKPSHYVITM-CYBMUJFWSA-N 1 2 302.187 3.479 20 10 DGCDLO C[C@@]1(F)CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000824472325 628663323 /nfs/dbraw/zinc/66/33/23/628663323.db2.gz QBZCJKPSHYVITM-CYBMUJFWSA-N 1 2 302.187 3.479 20 10 DGCDLO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)c2nccn21 ZINC000825017678 628716704 /nfs/dbraw/zinc/71/67/04/628716704.db2.gz XDBWVJZTRWCUSP-JOYOIKCWSA-N 1 2 322.206 3.147 20 10 DGCDLO COc1cccc(C[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)c1O ZINC000825046806 628720439 /nfs/dbraw/zinc/72/04/39/628720439.db2.gz YBEANNYNOHPRBK-MRXNPFEDSA-N 1 2 317.360 3.113 20 10 DGCDLO COc1cccc(C[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)c1O ZINC000825046806 628720440 /nfs/dbraw/zinc/72/04/40/628720440.db2.gz YBEANNYNOHPRBK-MRXNPFEDSA-N 1 2 317.360 3.113 20 10 DGCDLO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cc(Cl)cc(F)c2O)C1 ZINC000825338636 628751734 /nfs/dbraw/zinc/75/17/34/628751734.db2.gz RXNLVYDIQYSZJD-CYBMUJFWSA-N 1 2 300.805 3.099 20 10 DGCDLO CC(C)[N@H+]1CC[C@@H](N(C)Cc2cc(Cl)cc(F)c2O)C1 ZINC000825338636 628751736 /nfs/dbraw/zinc/75/17/36/628751736.db2.gz RXNLVYDIQYSZJD-CYBMUJFWSA-N 1 2 300.805 3.099 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@@H]1F ZINC000825440815 628762184 /nfs/dbraw/zinc/76/21/84/628762184.db2.gz LDOORQMCGDKLGI-SKDRFNHKSA-N 1 2 302.187 3.335 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C[C@@H]1F ZINC000825440815 628762187 /nfs/dbraw/zinc/76/21/87/628762187.db2.gz LDOORQMCGDKLGI-SKDRFNHKSA-N 1 2 302.187 3.335 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H](CC(F)(F)F)O1 ZINC000827787115 628991155 /nfs/dbraw/zinc/99/11/55/628991155.db2.gz MIOJUKQUNMDJQU-SKDRFNHKSA-N 1 2 307.287 3.073 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H](CC(F)(F)F)O1 ZINC000827787115 628991157 /nfs/dbraw/zinc/99/11/57/628991157.db2.gz MIOJUKQUNMDJQU-SKDRFNHKSA-N 1 2 307.287 3.073 20 10 DGCDLO CC(C)[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000834737307 629770461 /nfs/dbraw/zinc/77/04/61/629770461.db2.gz NBORWRAPCCCXNB-CZUORRHYSA-N 1 2 305.418 3.335 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000835026119 629827704 /nfs/dbraw/zinc/82/77/04/629827704.db2.gz QALLTNPEDYRDFJ-IVZVJUQRSA-N 1 2 310.445 3.369 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000835026119 629827711 /nfs/dbraw/zinc/82/77/11/629827711.db2.gz QALLTNPEDYRDFJ-IVZVJUQRSA-N 1 2 310.445 3.369 20 10 DGCDLO CC[C@H]([NH2+]Cc1cccc(Br)c1O)[C@@H](O)C(C)C ZINC000840966468 630388104 /nfs/dbraw/zinc/38/81/04/630388104.db2.gz FYGVANRZJIEZPT-STQMWFEESA-N 1 2 316.239 3.040 20 10 DGCDLO C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1cc(F)cc(F)c1O ZINC000844920868 630983131 /nfs/dbraw/zinc/98/31/31/630983131.db2.gz NQVCRIWQRDKKSU-ZWNOBZJWSA-N 1 2 304.340 3.358 20 10 DGCDLO Oc1ccc(Cl)cc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000845709039 631190673 /nfs/dbraw/zinc/19/06/73/631190673.db2.gz LOCITSVEGWPVOA-UHFFFAOYSA-N 1 2 318.808 3.438 20 10 DGCDLO Oc1ccc(Cl)cc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000845709039 631190677 /nfs/dbraw/zinc/19/06/77/631190677.db2.gz LOCITSVEGWPVOA-UHFFFAOYSA-N 1 2 318.808 3.438 20 10 DGCDLO COCc1cc[nH+]c(NCc2cc(Cl)cc(OC)c2O)c1 ZINC000846117366 631210625 /nfs/dbraw/zinc/21/06/25/631210625.db2.gz NYSOTJUSMLPUEL-UHFFFAOYSA-N 1 2 308.765 3.208 20 10 DGCDLO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](F)C2)c1O ZINC000846119173 631210853 /nfs/dbraw/zinc/21/08/53/631210853.db2.gz BOSIHHYWZZBTCC-NSHDSACASA-N 1 2 318.186 3.097 20 10 DGCDLO COc1cc(Br)cc(C[N@H+]2CCC[C@H](F)C2)c1O ZINC000846119173 631210854 /nfs/dbraw/zinc/21/08/54/631210854.db2.gz BOSIHHYWZZBTCC-NSHDSACASA-N 1 2 318.186 3.097 20 10 DGCDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)ccn12 ZINC000847760588 631534151 /nfs/dbraw/zinc/53/41/51/631534151.db2.gz MDPMPLILRUIDPH-AWEZNQCLSA-N 1 2 322.412 3.200 20 10 DGCDLO C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)OC(C)(C)C ZINC000848926142 631791005 /nfs/dbraw/zinc/79/10/05/631791005.db2.gz LRBXRSMOBISMKO-VIFPVBQESA-N 1 2 317.788 3.252 20 10 DGCDLO COc1cccc(C[NH2+]CC(F)(F)c2ccc(F)cc2)c1O ZINC000850400459 632139637 /nfs/dbraw/zinc/13/96/37/632139637.db2.gz FGLUULLDTRIQOH-UHFFFAOYSA-N 1 2 311.303 3.422 20 10 DGCDLO C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(F)cc(F)c1O ZINC000850565940 632196478 /nfs/dbraw/zinc/19/64/78/632196478.db2.gz HYLPDLWPLJNBQD-VIFPVBQESA-N 1 2 321.314 3.261 20 10 DGCDLO C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1cc(F)cc(F)c1O ZINC000850574645 632199308 /nfs/dbraw/zinc/19/93/08/632199308.db2.gz ZXQDAALQVVJWIR-NVGCLXPQSA-N 1 2 321.367 3.486 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2c(O)cccc2Br)[C@H](C)CO1 ZINC000707143453 660888017 /nfs/dbraw/zinc/88/80/17/660888017.db2.gz SHQUEZHEJBJJKV-MNOVXSKESA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2c(O)cccc2Br)[C@H](C)CO1 ZINC000707143453 660888018 /nfs/dbraw/zinc/88/80/18/660888018.db2.gz SHQUEZHEJBJJKV-MNOVXSKESA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708098246 660918064 /nfs/dbraw/zinc/91/80/64/660918064.db2.gz FWZRNTKTHYSANU-LBPRGKRZSA-N 1 2 322.630 3.059 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCCSC1 ZINC000715786954 661214589 /nfs/dbraw/zinc/21/45/89/661214589.db2.gz BYHZFTWEOLPSPU-SNVBAGLBSA-N 1 2 320.227 3.279 20 10 DGCDLO CC[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1C ZINC000250384746 657468241 /nfs/dbraw/zinc/46/82/41/657468241.db2.gz XJXMFBHPXMXQQO-SNVBAGLBSA-N 1 2 303.233 3.225 20 10 DGCDLO C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)[C@H]1C[NH3+] ZINC000252101689 657556034 /nfs/dbraw/zinc/55/60/34/657556034.db2.gz GJHIXPPGJTXDGU-ZANVPECISA-N 1 2 303.233 3.258 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]CCCOCC1CC1 ZINC000042411831 658772481 /nfs/dbraw/zinc/77/24/81/658772481.db2.gz ICPZVHABPCOMGX-UHFFFAOYSA-N 1 2 314.223 3.061 20 10 DGCDLO Cc1cc(O)c(C[NH2+][C@H](c2cn[nH]n2)C(C)(C)C)cc1Cl ZINC001577348052 1191894244 /nfs/dbraw/zinc/89/42/44/1191894244.db2.gz KNLJYUAEVOAQBB-CQSZACIVSA-N 1 2 308.813 3.349 20 10 DGCDLO Cc1cc(O)c(C[NH2+][C@H](c2c[nH]nn2)C(C)(C)C)cc1Cl ZINC001577348052 1191894246 /nfs/dbraw/zinc/89/42/46/1191894246.db2.gz KNLJYUAEVOAQBB-CQSZACIVSA-N 1 2 308.813 3.349 20 10 DGCDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccc(N)cc1 ZINC001334775130 1178795156 /nfs/dbraw/zinc/79/51/56/1178795156.db2.gz SIODSFHDRQZMRQ-UHFFFAOYSA-N 1 2 301.337 3.376 20 10 DGCDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccc(N)cc1 ZINC001334775130 1178795160 /nfs/dbraw/zinc/79/51/60/1178795160.db2.gz SIODSFHDRQZMRQ-UHFFFAOYSA-N 1 2 301.337 3.376 20 10 DGCDLO CC1(C)CC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)OC1 ZINC001621047887 1192960137 /nfs/dbraw/zinc/96/01/37/1192960137.db2.gz IOXGLMBLJSZUEW-LBPRGKRZSA-N 1 2 301.789 3.480 20 10 DGCDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(F)c(F)cc2O)[nH]1 ZINC001462184215 1182920474 /nfs/dbraw/zinc/92/04/74/1182920474.db2.gz QJWBCSYYYZCBBC-BDAKNGLRSA-N 1 2 310.348 3.153 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCOc3cc(O)ccc3C2)c(Cl)c1 ZINC001462220224 1182925189 /nfs/dbraw/zinc/92/51/89/1182925189.db2.gz INNDJDOFMRUDHK-UHFFFAOYSA-N 1 2 319.788 3.454 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCOc3cc(O)ccc3C2)c(Cl)c1 ZINC001462220224 1182925193 /nfs/dbraw/zinc/92/51/93/1182925193.db2.gz INNDJDOFMRUDHK-UHFFFAOYSA-N 1 2 319.788 3.454 20 10 DGCDLO CCCN(CC[NH+]1CCCCC1)Cc1cc(F)c(F)cc1O ZINC001462223812 1182926152 /nfs/dbraw/zinc/92/61/52/1182926152.db2.gz USHPEIUQJFLIJV-UHFFFAOYSA-N 1 2 312.404 3.368 20 10 DGCDLO CCC[N@H+](CCN1CCCCC1)Cc1cc(F)c(F)cc1O ZINC001462223812 1182926156 /nfs/dbraw/zinc/92/61/56/1182926156.db2.gz USHPEIUQJFLIJV-UHFFFAOYSA-N 1 2 312.404 3.368 20 10 DGCDLO CCC[N@@H+](CCN1CCCCC1)Cc1cc(F)c(F)cc1O ZINC001462223812 1182926161 /nfs/dbraw/zinc/92/61/61/1182926161.db2.gz USHPEIUQJFLIJV-UHFFFAOYSA-N 1 2 312.404 3.368 20 10 DGCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)Nc1ccccc1 ZINC001473996809 1183847385 /nfs/dbraw/zinc/84/73/85/1183847385.db2.gz ZSVASHBBVPKIFE-JTQLQIEISA-N 1 2 322.767 3.302 20 10 DGCDLO Oc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001474543628 1183938599 /nfs/dbraw/zinc/93/85/99/1183938599.db2.gz YZHNNESCIBEGHP-UHFFFAOYSA-N 1 2 317.335 3.423 20 10 DGCDLO Oc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001474543628 1183938602 /nfs/dbraw/zinc/93/86/02/1183938602.db2.gz YZHNNESCIBEGHP-UHFFFAOYSA-N 1 2 317.335 3.423 20 10 DGCDLO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cc(F)cc(F)c1O ZINC001474711061 1183966930 /nfs/dbraw/zinc/96/69/30/1183966930.db2.gz ZJEYJMZFBHTLJN-UHFFFAOYSA-N 1 2 321.323 3.074 20 10 DGCDLO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cc(F)cc(F)c1O ZINC001474711061 1183966934 /nfs/dbraw/zinc/96/69/34/1183966934.db2.gz ZJEYJMZFBHTLJN-UHFFFAOYSA-N 1 2 321.323 3.074 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1O ZINC001559665905 1189228092 /nfs/dbraw/zinc/22/80/92/1189228092.db2.gz UGBDQWBEJWXWFC-OLZOCXBDSA-N 1 2 315.747 3.335 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1O ZINC001559665905 1189228093 /nfs/dbraw/zinc/22/80/93/1189228093.db2.gz UGBDQWBEJWXWFC-OLZOCXBDSA-N 1 2 315.747 3.335 20 10 DGCDLO CC1=CC[N@H+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001560684858 1189360461 /nfs/dbraw/zinc/36/04/61/1189360461.db2.gz BVBBNNKKWVDPIB-UHFFFAOYSA-N 1 2 300.171 3.446 20 10 DGCDLO CC1=CC[N@@H+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001560684858 1189360466 /nfs/dbraw/zinc/36/04/66/1189360466.db2.gz BVBBNNKKWVDPIB-UHFFFAOYSA-N 1 2 300.171 3.446 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC001560711601 1189364422 /nfs/dbraw/zinc/36/44/22/1189364422.db2.gz OUDNSNPAEHLTOR-MRXNPFEDSA-N 1 2 319.351 3.114 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC001560711601 1189364427 /nfs/dbraw/zinc/36/44/27/1189364427.db2.gz OUDNSNPAEHLTOR-MRXNPFEDSA-N 1 2 319.351 3.114 20 10 DGCDLO COCCn1c2ccccc2[nH+]c1NCc1ccc(C)cc1O ZINC001561044503 1189425897 /nfs/dbraw/zinc/42/58/97/1189425897.db2.gz FDHHBXJIZOOTOS-UHFFFAOYSA-N 1 2 311.385 3.309 20 10 DGCDLO Cc1[nH]c2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2[nH+]1 ZINC001566328962 1189762453 /nfs/dbraw/zinc/76/24/53/1189762453.db2.gz JVZYODOUTABAHE-UHFFFAOYSA-N 1 2 322.328 3.286 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH2+]Cc1cc(F)cnc1Cl ZINC001621353162 1193832074 /nfs/dbraw/zinc/83/20/74/1193832074.db2.gz IHLFUFWUTIQJMK-UHFFFAOYSA-N 1 2 302.683 3.148 20 10 DGCDLO CN(C)c1ccccc1C[N@H+](C)Cc1ccc(F)c(F)c1O ZINC001652577399 1195620462 /nfs/dbraw/zinc/62/04/62/1195620462.db2.gz WZAKACJKZQYHBG-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC001652577399 1195620467 /nfs/dbraw/zinc/62/04/67/1195620467.db2.gz WZAKACJKZQYHBG-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO CN(C)c1c(C[N@@H+]2Cc3cccc(O)c3C2)ccc(F)c1F ZINC001653000116 1195678988 /nfs/dbraw/zinc/67/89/88/1195678988.db2.gz JYWPVYOSBNASJT-UHFFFAOYSA-N 1 2 304.340 3.252 20 10 DGCDLO CN(C)c1c(C[N@H+]2Cc3cccc(O)c3C2)ccc(F)c1F ZINC001653000116 1195678992 /nfs/dbraw/zinc/67/89/92/1195678992.db2.gz JYWPVYOSBNASJT-UHFFFAOYSA-N 1 2 304.340 3.252 20 10 DGCDLO CN(C)c1ccc(CC[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC001655482276 1195922097 /nfs/dbraw/zinc/92/20/97/1195922097.db2.gz HPUKUYYTMLXKMW-UHFFFAOYSA-N 1 2 306.356 3.069 20 10 DGCDLO C[C@H]([NH2+]Cc1cc(F)c(F)cc1O)c1c(F)cncc1F ZINC001658061387 1196208989 /nfs/dbraw/zinc/20/89/89/1196208989.db2.gz SEVUWULFESEZKW-ZETCQYMHSA-N 1 2 300.255 3.194 20 10 DGCDLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(F)c2O)C12CCC2 ZINC001658434745 1196255926 /nfs/dbraw/zinc/25/59/26/1196255926.db2.gz OBJFKXKPLGMNOB-LSDHHAIUSA-N 1 2 311.372 3.450 20 10 DGCDLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2O)C12CCC2 ZINC001658434745 1196255929 /nfs/dbraw/zinc/25/59/29/1196255929.db2.gz OBJFKXKPLGMNOB-LSDHHAIUSA-N 1 2 311.372 3.450 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1nc(-c2ccccc2)no1 ZINC001658768958 1196298322 /nfs/dbraw/zinc/29/83/22/1196298322.db2.gz GOOHOVKXPVTKAH-UHFFFAOYSA-N 1 2 317.295 3.010 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001659243146 1196362422 /nfs/dbraw/zinc/36/24/22/1196362422.db2.gz IMEHTVSZIYHPMB-UHFFFAOYSA-N 1 2 322.330 3.132 20 10 DGCDLO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001661421080 1196604027 /nfs/dbraw/zinc/60/40/27/1196604027.db2.gz SQWYDWLDAJYQDO-BDJLRTHQSA-N 1 2 323.795 3.439 20 10 DGCDLO CC(C)[C@@H](O)C(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001662129667 1196684370 /nfs/dbraw/zinc/68/43/70/1196684370.db2.gz XJNQYNKXGYNMIH-CQSZACIVSA-N 1 2 303.805 3.317 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1conc1Cc1ccccc1)C2 ZINC001665506219 1197145716 /nfs/dbraw/zinc/14/57/16/1197145716.db2.gz IHVIEKQZHNNXQQ-UHFFFAOYSA-N 1 2 306.365 3.487 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1conc1Cc1ccccc1)C2 ZINC001665506219 1197145721 /nfs/dbraw/zinc/14/57/21/1197145721.db2.gz IHVIEKQZHNNXQQ-UHFFFAOYSA-N 1 2 306.365 3.487 20 10 DGCDLO Oc1cc(C[N@@H+]2CCCC[C@H](F)C2)c(O)cc1Br ZINC001236769563 1099775275 /nfs/dbraw/zinc/77/52/75/1099775275.db2.gz WAZIGOFOFPLKOE-JTQLQIEISA-N 1 2 318.186 3.184 20 10 DGCDLO Oc1cc(C[N@H+]2CCCC[C@H](F)C2)c(O)cc1Br ZINC001236769563 1099775283 /nfs/dbraw/zinc/77/52/83/1099775283.db2.gz WAZIGOFOFPLKOE-JTQLQIEISA-N 1 2 318.186 3.184 20 10 DGCDLO COC(OC)c1cc(C)c[nH+]c1NCc1cccc(C)c1O ZINC001160769947 1088951594 /nfs/dbraw/zinc/95/15/94/1088951594.db2.gz NJJUOGDLBCHFHT-UHFFFAOYSA-N 1 2 302.374 3.308 20 10 DGCDLO Oc1ccccc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001203561663 1090756345 /nfs/dbraw/zinc/75/63/45/1090756345.db2.gz XRLRTYHJLLEOQB-PKOBYXMFSA-N 1 2 308.425 3.099 20 10 DGCDLO Oc1ccccc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001203561663 1090756353 /nfs/dbraw/zinc/75/63/53/1090756353.db2.gz XRLRTYHJLLEOQB-PKOBYXMFSA-N 1 2 308.425 3.099 20 10 DGCDLO CCOCc1noc2c1C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001203658477 1090774678 /nfs/dbraw/zinc/77/46/78/1090774678.db2.gz XJMVUDRIALVIRS-UHFFFAOYSA-N 1 2 322.792 3.128 20 10 DGCDLO CCOCc1noc2c1C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001203658477 1090774681 /nfs/dbraw/zinc/77/46/81/1090774681.db2.gz XJMVUDRIALVIRS-UHFFFAOYSA-N 1 2 322.792 3.128 20 10 DGCDLO COc1ccc(O)c(C[N@@H+]2CCc3nc(Cl)ccc3C2)c1 ZINC001203679067 1090779154 /nfs/dbraw/zinc/77/91/54/1090779154.db2.gz ZBWBABFSDZKPOH-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1ccc(O)c(C[N@H+]2CCc3nc(Cl)ccc3C2)c1 ZINC001203679067 1090779159 /nfs/dbraw/zinc/77/91/59/1090779159.db2.gz ZBWBABFSDZKPOH-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO CCN(CC)c1ccc(C[NH+]2CC(N3CCC(F)CC3)C2)cc1 ZINC001203942157 1090845274 /nfs/dbraw/zinc/84/52/74/1090845274.db2.gz LRMDJNSCXKRFTL-UHFFFAOYSA-N 1 2 319.468 3.151 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000715806057 1091009544 /nfs/dbraw/zinc/00/95/44/1091009544.db2.gz PHWWRFQAFLOSQS-VIFPVBQESA-N 1 2 320.177 3.475 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000715806057 1091009548 /nfs/dbraw/zinc/00/95/48/1091009548.db2.gz PHWWRFQAFLOSQS-VIFPVBQESA-N 1 2 320.177 3.475 20 10 DGCDLO CCC[N@@H+](Cc1c(O)ccc2c(C)cc(=O)oc21)CC1CC1 ZINC001139126224 1091456729 /nfs/dbraw/zinc/45/67/29/1091456729.db2.gz BGAWRJAUPTZPFQ-UHFFFAOYSA-N 1 2 301.386 3.429 20 10 DGCDLO CCC[N@H+](Cc1c(O)ccc2c(C)cc(=O)oc21)CC1CC1 ZINC001139126224 1091456734 /nfs/dbraw/zinc/45/67/34/1091456734.db2.gz BGAWRJAUPTZPFQ-UHFFFAOYSA-N 1 2 301.386 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](F)CC1 ZINC001139126686 1091456914 /nfs/dbraw/zinc/45/69/14/1091456914.db2.gz MSSXJOGOMCNSHI-LBPRGKRZSA-N 1 2 305.349 3.131 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](F)CC1 ZINC001139126686 1091456919 /nfs/dbraw/zinc/45/69/19/1091456919.db2.gz MSSXJOGOMCNSHI-LBPRGKRZSA-N 1 2 305.349 3.131 20 10 DGCDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001140341684 1091834543 /nfs/dbraw/zinc/83/45/43/1091834543.db2.gz BYXHNZLJLZIZQQ-MRXNPFEDSA-N 1 2 304.777 3.014 20 10 DGCDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Cl ZINC001140341598 1091834860 /nfs/dbraw/zinc/83/48/60/1091834860.db2.gz YQVDGXZSKMKWOP-ZDUSSCGKSA-N 1 2 311.809 3.352 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001207549185 1092017826 /nfs/dbraw/zinc/01/78/26/1092017826.db2.gz RMJGUSYGXYXDPP-KBXCAEBGSA-N 1 2 301.336 3.444 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001207549185 1092017836 /nfs/dbraw/zinc/01/78/36/1092017836.db2.gz RMJGUSYGXYXDPP-KBXCAEBGSA-N 1 2 301.336 3.444 20 10 DGCDLO CN(C)c1ccc(C[N@H+](C)Cc2ccc(O)c(F)c2F)cc1 ZINC001140892119 1092052606 /nfs/dbraw/zinc/05/26/06/1092052606.db2.gz AYTKDLXQOCMATJ-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(O)c(F)c2F)cc1 ZINC001140892119 1092052614 /nfs/dbraw/zinc/05/26/14/1092052614.db2.gz AYTKDLXQOCMATJ-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCc3cccnc3C2)c(Cl)c1 ZINC001140924336 1092064809 /nfs/dbraw/zinc/06/48/09/1092064809.db2.gz FUCOAFNUJSPFCL-UHFFFAOYSA-N 1 2 301.821 3.359 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCc3cccnc3C2)c(Cl)c1 ZINC001140924336 1092064817 /nfs/dbraw/zinc/06/48/17/1092064817.db2.gz FUCOAFNUJSPFCL-UHFFFAOYSA-N 1 2 301.821 3.359 20 10 DGCDLO C[N@H+](Cc1nccs1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077822 1092129510 /nfs/dbraw/zinc/12/95/10/1092129510.db2.gz AVLKCYQDQJMUAP-UHFFFAOYSA-N 1 2 313.470 3.474 20 10 DGCDLO C[N@@H+](Cc1nccs1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077822 1092129516 /nfs/dbraw/zinc/12/95/16/1092129516.db2.gz AVLKCYQDQJMUAP-UHFFFAOYSA-N 1 2 313.470 3.474 20 10 DGCDLO C[N@H+]1CC=C(Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001208838191 1092537499 /nfs/dbraw/zinc/53/74/99/1092537499.db2.gz POBUGUHUKQSKKJ-UHFFFAOYSA-N 1 2 318.376 3.093 20 10 DGCDLO C[N@@H+]1CC=C(Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001208838191 1092537509 /nfs/dbraw/zinc/53/75/09/1092537509.db2.gz POBUGUHUKQSKKJ-UHFFFAOYSA-N 1 2 318.376 3.093 20 10 DGCDLO [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001206641428 1092903371 /nfs/dbraw/zinc/90/33/71/1092903371.db2.gz XDPZJTQPRLZDJR-SNVBAGLBSA-N 1 2 303.233 3.260 20 10 DGCDLO [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001206641428 1092903383 /nfs/dbraw/zinc/90/33/83/1092903383.db2.gz XDPZJTQPRLZDJR-SNVBAGLBSA-N 1 2 303.233 3.260 20 10 DGCDLO [NH3+]C[C@H]1CCCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001206641428 1092903392 /nfs/dbraw/zinc/90/33/92/1092903392.db2.gz XDPZJTQPRLZDJR-SNVBAGLBSA-N 1 2 303.233 3.260 20 10 DGCDLO Oc1ccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc1O ZINC001215304771 1093956152 /nfs/dbraw/zinc/95/61/52/1093956152.db2.gz YNPKQNATTSHAKF-UHFFFAOYSA-N 1 2 320.308 3.001 20 10 DGCDLO Oc1c(F)cc(Cl)cc1CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222277372 1095525717 /nfs/dbraw/zinc/52/57/17/1095525717.db2.gz MLPGUKAHGJBXEB-MRXNPFEDSA-N 1 2 312.816 3.150 20 10 DGCDLO C[N@H+](Cc1ccccc1O)Cc1cccnc1Br ZINC001137800479 1095744809 /nfs/dbraw/zinc/74/48/09/1095744809.db2.gz LNOJIQDVQUBKSJ-UHFFFAOYSA-N 1 2 307.191 3.182 20 10 DGCDLO C[N@@H+](Cc1ccccc1O)Cc1cccnc1Br ZINC001137800479 1095744822 /nfs/dbraw/zinc/74/48/22/1095744822.db2.gz LNOJIQDVQUBKSJ-UHFFFAOYSA-N 1 2 307.191 3.182 20 10 DGCDLO Oc1cccc(F)c1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001137837804 1095759988 /nfs/dbraw/zinc/75/99/88/1095759988.db2.gz VIHTTZTXCWQIOJ-UHFFFAOYSA-N 1 2 323.371 3.275 20 10 DGCDLO Oc1cccc(F)c1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001137837804 1095759996 /nfs/dbraw/zinc/75/99/96/1095759996.db2.gz VIHTTZTXCWQIOJ-UHFFFAOYSA-N 1 2 323.371 3.275 20 10 DGCDLO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c(O)cccc1F ZINC001137839196 1095760553 /nfs/dbraw/zinc/76/05/53/1095760553.db2.gz VUIYXTXPZOCACA-GJZGRUSLSA-N 1 2 306.425 3.370 20 10 DGCDLO C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1c(O)cccc1F ZINC001137839196 1095760560 /nfs/dbraw/zinc/76/05/60/1095760560.db2.gz VUIYXTXPZOCACA-GJZGRUSLSA-N 1 2 306.425 3.370 20 10 DGCDLO Cc1cccc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c1O ZINC001231594581 1097788719 /nfs/dbraw/zinc/78/87/19/1097788719.db2.gz IKEGQABMYBROLG-MRXNPFEDSA-N 1 2 324.415 3.396 20 10 DGCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H]1Cc2ccccc2O1 ZINC001231913571 1097891808 /nfs/dbraw/zinc/89/18/08/1097891808.db2.gz NIANNWFEFRLFEL-AWEZNQCLSA-N 1 2 303.789 3.481 20 10 DGCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@@H]1Cc2ccccc2O1 ZINC001231913571 1097891816 /nfs/dbraw/zinc/89/18/16/1097891816.db2.gz NIANNWFEFRLFEL-AWEZNQCLSA-N 1 2 303.789 3.481 20 10 DGCDLO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231914591 1097892509 /nfs/dbraw/zinc/89/25/09/1097892509.db2.gz PRDWBNLMCSYDBL-INIZCTEOSA-N 1 2 311.809 3.211 20 10 DGCDLO CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231914591 1097892517 /nfs/dbraw/zinc/89/25/17/1097892517.db2.gz PRDWBNLMCSYDBL-INIZCTEOSA-N 1 2 311.809 3.211 20 10 DGCDLO F[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232202955 1097963365 /nfs/dbraw/zinc/96/33/65/1097963365.db2.gz JRYGTZLPKTYRNV-CQSZACIVSA-N 1 2 312.816 3.111 20 10 DGCDLO F[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232202955 1097963368 /nfs/dbraw/zinc/96/33/68/1097963368.db2.gz JRYGTZLPKTYRNV-CQSZACIVSA-N 1 2 312.816 3.111 20 10 DGCDLO C[N@H+](CC(=O)c1ccccc1)Cc1cc(Cl)c(O)cc1O ZINC001232262143 1097984412 /nfs/dbraw/zinc/98/44/12/1097984412.db2.gz ARWVEEYRKILQQR-UHFFFAOYSA-N 1 2 305.761 3.066 20 10 DGCDLO C[N@@H+](CC(=O)c1ccccc1)Cc1cc(Cl)c(O)cc1O ZINC001232262143 1097984416 /nfs/dbraw/zinc/98/44/16/1097984416.db2.gz ARWVEEYRKILQQR-UHFFFAOYSA-N 1 2 305.761 3.066 20 10 DGCDLO Oc1cc(O)c(C[N@@H+]2CCOc3ccccc3C2)cc1Cl ZINC001232261872 1097985574 /nfs/dbraw/zinc/98/55/74/1097985574.db2.gz SAAMTJAQOYLESN-UHFFFAOYSA-N 1 2 305.761 3.146 20 10 DGCDLO Oc1cc(O)c(C[N@H+]2CCOc3ccccc3C2)cc1Cl ZINC001232261872 1097985579 /nfs/dbraw/zinc/98/55/79/1097985579.db2.gz SAAMTJAQOYLESN-UHFFFAOYSA-N 1 2 305.761 3.146 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cc1Cl ZINC001232266960 1097986850 /nfs/dbraw/zinc/98/68/50/1097986850.db2.gz TWDYVTAGRBOMHC-TZMCWYRMSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cc1Cl ZINC001232266960 1097986851 /nfs/dbraw/zinc/98/68/51/1097986851.db2.gz TWDYVTAGRBOMHC-TZMCWYRMSA-N 1 2 323.820 3.388 20 10 DGCDLO Oc1c(CN2CC[NH+](CC3CCCCC3)CC2)ccc(F)c1F ZINC001233074316 1098219688 /nfs/dbraw/zinc/21/96/88/1098219688.db2.gz MRUAFWRWGZBBMT-UHFFFAOYSA-N 1 2 324.415 3.368 20 10 DGCDLO Oc1c(C[N@@H+]2CCC[C@H](Oc3cccnc3)C2)ccc(F)c1F ZINC001233077409 1098220685 /nfs/dbraw/zinc/22/06/85/1098220685.db2.gz MQAXLQQZXUFQOO-AWEZNQCLSA-N 1 2 320.339 3.109 20 10 DGCDLO Oc1c(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)ccc(F)c1F ZINC001233077409 1098220690 /nfs/dbraw/zinc/22/06/90/1098220690.db2.gz MQAXLQQZXUFQOO-AWEZNQCLSA-N 1 2 320.339 3.109 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)c1O ZINC001233287785 1098277508 /nfs/dbraw/zinc/27/75/08/1098277508.db2.gz HLSZVBHVRYCVNM-GXTWGEPZSA-N 1 2 305.752 3.326 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)c1O ZINC001233287785 1098277511 /nfs/dbraw/zinc/27/75/11/1098277511.db2.gz HLSZVBHVRYCVNM-GXTWGEPZSA-N 1 2 305.752 3.326 20 10 DGCDLO Oc1c(C[N@@H+]2CCOCC23CCC3)cccc1C(F)(F)F ZINC001233418784 1098325202 /nfs/dbraw/zinc/32/52/02/1098325202.db2.gz WMUYRJVXWCDFLA-UHFFFAOYSA-N 1 2 301.308 3.166 20 10 DGCDLO Oc1c(C[N@H+]2CCOCC23CCC3)cccc1C(F)(F)F ZINC001233418784 1098325205 /nfs/dbraw/zinc/32/52/05/1098325205.db2.gz WMUYRJVXWCDFLA-UHFFFAOYSA-N 1 2 301.308 3.166 20 10 DGCDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001180086729 1099307515 /nfs/dbraw/zinc/30/75/15/1099307515.db2.gz LSMOLUPILZYXDX-CQSZACIVSA-N 1 2 311.809 3.272 20 10 DGCDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001180086729 1099307525 /nfs/dbraw/zinc/30/75/25/1099307525.db2.gz LSMOLUPILZYXDX-CQSZACIVSA-N 1 2 311.809 3.272 20 10 DGCDLO [O-]c1c(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cccc1C(F)(F)F ZINC001236240454 1099494976 /nfs/dbraw/zinc/49/49/76/1099494976.db2.gz LXVBEGHJQDTXCC-ZDUSSCGKSA-N 1 2 314.351 3.127 20 10 DGCDLO [O-]c1c(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cccc1C(F)(F)F ZINC001236240454 1099494978 /nfs/dbraw/zinc/49/49/78/1099494978.db2.gz LXVBEGHJQDTXCC-ZDUSSCGKSA-N 1 2 314.351 3.127 20 10 DGCDLO [O-]c1c(F)ccc(F)c1C[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236650698 1099720556 /nfs/dbraw/zinc/72/05/56/1099720556.db2.gz DFEWLOMCPBAPBX-CYBMUJFWSA-N 1 2 310.388 3.167 20 10 DGCDLO [O-]c1c(F)ccc(F)c1C[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236650698 1099720571 /nfs/dbraw/zinc/72/05/71/1099720571.db2.gz DFEWLOMCPBAPBX-CYBMUJFWSA-N 1 2 310.388 3.167 20 10 DGCDLO Oc1c(F)ccc(F)c1CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236650698 1099720578 /nfs/dbraw/zinc/72/05/78/1099720578.db2.gz DFEWLOMCPBAPBX-CYBMUJFWSA-N 1 2 310.388 3.167 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001236665008 1099731694 /nfs/dbraw/zinc/73/16/94/1099731694.db2.gz ZZOMXQMGTWXHMU-GAFUQQFSSA-N 1 2 314.198 3.253 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001236665008 1099731705 /nfs/dbraw/zinc/73/17/05/1099731705.db2.gz ZZOMXQMGTWXHMU-GAFUQQFSSA-N 1 2 314.198 3.253 20 10 DGCDLO O=C1CC[NH+](Cc2cc(OCc3ccccc3)ccc2O)CC1 ZINC001236778892 1099780848 /nfs/dbraw/zinc/78/08/48/1099780848.db2.gz NEJCAKSYAIYHOU-UHFFFAOYSA-N 1 2 311.381 3.136 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001236797715 1099791561 /nfs/dbraw/zinc/79/15/61/1099791561.db2.gz INNNKGCCZWUWFW-DOMZBBRYSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001236797715 1099791565 /nfs/dbraw/zinc/79/15/65/1099791565.db2.gz INNNKGCCZWUWFW-DOMZBBRYSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1ccc(C[N@@H+]2CCC[C@](C)(CO)CC2)c(O)c1Cl ZINC001236801157 1099794592 /nfs/dbraw/zinc/79/45/92/1099794592.db2.gz GGUOFQHNEOBWPE-INIZCTEOSA-N 1 2 313.825 3.039 20 10 DGCDLO COc1ccc(C[N@H+]2CCC[C@](C)(CO)CC2)c(O)c1Cl ZINC001236801157 1099794599 /nfs/dbraw/zinc/79/45/99/1099794599.db2.gz GGUOFQHNEOBWPE-INIZCTEOSA-N 1 2 313.825 3.039 20 10 DGCDLO COc1ccc(C[N@H+](CCCCCO)C(C)C)c(O)c1Cl ZINC001236809903 1099800458 /nfs/dbraw/zinc/80/04/58/1099800458.db2.gz OVRWYIRXJOUXDP-UHFFFAOYSA-N 1 2 315.841 3.427 20 10 DGCDLO COc1ccc(C[N@@H+](CCCCCO)C(C)C)c(O)c1Cl ZINC001236809903 1099800471 /nfs/dbraw/zinc/80/04/71/1099800471.db2.gz OVRWYIRXJOUXDP-UHFFFAOYSA-N 1 2 315.841 3.427 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CF)c(Br)c1 ZINC001237068368 1099954011 /nfs/dbraw/zinc/95/40/11/1099954011.db2.gz PDOHUIIZHBAFIX-SECBINFHSA-N 1 2 318.186 3.097 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H]2CF)c(Br)c1 ZINC001237068368 1099954024 /nfs/dbraw/zinc/95/40/24/1099954024.db2.gz PDOHUIIZHBAFIX-SECBINFHSA-N 1 2 318.186 3.097 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)CCC1=O ZINC001237120796 1099982879 /nfs/dbraw/zinc/98/28/79/1099982879.db2.gz SEETYGFBAMOCPX-SNVBAGLBSA-N 1 2 317.307 3.092 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CCC1=O ZINC001237120796 1099982890 /nfs/dbraw/zinc/98/28/90/1099982890.db2.gz SEETYGFBAMOCPX-SNVBAGLBSA-N 1 2 317.307 3.092 20 10 DGCDLO Cc1cc(Cl)cc(C[NH+]2CC(Oc3cccnc3)C2)c1O ZINC001237686389 1100215279 /nfs/dbraw/zinc/21/52/79/1100215279.db2.gz IOGRIPQOLYDHNO-UHFFFAOYSA-N 1 2 304.777 3.012 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237806370 1100254299 /nfs/dbraw/zinc/25/42/99/1100254299.db2.gz VBIRCVAOAJCXQT-CYBMUJFWSA-N 1 2 321.726 3.185 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237806370 1100254306 /nfs/dbraw/zinc/25/43/06/1100254306.db2.gz VBIRCVAOAJCXQT-CYBMUJFWSA-N 1 2 321.726 3.185 20 10 DGCDLO Cc1cc2c(cccc2-c2ccc(C[NH+]3CCOCC3)nc2)n1C ZINC001239597089 1100698791 /nfs/dbraw/zinc/69/87/91/1100698791.db2.gz CRDKRMDUWGUANB-UHFFFAOYSA-N 1 2 321.424 3.381 20 10 DGCDLO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cncc(F)c2)n1C ZINC001240232943 1100903584 /nfs/dbraw/zinc/90/35/84/1100903584.db2.gz DRZNIJXZAWOENF-UHFFFAOYSA-N 1 2 313.332 3.260 20 10 DGCDLO CC(C)[C@@H](O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC001201684211 1102703582 /nfs/dbraw/zinc/70/35/82/1102703582.db2.gz GDRBUTFAXVFWLF-CQSZACIVSA-N 1 2 301.789 3.071 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)cc1F ZINC001201962918 1102774215 /nfs/dbraw/zinc/77/42/15/1102774215.db2.gz IQLDJOUJVBPIBE-CQSZACIVSA-N 1 2 322.330 3.393 20 10 DGCDLO C[C@@H]1C[C@H](C[NH2+]Cc2cccc(Br)c2O)[C@H](C)O1 ZINC000686514134 1103048589 /nfs/dbraw/zinc/04/85/89/1103048589.db2.gz XMLMVTDIUWWHNG-JFGNBEQYSA-N 1 2 314.223 3.058 20 10 DGCDLO Cc1[nH+]cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n1C ZINC000689225694 1103855343 /nfs/dbraw/zinc/85/53/43/1103855343.db2.gz JOMWWAVCSOHKNO-UHFFFAOYSA-N 1 2 300.189 3.031 20 10 DGCDLO Cc1cc(O)c(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1Cl ZINC001330807684 1104651251 /nfs/dbraw/zinc/65/12/51/1104651251.db2.gz GGPQYJAESDSZBK-UHFFFAOYSA-N 1 2 308.813 3.059 20 10 DGCDLO Oc1c(F)ccc(F)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001275362005 1104736454 /nfs/dbraw/zinc/73/64/54/1104736454.db2.gz CSMHSBKHUFORHW-IRXDYDNUSA-N 1 2 322.399 3.262 20 10 DGCDLO Oc1c(F)ccc(F)c1CN1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001275362005 1104736458 /nfs/dbraw/zinc/73/64/58/1104736458.db2.gz CSMHSBKHUFORHW-IRXDYDNUSA-N 1 2 322.399 3.262 20 10 DGCDLO Cc1nc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)ccc1Cl ZINC001248875445 1105183431 /nfs/dbraw/zinc/18/34/31/1105183431.db2.gz DCDWVCPMZRAIII-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO Cc1nc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)ccc1Cl ZINC001248875445 1105183433 /nfs/dbraw/zinc/18/34/33/1105183433.db2.gz DCDWVCPMZRAIII-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248883772 1105186810 /nfs/dbraw/zinc/18/68/10/1105186810.db2.gz PZQJYFQWAIBIDQ-STQMWFEESA-N 1 2 308.853 3.231 20 10 DGCDLO CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248883772 1105186812 /nfs/dbraw/zinc/18/68/12/1105186812.db2.gz PZQJYFQWAIBIDQ-STQMWFEESA-N 1 2 308.853 3.231 20 10 DGCDLO CC1(C)C=Cc2c(O)c(C[N@@H+]3Cc4cccnc4C3)ccc2O1 ZINC001249223443 1105249605 /nfs/dbraw/zinc/24/96/05/1105249605.db2.gz GNAXTKRYMCAAQP-UHFFFAOYSA-N 1 2 308.381 3.487 20 10 DGCDLO CC1(C)C=Cc2c(O)c(C[N@H+]3Cc4cccnc4C3)ccc2O1 ZINC001249223443 1105249608 /nfs/dbraw/zinc/24/96/08/1105249608.db2.gz GNAXTKRYMCAAQP-UHFFFAOYSA-N 1 2 308.381 3.487 20 10 DGCDLO CCOc1ccc(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c(O)c1 ZINC001254018279 1106010515 /nfs/dbraw/zinc/01/05/15/1106010515.db2.gz GXTBNBVCIDGQJQ-UHFFFAOYSA-N 1 2 314.341 3.215 20 10 DGCDLO CCOc1ccc(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c(O)c1 ZINC001254018279 1106010519 /nfs/dbraw/zinc/01/05/19/1106010519.db2.gz GXTBNBVCIDGQJQ-UHFFFAOYSA-N 1 2 314.341 3.215 20 10 DGCDLO CCCCC[C@H](CC)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001258430539 1106741225 /nfs/dbraw/zinc/74/12/25/1106741225.db2.gz PETZZZCEISKWGC-GJZGRUSLSA-N 1 2 323.433 3.130 20 10 DGCDLO CC[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1noc(C)n1 ZINC001308304412 1111414257 /nfs/dbraw/zinc/41/42/57/1111414257.db2.gz ZCTAFRWEYIPFPK-FYCOFBDGSA-N 1 2 300.406 3.198 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC001308466098 1111431921 /nfs/dbraw/zinc/43/19/21/1111431921.db2.gz GZHWUSYYMJLJLM-OAHLLOKOSA-N 1 2 310.388 3.167 20 10 DGCDLO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001308884885 1111488871 /nfs/dbraw/zinc/48/88/71/1111488871.db2.gz YFYSMLYOJVRLHQ-OAHLLOKOSA-N 1 2 318.367 3.381 20 10 DGCDLO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001308884885 1111488873 /nfs/dbraw/zinc/48/88/73/1111488873.db2.gz YFYSMLYOJVRLHQ-OAHLLOKOSA-N 1 2 318.367 3.381 20 10 DGCDLO Cc1noc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000179755844 432070466 /nfs/dbraw/zinc/07/04/66/432070466.db2.gz HYEIOFBPYDPRKW-GFCCVEGCSA-N 1 2 307.781 3.117 20 10 DGCDLO C[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1O ZINC000187804660 299313774 /nfs/dbraw/zinc/31/37/74/299313774.db2.gz GEEJYFPIUNLUDC-VOJFVSQTSA-N 1 2 319.351 3.155 20 10 DGCDLO C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1O ZINC000282552665 296164190 /nfs/dbraw/zinc/16/41/90/296164190.db2.gz XIZHIDGLKOVDGZ-RNCFNFMXSA-N 1 2 307.344 3.132 20 10 DGCDLO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)c(F)c1O ZINC000187828068 296166296 /nfs/dbraw/zinc/16/62/96/296166296.db2.gz QPBFPMJBRLWMGG-JUTNTEDWSA-N 1 2 309.356 3.279 20 10 DGCDLO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000020563259 182232398 /nfs/dbraw/zinc/23/23/98/182232398.db2.gz KLLFQUNMXCWJGK-GFCCVEGCSA-N 1 2 303.233 3.273 20 10 DGCDLO COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc([NH+](C)C)cc2)c1 ZINC000273456961 130123537 /nfs/dbraw/zinc/12/35/37/130123537.db2.gz PTSSWTVRCNJUCF-GFCCVEGCSA-N 1 2 314.385 3.418 20 10 DGCDLO CC[C@H]([NH2+]CCCOCCO)c1cc(Cl)cc(Cl)c1O ZINC000287601317 131288947 /nfs/dbraw/zinc/28/89/47/131288947.db2.gz IPGJJEWAFGCUHL-ZDUSSCGKSA-N 1 2 322.232 3.139 20 10 DGCDLO CC[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cccc(Cl)c1O ZINC000287677331 131294553 /nfs/dbraw/zinc/29/45/53/131294553.db2.gz MLKVMVIBZGABNX-IUODEOHRSA-N 1 2 313.825 3.282 20 10 DGCDLO CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1cccc(Cl)c1O ZINC000287724847 286931158 /nfs/dbraw/zinc/93/11/58/286931158.db2.gz OSZUXXUOGSQDHH-SMDDNHRTSA-N 1 2 310.825 3.096 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000182636185 228369041 /nfs/dbraw/zinc/36/90/41/228369041.db2.gz USYZMBOXLJPGEE-WFASDCNBSA-N 1 2 313.850 3.190 20 10 DGCDLO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1O ZINC000185639415 228395100 /nfs/dbraw/zinc/39/51/00/228395100.db2.gz TWYFLIYVLBGTQU-AMIZOPFISA-N 1 2 322.257 3.218 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000373466362 229555611 /nfs/dbraw/zinc/55/56/11/229555611.db2.gz OERDXGTYLAFFHH-VIFPVBQESA-N 1 2 302.201 3.167 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc(Cl)c1O ZINC000376861889 288072535 /nfs/dbraw/zinc/07/25/35/288072535.db2.gz VKPWYYGIFNNLNK-RISCZKNCSA-N 1 2 305.809 3.367 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1cccc(Cl)c1O ZINC000287667141 288077525 /nfs/dbraw/zinc/07/75/25/288077525.db2.gz LZPSPIFARNIJHB-KRDDEPHXSA-N 1 2 303.855 3.243 20 10 DGCDLO Cc1csc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2O)n1 ZINC000116382789 431506490 /nfs/dbraw/zinc/50/64/90/431506490.db2.gz AONDGTMHRYAPOT-UHFFFAOYSA-N 1 2 307.375 3.090 20 10 DGCDLO CCOc1ccc(O)c(C[N@H+](C)Cc2ncc(CC)s2)c1 ZINC000093807701 431917969 /nfs/dbraw/zinc/91/79/69/431917969.db2.gz MZVOPXLNDUPTRZ-UHFFFAOYSA-N 1 2 306.431 3.442 20 10 DGCDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2ncc(CC)s2)c1 ZINC000093807701 431917970 /nfs/dbraw/zinc/91/79/70/431917970.db2.gz MZVOPXLNDUPTRZ-UHFFFAOYSA-N 1 2 306.431 3.442 20 10 DGCDLO CC[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1nc(C)cs1 ZINC000174499411 432352576 /nfs/dbraw/zinc/35/25/76/432352576.db2.gz ZXNDCUQSKDZDDJ-HNNXBMFYSA-N 1 2 321.402 3.480 20 10 DGCDLO COC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1ccco1 ZINC000184561364 432406356 /nfs/dbraw/zinc/40/63/56/432406356.db2.gz NDMVYEUGSFUXDR-CQSZACIVSA-N 1 2 323.776 3.319 20 10 DGCDLO Cc1cnc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)s1 ZINC000271884873 432428450 /nfs/dbraw/zinc/42/84/50/432428450.db2.gz VUWPWPGVOLMMMZ-UHFFFAOYSA-N 1 2 323.849 3.133 20 10 DGCDLO Oc1ccc(F)cc1C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000186662884 432619610 /nfs/dbraw/zinc/61/96/10/432619610.db2.gz OIUKRYUSRVIOKE-GFCCVEGCSA-N 1 2 310.419 3.278 20 10 DGCDLO Cc1ccc(O)c(C[N@@H+]2CCSC[C@H]2c2nccs2)c1 ZINC000186662037 432619890 /nfs/dbraw/zinc/61/98/90/432619890.db2.gz QQZYXUZHHAITLS-ZDUSSCGKSA-N 1 2 306.456 3.447 20 10 DGCDLO Cc1ccc(O)c(C[N@H+]2CCSC[C@H]2c2nccs2)c1 ZINC000186662037 432619892 /nfs/dbraw/zinc/61/98/92/432619892.db2.gz QQZYXUZHHAITLS-ZDUSSCGKSA-N 1 2 306.456 3.447 20 10 DGCDLO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185467968 292659051 /nfs/dbraw/zinc/65/90/51/292659051.db2.gz UCOQDIBQYRGDGB-YMTOWFKASA-N 1 2 322.232 3.137 20 10 DGCDLO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(F)c(F)c1O ZINC000187730403 432680423 /nfs/dbraw/zinc/68/04/23/432680423.db2.gz UVGPZCGVVMTWKU-PSLIRLAXSA-N 1 2 313.369 3.290 20 10 DGCDLO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187714419 432680524 /nfs/dbraw/zinc/68/05/24/432680524.db2.gz HPKSQDURIGXTTG-MEBBXXQBSA-N 1 2 323.339 3.063 20 10 DGCDLO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187716628 432680652 /nfs/dbraw/zinc/68/06/52/432680652.db2.gz WJDQYGZUEIBVEQ-NHYWBVRUSA-N 1 2 307.340 3.363 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)c1O ZINC000289818746 432974795 /nfs/dbraw/zinc/97/47/95/432974795.db2.gz NZYAHKSWIHXMBO-GFCCVEGCSA-N 1 2 323.780 3.083 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2nc(C)no2)c1O ZINC000289818746 432974800 /nfs/dbraw/zinc/97/48/00/432974800.db2.gz NZYAHKSWIHXMBO-GFCCVEGCSA-N 1 2 323.780 3.083 20 10 DGCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)no1 ZINC000290200341 433011874 /nfs/dbraw/zinc/01/18/74/433011874.db2.gz PCAOBAVCMGTDHM-RYUDHWBXSA-N 1 2 305.378 3.032 20 10 DGCDLO Cc1ccc2c(c1)/C(=C/c1[nH+]ccn1CC(F)(F)F)C(=O)N2C ZINC000290492472 433067065 /nfs/dbraw/zinc/06/70/65/433067065.db2.gz JKFIASRLVJQMJD-WQLSENKSSA-N 1 2 321.302 3.271 20 10 DGCDLO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000365821338 434310981 /nfs/dbraw/zinc/31/09/81/434310981.db2.gz PYOZXPUFEBSEFA-ZDUSSCGKSA-N 1 2 305.809 3.159 20 10 DGCDLO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000365821338 434310986 /nfs/dbraw/zinc/31/09/86/434310986.db2.gz PYOZXPUFEBSEFA-ZDUSSCGKSA-N 1 2 305.809 3.159 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@@H+]2Cc2cccc(OC)c2O)no1 ZINC000371405076 434692452 /nfs/dbraw/zinc/69/24/52/434692452.db2.gz XWEUCTYMESQTGW-ZDUSSCGKSA-N 1 2 317.389 3.073 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@H+]2Cc2cccc(OC)c2O)no1 ZINC000371405076 434692459 /nfs/dbraw/zinc/69/24/59/434692459.db2.gz XWEUCTYMESQTGW-ZDUSSCGKSA-N 1 2 317.389 3.073 20 10 DGCDLO Cc1nc(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000375011436 337001453 /nfs/dbraw/zinc/00/14/53/337001453.db2.gz FTRJDJKTWDGADC-UHFFFAOYSA-N 1 2 307.781 3.117 20 10 DGCDLO COc1ccc([N@H+](CCC2OCCCO2)[C@H](C)C2CC2)cc1 ZINC000267903134 524367060 /nfs/dbraw/zinc/36/70/60/524367060.db2.gz CHHIGCXKJUMBQJ-CQSZACIVSA-N 1 2 305.418 3.453 20 10 DGCDLO COc1ccc([N@@H+](CCC2OCCCO2)[C@H](C)C2CC2)cc1 ZINC000267903134 524367069 /nfs/dbraw/zinc/36/70/69/524367069.db2.gz CHHIGCXKJUMBQJ-CQSZACIVSA-N 1 2 305.418 3.453 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1n1ccnc1 ZINC000180720054 524512506 /nfs/dbraw/zinc/51/25/06/524512506.db2.gz PNIDRYUWTMGIGT-DOMZBBRYSA-N 1 2 305.809 3.325 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1n1ccnc1 ZINC000180720054 524512512 /nfs/dbraw/zinc/51/25/12/524512512.db2.gz PNIDRYUWTMGIGT-DOMZBBRYSA-N 1 2 305.809 3.325 20 10 DGCDLO O=C1CCCCN1C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180522682 526970318 /nfs/dbraw/zinc/97/03/18/526970318.db2.gz LDVOLAJTLUPHJV-UHFFFAOYSA-N 1 2 322.836 3.023 20 10 DGCDLO CCOC1CC(CC[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000294750150 546424293 /nfs/dbraw/zinc/42/42/93/546424293.db2.gz RKFMVPWWUGVHKT-UHFFFAOYSA-N 1 2 301.789 3.480 20 10 DGCDLO COc1ccc(N2CC[NH+](Cc3ncc(C(C)C)o3)CC2)cc1 ZINC000733305103 574612971 /nfs/dbraw/zinc/61/29/71/574612971.db2.gz YMLAGZKUQWOYBY-UHFFFAOYSA-N 1 2 315.417 3.129 20 10 DGCDLO COc1ccc([NH+]2CCC(Nc3ccc(F)cn3)CC2)cc1 ZINC000741751081 574968812 /nfs/dbraw/zinc/96/88/12/574968812.db2.gz QFESNDLXDAWCQD-UHFFFAOYSA-N 1 2 301.365 3.310 20 10 DGCDLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)c(C)n1-c1cccc(C)c1 ZINC000742179055 574983933 /nfs/dbraw/zinc/98/39/33/574983933.db2.gz RMYATIUBKOTVHH-UHFFFAOYSA-N 1 2 308.385 3.056 20 10 DGCDLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)c(C)n1-c1cccc(C)c1 ZINC000742179055 574983934 /nfs/dbraw/zinc/98/39/34/574983934.db2.gz RMYATIUBKOTVHH-UHFFFAOYSA-N 1 2 308.385 3.056 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000742179777 574983985 /nfs/dbraw/zinc/98/39/85/574983985.db2.gz LDXVBOVVDXHDJX-UHFFFAOYSA-N 1 2 308.385 3.056 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000742179777 574983988 /nfs/dbraw/zinc/98/39/88/574983988.db2.gz LDXVBOVVDXHDJX-UHFFFAOYSA-N 1 2 308.385 3.056 20 10 DGCDLO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cccc(Br)c1O ZINC000743499198 575054736 /nfs/dbraw/zinc/05/47/36/575054736.db2.gz JJMGGZFPIOEQIX-PWSUYJOCSA-N 1 2 316.239 3.041 20 10 DGCDLO C[N@@H+](Cc1nccn1C(F)F)Cc1cc(Cl)ccc1O ZINC000154992401 620752751 /nfs/dbraw/zinc/75/27/51/620752751.db2.gz NFYSIVGRFHYRDX-UHFFFAOYSA-N 1 2 301.724 3.269 20 10 DGCDLO COc1ccc(CNc2ccc([NH+](C)C)c(C)c2)c(O)c1OC ZINC000892339245 618034306 /nfs/dbraw/zinc/03/43/06/618034306.db2.gz FQDHIWUEJKLALV-UHFFFAOYSA-N 1 2 316.401 3.396 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nnc(C3CC3)o2)cc1 ZINC000920206515 620789507 /nfs/dbraw/zinc/78/95/07/620789507.db2.gz LQSZKIKSRHXSFR-UHFFFAOYSA-N 1 2 314.433 3.425 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nnc(C3CC3)o2)cc1 ZINC000920206515 620789511 /nfs/dbraw/zinc/78/95/11/620789511.db2.gz LQSZKIKSRHXSFR-UHFFFAOYSA-N 1 2 314.433 3.425 20 10 DGCDLO CS[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894881255 618486277 /nfs/dbraw/zinc/48/62/77/618486277.db2.gz UUHUACSHTXIOPN-SNVBAGLBSA-N 1 2 320.227 3.231 20 10 DGCDLO CS[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894881255 618486278 /nfs/dbraw/zinc/48/62/78/618486278.db2.gz UUHUACSHTXIOPN-SNVBAGLBSA-N 1 2 320.227 3.231 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840958115 618634504 /nfs/dbraw/zinc/63/45/04/618634504.db2.gz NOCJKOSOCYOZGS-ZBFHGGJFSA-N 1 2 303.789 3.354 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840958115 618634506 /nfs/dbraw/zinc/63/45/06/618634506.db2.gz NOCJKOSOCYOZGS-ZBFHGGJFSA-N 1 2 303.789 3.354 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2O)cc1O ZINC000893974265 618685990 /nfs/dbraw/zinc/68/59/90/618685990.db2.gz RFPSTRQITUAOJT-UHFFFAOYSA-N 1 2 309.312 3.017 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2O)cc1O ZINC000893974265 618685991 /nfs/dbraw/zinc/68/59/91/618685991.db2.gz RFPSTRQITUAOJT-UHFFFAOYSA-N 1 2 309.312 3.017 20 10 DGCDLO Cn1ccc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000896492544 618918372 /nfs/dbraw/zinc/91/83/72/618918372.db2.gz FCHJIHIZHLLZOI-GFCCVEGCSA-N 1 2 305.809 3.159 20 10 DGCDLO Cn1ccc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000896492544 618918374 /nfs/dbraw/zinc/91/83/74/618918374.db2.gz FCHJIHIZHLLZOI-GFCCVEGCSA-N 1 2 305.809 3.159 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCCN1CC(F)(F)F ZINC000896841421 618967373 /nfs/dbraw/zinc/96/73/73/618967373.db2.gz YRHYAPABOGDSOK-NSHDSACASA-N 1 2 322.758 3.162 20 10 DGCDLO CN(C)[C@@H](CC[NH2+]Cc1cccc(Cl)c1O)C(F)(F)F ZINC000896877864 618974073 /nfs/dbraw/zinc/97/40/73/618974073.db2.gz FWVDKPGUPQEEMD-NSHDSACASA-N 1 2 310.747 3.018 20 10 DGCDLO COc1cc(C)c(C[NH2+]Cc2cccc(Cl)c2O)c(C)n1 ZINC000898218712 619222917 /nfs/dbraw/zinc/22/29/17/619222917.db2.gz NLMMRVRONHGVEA-UHFFFAOYSA-N 1 2 306.793 3.356 20 10 DGCDLO Cc1occc1CNC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449357 619276034 /nfs/dbraw/zinc/27/60/34/619276034.db2.gz CJAQFTDNBDTWJL-SFHVURJKSA-N 1 2 301.434 3.047 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1c(O)cccc1F ZINC000903336438 619759843 /nfs/dbraw/zinc/75/98/43/619759843.db2.gz NZLHIJNLOGSORX-MRVPVSSYSA-N 1 2 317.286 3.134 20 10 DGCDLO C[C@H]([NH2+][C@H]1CC12CC2)c1cc(Br)c(F)cc1O ZINC000818357167 620899930 /nfs/dbraw/zinc/89/99/30/620899930.db2.gz VUVFASOGPJOLQD-MADCSZMMSA-N 1 2 300.171 3.497 20 10 DGCDLO COC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccc(C)o1 ZINC000858148443 621158927 /nfs/dbraw/zinc/15/89/27/621158927.db2.gz XFVYPHUNBBBEFJ-OAHLLOKOSA-N 1 2 324.371 3.410 20 10 DGCDLO COC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccc(C)o1 ZINC000858148442 621158964 /nfs/dbraw/zinc/15/89/64/621158964.db2.gz XFVYPHUNBBBEFJ-HNNXBMFYSA-N 1 2 324.371 3.410 20 10 DGCDLO CCC(F)(F)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000858507986 621200324 /nfs/dbraw/zinc/20/03/24/621200324.db2.gz LJDRWYNASYBEJQ-GFCCVEGCSA-N 1 2 316.367 3.358 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000753596039 621452711 /nfs/dbraw/zinc/45/27/11/621452711.db2.gz QWLQTHZPHZUBAP-HNNXBMFYSA-N 1 2 323.795 3.268 20 10 DGCDLO CC(C)c1nnc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)s1 ZINC000756139841 621617943 /nfs/dbraw/zinc/61/79/43/621617943.db2.gz NYBNUPLTMZRFNS-UHFFFAOYSA-N 1 2 308.426 3.156 20 10 DGCDLO CO[C@@H](C)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756525388 621645103 /nfs/dbraw/zinc/64/51/03/621645103.db2.gz BMDMUQLHOXXHDF-DTWKUNHWSA-N 1 2 320.202 3.369 20 10 DGCDLO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756563011 621649114 /nfs/dbraw/zinc/64/91/14/621649114.db2.gz KXGMJTGNTKLQFY-MGPLVRAMSA-N 1 2 323.339 3.063 20 10 DGCDLO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1O ZINC000756608155 621652562 /nfs/dbraw/zinc/65/25/62/621652562.db2.gz JELYVQCUAZHLMC-SNVBAGLBSA-N 1 2 322.311 3.472 20 10 DGCDLO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756624899 621653571 /nfs/dbraw/zinc/65/35/71/621653571.db2.gz HGOFDJFZZMWOQJ-NEPJUHHUSA-N 1 2 301.377 3.366 20 10 DGCDLO C[C@@H](CCCO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756647994 621655539 /nfs/dbraw/zinc/65/55/39/621655539.db2.gz VFWMNSJZZUZZMC-IUCAKERBSA-N 1 2 320.202 3.105 20 10 DGCDLO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000757659031 621732060 /nfs/dbraw/zinc/73/20/60/621732060.db2.gz XGWXQKNRNPXZSQ-HRDYMLBCSA-N 1 2 320.202 3.104 20 10 DGCDLO CN(C)c1ccc(C[NH+]2CCN(Cc3cccs3)CC2)cc1 ZINC000119884937 621746904 /nfs/dbraw/zinc/74/69/04/621746904.db2.gz RMLKKYLYLARRNV-UHFFFAOYSA-N 1 2 315.486 3.132 20 10 DGCDLO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000758507673 621785687 /nfs/dbraw/zinc/78/56/87/621785687.db2.gz WSHUKBIDQOCDFD-GOSISDBHSA-N 1 2 319.408 3.429 20 10 DGCDLO COC(=O)CCC(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000762788164 622098489 /nfs/dbraw/zinc/09/84/89/622098489.db2.gz VMLZVYJAQRETDM-UHFFFAOYSA-N 1 2 303.761 3.006 20 10 DGCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000769306818 622516227 /nfs/dbraw/zinc/51/62/27/622516227.db2.gz CTPCZRDZFBLTLL-SFHVURJKSA-N 1 2 317.360 3.113 20 10 DGCDLO COc1cccc(O)c1C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000769306818 622516230 /nfs/dbraw/zinc/51/62/30/622516230.db2.gz CTPCZRDZFBLTLL-SFHVURJKSA-N 1 2 317.360 3.113 20 10 DGCDLO COc1cccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)c1O ZINC000769326802 622518048 /nfs/dbraw/zinc/51/80/48/622518048.db2.gz HLOZJQYCHHRQLD-UHFFFAOYSA-N 1 2 323.396 3.326 20 10 DGCDLO COc1cccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)c1O ZINC000769326802 622518050 /nfs/dbraw/zinc/51/80/50/622518050.db2.gz HLOZJQYCHHRQLD-UHFFFAOYSA-N 1 2 323.396 3.326 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1F ZINC000769497883 622534192 /nfs/dbraw/zinc/53/41/92/622534192.db2.gz GYWATQUGACKCLK-MRXNPFEDSA-N 1 2 322.424 3.198 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)cc1F ZINC000769497883 622534194 /nfs/dbraw/zinc/53/41/94/622534194.db2.gz GYWATQUGACKCLK-MRXNPFEDSA-N 1 2 322.424 3.198 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872256892 622868305 /nfs/dbraw/zinc/86/83/05/622868305.db2.gz DZIIFXTUGBJDGE-NSHDSACASA-N 1 2 309.715 3.041 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872256892 622868312 /nfs/dbraw/zinc/86/83/12/622868312.db2.gz DZIIFXTUGBJDGE-NSHDSACASA-N 1 2 309.715 3.041 20 10 DGCDLO CCN(C)c1ccc(C[N@@H+]2Cc3ccc(C(=O)OC)cc3C2)cc1 ZINC000773754476 623069137 /nfs/dbraw/zinc/06/91/37/623069137.db2.gz FXFAJUGAEWPHEJ-UHFFFAOYSA-N 1 2 324.424 3.445 20 10 DGCDLO CCN(C)c1ccc(C[N@H+]2Cc3ccc(C(=O)OC)cc3C2)cc1 ZINC000773754476 623069146 /nfs/dbraw/zinc/06/91/46/623069146.db2.gz FXFAJUGAEWPHEJ-UHFFFAOYSA-N 1 2 324.424 3.445 20 10 DGCDLO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775659457 623306977 /nfs/dbraw/zinc/30/69/77/623306977.db2.gz WZHZTJYULCFJGO-CYBMUJFWSA-N 1 2 305.805 3.429 20 10 DGCDLO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775659457 623306981 /nfs/dbraw/zinc/30/69/81/623306981.db2.gz WZHZTJYULCFJGO-CYBMUJFWSA-N 1 2 305.805 3.429 20 10 DGCDLO CCOc1ccc(CNc2ccc(N3CCCC3)c[nH+]2)c(O)c1 ZINC000776036246 623368261 /nfs/dbraw/zinc/36/82/61/623368261.db2.gz IDWVVMPSIBWHEY-UHFFFAOYSA-N 1 2 313.401 3.398 20 10 DGCDLO CC1(C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@@H]2CCCO[C@H]21 ZINC000776223538 623399470 /nfs/dbraw/zinc/39/94/70/623399470.db2.gz JJGPEYWKCSFTOZ-NILFDRSVSA-N 1 2 313.800 3.478 20 10 DGCDLO CC(=O)Nc1ccccc1C[NH2+]Cc1cccc(Cl)c1O ZINC000776222401 623399660 /nfs/dbraw/zinc/39/96/60/623399660.db2.gz LAFSBHYFEHKSIN-UHFFFAOYSA-N 1 2 304.777 3.294 20 10 DGCDLO COC1CCC(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000776232009 623400349 /nfs/dbraw/zinc/40/03/49/623400349.db2.gz NJHBPEVMBHWBKR-UHFFFAOYSA-N 1 2 301.789 3.480 20 10 DGCDLO CN1Cc2ccccc2[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000776254414 623401897 /nfs/dbraw/zinc/40/18/97/623401897.db2.gz UZXXDLAYVWWIHG-MRXNPFEDSA-N 1 2 320.795 3.461 20 10 DGCDLO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776253327 623401981 /nfs/dbraw/zinc/40/19/81/623401981.db2.gz MFVUBJUKLSMPKG-NOZJJQNGSA-N 1 2 313.756 3.380 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000125582025 623491626 /nfs/dbraw/zinc/49/16/26/623491626.db2.gz FSKSAKNESNZZBC-SFHVURJKSA-N 1 2 306.413 3.355 20 10 DGCDLO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC000876619462 623661142 /nfs/dbraw/zinc/66/11/42/623661142.db2.gz YGYVUBUXLSNNME-GFCCVEGCSA-N 1 2 307.340 3.053 20 10 DGCDLO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC000876619462 623661146 /nfs/dbraw/zinc/66/11/46/623661146.db2.gz YGYVUBUXLSNNME-GFCCVEGCSA-N 1 2 307.340 3.053 20 10 DGCDLO CCC1(CC)CN(C[N@H+](C)Cc2ccc(N(C)C)cc2)C(=O)O1 ZINC000778568057 623670818 /nfs/dbraw/zinc/67/08/18/623670818.db2.gz WNAWWXUCVDLVBL-UHFFFAOYSA-N 1 2 319.449 3.153 20 10 DGCDLO CCC1(CC)CN(C[N@@H+](C)Cc2ccc(N(C)C)cc2)C(=O)O1 ZINC000778568057 623670822 /nfs/dbraw/zinc/67/08/22/623670822.db2.gz WNAWWXUCVDLVBL-UHFFFAOYSA-N 1 2 319.449 3.153 20 10 DGCDLO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000877507644 623917553 /nfs/dbraw/zinc/91/75/53/623917553.db2.gz JGTWTPOMJWTQAV-UHFFFAOYSA-N 1 2 307.344 3.082 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877739352 624011927 /nfs/dbraw/zinc/01/19/27/624011927.db2.gz RUIMFLLEYRWRAT-MWLCHTKSSA-N 1 2 301.814 3.370 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877739352 624011930 /nfs/dbraw/zinc/01/19/30/624011930.db2.gz RUIMFLLEYRWRAT-MWLCHTKSSA-N 1 2 301.814 3.370 20 10 DGCDLO Fc1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ncc[nH]2)cc1 ZINC000783236870 624328314 /nfs/dbraw/zinc/32/83/14/624328314.db2.gz KGRQGNYTMKFYFQ-SFHVURJKSA-N 1 2 323.371 3.363 20 10 DGCDLO Cc1ccc(C[N@H+](CCO)Cc2cc(Cl)cc(F)c2O)cc1 ZINC000783602130 624373399 /nfs/dbraw/zinc/37/33/99/624373399.db2.gz AIAQQRHJGGFULV-UHFFFAOYSA-N 1 2 323.795 3.488 20 10 DGCDLO Cc1ccc(C[N@@H+](CCO)Cc2cc(Cl)cc(F)c2O)cc1 ZINC000783602130 624373401 /nfs/dbraw/zinc/37/34/01/624373401.db2.gz AIAQQRHJGGFULV-UHFFFAOYSA-N 1 2 323.795 3.488 20 10 DGCDLO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000786574817 624923735 /nfs/dbraw/zinc/92/37/35/624923735.db2.gz GHFLOTRIPIAMNS-IUODEOHRSA-N 1 2 321.367 3.233 20 10 DGCDLO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000786584826 624926328 /nfs/dbraw/zinc/92/63/28/624926328.db2.gz UXAGJHWVQLOEAK-DOMZBBRYSA-N 1 2 321.367 3.233 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cn2ccsc2n1 ZINC000790959478 625723418 /nfs/dbraw/zinc/72/34/18/625723418.db2.gz XHGZQONVYUNUOK-UHFFFAOYSA-N 1 2 311.769 3.184 20 10 DGCDLO OC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(F)cc1 ZINC000790966246 625724320 /nfs/dbraw/zinc/72/43/20/625724320.db2.gz CMIMSDNYABIGGI-CYBMUJFWSA-N 1 2 313.731 3.147 20 10 DGCDLO Oc1c(F)cc(F)cc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000882908381 625854098 /nfs/dbraw/zinc/85/40/98/625854098.db2.gz PAEVYXJXCHFLGL-UHFFFAOYSA-N 1 2 305.328 3.278 20 10 DGCDLO OCCC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000883016655 625898454 /nfs/dbraw/zinc/89/84/54/625898454.db2.gz HJXIKSFUXVHFLS-INIZCTEOSA-N 1 2 307.340 3.274 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)[S@@]1=O ZINC000792192352 625923151 /nfs/dbraw/zinc/92/31/51/625923151.db2.gz NCCOALCTKZPMIG-MFKICJERSA-N 1 2 320.502 3.018 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)[S@@]1=O ZINC000792192352 625923154 /nfs/dbraw/zinc/92/31/54/625923154.db2.gz NCCOALCTKZPMIG-MFKICJERSA-N 1 2 320.502 3.018 20 10 DGCDLO COCC[C@H](C)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883146042 625942930 /nfs/dbraw/zinc/94/29/30/625942930.db2.gz XOKXGEIILOXMBD-VIFPVBQESA-N 1 2 320.202 3.056 20 10 DGCDLO CCC(CC)(CCO)[NH2+]Cc1cccc(Br)c1O ZINC000800894845 626383346 /nfs/dbraw/zinc/38/33/46/626383346.db2.gz NJFUIYXLDNMBAQ-UHFFFAOYSA-N 1 2 316.239 3.186 20 10 DGCDLO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)C(F)F)c1O ZINC000883400011 626673232 /nfs/dbraw/zinc/67/32/32/626673232.db2.gz BKZMZZXMOBHRCB-BQBZGAKWSA-N 1 2 324.165 3.468 20 10 DGCDLO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)c1O ZINC000808701789 626851029 /nfs/dbraw/zinc/85/10/29/626851029.db2.gz IRFJNAOPXYMFIN-GWCFXTLKSA-N 1 2 305.809 3.285 20 10 DGCDLO Oc1ccc2c(c1)OCC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000809704997 626939379 /nfs/dbraw/zinc/93/93/79/626939379.db2.gz KQWSSBKNTXVYAS-UHFFFAOYSA-N 1 2 305.761 3.146 20 10 DGCDLO Oc1ccc2c(c1)OCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000809704997 626939382 /nfs/dbraw/zinc/93/93/82/626939382.db2.gz KQWSSBKNTXVYAS-UHFFFAOYSA-N 1 2 305.761 3.146 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1noc2c1CCCC2 ZINC000809783904 626952446 /nfs/dbraw/zinc/95/24/46/626952446.db2.gz GCUUTBXTDQUGHF-UHFFFAOYSA-N 1 2 310.756 3.341 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1nnc2n1CCCCC2 ZINC000886500453 627153686 /nfs/dbraw/zinc/15/36/86/627153686.db2.gz WPOVCNZZINCYFJ-RYUDHWBXSA-N 1 2 318.396 3.261 20 10 DGCDLO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1c(O)cccc1F ZINC000886547885 627160757 /nfs/dbraw/zinc/16/07/57/627160757.db2.gz SZDWDYZZULCIBA-RNCFNFMXSA-N 1 2 311.303 3.194 20 10 DGCDLO CC1(C)C[N@H+](Cc2cc(F)ccc2O)C[C@@H](C(F)(F)F)O1 ZINC000814176619 627546796 /nfs/dbraw/zinc/54/67/96/627546796.db2.gz SJMCIMHPZCNIPY-LBPRGKRZSA-N 1 2 307.287 3.073 20 10 DGCDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2O)C[C@@H](C(F)(F)F)O1 ZINC000814176619 627546798 /nfs/dbraw/zinc/54/67/98/627546798.db2.gz SJMCIMHPZCNIPY-LBPRGKRZSA-N 1 2 307.287 3.073 20 10 DGCDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(C3CCC3)C2=O)c1 ZINC000814186087 627547974 /nfs/dbraw/zinc/54/79/74/627547974.db2.gz VKZKWMQOYZCZPW-MDWZMJQESA-N 1 2 320.439 3.152 20 10 DGCDLO CC(C)C[C@H](CCO)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816554420 627806614 /nfs/dbraw/zinc/80/66/14/627806614.db2.gz YCTWIAKAEXIDLZ-NSHDSACASA-N 1 2 303.805 3.319 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000816592395 627812258 /nfs/dbraw/zinc/81/22/58/627812258.db2.gz IYGKSBSIJWRICK-CYBMUJFWSA-N 1 2 312.816 3.291 20 10 DGCDLO CC(C)([NH2+]Cc1cc(Cl)c(F)cc1O)C1CCOCC1 ZINC000816594048 627812796 /nfs/dbraw/zinc/81/27/96/627812796.db2.gz NKGQJOHFKBTVPJ-UHFFFAOYSA-N 1 2 301.789 3.480 20 10 DGCDLO CC[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000817959686 627974826 /nfs/dbraw/zinc/97/48/26/627974826.db2.gz GIJGAACJWZEXRK-CHWSQXEVSA-N 1 2 302.340 3.189 20 10 DGCDLO COc1cc(N(C)Cc2c[nH+]cn2C(C)C)cc(OC)c1OC ZINC000822469649 628454996 /nfs/dbraw/zinc/45/49/96/628454996.db2.gz BVFIENNGMCDRIE-UHFFFAOYSA-N 1 2 319.405 3.126 20 10 DGCDLO Cc1cc(O)c(C[N@H+](C)Cc2nnc3ccccn32)cc1Cl ZINC000824649535 628679723 /nfs/dbraw/zinc/67/97/23/628679723.db2.gz DDXUMUFJFYYCLD-UHFFFAOYSA-N 1 2 316.792 3.029 20 10 DGCDLO Cc1cc(O)c(C[N@@H+](C)Cc2nnc3ccccn32)cc1Cl ZINC000824649535 628679726 /nfs/dbraw/zinc/67/97/26/628679726.db2.gz DDXUMUFJFYYCLD-UHFFFAOYSA-N 1 2 316.792 3.029 20 10 DGCDLO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1(C)C ZINC000824820975 628697098 /nfs/dbraw/zinc/69/70/98/628697098.db2.gz RVKSDBBPQCIZAS-ZDUSSCGKSA-N 1 2 301.789 3.432 20 10 DGCDLO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1(C)C ZINC000824820975 628697100 /nfs/dbraw/zinc/69/71/00/628697100.db2.gz RVKSDBBPQCIZAS-ZDUSSCGKSA-N 1 2 301.789 3.432 20 10 DGCDLO OC[C@@H]([C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1)C1CC1 ZINC000824845140 628699473 /nfs/dbraw/zinc/69/94/73/628699473.db2.gz IFLVDCFZXAGYFA-HIFRSBDPSA-N 1 2 313.800 3.071 20 10 DGCDLO OC[C@H]([C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1)C1CC1 ZINC000824845138 628699544 /nfs/dbraw/zinc/69/95/44/628699544.db2.gz IFLVDCFZXAGYFA-DZGCQCFKSA-N 1 2 313.800 3.071 20 10 DGCDLO COc1ccc(O)c([C@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C)c1 ZINC000824846630 628700068 /nfs/dbraw/zinc/70/00/68/628700068.db2.gz UTEZTZWYKSNWFZ-LRDDRELGSA-N 1 2 309.406 3.028 20 10 DGCDLO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000826791202 628887911 /nfs/dbraw/zinc/88/79/11/628887911.db2.gz TWXHBIUJRVOVPQ-LBPRGKRZSA-N 1 2 300.805 3.147 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000827243978 628940891 /nfs/dbraw/zinc/94/08/91/628940891.db2.gz QAJSEHSJLLBCSC-YPMHNXCESA-N 1 2 321.726 3.089 20 10 DGCDLO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000827401041 628955887 /nfs/dbraw/zinc/95/58/87/628955887.db2.gz LGEWEURCEABWJI-UHFFFAOYSA-N 1 2 305.809 3.336 20 10 DGCDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000828014108 629014823 /nfs/dbraw/zinc/01/48/23/629014823.db2.gz UKYWZOOOVVUHMG-UHFFFAOYSA-N 1 2 323.799 3.492 20 10 DGCDLO Cc1cc(C(=O)C[N@H+]2[C@H](C)C[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000829335279 629150793 /nfs/dbraw/zinc/15/07/93/629150793.db2.gz DWWRWJRUOVTJBN-TXEJJXNPSA-N 1 2 315.392 3.294 20 10 DGCDLO Cc1cc(C(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000829335279 629150794 /nfs/dbraw/zinc/15/07/94/629150794.db2.gz DWWRWJRUOVTJBN-TXEJJXNPSA-N 1 2 315.392 3.294 20 10 DGCDLO CC[C@H]([NH2+]CCc1cnc(C)cn1)c1cccc(Cl)c1O ZINC000834910710 629806642 /nfs/dbraw/zinc/80/66/42/629806642.db2.gz YFIQRZPVHWTESC-HNNXBMFYSA-N 1 2 305.809 3.427 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000835026121 629827911 /nfs/dbraw/zinc/82/79/11/629827911.db2.gz QALLTNPEDYRDFJ-NJELEJDNSA-N 1 2 310.445 3.369 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000835026121 629827917 /nfs/dbraw/zinc/82/79/17/629827917.db2.gz QALLTNPEDYRDFJ-NJELEJDNSA-N 1 2 310.445 3.369 20 10 DGCDLO CC1(C)C[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000835058711 629839370 /nfs/dbraw/zinc/83/93/70/629839370.db2.gz BNQICZFCXFXOFH-SNVBAGLBSA-N 1 2 301.789 3.480 20 10 DGCDLO Cc1nc([C@H]2CCC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)n[nH]1 ZINC000840920254 630378898 /nfs/dbraw/zinc/37/88/98/630378898.db2.gz UNHZHQLBHGUHFK-LBPRGKRZSA-N 1 2 320.824 3.160 20 10 DGCDLO Cc1nc([C@H]2CCC[N@@H+](Cc3c(O)cc(C)cc3Cl)C2)n[nH]1 ZINC000840920254 630378902 /nfs/dbraw/zinc/37/89/02/630378902.db2.gz UNHZHQLBHGUHFK-LBPRGKRZSA-N 1 2 320.824 3.160 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cccc(Br)c1O)[C@H](O)C(C)C ZINC000840966465 630388391 /nfs/dbraw/zinc/38/83/91/630388391.db2.gz FYGVANRZJIEZPT-CHWSQXEVSA-N 1 2 316.239 3.040 20 10 DGCDLO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000850574646 632199529 /nfs/dbraw/zinc/19/95/29/632199529.db2.gz ZXQDAALQVVJWIR-PEBVRCNWSA-N 1 2 321.367 3.486 20 10 DGCDLO Cc1nnc(C[N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)o1 ZINC000852471312 632607997 /nfs/dbraw/zinc/60/79/97/632607997.db2.gz KJTXCZYJJMTUOM-UHFFFAOYSA-N 1 2 314.433 3.309 20 10 DGCDLO Cc1nnc(C[N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)o1 ZINC000852471312 632607999 /nfs/dbraw/zinc/60/79/99/632607999.db2.gz KJTXCZYJJMTUOM-UHFFFAOYSA-N 1 2 314.433 3.309 20 10 DGCDLO CC[C@@]1(C)COCC[N@@H+]1Cc1c(O)cccc1Br ZINC000707129705 660889698 /nfs/dbraw/zinc/88/96/98/660889698.db2.gz LLHLUCPAEBHIHP-AWEZNQCLSA-N 1 2 314.223 3.156 20 10 DGCDLO CC[C@@]1(C)COCC[N@H+]1Cc1c(O)cccc1Br ZINC000707129705 660889701 /nfs/dbraw/zinc/88/97/01/660889701.db2.gz LLHLUCPAEBHIHP-AWEZNQCLSA-N 1 2 314.223 3.156 20 10 DGCDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1c(O)cccc1Br ZINC000707146665 660893560 /nfs/dbraw/zinc/89/35/60/660893560.db2.gz QDPJWOLCPRYMHV-QWRGUYRKSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1c(O)cccc1Br ZINC000707146665 660893562 /nfs/dbraw/zinc/89/35/62/660893562.db2.gz QDPJWOLCPRYMHV-QWRGUYRKSA-N 1 2 314.223 3.154 20 10 DGCDLO Cc1ccc(C[N@H+](CCO)Cc2c(O)ccc(Cl)c2F)o1 ZINC000793365241 661027160 /nfs/dbraw/zinc/02/71/60/661027160.db2.gz JFVOXTCSXTZCHS-UHFFFAOYSA-N 1 2 313.756 3.081 20 10 DGCDLO Cc1ccc(C[N@@H+](CCO)Cc2c(O)ccc(Cl)c2F)o1 ZINC000793365241 661027161 /nfs/dbraw/zinc/02/71/61/661027161.db2.gz JFVOXTCSXTZCHS-UHFFFAOYSA-N 1 2 313.756 3.081 20 10 DGCDLO Oc1ccccc1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000325961321 655674552 /nfs/dbraw/zinc/67/45/52/655674552.db2.gz RJXRTRHMNAAFMR-UHFFFAOYSA-N 1 2 317.352 3.133 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CCCSC1 ZINC000715786950 661214418 /nfs/dbraw/zinc/21/44/18/661214418.db2.gz BYHZFTWEOLPSPU-JTQLQIEISA-N 1 2 320.227 3.279 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000716237817 661220287 /nfs/dbraw/zinc/22/02/87/661220287.db2.gz LTJZQMLUFYKEOS-INIZCTEOSA-N 1 2 316.832 3.410 20 10 DGCDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000170748510 659234876 /nfs/dbraw/zinc/23/48/76/659234876.db2.gz BCOISCQJSNKHMW-UHFFFAOYSA-N 1 2 306.841 3.080 20 10 DGCDLO Cc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000170748510 659234878 /nfs/dbraw/zinc/23/48/78/659234878.db2.gz BCOISCQJSNKHMW-UHFFFAOYSA-N 1 2 306.841 3.080 20 10 DGCDLO C[C@H](c1ccccc1)[N@H+](Cc1nncn1C)Cc1ccccc1O ZINC000179642000 659936237 /nfs/dbraw/zinc/93/62/37/659936237.db2.gz YKYDUVVGCGVGJR-OAHLLOKOSA-N 1 2 322.412 3.284 20 10 DGCDLO C[C@H](c1ccccc1)[N@@H+](Cc1nncn1C)Cc1ccccc1O ZINC000179642000 659936238 /nfs/dbraw/zinc/93/62/38/659936238.db2.gz YKYDUVVGCGVGJR-OAHLLOKOSA-N 1 2 322.412 3.284 20 10 DGCDLO Cc1cc(Br)cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)c1O ZINC000180256903 659957532 /nfs/dbraw/zinc/95/75/32/659957532.db2.gz NHSBITOGBUUBSP-WDEREUQCSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c1O ZINC000180256903 659957533 /nfs/dbraw/zinc/95/75/33/659957533.db2.gz NHSBITOGBUUBSP-WDEREUQCSA-N 1 2 314.223 3.072 20 10 DGCDLO C[N@H+](Cc1nccn1C(F)F)Cc1cc2c(cc1O)CCCC2 ZINC000159722758 661894390 /nfs/dbraw/zinc/89/43/90/661894390.db2.gz IUAHCJNZOXWTED-UHFFFAOYSA-N 1 2 321.371 3.495 20 10 DGCDLO C[N@@H+](Cc1nccn1C(F)F)Cc1cc2c(cc1O)CCCC2 ZINC000159722758 661894394 /nfs/dbraw/zinc/89/43/94/661894394.db2.gz IUAHCJNZOXWTED-UHFFFAOYSA-N 1 2 321.371 3.495 20 10 DGCDLO COc1ccc(N2CC[NH+](Cc3cccnc3Cl)CC2)cc1 ZINC000195524206 662191329 /nfs/dbraw/zinc/19/13/29/662191329.db2.gz DDNZAGICCPYFRD-UHFFFAOYSA-N 1 2 317.820 3.066 20 10 DGCDLO Cc1cc(Br)cc(C[N@H+]2CCO[C@H](C)[C@H]2C)c1O ZINC000245855381 662242895 /nfs/dbraw/zinc/24/28/95/662242895.db2.gz NHSBITOGBUUBSP-GHMZBOCLSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)c1O ZINC000245855381 662242897 /nfs/dbraw/zinc/24/28/97/662242897.db2.gz NHSBITOGBUUBSP-GHMZBOCLSA-N 1 2 314.223 3.072 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000092486740 662331937 /nfs/dbraw/zinc/33/19/37/662331937.db2.gz LJWNGPQPPDATNA-GWCFXTLKSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000092486740 662331940 /nfs/dbraw/zinc/33/19/40/662331940.db2.gz LJWNGPQPPDATNA-GWCFXTLKSA-N 1 2 314.223 3.154 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC001620807296 1192086620 /nfs/dbraw/zinc/08/66/20/1192086620.db2.gz SMJCHFITFJULLY-GFCCVEGCSA-N 1 2 301.770 3.069 20 10 DGCDLO Cc1cccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC001620854389 1192461376 /nfs/dbraw/zinc/46/13/76/1192461376.db2.gz DVDQVVQDGPAGQP-HNNXBMFYSA-N 1 2 309.768 3.316 20 10 DGCDLO Nc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC001336116937 1178995612 /nfs/dbraw/zinc/99/56/12/1178995612.db2.gz IIUNTKFKWCMTDL-QGZVFWFLSA-N 1 2 304.340 3.121 20 10 DGCDLO Nc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC001336116937 1178995616 /nfs/dbraw/zinc/99/56/16/1178995616.db2.gz IIUNTKFKWCMTDL-QGZVFWFLSA-N 1 2 304.340 3.121 20 10 DGCDLO CCOc1cccc(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1O ZINC001341570208 1179030383 /nfs/dbraw/zinc/03/03/83/1179030383.db2.gz VSXMRHRWPNEUQJ-UHFFFAOYSA-N 1 2 314.341 3.215 20 10 DGCDLO CCOc1cccc(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1O ZINC001341570208 1179030390 /nfs/dbraw/zinc/03/03/90/1179030390.db2.gz VSXMRHRWPNEUQJ-UHFFFAOYSA-N 1 2 314.341 3.215 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1c(F)cc(F)cc1F ZINC001621061366 1192998242 /nfs/dbraw/zinc/99/82/42/1192998242.db2.gz KLFIFHRQJGBWQU-UHFFFAOYSA-N 1 2 303.230 3.378 20 10 DGCDLO CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)C1CCCCC1 ZINC001461050026 1182761029 /nfs/dbraw/zinc/76/10/29/1182761029.db2.gz JQZLKQIXHOOXHR-INIZCTEOSA-N 1 2 312.404 3.271 20 10 DGCDLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(F)c(F)cc1O ZINC001461905912 1182874020 /nfs/dbraw/zinc/87/40/20/1182874020.db2.gz IMXXTTQVLLEJBN-UHFFFAOYSA-N 1 2 311.328 3.220 20 10 DGCDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(F)c(F)cc1O ZINC001461905912 1182874030 /nfs/dbraw/zinc/87/40/30/1182874030.db2.gz IMXXTTQVLLEJBN-UHFFFAOYSA-N 1 2 311.328 3.220 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H](CC)O1 ZINC001462358745 1182942214 /nfs/dbraw/zinc/94/22/14/1182942214.db2.gz XTBYTLNPLZGJBC-OKILXGFUSA-N 1 2 312.404 3.420 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H](CC)O1 ZINC001462358745 1182942219 /nfs/dbraw/zinc/94/22/19/1182942219.db2.gz XTBYTLNPLZGJBC-OKILXGFUSA-N 1 2 312.404 3.420 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC001474100692 1183867528 /nfs/dbraw/zinc/86/75/28/1183867528.db2.gz SXWCWBWEYZWQFH-DFBGVHRSSA-N 1 2 311.784 3.232 20 10 DGCDLO Cc1cc(CC(=O)Nc2cc[nH+]c(C)c2)c(C)n1-c1ccccc1 ZINC001521203112 1187004343 /nfs/dbraw/zinc/00/43/43/1187004343.db2.gz OURHDDGUIYSCSV-UHFFFAOYSA-N 1 2 319.408 3.401 20 10 DGCDLO C=C/C=C\CC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001615936008 1193531110 /nfs/dbraw/zinc/53/11/10/1193531110.db2.gz YLVDFCWAHIUBSS-PLNGDYQASA-N 1 2 309.793 3.153 20 10 DGCDLO C=C/C=C\CC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001615936008 1193531113 /nfs/dbraw/zinc/53/11/13/1193531113.db2.gz YLVDFCWAHIUBSS-PLNGDYQASA-N 1 2 309.793 3.153 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC001561008769 1189419644 /nfs/dbraw/zinc/41/96/44/1189419644.db2.gz IVAMXGSJVMXUFJ-LLVKDONJSA-N 1 2 313.291 3.150 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC001561008769 1189419646 /nfs/dbraw/zinc/41/96/46/1189419646.db2.gz IVAMXGSJVMXUFJ-LLVKDONJSA-N 1 2 313.291 3.150 20 10 DGCDLO COc1nscc1C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC001660074774 1196442332 /nfs/dbraw/zinc/44/23/32/1196442332.db2.gz PPCQJBYWEDBNAO-UHFFFAOYSA-N 1 2 305.447 3.158 20 10 DGCDLO COc1nscc1C[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC001660074774 1196442334 /nfs/dbraw/zinc/44/23/34/1196442334.db2.gz PPCQJBYWEDBNAO-UHFFFAOYSA-N 1 2 305.447 3.158 20 10 DGCDLO CCn1cnc(Cl)c1C[NH2+]Cc1cccc(Cl)c1O ZINC001663442144 1196868741 /nfs/dbraw/zinc/86/87/41/1196868741.db2.gz KROKIZZEUWLNIL-UHFFFAOYSA-N 1 2 300.189 3.205 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC001663441815 1196869043 /nfs/dbraw/zinc/86/90/43/1196869043.db2.gz FQJZQFJBGVTWJR-UHFFFAOYSA-N 1 2 314.776 3.121 20 10 DGCDLO COc1cc(N(C)Cc2cc(C)[nH+]c(C)c2)cc(OC)c1OC ZINC001664238296 1196982314 /nfs/dbraw/zinc/98/23/14/1196982314.db2.gz KGNZRBXFRPSMSG-UHFFFAOYSA-N 1 2 316.401 3.361 20 10 DGCDLO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001181021694 1083385800 /nfs/dbraw/zinc/38/58/00/1083385800.db2.gz IGQDUPXIWGSLJF-HNNXBMFYSA-N 1 2 321.367 3.444 20 10 DGCDLO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001181021694 1083385809 /nfs/dbraw/zinc/38/58/09/1083385809.db2.gz IGQDUPXIWGSLJF-HNNXBMFYSA-N 1 2 321.367 3.444 20 10 DGCDLO CCOC(=O)N1CCC(C)(C[N@H+](C)c2ccc(OC)cc2)CC1 ZINC001182734696 1083792850 /nfs/dbraw/zinc/79/28/50/1083792850.db2.gz ZWRINRHEDLRELC-UHFFFAOYSA-N 1 2 320.433 3.390 20 10 DGCDLO CCOC(=O)N1CCC(C)(C[N@@H+](C)c2ccc(OC)cc2)CC1 ZINC001182734696 1083792856 /nfs/dbraw/zinc/79/28/56/1083792856.db2.gz ZWRINRHEDLRELC-UHFFFAOYSA-N 1 2 320.433 3.390 20 10 DGCDLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)cc1Br ZINC001250120527 1083992446 /nfs/dbraw/zinc/99/24/46/1083992446.db2.gz HDOHMAAWWATPCB-XHVZSJERSA-N 1 2 314.198 3.253 20 10 DGCDLO Cc1cc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)cc1Br ZINC001250120527 1083992454 /nfs/dbraw/zinc/99/24/54/1083992454.db2.gz HDOHMAAWWATPCB-XHVZSJERSA-N 1 2 314.198 3.253 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(-c2noc(C[NH+]3CCC3)n2)cc1 ZINC001212095305 1087195899 /nfs/dbraw/zinc/19/58/99/1087195899.db2.gz ANZRDUAOZIPMFR-UHFFFAOYSA-N 1 2 308.385 3.350 20 10 DGCDLO C[C@@H]1C(=O)CC[N@H+](Cc2cc(F)c(F)cc2O)C12CCCC2 ZINC001142534396 1087279702 /nfs/dbraw/zinc/27/97/02/1087279702.db2.gz IBOBSVTXIXXCAU-LLVKDONJSA-N 1 2 309.356 3.394 20 10 DGCDLO C[C@@H]1C(=O)CC[N@@H+](Cc2cc(F)c(F)cc2O)C12CCCC2 ZINC001142534396 1087279704 /nfs/dbraw/zinc/27/97/04/1087279704.db2.gz IBOBSVTXIXXCAU-LLVKDONJSA-N 1 2 309.356 3.394 20 10 DGCDLO CCN(Cc1ccccc1O)c1nc(NC(C)C)c(OC)c[nH+]1 ZINC001154882790 1088807984 /nfs/dbraw/zinc/80/79/84/1088807984.db2.gz XXHMFNUZRYHWDB-UHFFFAOYSA-N 1 2 316.405 3.038 20 10 DGCDLO COc1c[nH+]c(NCc2c(C)cc(C)cc2O)nc1NC(C)C ZINC001160808149 1088971541 /nfs/dbraw/zinc/97/15/41/1088971541.db2.gz MHCFYEYZHQJCEY-UHFFFAOYSA-N 1 2 316.405 3.240 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cccc(F)c1F)CCC2 ZINC001204203239 1090920974 /nfs/dbraw/zinc/92/09/74/1090920974.db2.gz VRBFISBAILPHPN-UHFFFAOYSA-N 1 2 305.324 3.324 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cccc(F)c1F)CCC2 ZINC001204203239 1090920976 /nfs/dbraw/zinc/92/09/76/1090920976.db2.gz VRBFISBAILPHPN-UHFFFAOYSA-N 1 2 305.324 3.324 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1ccc(F)cc1F)CCC2 ZINC001204213021 1090923813 /nfs/dbraw/zinc/92/38/13/1090923813.db2.gz XPFWRHYRUSJOPS-UHFFFAOYSA-N 1 2 305.324 3.324 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1ccc(F)cc1F)CCC2 ZINC001204213021 1090923818 /nfs/dbraw/zinc/92/38/18/1090923818.db2.gz XPFWRHYRUSJOPS-UHFFFAOYSA-N 1 2 305.324 3.324 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCn3nccc3C2)c2ccccc21 ZINC001204239741 1090931746 /nfs/dbraw/zinc/93/17/46/1090931746.db2.gz DTFAPSVWQMXXAO-UHFFFAOYSA-N 1 2 306.413 3.118 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCn3nccc3C2)c2ccccc21 ZINC001204239741 1090931748 /nfs/dbraw/zinc/93/17/48/1090931748.db2.gz DTFAPSVWQMXXAO-UHFFFAOYSA-N 1 2 306.413 3.118 20 10 DGCDLO CCOC(=O)C[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CCC1 ZINC001205276793 1091161197 /nfs/dbraw/zinc/16/11/97/1091161197.db2.gz MCIFAXJLDDAXFQ-SREVYHEPSA-N 1 2 316.445 3.183 20 10 DGCDLO CCOC(=O)C[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C1CCC1 ZINC001205276793 1091161198 /nfs/dbraw/zinc/16/11/98/1091161198.db2.gz MCIFAXJLDDAXFQ-SREVYHEPSA-N 1 2 316.445 3.183 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ncccc2C)C1 ZINC001205800555 1091353801 /nfs/dbraw/zinc/35/38/01/1091353801.db2.gz YCOVECVLDXQCFK-UHFFFAOYSA-N 1 2 321.424 3.449 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ncccc2C)C1 ZINC001205800555 1091353811 /nfs/dbraw/zinc/35/38/11/1091353811.db2.gz YCOVECVLDXQCFK-UHFFFAOYSA-N 1 2 321.424 3.449 20 10 DGCDLO CC[N@H+](Cc1ccncc1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139126274 1091456890 /nfs/dbraw/zinc/45/68/90/1091456890.db2.gz DFGPDJRWGUQYER-UHFFFAOYSA-N 1 2 324.380 3.224 20 10 DGCDLO CC[N@@H+](Cc1ccncc1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139126274 1091456892 /nfs/dbraw/zinc/45/68/92/1091456892.db2.gz DFGPDJRWGUQYER-UHFFFAOYSA-N 1 2 324.380 3.224 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](C)CC1 ZINC001139125110 1091456956 /nfs/dbraw/zinc/45/69/56/1091456956.db2.gz MCLDWCXWDILATL-LBPRGKRZSA-N 1 2 301.386 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](C)CC1 ZINC001139125110 1091456960 /nfs/dbraw/zinc/45/69/60/1091456960.db2.gz MCLDWCXWDILATL-LBPRGKRZSA-N 1 2 301.386 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(C)(F)CC1 ZINC001139126811 1091459168 /nfs/dbraw/zinc/45/91/68/1091459168.db2.gz QUCFMYVMTKCWSI-UHFFFAOYSA-N 1 2 305.349 3.131 20 10 DGCDLO CCOC[C@@]12CCC[C@@H]1C[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581490 1091919812 /nfs/dbraw/zinc/91/98/12/1091919812.db2.gz TVLOQNYSVZXAJB-PXAZEXFGSA-N 1 2 311.372 3.309 20 10 DGCDLO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140581490 1091919818 /nfs/dbraw/zinc/91/98/18/1091919818.db2.gz TVLOQNYSVZXAJB-PXAZEXFGSA-N 1 2 311.372 3.309 20 10 DGCDLO CN(CC[N@H+](C)Cc1ccccc1)Cc1c(O)cc(F)cc1F ZINC001140585709 1091921367 /nfs/dbraw/zinc/92/13/67/1091921367.db2.gz RORJBNIIFLSSHD-UHFFFAOYSA-N 1 2 320.383 3.234 20 10 DGCDLO CN(CC[N@@H+](C)Cc1ccccc1)Cc1c(O)cc(F)cc1F ZINC001140585709 1091921371 /nfs/dbraw/zinc/92/13/71/1091921371.db2.gz RORJBNIIFLSSHD-UHFFFAOYSA-N 1 2 320.383 3.234 20 10 DGCDLO Cc1ccc(O)c(CN2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001140623673 1091936427 /nfs/dbraw/zinc/93/64/27/1091936427.db2.gz OVLSORMBSYIWOV-KRWDZBQOSA-N 1 2 310.441 3.407 20 10 DGCDLO Cc1ccc(O)c(CN2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001140623673 1091936432 /nfs/dbraw/zinc/93/64/32/1091936432.db2.gz OVLSORMBSYIWOV-KRWDZBQOSA-N 1 2 310.441 3.407 20 10 DGCDLO CC(C)(C)CC[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC001204375379 1092727555 /nfs/dbraw/zinc/72/75/55/1092727555.db2.gz RIWLUQSQUJTURH-UHFFFAOYSA-N 1 2 312.404 3.224 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCn3cncc3C2)cc1 ZINC001209520519 1092807162 /nfs/dbraw/zinc/80/71/62/1092807162.db2.gz ZWLBPARPFJMJMU-UHFFFAOYSA-N 1 2 306.413 3.306 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCn3cncc3C2)cc1 ZINC001209520519 1092807170 /nfs/dbraw/zinc/80/71/70/1092807170.db2.gz ZWLBPARPFJMJMU-UHFFFAOYSA-N 1 2 306.413 3.306 20 10 DGCDLO COc1ccc(F)c(C[N@@H+]2CCc3cccc(O)c3C2)c1F ZINC001143980228 1095460224 /nfs/dbraw/zinc/46/02/24/1095460224.db2.gz FZCAOSGQQPRNDF-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1ccc(F)c(C[N@H+]2CCc3cccc(O)c3C2)c1F ZINC001143980228 1095460229 /nfs/dbraw/zinc/46/02/29/1095460229.db2.gz FZCAOSGQQPRNDF-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[NH+]1CC2CC(C2)C1 ZINC001144307574 1095602328 /nfs/dbraw/zinc/60/23/28/1095602328.db2.gz AISOREOKGHTRDV-UHFFFAOYSA-N 1 2 300.171 3.136 20 10 DGCDLO COc1cccc(O)c1C[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001116826874 1095672719 /nfs/dbraw/zinc/67/27/19/1095672719.db2.gz PONHUZJRAGHCBB-UHFFFAOYSA-N 1 2 303.406 3.053 20 10 DGCDLO COc1cccc(O)c1C[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001116826874 1095672724 /nfs/dbraw/zinc/67/27/24/1095672724.db2.gz PONHUZJRAGHCBB-UHFFFAOYSA-N 1 2 303.406 3.053 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cc(Br)c[nH]1)CC2 ZINC001231580288 1097784110 /nfs/dbraw/zinc/78/41/10/1097784110.db2.gz QEWCDSLGYKTIAQ-UHFFFAOYSA-N 1 2 307.191 3.041 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cc(Br)c[nH]1)CC2 ZINC001231580288 1097784116 /nfs/dbraw/zinc/78/41/16/1097784116.db2.gz QEWCDSLGYKTIAQ-UHFFFAOYSA-N 1 2 307.191 3.041 20 10 DGCDLO COc1cc(C[N@@H+]2Cc3cccc(Cl)c3C2)c(O)cc1O ZINC001231639541 1097798948 /nfs/dbraw/zinc/79/89/48/1097798948.db2.gz SJPWCKLVPDEEHK-UHFFFAOYSA-N 1 2 305.761 3.276 20 10 DGCDLO COc1cc(C[N@H+]2Cc3cccc(Cl)c3C2)c(O)cc1O ZINC001231639541 1097798950 /nfs/dbraw/zinc/79/89/50/1097798950.db2.gz SJPWCKLVPDEEHK-UHFFFAOYSA-N 1 2 305.761 3.276 20 10 DGCDLO COC(=O)C[N@H+](Cc1ccccc1)Cc1c(C)cc(C)cc1O ZINC001231846779 1097862144 /nfs/dbraw/zinc/86/21/44/1097862144.db2.gz OXOGLNMXQIYHTE-UHFFFAOYSA-N 1 2 313.397 3.184 20 10 DGCDLO COC(=O)C[N@@H+](Cc1ccccc1)Cc1c(C)cc(C)cc1O ZINC001231846779 1097862153 /nfs/dbraw/zinc/86/21/53/1097862153.db2.gz OXOGLNMXQIYHTE-UHFFFAOYSA-N 1 2 313.397 3.184 20 10 DGCDLO Cc1cccc(O[C@H]2CC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC001231913012 1097890231 /nfs/dbraw/zinc/89/02/31/1097890231.db2.gz CRIZYKDSISMLPL-AWEZNQCLSA-N 1 2 318.804 3.402 20 10 DGCDLO Cc1cccc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC001231913012 1097890236 /nfs/dbraw/zinc/89/02/36/1097890236.db2.gz CRIZYKDSISMLPL-AWEZNQCLSA-N 1 2 318.804 3.402 20 10 DGCDLO COC(=O)c1c(C[N@@H+]2CCc3occc3C2)c2ccccc2n1C ZINC001232406385 1098030425 /nfs/dbraw/zinc/03/04/25/1098030425.db2.gz VRRPSBFDKIDGKK-UHFFFAOYSA-N 1 2 324.380 3.116 20 10 DGCDLO COC(=O)c1c(C[N@H+]2CCc3occc3C2)c2ccccc2n1C ZINC001232406385 1098030432 /nfs/dbraw/zinc/03/04/32/1098030432.db2.gz VRRPSBFDKIDGKK-UHFFFAOYSA-N 1 2 324.380 3.116 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001233032307 1098208401 /nfs/dbraw/zinc/20/84/01/1098208401.db2.gz ZDNPWSHSGDGPKE-VIFPVBQESA-N 1 2 320.177 3.475 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCC[C@@H](CF)C1 ZINC001233032307 1098208406 /nfs/dbraw/zinc/20/84/06/1098208406.db2.gz ZDNPWSHSGDGPKE-VIFPVBQESA-N 1 2 320.177 3.475 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1O ZINC001233287272 1098276616 /nfs/dbraw/zinc/27/66/16/1098276616.db2.gz FPIMMAJXRRRSNK-KGLIPLIRSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1O ZINC001233287272 1098276623 /nfs/dbraw/zinc/27/66/23/1098276623.db2.gz FPIMMAJXRRRSNK-KGLIPLIRSA-N 1 2 323.820 3.388 20 10 DGCDLO Cc1cc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2O)n(C)n1 ZINC001233418084 1098323916 /nfs/dbraw/zinc/32/39/16/1098323916.db2.gz SMFUJUADHFEBPH-UHFFFAOYSA-N 1 2 313.323 3.085 20 10 DGCDLO Cc1cc(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2O)n(C)n1 ZINC001233418084 1098323923 /nfs/dbraw/zinc/32/39/23/1098323923.db2.gz SMFUJUADHFEBPH-UHFFFAOYSA-N 1 2 313.323 3.085 20 10 DGCDLO Oc1c(C[NH+]2CC3(C2)C[C@@H](F)CS3)cccc1C(F)(F)F ZINC001233419319 1098325034 /nfs/dbraw/zinc/32/50/34/1098325034.db2.gz TVMYPBJSCXKWJP-SNVBAGLBSA-N 1 2 321.339 3.440 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC001177548264 1098554507 /nfs/dbraw/zinc/55/45/07/1098554507.db2.gz CTIIMDGUDZMXPO-CQSZACIVSA-N 1 2 313.731 3.147 20 10 DGCDLO Cn1c2cc(F)ccc2[nH+]c1NCc1cc(F)cc(F)c1O ZINC001179811466 1099210625 /nfs/dbraw/zinc/21/06/25/1099210625.db2.gz WLIXGBAQCQEDOQ-UHFFFAOYSA-N 1 2 307.275 3.308 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216063 1099472076 /nfs/dbraw/zinc/47/20/76/1099472076.db2.gz HUCJMXPKGBRJHV-ZDUSSCGKSA-N 1 2 315.244 3.415 20 10 DGCDLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC001236669056 1099734126 /nfs/dbraw/zinc/73/41/26/1099734126.db2.gz GBDLALOVRDVTSN-ZDUSSCGKSA-N 1 2 312.207 3.017 20 10 DGCDLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC001236669056 1099734137 /nfs/dbraw/zinc/73/41/37/1099734137.db2.gz GBDLALOVRDVTSN-ZDUSSCGKSA-N 1 2 312.207 3.017 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCOc3ccccc3C2)c(Cl)c1 ZINC001236800383 1099793115 /nfs/dbraw/zinc/79/31/15/1099793115.db2.gz VZNARDGUGUDOIM-UHFFFAOYSA-N 1 2 319.788 3.449 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCOc3ccccc3C2)c(Cl)c1 ZINC001236800383 1099793125 /nfs/dbraw/zinc/79/31/25/1099793125.db2.gz VZNARDGUGUDOIM-UHFFFAOYSA-N 1 2 319.788 3.449 20 10 DGCDLO COc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(O)c1Cl ZINC001236802307 1099797072 /nfs/dbraw/zinc/79/70/72/1099797072.db2.gz SGINBOPVIJSBOA-MRXNPFEDSA-N 1 2 311.809 3.057 20 10 DGCDLO COc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(O)c1Cl ZINC001236802307 1099797082 /nfs/dbraw/zinc/79/70/82/1099797082.db2.gz SGINBOPVIJSBOA-MRXNPFEDSA-N 1 2 311.809 3.057 20 10 DGCDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001237080612 1099958602 /nfs/dbraw/zinc/95/86/02/1099958602.db2.gz URWUOWLUTAIMEM-DTORHVGOSA-N 1 2 300.185 3.395 20 10 DGCDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001237080612 1099958614 /nfs/dbraw/zinc/95/86/14/1099958614.db2.gz URWUOWLUTAIMEM-DTORHVGOSA-N 1 2 300.185 3.395 20 10 DGCDLO Oc1ccc2c(c1)CC[N@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001237122922 1099981861 /nfs/dbraw/zinc/98/18/61/1099981861.db2.gz FPCSFLVTYIIKEF-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCc2ncccc2C1 ZINC001237139439 1099988285 /nfs/dbraw/zinc/98/82/85/1099988285.db2.gz FXVGYAFALNKUCF-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@H+]1CCc2ncccc2C1 ZINC001237139439 1099988296 /nfs/dbraw/zinc/98/82/96/1099988296.db2.gz FXVGYAFALNKUCF-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO COc1nc(Cl)ccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001237254166 1100050612 /nfs/dbraw/zinc/05/06/12/1100050612.db2.gz ZWTRIGDFORUIBT-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1nc(Cl)ccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001237254166 1100050617 /nfs/dbraw/zinc/05/06/17/1100050617.db2.gz ZWTRIGDFORUIBT-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO Cc1cccc(O)c1CN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001237495730 1100145460 /nfs/dbraw/zinc/14/54/60/1100145460.db2.gz UWERWZTVTYHCAN-QGZVFWFLSA-N 1 2 324.415 3.396 20 10 DGCDLO OCC[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001237618332 1100190335 /nfs/dbraw/zinc/19/03/35/1100190335.db2.gz YXYYEKHMFLDJQK-GFCCVEGCSA-N 1 2 313.800 3.169 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001237621609 1100192414 /nfs/dbraw/zinc/19/24/14/1100192414.db2.gz CWSIAYVBHGEMBP-LBPRGKRZSA-N 1 2 317.763 3.278 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001237806414 1100253403 /nfs/dbraw/zinc/25/34/03/1100253403.db2.gz VMGDQHTZORTUNW-GFCCVEGCSA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001237806414 1100253406 /nfs/dbraw/zinc/25/34/06/1100253406.db2.gz VMGDQHTZORTUNW-GFCCVEGCSA-N 1 2 313.800 3.433 20 10 DGCDLO CC[N@@H+](CCN1CCCCC1)Cc1cc(F)c(Cl)cc1O ZINC001237949258 1100301279 /nfs/dbraw/zinc/30/12/79/1100301279.db2.gz JCEKPXOJAVVBFM-UHFFFAOYSA-N 1 2 314.832 3.493 20 10 DGCDLO CCOc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(F)cn1 ZINC001238734001 1100515439 /nfs/dbraw/zinc/51/54/39/1100515439.db2.gz HGDWVPLXLGBCRM-UHFFFAOYSA-N 1 2 317.408 3.317 20 10 DGCDLO CCOc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(F)cn1 ZINC001238734001 1100515444 /nfs/dbraw/zinc/51/54/44/1100515444.db2.gz HGDWVPLXLGBCRM-UHFFFAOYSA-N 1 2 317.408 3.317 20 10 DGCDLO CC(C)(C)CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001202160649 1102865638 /nfs/dbraw/zinc/86/56/38/1102865638.db2.gz YGNXMAFQSJQZFV-LBPRGKRZSA-N 1 2 303.805 3.462 20 10 DGCDLO Cc1cc(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)ccc1N(C)C ZINC001330326255 1104539246 /nfs/dbraw/zinc/53/92/46/1104539246.db2.gz CNRSFTTWJRAWSH-UHFFFAOYSA-N 1 2 311.385 3.485 20 10 DGCDLO Cc1cc(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)ccc1N(C)C ZINC001330326255 1104539254 /nfs/dbraw/zinc/53/92/54/1104539254.db2.gz CNRSFTTWJRAWSH-UHFFFAOYSA-N 1 2 311.385 3.485 20 10 DGCDLO C[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001308250421 1105843373 /nfs/dbraw/zinc/84/33/73/1105843373.db2.gz RTLHKTNQVPVXHO-ZETCQYMHSA-N 1 2 315.694 3.242 20 10 DGCDLO CC(C)C1(O)CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001474749501 1107116508 /nfs/dbraw/zinc/11/65/08/1107116508.db2.gz MCLJQNHEJOIVKA-UHFFFAOYSA-N 1 2 301.789 3.168 20 10 DGCDLO COc1cc(C)cc(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1O ZINC001319468418 1108482827 /nfs/dbraw/zinc/48/28/27/1108482827.db2.gz XOEUNVSRJNSKBA-UHFFFAOYSA-N 1 2 314.341 3.133 20 10 DGCDLO COc1cc(C)cc(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1O ZINC001319468418 1108482829 /nfs/dbraw/zinc/48/28/29/1108482829.db2.gz XOEUNVSRJNSKBA-UHFFFAOYSA-N 1 2 314.341 3.133 20 10 DGCDLO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1cccc(Br)c1O ZINC001308741888 1111468300 /nfs/dbraw/zinc/46/83/00/1111468300.db2.gz KOHQXWQGHDJOGY-MNOVXSKESA-N 1 2 314.223 3.059 20 10 DGCDLO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cccc(Br)c1O ZINC001308741887 1111468406 /nfs/dbraw/zinc/46/84/06/1111468406.db2.gz KOHQXWQGHDJOGY-GHMZBOCLSA-N 1 2 314.223 3.059 20 10 DGCDLO Cc1nc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000072952780 191255075 /nfs/dbraw/zinc/25/50/75/191255075.db2.gz FMUPWKWGLSGMPP-INIZCTEOSA-N 1 2 318.442 3.338 20 10 DGCDLO Cc1nc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000072952780 191255078 /nfs/dbraw/zinc/25/50/78/191255078.db2.gz FMUPWKWGLSGMPP-INIZCTEOSA-N 1 2 318.442 3.338 20 10 DGCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)c1O ZINC000179672097 432066616 /nfs/dbraw/zinc/06/66/16/432066616.db2.gz ITGNCHVARGRTTA-UHFFFAOYSA-N 1 2 324.852 3.044 20 10 DGCDLO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187748064 299302294 /nfs/dbraw/zinc/30/22/94/299302294.db2.gz IPZQRMZOZMTSEF-AAEUAGOBSA-N 1 2 307.340 3.097 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1O ZINC000278479062 299317859 /nfs/dbraw/zinc/31/78/59/299317859.db2.gz OOZFMGWXYZYGDI-WCQYABFASA-N 1 2 310.388 3.338 20 10 DGCDLO COc1cc(C)cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273502017 130128844 /nfs/dbraw/zinc/12/88/44/130128844.db2.gz QGNFCWKFVCEKRI-GFCCVEGCSA-N 1 2 316.357 3.468 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)c1ncn(C)n1 ZINC000275694693 130363522 /nfs/dbraw/zinc/36/35/22/130363522.db2.gz JTIBDUZDLZTGGK-YUMQZZPRSA-N 1 2 315.204 3.239 20 10 DGCDLO Cc1noc(C(C)(C)[NH2+]Cc2cc(Cl)cc(Cl)c2O)n1 ZINC000284073260 131046141 /nfs/dbraw/zinc/04/61/41/131046141.db2.gz QOANFHIUMBHQCB-UHFFFAOYSA-N 1 2 316.188 3.415 20 10 DGCDLO CC[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc(Cl)c1O ZINC000287677340 131294493 /nfs/dbraw/zinc/29/44/93/131294493.db2.gz MLKVMVIBZGABNX-WFASDCNBSA-N 1 2 313.825 3.282 20 10 DGCDLO CCn1cc[nH+]c1CNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000295727503 131918005 /nfs/dbraw/zinc/91/80/05/131918005.db2.gz LELJLVHXZKWANQ-UHFFFAOYSA-N 1 2 322.412 3.241 20 10 DGCDLO CO[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000273363680 285607690 /nfs/dbraw/zinc/60/76/90/285607690.db2.gz DKNZAFLFKAKLSH-SJCJKPOMSA-N 1 2 316.357 3.339 20 10 DGCDLO CC[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc(Cl)c1O ZINC000287599350 286913963 /nfs/dbraw/zinc/91/39/63/286913963.db2.gz INJZDIOLWBNJPK-CYBMUJFWSA-N 1 2 320.824 3.214 20 10 DGCDLO Oc1cccc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)c1 ZINC000179621338 228352579 /nfs/dbraw/zinc/35/25/79/228352579.db2.gz PAWXITJXJSSBFS-UHFFFAOYSA-N 1 2 318.804 3.073 20 10 DGCDLO FC(F)Oc1ccc2c(c1)CCCN2CCCn1cc[nH+]c1 ZINC000182878128 228370067 /nfs/dbraw/zinc/37/00/67/228370067.db2.gz RHWDROPCQQFXJT-UHFFFAOYSA-N 1 2 307.344 3.327 20 10 DGCDLO Cc1c2ccccc2n(C)c1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000359837521 229384299 /nfs/dbraw/zinc/38/42/99/229384299.db2.gz OGMMQFVHPFHYJL-UHFFFAOYSA-N 1 2 321.428 3.489 20 10 DGCDLO Cc1c2ccccc2n(C)c1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000359837521 229384304 /nfs/dbraw/zinc/38/43/04/229384304.db2.gz OGMMQFVHPFHYJL-UHFFFAOYSA-N 1 2 321.428 3.489 20 10 DGCDLO Cc1nc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000072952781 431359138 /nfs/dbraw/zinc/35/91/38/431359138.db2.gz FMUPWKWGLSGMPP-MRXNPFEDSA-N 1 2 318.442 3.338 20 10 DGCDLO Cc1nc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000072952781 431359147 /nfs/dbraw/zinc/35/91/47/431359147.db2.gz FMUPWKWGLSGMPP-MRXNPFEDSA-N 1 2 318.442 3.338 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000191428854 432262945 /nfs/dbraw/zinc/26/29/45/432262945.db2.gz ZBKSFKKGSQYETH-AWEZNQCLSA-N 1 2 311.740 3.351 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000191428854 432262948 /nfs/dbraw/zinc/26/29/48/432262948.db2.gz ZBKSFKKGSQYETH-AWEZNQCLSA-N 1 2 311.740 3.351 20 10 DGCDLO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000193502704 432478222 /nfs/dbraw/zinc/47/82/22/432478222.db2.gz ZRSQCUWWVFOMBE-GZMMTYOYSA-N 1 2 318.200 3.130 20 10 DGCDLO CCn1cnnc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000273435793 432599506 /nfs/dbraw/zinc/59/95/06/432599506.db2.gz WZGBFDDPXDOTDW-MRVPVSSYSA-N 1 2 315.204 3.161 20 10 DGCDLO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187798197 432686524 /nfs/dbraw/zinc/68/65/24/432686524.db2.gz HFQZIYWHHRVICV-XHDPSFHLSA-N 1 2 307.340 3.363 20 10 DGCDLO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187806207 432686575 /nfs/dbraw/zinc/68/65/75/432686575.db2.gz GNOBSLMEPCDPTE-SNVBAGLBSA-N 1 2 323.387 3.380 20 10 DGCDLO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187754890 288634413 /nfs/dbraw/zinc/63/44/13/288634413.db2.gz DDANUTCSZLZXBW-CABZTGNLSA-N 1 2 322.359 3.010 20 10 DGCDLO CN(C)c1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1F ZINC000268150062 432850360 /nfs/dbraw/zinc/85/03/60/432850360.db2.gz AWXWYFWCNGHTHC-UHFFFAOYSA-N 1 2 322.453 3.331 20 10 DGCDLO Cc1[nH]ncc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000281005128 433251118 /nfs/dbraw/zinc/25/11/18/433251118.db2.gz WGWHQTRTFJZJAJ-UHFFFAOYSA-N 1 2 312.339 3.093 20 10 DGCDLO OC[C@]1(C[NH2+]Cc2cccc(Cl)c2O)C[C@H]1c1ccccc1 ZINC000291692061 433317088 /nfs/dbraw/zinc/31/70/88/433317088.db2.gz YFFMVJNLVLWSHH-MAUKXSAKSA-N 1 2 317.816 3.301 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)c1O ZINC000375358931 433436756 /nfs/dbraw/zinc/43/67/56/433436756.db2.gz ZDCQMYRNLVNSIV-GFCCVEGCSA-N 1 2 307.781 3.114 20 10 DGCDLO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000375355815 433436849 /nfs/dbraw/zinc/43/68/49/433436849.db2.gz XQKPAJSBXYMPIX-LBPRGKRZSA-N 1 2 322.206 3.215 20 10 DGCDLO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000375355815 433436865 /nfs/dbraw/zinc/43/68/65/433436865.db2.gz XQKPAJSBXYMPIX-LBPRGKRZSA-N 1 2 322.206 3.215 20 10 DGCDLO Cc1nccnc1CC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000292967547 433604703 /nfs/dbraw/zinc/60/47/03/433604703.db2.gz KAKAAAAPQUCFBB-UHFFFAOYSA-N 1 2 312.200 3.130 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1O ZINC000282552663 433616324 /nfs/dbraw/zinc/61/63/24/433616324.db2.gz XIZHIDGLKOVDGZ-NOZJJQNGSA-N 1 2 307.344 3.132 20 10 DGCDLO C[C@H]1C[C@H](CC[NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293636721 433811810 /nfs/dbraw/zinc/81/18/10/433811810.db2.gz NPCYLUCRXTVUGS-WDEREUQCSA-N 1 2 301.789 3.480 20 10 DGCDLO CCN(Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(OC)cc1 ZINC000363315892 434019607 /nfs/dbraw/zinc/01/96/07/434019607.db2.gz ATQATOBIWIITSV-UHFFFAOYSA-N 1 2 308.385 3.302 20 10 DGCDLO CN1CCCc2cc(C[NH2+]Cc3c(F)ccc(O)c3F)ccc21 ZINC000294440006 434114970 /nfs/dbraw/zinc/11/49/70/434114970.db2.gz XTJHROAUUHNDOZ-UHFFFAOYSA-N 1 2 318.367 3.343 20 10 DGCDLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(N(C)C)cc2)no1 ZINC000371404286 434692500 /nfs/dbraw/zinc/69/25/00/434692500.db2.gz KUTNQRVXAPMFNX-MRXNPFEDSA-N 1 2 300.406 3.171 20 10 DGCDLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(N(C)C)cc2)no1 ZINC000371404286 434692510 /nfs/dbraw/zinc/69/25/10/434692510.db2.gz KUTNQRVXAPMFNX-MRXNPFEDSA-N 1 2 300.406 3.171 20 10 DGCDLO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000368591825 303074424 /nfs/dbraw/zinc/07/44/24/303074424.db2.gz NACZGARUVJILCT-GFCCVEGCSA-N 1 2 305.809 3.159 20 10 DGCDLO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000368591825 303074426 /nfs/dbraw/zinc/07/44/26/303074426.db2.gz NACZGARUVJILCT-GFCCVEGCSA-N 1 2 305.809 3.159 20 10 DGCDLO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187731405 333236626 /nfs/dbraw/zinc/23/66/26/333236626.db2.gz JWSPEMQYXZNBMM-OCCSQVGLSA-N 1 2 321.367 3.487 20 10 DGCDLO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(F)c(F)c1O ZINC000187733867 333237010 /nfs/dbraw/zinc/23/70/10/333237010.db2.gz XLQPATHLVOZNRW-VIFPVBQESA-N 1 2 301.333 3.053 20 10 DGCDLO COc1cc(N(C)Cc2[nH+]ccn2C(C)C)cc(OC)c1OC ZINC000265976753 522621346 /nfs/dbraw/zinc/62/13/46/522621346.db2.gz BYYVMASWMSLSDY-UHFFFAOYSA-N 1 2 319.405 3.126 20 10 DGCDLO CCn1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)cn1 ZINC000265530736 523385930 /nfs/dbraw/zinc/38/59/30/523385930.db2.gz PRBFFVMLEZVSLB-UHFFFAOYSA-N 1 2 300.189 3.205 20 10 DGCDLO C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])Cn1cc[nH+]c1 ZINC000237532679 524488045 /nfs/dbraw/zinc/48/80/45/524488045.db2.gz DKAKBZKBGUAUEN-SNVBAGLBSA-N 1 2 314.216 3.321 20 10 DGCDLO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(F)c(F)c1O ZINC000191212816 525380369 /nfs/dbraw/zinc/38/03/69/525380369.db2.gz FNOLIBIMLKDDMQ-LKFCYVNXSA-N 1 2 311.303 3.194 20 10 DGCDLO Cc1csc([C@H]2COCC[N@@H+]2Cc2cc(C)ccc2O)n1 ZINC000190413386 526446692 /nfs/dbraw/zinc/44/66/92/526446692.db2.gz UOAJKQBLLQVYEX-CQSZACIVSA-N 1 2 304.415 3.039 20 10 DGCDLO Cc1csc([C@H]2COCC[N@H+]2Cc2cc(C)ccc2O)n1 ZINC000190413386 526446697 /nfs/dbraw/zinc/44/66/97/526446697.db2.gz UOAJKQBLLQVYEX-CQSZACIVSA-N 1 2 304.415 3.039 20 10 DGCDLO C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)[C@@H]2C1 ZINC000272589085 536464581 /nfs/dbraw/zinc/46/45/81/536464581.db2.gz HQLLOZACRFTKTM-QMTHXVAHSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@H+]1CC[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)[C@@H]2C1 ZINC000272589085 536464585 /nfs/dbraw/zinc/46/45/85/536464585.db2.gz HQLLOZACRFTKTM-QMTHXVAHSA-N 1 2 315.244 3.225 20 10 DGCDLO CCc1cccc(C[NH2+]CC(F)(F)C2(O)CCCCC2)c1O ZINC001659082404 1196342133 /nfs/dbraw/zinc/34/21/33/1196342133.db2.gz YDOFJAHNYINBRE-UHFFFAOYSA-N 1 2 313.388 3.375 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)c2nc(C)no2)cc1 ZINC000738299317 574864854 /nfs/dbraw/zinc/86/48/54/574864854.db2.gz NNKWIEGXEFFXFU-ZDUSSCGKSA-N 1 2 302.422 3.417 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)c2nc(C)no2)cc1 ZINC000738299317 574864857 /nfs/dbraw/zinc/86/48/57/574864857.db2.gz NNKWIEGXEFFXFU-ZDUSSCGKSA-N 1 2 302.422 3.417 20 10 DGCDLO CCCOC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741774398 574969289 /nfs/dbraw/zinc/96/92/89/574969289.db2.gz BGGMHAUFKKXMMN-MRXNPFEDSA-N 1 2 318.461 3.450 20 10 DGCDLO CCCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741774398 574969291 /nfs/dbraw/zinc/96/92/91/574969291.db2.gz BGGMHAUFKKXMMN-MRXNPFEDSA-N 1 2 318.461 3.450 20 10 DGCDLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H](CC(F)(F)F)O1 ZINC000852741121 620644569 /nfs/dbraw/zinc/64/45/69/620644569.db2.gz FPWMMPDSKIOZMH-WFASDCNBSA-N 1 2 316.367 3.294 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H](CC(F)(F)F)O1 ZINC000852741121 620644571 /nfs/dbraw/zinc/64/45/71/620644571.db2.gz FPWMMPDSKIOZMH-WFASDCNBSA-N 1 2 316.367 3.294 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCO[C@@H](C(F)(F)F)[C@H]2C)cc1C ZINC000853573316 620710652 /nfs/dbraw/zinc/71/06/52/620710652.db2.gz WGGSLQLXDLUJCX-BXUZGUMPSA-N 1 2 303.324 3.161 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](C(F)(F)F)[C@H]2C)cc1C ZINC000853573316 620710654 /nfs/dbraw/zinc/71/06/54/620710654.db2.gz WGGSLQLXDLUJCX-BXUZGUMPSA-N 1 2 303.324 3.161 20 10 DGCDLO COc1ccc(N2CC[C@@H](Nc3cc(C)[nH+]c(C4CC4)n3)C2)cc1 ZINC000853758746 620734466 /nfs/dbraw/zinc/73/44/66/620734466.db2.gz JYSNMFHGKJQVNK-OAHLLOKOSA-N 1 2 324.428 3.362 20 10 DGCDLO C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc(F)cc1O ZINC000840869643 618041889 /nfs/dbraw/zinc/04/18/89/618041889.db2.gz NIXHURPUZBDYMK-MRVPVSSYSA-N 1 2 315.270 3.191 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+][C@H](C)c2nonc2C)cc1F ZINC000925013183 618764024 /nfs/dbraw/zinc/76/40/24/618764024.db2.gz KTRGPEOBQRHVPG-LLVKDONJSA-N 1 2 306.385 3.214 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cnc(CC(F)(F)F)s1)C2 ZINC000895784607 618830645 /nfs/dbraw/zinc/83/06/45/618830645.db2.gz JSNYOXDNPDGPHK-UHFFFAOYSA-N 1 2 314.332 3.469 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cnc(CC(F)(F)F)s1)C2 ZINC000895784607 618830648 /nfs/dbraw/zinc/83/06/48/618830648.db2.gz JSNYOXDNPDGPHK-UHFFFAOYSA-N 1 2 314.332 3.469 20 10 DGCDLO OCC1(C(F)(F)F)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000897037517 619005137 /nfs/dbraw/zinc/00/51/37/619005137.db2.gz PFCXSWPVTUOTLD-UHFFFAOYSA-N 1 2 323.742 3.182 20 10 DGCDLO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cccc(Cl)c3O)C2)n1 ZINC000897046449 619006264 /nfs/dbraw/zinc/00/62/64/619006264.db2.gz ZEZLPBXOFIHSKW-PWSUYJOCSA-N 1 2 321.808 3.417 20 10 DGCDLO CCc1oc(C[NH2+]Cc2cccc(Cl)c2O)cc1C(=O)OC ZINC000898218498 619222510 /nfs/dbraw/zinc/22/25/10/619222510.db2.gz IEDPGCHFYNIERC-UHFFFAOYSA-N 1 2 323.776 3.277 20 10 DGCDLO CC[C@@H]([NH2+]CCOC1CCOCC1)c1cccc(Cl)c1O ZINC000927076375 619262484 /nfs/dbraw/zinc/26/24/84/619262484.db2.gz GPTYPEBNNKCYGH-OAHLLOKOSA-N 1 2 313.825 3.282 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cnn(CCF)c1)c1cccc(Cl)c1O ZINC000903274453 619750694 /nfs/dbraw/zinc/75/06/94/619750694.db2.gz MTOILEBTNJCEHU-CQSZACIVSA-N 1 2 311.788 3.453 20 10 DGCDLO C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)c1cc(F)cc(F)c1O ZINC000903326704 619761519 /nfs/dbraw/zinc/76/15/19/619761519.db2.gz MUWKNKVFYZKIBL-OTYXRUKQSA-N 1 2 305.328 3.262 20 10 DGCDLO CC[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cccc(Cl)c1O ZINC000806139913 621393343 /nfs/dbraw/zinc/39/33/43/621393343.db2.gz SHJBMRTVBSBTEF-WFASDCNBSA-N 1 2 313.825 3.282 20 10 DGCDLO CCN(Cc1cc[nH+]c(N(C)C)c1)c1ccc(OC)c(OC)c1 ZINC000754058072 621483352 /nfs/dbraw/zinc/48/33/52/621483352.db2.gz CYEFRLWYJWZGLW-UHFFFAOYSA-N 1 2 315.417 3.191 20 10 DGCDLO Cc1cccc(C[N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000862248864 621567206 /nfs/dbraw/zinc/56/72/06/621567206.db2.gz SXJOWWJNIWZLIU-UHFFFAOYSA-N 1 2 305.372 3.366 20 10 DGCDLO Cc1cccc(C[N@H+](C)Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000862248864 621567207 /nfs/dbraw/zinc/56/72/07/621567207.db2.gz SXJOWWJNIWZLIU-UHFFFAOYSA-N 1 2 305.372 3.366 20 10 DGCDLO CC(C)[NH+](CCN[C@H](C)c1cc(F)cc(F)c1O)C(C)C ZINC000756369617 621632238 /nfs/dbraw/zinc/63/22/38/621632238.db2.gz CRZZVZMKGRFYBL-GFCCVEGCSA-N 1 2 300.393 3.440 20 10 DGCDLO CO[C@@H](C)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756526982 621644949 /nfs/dbraw/zinc/64/49/49/621644949.db2.gz IPHCPXLLRDQBMP-IUCAKERBSA-N 1 2 320.202 3.369 20 10 DGCDLO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756571685 621650408 /nfs/dbraw/zinc/65/04/08/621650408.db2.gz IYGPHZSLOPCROJ-PIGZYNQJSA-N 1 2 307.340 3.229 20 10 DGCDLO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756576277 621650832 /nfs/dbraw/zinc/65/08/32/621650832.db2.gz LXPPJZWTGVGGIF-BDJLRTHQSA-N 1 2 307.340 3.363 20 10 DGCDLO C[C@H](CCCO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756647992 621655689 /nfs/dbraw/zinc/65/56/89/621655689.db2.gz VFWMNSJZZUZZMC-BDAKNGLRSA-N 1 2 320.202 3.105 20 10 DGCDLO C[C@H](CCCO)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756647995 621655739 /nfs/dbraw/zinc/65/57/39/621655739.db2.gz VFWMNSJZZUZZMC-RKDXNWHRSA-N 1 2 320.202 3.105 20 10 DGCDLO COC(C)(C)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756648138 621655871 /nfs/dbraw/zinc/65/58/71/621655871.db2.gz YWMWCFKUHDICNS-MRVPVSSYSA-N 1 2 320.202 3.369 20 10 DGCDLO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756677178 621658556 /nfs/dbraw/zinc/65/85/56/621658556.db2.gz PZVGMFOMHLEBCX-GPCCPHFNSA-N 1 2 311.328 3.426 20 10 DGCDLO C[C@H]([NH2+][C@@H]1CCOC1)c1cc(Br)cc(Cl)c1O ZINC000756770562 621663386 /nfs/dbraw/zinc/66/33/86/621663386.db2.gz WBYOGRWHQFVEQA-IONNQARKSA-N 1 2 320.614 3.248 20 10 DGCDLO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756768979 621663483 /nfs/dbraw/zinc/66/34/83/621663483.db2.gz CGQRPFFYBUEEQF-ZUZCIYMTSA-N 1 2 301.377 3.364 20 10 DGCDLO C[C@H]([NH2+]Cc1cocn1)c1cc(Br)cc(F)c1O ZINC000756831850 621667019 /nfs/dbraw/zinc/66/70/19/621667019.db2.gz PDEZEBCWGJNXLV-ZETCQYMHSA-N 1 2 315.142 3.133 20 10 DGCDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)[nH]2)c(O)c1 ZINC000756866814 621669327 /nfs/dbraw/zinc/66/93/27/621669327.db2.gz DPLVLNDTXZOGPT-ZDUSSCGKSA-N 1 2 308.385 3.337 20 10 DGCDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccccc3)n[nH]2)c(O)c1 ZINC000756866814 621669330 /nfs/dbraw/zinc/66/93/30/621669330.db2.gz DPLVLNDTXZOGPT-ZDUSSCGKSA-N 1 2 308.385 3.337 20 10 DGCDLO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Cl)c(Cl)cc1O ZINC000863548551 621682833 /nfs/dbraw/zinc/68/28/33/621682833.db2.gz ZVTBRCOWNHWGRE-BBBLOLIVSA-N 1 2 303.233 3.490 20 10 DGCDLO Cc1[nH+]c2cc(NCc3ccc(F)c(F)c3O)ccc2n1C ZINC000864031015 621729147 /nfs/dbraw/zinc/72/91/47/621729147.db2.gz SPDHICYHBHSZOM-UHFFFAOYSA-N 1 2 303.312 3.478 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000866218644 622068267 /nfs/dbraw/zinc/06/82/67/622068267.db2.gz UXLIISBHLLJVOS-SJLPKXTDSA-N 1 2 300.377 3.314 20 10 DGCDLO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(F)cc(F)c1O ZINC000866566041 622139967 /nfs/dbraw/zinc/13/99/67/622139967.db2.gz WRLJRWYBRXKJIF-ZETCQYMHSA-N 1 2 317.286 3.192 20 10 DGCDLO CCc1cc(NCc2cccc(Br)c2O)nc(C)[nH+]1 ZINC000764935307 622234029 /nfs/dbraw/zinc/23/40/29/622234029.db2.gz RFOVEKPOWUDWOE-UHFFFAOYSA-N 1 2 322.206 3.428 20 10 DGCDLO Oc1ccc(Cl)cc1C[NH+]1CCN(Cc2cccs2)CC1 ZINC000768198285 622445011 /nfs/dbraw/zinc/44/50/11/622445011.db2.gz RNPOCZUJQXVGNT-UHFFFAOYSA-N 1 2 322.861 3.425 20 10 DGCDLO Oc1cccc(Cl)c1C[NH2+]Cc1nc(-c2ccccc2)no1 ZINC000768662477 622469779 /nfs/dbraw/zinc/46/97/79/622469779.db2.gz AJFHKLUIZSTFHR-UHFFFAOYSA-N 1 2 315.760 3.385 20 10 DGCDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000769421415 622526409 /nfs/dbraw/zinc/52/64/09/622526409.db2.gz BQHFGKSXIJHKTA-GOSISDBHSA-N 1 2 313.397 3.355 20 10 DGCDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000769421415 622526411 /nfs/dbraw/zinc/52/64/11/622526411.db2.gz BQHFGKSXIJHKTA-GOSISDBHSA-N 1 2 313.397 3.355 20 10 DGCDLO CC[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1cccc(Cl)c1O ZINC000872112334 622814209 /nfs/dbraw/zinc/81/42/09/622814209.db2.gz JCHTWLFMBCFYCX-FZMZJTMJSA-N 1 2 311.809 3.430 20 10 DGCDLO CC1CCN(c2ccc(CNc3cc(CO)cc[nH+]3)cc2)CC1 ZINC000881960518 625595768 /nfs/dbraw/zinc/59/57/68/625595768.db2.gz LGFGIMYDIYZYTQ-UHFFFAOYSA-N 1 2 311.429 3.422 20 10 DGCDLO COc1ccc(C[NH2+]C(C)(C)C(F)F)cc1Cn1cccn1 ZINC000873118686 623040062 /nfs/dbraw/zinc/04/00/62/623040062.db2.gz QNWNHZKVMGMNBE-UHFFFAOYSA-N 1 2 309.360 3.073 20 10 DGCDLO CCCOc1ccc(C[NH2+]Cc2nnc(CC)s2)cc1C ZINC000873127048 623042444 /nfs/dbraw/zinc/04/24/44/623042444.db2.gz GTADBFOEVWAPLJ-UHFFFAOYSA-N 1 2 305.447 3.488 20 10 DGCDLO C[C@H]([NH2+]CCN1CCCC(C)(C)C1)c1cc(F)cc(F)c1O ZINC000774484609 623151397 /nfs/dbraw/zinc/15/13/97/623151397.db2.gz BSFMUNDVLJKTGI-LBPRGKRZSA-N 1 2 312.404 3.443 20 10 DGCDLO CC[C@@H]1COCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000124553706 623158730 /nfs/dbraw/zinc/15/87/30/623158730.db2.gz KJISWNQMXAFCGQ-CYBMUJFWSA-N 1 2 314.223 3.074 20 10 DGCDLO CC[C@@H]1COCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000124553706 623158733 /nfs/dbraw/zinc/15/87/33/623158733.db2.gz KJISWNQMXAFCGQ-CYBMUJFWSA-N 1 2 314.223 3.074 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000775663630 623308435 /nfs/dbraw/zinc/30/84/35/623308435.db2.gz PXHYYVUMQOQZHS-UHFFFAOYSA-N 1 2 309.772 3.287 20 10 DGCDLO OCC[N@H+](CCc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC000775695852 623315691 /nfs/dbraw/zinc/31/56/91/623315691.db2.gz DTBJWRJLTCHSRK-UHFFFAOYSA-N 1 2 323.795 3.222 20 10 DGCDLO OCC[N@@H+](CCc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC000775695852 623315696 /nfs/dbraw/zinc/31/56/96/623315696.db2.gz DTBJWRJLTCHSRK-UHFFFAOYSA-N 1 2 323.795 3.222 20 10 DGCDLO C[N@H+](CCc1nccs1)Cc1cc(Cl)cc(F)c1O ZINC000775733496 623320887 /nfs/dbraw/zinc/32/08/87/623320887.db2.gz FFHCRASAVXJDGK-UHFFFAOYSA-N 1 2 300.786 3.316 20 10 DGCDLO C[N@@H+](CCc1nccs1)Cc1cc(Cl)cc(F)c1O ZINC000775733496 623320896 /nfs/dbraw/zinc/32/08/96/623320896.db2.gz FFHCRASAVXJDGK-UHFFFAOYSA-N 1 2 300.786 3.316 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]CCN1CCc2ccccc21 ZINC000776088602 623374737 /nfs/dbraw/zinc/37/47/37/623374737.db2.gz MGBYRDMZOLNCDS-UHFFFAOYSA-N 1 2 302.805 3.198 20 10 DGCDLO C[C@H]([NH2+]CCCCCO)c1cc(Br)c(F)cc1O ZINC000790496622 625661132 /nfs/dbraw/zinc/66/11/32/625661132.db2.gz WYCDNGHHAHGELM-VIFPVBQESA-N 1 2 320.202 3.107 20 10 DGCDLO Oc1c(CN2CCCC[C@@H]([NH+]3CCCC3)C2)ccc(F)c1F ZINC000876662463 623673033 /nfs/dbraw/zinc/67/30/33/623673033.db2.gz LNWHQUMGSREOCL-CQSZACIVSA-N 1 2 310.388 3.121 20 10 DGCDLO COC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1cccc(OC)c1 ZINC000877626202 623968306 /nfs/dbraw/zinc/96/83/06/623968306.db2.gz SAKDYVDTUCYKQW-OAHLLOKOSA-N 1 2 323.339 3.156 20 10 DGCDLO Oc1c(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)ccc(F)c1F ZINC000877653428 623979037 /nfs/dbraw/zinc/97/90/37/623979037.db2.gz KDYSHOYFOMDTQQ-SFHVURJKSA-N 1 2 319.351 3.154 20 10 DGCDLO Oc1c(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)ccc(F)c1F ZINC000877653428 623979043 /nfs/dbraw/zinc/97/90/43/623979043.db2.gz KDYSHOYFOMDTQQ-SFHVURJKSA-N 1 2 319.351 3.154 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c1 ZINC000781908687 624170348 /nfs/dbraw/zinc/17/03/48/624170348.db2.gz KXKKEUVQFXMZSF-QWRGUYRKSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1 ZINC000781908687 624170350 /nfs/dbraw/zinc/17/03/50/624170350.db2.gz KXKKEUVQFXMZSF-QWRGUYRKSA-N 1 2 314.223 3.072 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)c1O ZINC000878877996 624378042 /nfs/dbraw/zinc/37/80/42/624378042.db2.gz NFJLAOOVKARHGI-OAHLLOKOSA-N 1 2 319.792 3.308 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c1O ZINC000878877996 624378044 /nfs/dbraw/zinc/37/80/44/624378044.db2.gz NFJLAOOVKARHGI-OAHLLOKOSA-N 1 2 319.792 3.308 20 10 DGCDLO CO[C@@H](C)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000785571870 624682827 /nfs/dbraw/zinc/68/28/27/624682827.db2.gz BWQUZEAMCFGEJS-YUMQZZPRSA-N 1 2 322.630 3.494 20 10 DGCDLO CSC(C)(C)C[NH2+]Cc1cccc(Br)c1O ZINC000128203599 624796164 /nfs/dbraw/zinc/79/61/64/624796164.db2.gz ZSTSRRMJLBXGFW-UHFFFAOYSA-N 1 2 304.253 3.386 20 10 DGCDLO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000786584850 624926525 /nfs/dbraw/zinc/92/65/25/624926525.db2.gz UXAGJHWVQLOEAK-SWLSCSKDSA-N 1 2 321.367 3.233 20 10 DGCDLO CSCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000134907993 626891307 /nfs/dbraw/zinc/89/13/07/626891307.db2.gz GRYDWOVCUFXEQV-ZETCQYMHSA-N 1 2 308.216 3.307 20 10 DGCDLO C[C@@H]([NH2+]CCC[C@H](C)O)c1cc(Br)c(F)cc1O ZINC000788603774 625225842 /nfs/dbraw/zinc/22/58/42/625225842.db2.gz DRZCYNAUPRZOPQ-DTWKUNHWSA-N 1 2 320.202 3.105 20 10 DGCDLO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(F)cc(F)c1O ZINC000788610413 625226703 /nfs/dbraw/zinc/22/67/03/625226703.db2.gz LOLZXCZTHDKOOO-NSHDSACASA-N 1 2 311.372 3.264 20 10 DGCDLO CCC[N@H+](CCN1CCCC1)Cc1cc(F)cc(C(C)=O)c1O ZINC000796378388 626044524 /nfs/dbraw/zinc/04/45/24/626044524.db2.gz IXYHUMAJPRDTAW-UHFFFAOYSA-N 1 2 322.424 3.042 20 10 DGCDLO CCC[N@@H+](CCN1CCCC1)Cc1cc(F)cc(C(C)=O)c1O ZINC000796378388 626044527 /nfs/dbraw/zinc/04/45/27/626044527.db2.gz IXYHUMAJPRDTAW-UHFFFAOYSA-N 1 2 322.424 3.042 20 10 DGCDLO Cc1cc(Br)c(O)c(C[NH2+]C2(C(F)F)CC2)c1 ZINC000800310733 626350445 /nfs/dbraw/zinc/35/04/45/626350445.db2.gz JHEXPSWVYFXENW-UHFFFAOYSA-N 1 2 306.150 3.350 20 10 DGCDLO CC[N@H+](CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(OC)cc1 ZINC000800357778 626353668 /nfs/dbraw/zinc/35/36/68/626353668.db2.gz WUQOVEOYBNCOPR-UHFFFAOYSA-N 1 2 320.433 3.388 20 10 DGCDLO CC[N@@H+](CC1CN(C(=O)OC(C)(C)C)C1)c1ccc(OC)cc1 ZINC000800357778 626353669 /nfs/dbraw/zinc/35/36/69/626353669.db2.gz WUQOVEOYBNCOPR-UHFFFAOYSA-N 1 2 320.433 3.388 20 10 DGCDLO CC[C@H]([NH2+][C@@H](CCO)CSC)c1cccc(Cl)c1O ZINC000806139440 626701286 /nfs/dbraw/zinc/70/12/86/626701286.db2.gz AOHCBJOULBEIHJ-GWCFXTLKSA-N 1 2 303.855 3.200 20 10 DGCDLO Cn1ccnc1[C@H]1[N@H+](Cc2c(O)ccc3ccncc32)CC1(C)C ZINC000840110655 626765415 /nfs/dbraw/zinc/76/54/15/626765415.db2.gz SFNIIKAPOBDUEE-QGZVFWFLSA-N 1 2 322.412 3.257 20 10 DGCDLO Cn1ccnc1[C@H]1[N@@H+](Cc2c(O)ccc3ccncc32)CC1(C)C ZINC000840110655 626765416 /nfs/dbraw/zinc/76/54/16/626765416.db2.gz SFNIIKAPOBDUEE-QGZVFWFLSA-N 1 2 322.412 3.257 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@H](O)c1ccccc1 ZINC000808721087 626853691 /nfs/dbraw/zinc/85/36/91/626853691.db2.gz HORBHWMZJKWCLH-USBNGQNGSA-N 1 2 307.340 3.443 20 10 DGCDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC000809698248 626938278 /nfs/dbraw/zinc/93/82/78/626938278.db2.gz WRJGPBGQFTXCCA-PYJLPLTJSA-N 1 2 311.784 3.040 20 10 DGCDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC000809698248 626938280 /nfs/dbraw/zinc/93/82/80/626938280.db2.gz WRJGPBGQFTXCCA-PYJLPLTJSA-N 1 2 311.784 3.040 20 10 DGCDLO COCC[N@H+](Cc1ccccn1)Cc1c(O)ccc(Cl)c1F ZINC000809734277 626943261 /nfs/dbraw/zinc/94/32/61/626943261.db2.gz CHYLWXLTUVGNTG-UHFFFAOYSA-N 1 2 324.783 3.228 20 10 DGCDLO COCC[N@@H+](Cc1ccccn1)Cc1c(O)ccc(Cl)c1F ZINC000809734277 626943262 /nfs/dbraw/zinc/94/32/62/626943262.db2.gz CHYLWXLTUVGNTG-UHFFFAOYSA-N 1 2 324.783 3.228 20 10 DGCDLO COCc1nc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cs1 ZINC000810169975 626983640 /nfs/dbraw/zinc/98/36/40/626983640.db2.gz CUMUJJNCCUYIBY-UHFFFAOYSA-N 1 2 316.785 3.077 20 10 DGCDLO Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810228088 626990360 /nfs/dbraw/zinc/99/03/60/626990360.db2.gz ARLCROFMWYVBQT-UHFFFAOYSA-N 1 2 323.400 3.030 20 10 DGCDLO CC[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1cccc(Cl)c1O ZINC000886670389 627185687 /nfs/dbraw/zinc/18/56/87/627185687.db2.gz NWTLAAHDIXNGIK-ZOWXZIJZSA-N 1 2 313.825 3.016 20 10 DGCDLO Cc1[nH+]cn(-c2ccc(NC(=O)c3cccc(O)c3O)cc2)c1C ZINC000812739334 627414382 /nfs/dbraw/zinc/41/43/82/627414382.db2.gz CBGGDFVHBVACDN-UHFFFAOYSA-N 1 2 323.352 3.153 20 10 DGCDLO Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)OC[C@H]2C)ccc1N(C)C ZINC000815116356 627628883 /nfs/dbraw/zinc/62/88/83/627628883.db2.gz KFYPVJSQTMTCSA-IUODEOHRSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)OC[C@H]2C)ccc1N(C)C ZINC000815116356 627628888 /nfs/dbraw/zinc/62/88/88/627628888.db2.gz KFYPVJSQTMTCSA-IUODEOHRSA-N 1 2 316.367 3.213 20 10 DGCDLO CC(C)n1cnnc1C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816616701 627815648 /nfs/dbraw/zinc/81/56/48/627815648.db2.gz CRVNZFXJSMAEOW-UHFFFAOYSA-N 1 2 310.401 3.350 20 10 DGCDLO CC(C)n1cnnc1C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816616701 627815649 /nfs/dbraw/zinc/81/56/49/627815649.db2.gz CRVNZFXJSMAEOW-UHFFFAOYSA-N 1 2 310.401 3.350 20 10 DGCDLO OCC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000817419202 627897774 /nfs/dbraw/zinc/89/77/74/627897774.db2.gz QYFUSGFIQZLFNC-NSHDSACASA-N 1 2 301.789 3.169 20 10 DGCDLO OCC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000817419202 627897779 /nfs/dbraw/zinc/89/77/79/627897779.db2.gz QYFUSGFIQZLFNC-NSHDSACASA-N 1 2 301.789 3.169 20 10 DGCDLO CCCN1C[C@H](C[NH2+][C@H](CC)c2cccc(Cl)c2O)CC1=O ZINC000817588998 627927376 /nfs/dbraw/zinc/92/73/76/627927376.db2.gz KQIBZEQHIDCJEZ-SWLSCSKDSA-N 1 2 324.852 3.345 20 10 DGCDLO CC[NH2+]CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817951578 627972462 /nfs/dbraw/zinc/97/24/62/627972462.db2.gz GTNFUYXCBYRQQL-QMMMGPOBSA-N 1 2 321.646 3.068 20 10 DGCDLO CC[C@H]([NH2+][C@H](CN)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000817959688 627975428 /nfs/dbraw/zinc/97/54/28/627975428.db2.gz GIJGAACJWZEXRK-QWHCGFSZSA-N 1 2 302.340 3.189 20 10 DGCDLO CO[C@@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1ccccc1 ZINC000824590194 628674405 /nfs/dbraw/zinc/67/44/05/628674405.db2.gz LXVOYTPXQPJRBO-OAHLLOKOSA-N 1 2 305.805 3.393 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824716376 628687200 /nfs/dbraw/zinc/68/72/00/628687200.db2.gz SZMAHFNHAMQRBC-CFVMTHIKSA-N 1 2 313.800 3.310 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000824716376 628687201 /nfs/dbraw/zinc/68/72/01/628687201.db2.gz SZMAHFNHAMQRBC-CFVMTHIKSA-N 1 2 313.800 3.310 20 10 DGCDLO OC[C@H]([C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1)C1CC1 ZINC000824845144 628699157 /nfs/dbraw/zinc/69/91/57/628699157.db2.gz IFLVDCFZXAGYFA-ZFWWWQNUSA-N 1 2 313.800 3.071 20 10 DGCDLO Cc1ccc(O)c(C[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)c1 ZINC000825046363 628720630 /nfs/dbraw/zinc/72/06/30/628720630.db2.gz SIKDOSWWZSMERF-KRWDZBQOSA-N 1 2 301.361 3.413 20 10 DGCDLO Cc1ccc(O)c(C[N@H+]2CCOC[C@H]2c2ccc(F)cc2)c1 ZINC000825046363 628720633 /nfs/dbraw/zinc/72/06/33/628720633.db2.gz SIKDOSWWZSMERF-KRWDZBQOSA-N 1 2 301.361 3.413 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@H]1F ZINC000825440813 628761836 /nfs/dbraw/zinc/76/18/36/628761836.db2.gz LDOORQMCGDKLGI-JOYOIKCWSA-N 1 2 302.187 3.335 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C[C@H]1F ZINC000825440813 628761841 /nfs/dbraw/zinc/76/18/41/628761841.db2.gz LDOORQMCGDKLGI-JOYOIKCWSA-N 1 2 302.187 3.335 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCC1SCCS1 ZINC000827668799 628981591 /nfs/dbraw/zinc/98/15/91/628981591.db2.gz QACQOVBBQUVQFA-UHFFFAOYSA-N 1 2 307.843 3.471 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000835053544 629837384 /nfs/dbraw/zinc/83/73/84/629837384.db2.gz NWKVJINSAHYGNP-MJSXRHKHSA-N 1 2 310.388 3.122 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000835053544 629837386 /nfs/dbraw/zinc/83/73/86/629837386.db2.gz NWKVJINSAHYGNP-MJSXRHKHSA-N 1 2 310.388 3.122 20 10 DGCDLO C[C@H]([NH2+]Cc1cccc(Br)c1O)[C@@H]1CC1(F)F ZINC000840967874 630388333 /nfs/dbraw/zinc/38/83/33/630388333.db2.gz KNGVXQUYWXSXBA-CBAPKCEASA-N 1 2 306.150 3.288 20 10 DGCDLO Oc1ccc(Cl)c(F)c1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841085714 630405999 /nfs/dbraw/zinc/40/59/99/630405999.db2.gz BJIFPAYFKQCFMY-FZMZJTMJSA-N 1 2 312.816 3.149 20 10 DGCDLO CCc1nc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)cs1 ZINC000844399159 630724621 /nfs/dbraw/zinc/72/46/21/630724621.db2.gz HPKKXAAQVWXJPB-UHFFFAOYSA-N 1 2 319.474 3.282 20 10 DGCDLO CCc1nc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)cs1 ZINC000844399159 630724623 /nfs/dbraw/zinc/72/46/23/630724623.db2.gz HPKKXAAQVWXJPB-UHFFFAOYSA-N 1 2 319.474 3.282 20 10 DGCDLO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1O ZINC000846206269 631214745 /nfs/dbraw/zinc/21/47/45/631214745.db2.gz OYXNBHSREYCYJM-ABAIWWIYSA-N 1 2 322.836 3.097 20 10 DGCDLO CCC(C)(C)N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000848495251 631669656 /nfs/dbraw/zinc/66/96/56/631669656.db2.gz CTKNGBQNEDLNCT-UHFFFAOYSA-N 1 2 313.445 3.247 20 10 DGCDLO CCc1cccc(C[N@@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)c1O ZINC000848888110 631773389 /nfs/dbraw/zinc/77/33/89/631773389.db2.gz MFWUULZCCXDRKK-GWCFXTLKSA-N 1 2 303.324 3.106 20 10 DGCDLO CCc1cccc(C[N@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)c1O ZINC000848888110 631773394 /nfs/dbraw/zinc/77/33/94/631773394.db2.gz MFWUULZCCXDRKK-GWCFXTLKSA-N 1 2 303.324 3.106 20 10 DGCDLO CCc1cccc(C[NH2+]C2(c3noc(C)n3)CCCC2)c1O ZINC000848895705 631776560 /nfs/dbraw/zinc/77/65/60/631776560.db2.gz WHAHSHYZGAHFQP-UHFFFAOYSA-N 1 2 301.390 3.205 20 10 DGCDLO CC[C@H]([NH2+]C[C@H](OC)[C@H]1CCOC1)c1cccc(Cl)c1O ZINC000850485213 632167007 /nfs/dbraw/zinc/16/70/07/632167007.db2.gz ZAZKYQOSPFDZAO-CQDKDKBSSA-N 1 2 313.825 3.138 20 10 DGCDLO CCn1cc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)nn1 ZINC000850522338 632178186 /nfs/dbraw/zinc/17/81/86/632178186.db2.gz OUOMQJSIRVXWDP-MRVPVSSYSA-N 1 2 315.204 3.161 20 10 DGCDLO CC[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000850527841 632181700 /nfs/dbraw/zinc/18/17/00/632181700.db2.gz CCIPYUOIGDMHHN-IONNQARKSA-N 1 2 322.630 3.230 20 10 DGCDLO COCCn1c2ccccc2[nH+]c1NCc1ccc(N(C)C)cc1 ZINC000185845826 660248371 /nfs/dbraw/zinc/24/83/71/660248371.db2.gz LGBFUBNFANYBMC-UHFFFAOYSA-N 1 2 324.428 3.361 20 10 DGCDLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000707691501 660916701 /nfs/dbraw/zinc/91/67/01/660916701.db2.gz QZUWPTHICNYMIQ-AWEZNQCLSA-N 1 2 314.223 3.156 20 10 DGCDLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(Br)cc1O ZINC000707691501 660916702 /nfs/dbraw/zinc/91/67/02/660916702.db2.gz QZUWPTHICNYMIQ-AWEZNQCLSA-N 1 2 314.223 3.156 20 10 DGCDLO CC(C)OCC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708100910 660918024 /nfs/dbraw/zinc/91/80/24/660918024.db2.gz XCYDBJJGPKEYQP-UHFFFAOYSA-N 1 2 322.630 3.323 20 10 DGCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)[C@H]1CCOC1 ZINC000708133572 660918348 /nfs/dbraw/zinc/91/83/48/660918348.db2.gz MCBOMNFHNGNPBB-JTQLQIEISA-N 1 2 320.614 3.029 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)[C@H]1CCOC1 ZINC000708133572 660918350 /nfs/dbraw/zinc/91/83/50/660918350.db2.gz MCBOMNFHNGNPBB-JTQLQIEISA-N 1 2 320.614 3.029 20 10 DGCDLO CC(C)[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000709000158 660923547 /nfs/dbraw/zinc/92/35/47/660923547.db2.gz KTOWUXXDIRPULP-CQSZACIVSA-N 1 2 314.223 3.012 20 10 DGCDLO CC(C)[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000709000158 660923549 /nfs/dbraw/zinc/92/35/49/660923549.db2.gz KTOWUXXDIRPULP-CQSZACIVSA-N 1 2 314.223 3.012 20 10 DGCDLO COc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c(O)c1 ZINC000793388729 661029288 /nfs/dbraw/zinc/02/92/88/661029288.db2.gz SFJXVBYJIRGYSC-UHFFFAOYSA-N 1 2 311.740 3.189 20 10 DGCDLO CCCC[N@H+](Cc1nnc(OC)s1)Cc1ccccc1O ZINC000930351265 661274212 /nfs/dbraw/zinc/27/42/12/661274212.db2.gz NJEVEXVPIJTOFN-UHFFFAOYSA-N 1 2 307.419 3.055 20 10 DGCDLO CCCC[N@@H+](Cc1nnc(OC)s1)Cc1ccccc1O ZINC000930351265 661274215 /nfs/dbraw/zinc/27/42/15/661274215.db2.gz NJEVEXVPIJTOFN-UHFFFAOYSA-N 1 2 307.419 3.055 20 10 DGCDLO CC(C)(C)c1cnc(SCCC[NH+]2CCOCC2)s1 ZINC000164036297 658913573 /nfs/dbraw/zinc/91/35/73/658913573.db2.gz AJVQFIMQYOAERD-UHFFFAOYSA-N 1 2 300.493 3.255 20 10 DGCDLO CC[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccccc1O ZINC000157132426 658990670 /nfs/dbraw/zinc/99/06/70/658990670.db2.gz BWCUMFJKYXLBMI-MRXNPFEDSA-N 1 2 313.401 3.187 20 10 DGCDLO C[C@@H](c1ccccc1)[N@H+](Cc1nncn1C)Cc1ccccc1O ZINC000179641986 659936089 /nfs/dbraw/zinc/93/60/89/659936089.db2.gz YKYDUVVGCGVGJR-HNNXBMFYSA-N 1 2 322.412 3.284 20 10 DGCDLO C[C@@H](c1ccccc1)[N@@H+](Cc1nncn1C)Cc1ccccc1O ZINC000179641986 659936092 /nfs/dbraw/zinc/93/60/92/659936092.db2.gz YKYDUVVGCGVGJR-HNNXBMFYSA-N 1 2 322.412 3.284 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@H](C)O1 ZINC000245559171 662235991 /nfs/dbraw/zinc/23/59/91/662235991.db2.gz LJWNGPQPPDATNA-MFKMUULPSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@@H](C)O1 ZINC000245559171 662235994 /nfs/dbraw/zinc/23/59/94/662235994.db2.gz LJWNGPQPPDATNA-MFKMUULPSA-N 1 2 314.223 3.154 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCCSC1 ZINC000384174720 685171049 /nfs/dbraw/zinc/17/10/49/685171049.db2.gz VDXOJAOEMFUHRK-JTQLQIEISA-N 1 2 316.264 3.388 20 10 DGCDLO CC[N@H+](CCCCCCc1c[nH]nn1)c1ccc(OC)cc1 ZINC001576521874 1191838028 /nfs/dbraw/zinc/83/80/28/1191838028.db2.gz JFVZDXIAYKJUNK-UHFFFAOYSA-N 1 2 302.422 3.443 20 10 DGCDLO CC[N@@H+](CCCCCCc1c[nH]nn1)c1ccc(OC)cc1 ZINC001576521874 1191838031 /nfs/dbraw/zinc/83/80/31/1191838031.db2.gz JFVZDXIAYKJUNK-UHFFFAOYSA-N 1 2 302.422 3.443 20 10 DGCDLO COC(=O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCCC1 ZINC001661892076 1196659758 /nfs/dbraw/zinc/65/97/58/1196659758.db2.gz SXIDEJDLVYXMQR-UHFFFAOYSA-N 1 2 315.772 3.008 20 10 DGCDLO Nc1ccc(C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC001334774788 1178794791 /nfs/dbraw/zinc/79/47/91/1178794791.db2.gz OCPLWFMMERIERK-KRWDZBQOSA-N 1 2 302.805 3.496 20 10 DGCDLO Nc1ccc(C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC001334774788 1178794797 /nfs/dbraw/zinc/79/47/97/1178794797.db2.gz OCPLWFMMERIERK-KRWDZBQOSA-N 1 2 302.805 3.496 20 10 DGCDLO COC(=O)CCC[N@@H+]1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001460285735 1182672985 /nfs/dbraw/zinc/67/29/85/1182672985.db2.gz OLLRULBVRSEECS-HNNXBMFYSA-N 1 2 305.418 3.283 20 10 DGCDLO COC(=O)CCC[N@H+]1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001460285735 1182672989 /nfs/dbraw/zinc/67/29/89/1182672989.db2.gz OLLRULBVRSEECS-HNNXBMFYSA-N 1 2 305.418 3.283 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCCOCC(F)(F)F ZINC001461161639 1182776645 /nfs/dbraw/zinc/77/66/45/1182776645.db2.gz QRIDYOJOXAYSOP-UHFFFAOYSA-N 1 2 315.694 3.243 20 10 DGCDLO Cc1ccc2[nH]c(C[NH2+]Cc3cc(F)cc(F)c3O)nc2c1 ZINC001461268517 1182790041 /nfs/dbraw/zinc/79/00/41/1182790041.db2.gz YUVQHOHVGYZFDK-UHFFFAOYSA-N 1 2 303.312 3.145 20 10 DGCDLO Cc1ccc2nc(C[NH2+]Cc3cc(F)cc(F)c3O)[nH]c2c1 ZINC001461268517 1182790043 /nfs/dbraw/zinc/79/00/43/1182790043.db2.gz YUVQHOHVGYZFDK-UHFFFAOYSA-N 1 2 303.312 3.145 20 10 DGCDLO Cc1ccccc1N1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC001461875205 1182869342 /nfs/dbraw/zinc/86/93/42/1182869342.db2.gz NZWZLXCTAPTHRP-UHFFFAOYSA-N 1 2 318.367 3.301 20 10 DGCDLO C[N@H+](Cc1nccn1C(F)F)Cc1ccc(Cl)cc1O ZINC001461920965 1182876346 /nfs/dbraw/zinc/87/63/46/1182876346.db2.gz RLCLREUIEKYTLN-UHFFFAOYSA-N 1 2 301.724 3.269 20 10 DGCDLO C[N@@H+](Cc1nccn1C(F)F)Cc1ccc(Cl)cc1O ZINC001461920965 1182876357 /nfs/dbraw/zinc/87/63/57/1182876357.db2.gz RLCLREUIEKYTLN-UHFFFAOYSA-N 1 2 301.724 3.269 20 10 DGCDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001462275497 1182932663 /nfs/dbraw/zinc/93/26/63/1182932663.db2.gz ZDXBZAFOAZLEBY-UHFFFAOYSA-N 1 2 319.788 3.449 20 10 DGCDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001462275497 1182932664 /nfs/dbraw/zinc/93/26/64/1182932664.db2.gz ZDXBZAFOAZLEBY-UHFFFAOYSA-N 1 2 319.788 3.449 20 10 DGCDLO C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCCCC1 ZINC001560284265 1189305141 /nfs/dbraw/zinc/30/51/41/1189305141.db2.gz KUBPYGFJPNQOBM-NSHDSACASA-N 1 2 300.805 3.149 20 10 DGCDLO COc1cccc2[nH]c(NCc3ccc(N(C)C)c(F)c3)[nH+]c21 ZINC001560576466 1189343313 /nfs/dbraw/zinc/34/33/13/1189343313.db2.gz DBCXCQITSUDCOQ-UHFFFAOYSA-N 1 2 314.364 3.389 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1nnc2ccccn21 ZINC001656703540 1196063672 /nfs/dbraw/zinc/06/36/72/1196063672.db2.gz ZLWKEYMVUCERND-SECBINFHSA-N 1 2 320.755 3.078 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)c1 ZINC001657297100 1196128553 /nfs/dbraw/zinc/12/85/53/1196128553.db2.gz KOJGXTVSWXXGBY-AWEZNQCLSA-N 1 2 303.324 3.279 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@H+]2CCO[C@H](C(F)(F)F)C2)c1 ZINC001657297100 1196128557 /nfs/dbraw/zinc/12/85/57/1196128557.db2.gz KOJGXTVSWXXGBY-AWEZNQCLSA-N 1 2 303.324 3.279 20 10 DGCDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001657743827 1196174727 /nfs/dbraw/zinc/17/47/27/1196174727.db2.gz BAQYLZAYKKOQGQ-NSHDSACASA-N 1 2 305.324 3.454 20 10 DGCDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1cc(F)cc(F)c1O ZINC001657743827 1196174731 /nfs/dbraw/zinc/17/47/31/1196174731.db2.gz BAQYLZAYKKOQGQ-NSHDSACASA-N 1 2 305.324 3.454 20 10 DGCDLO COC(=O)[C@H](CC(C)(C)C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC001658417756 1196254636 /nfs/dbraw/zinc/25/46/36/1196254636.db2.gz AQAIODFYMAIPFY-ZDUSSCGKSA-N 1 2 313.825 3.421 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2O)Cc2ccccc2O1 ZINC001659908866 1196427567 /nfs/dbraw/zinc/42/75/67/1196427567.db2.gz BHWIWXDJOYYQPA-NSHDSACASA-N 1 2 305.324 3.454 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)Cc2ccccc2O1 ZINC001659908866 1196427568 /nfs/dbraw/zinc/42/75/68/1196427568.db2.gz BHWIWXDJOYYQPA-NSHDSACASA-N 1 2 305.324 3.454 20 10 DGCDLO COc1cc(C)c(CNc2ccc(N3CCCC3)c[nH+]2)c(O)c1 ZINC001660090615 1196444319 /nfs/dbraw/zinc/44/43/19/1196444319.db2.gz JDXDREJBTFWBFB-UHFFFAOYSA-N 1 2 313.401 3.317 20 10 DGCDLO COc1cc(CC[NH2+]Cc2cccc(Cl)c2O)cc(OC)c1 ZINC001660249614 1196461710 /nfs/dbraw/zinc/46/17/10/1196461710.db2.gz FMZDFAPJIACZSZ-UHFFFAOYSA-N 1 2 321.804 3.395 20 10 DGCDLO CC1(C)OCC[C@@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000693067610 1081904262 /nfs/dbraw/zinc/90/42/62/1081904262.db2.gz XFQVOUSOCPKXLG-LLVKDONJSA-N 1 2 314.223 3.059 20 10 DGCDLO Nc1cc[nH+]c(-c2cc(Nc3cccc(Cl)c3O)ccn2)c1 ZINC001210219529 1081923371 /nfs/dbraw/zinc/92/33/71/1081923371.db2.gz QVXVFQYTSQZZLY-UHFFFAOYSA-N 1 2 312.760 3.250 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222345585 1083630465 /nfs/dbraw/zinc/63/04/65/1083630465.db2.gz LUGFXHVSUORIEK-OAHLLOKOSA-N 1 2 315.244 3.417 20 10 DGCDLO CCc1cc(NCc2ccc(N(C)C)c(F)c2)nc(CC)[nH+]1 ZINC001185089406 1084335771 /nfs/dbraw/zinc/33/57/71/1084335771.db2.gz WTVHFLISNJQLFD-UHFFFAOYSA-N 1 2 302.397 3.419 20 10 DGCDLO COc1cccc2c1C[N@H+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142508817 1087274712 /nfs/dbraw/zinc/27/47/12/1087274712.db2.gz MNUSZJIHVGNKNE-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1cccc2c1C[N@@H+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142508817 1087274717 /nfs/dbraw/zinc/27/47/17/1087274717.db2.gz MNUSZJIHVGNKNE-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cc(F)c(F)cc1O)CCC2 ZINC001142527540 1087278064 /nfs/dbraw/zinc/27/80/64/1087278064.db2.gz YJXAFMUEPNRGGX-UHFFFAOYSA-N 1 2 321.323 3.030 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cc(F)c(F)cc1O)CCC2 ZINC001142527540 1087278070 /nfs/dbraw/zinc/27/80/70/1087278070.db2.gz YJXAFMUEPNRGGX-UHFFFAOYSA-N 1 2 321.323 3.030 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)cc1Cl ZINC001232267105 1087588630 /nfs/dbraw/zinc/58/86/30/1087588630.db2.gz WJGINZJBLOHJAD-UONOGXRCSA-N 1 2 305.752 3.326 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)cc1Cl ZINC001232267105 1087588634 /nfs/dbraw/zinc/58/86/34/1087588634.db2.gz WJGINZJBLOHJAD-UONOGXRCSA-N 1 2 305.752 3.326 20 10 DGCDLO Cc1cccc(CNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)c1O ZINC001160771432 1088951622 /nfs/dbraw/zinc/95/16/22/1088951622.db2.gz VDXZRYMRHYAZNU-CYBMUJFWSA-N 1 2 312.417 3.339 20 10 DGCDLO Cc1cccc(CNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)c1O ZINC001160771432 1088951640 /nfs/dbraw/zinc/95/16/40/1088951640.db2.gz VDXZRYMRHYAZNU-CYBMUJFWSA-N 1 2 312.417 3.339 20 10 DGCDLO COC(=O)/C=C/c1cc(C)c[nH+]c1NCc1cccc(C)c1O ZINC001160769643 1088951738 /nfs/dbraw/zinc/95/17/38/1088951738.db2.gz KCPLKPMRMJOWGL-BQYQJAHWSA-N 1 2 312.369 3.202 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001203664504 1090776336 /nfs/dbraw/zinc/77/63/36/1090776336.db2.gz HYEAQLFYHIZRKK-INIZCTEOSA-N 1 2 304.777 3.014 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001203664504 1090776338 /nfs/dbraw/zinc/77/63/38/1090776338.db2.gz HYEAQLFYHIZRKK-INIZCTEOSA-N 1 2 304.777 3.014 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2ccno2)c(OC)c1 ZINC001138391075 1091166124 /nfs/dbraw/zinc/16/61/24/1091166124.db2.gz BPJPXGNWZFBNQU-UHFFFAOYSA-N 1 2 303.406 3.161 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccno2)c(OC)c1 ZINC001138391075 1091166128 /nfs/dbraw/zinc/16/61/28/1091166128.db2.gz BPJPXGNWZFBNQU-UHFFFAOYSA-N 1 2 303.406 3.161 20 10 DGCDLO COc1cc2c(cc1OC)C[NH+](Cc1c(O)cccc1F)C2 ZINC001137841662 1091225971 /nfs/dbraw/zinc/22/59/71/1091225971.db2.gz ORNYBVZNMWVWLG-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCC[C@H](C)C1 ZINC001139126243 1091456451 /nfs/dbraw/zinc/45/64/51/1091456451.db2.gz CKDPCBOKYUEXDU-LBPRGKRZSA-N 1 2 301.386 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCC[C@H](C)C1 ZINC001139126243 1091456457 /nfs/dbraw/zinc/45/64/57/1091456457.db2.gz CKDPCBOKYUEXDU-LBPRGKRZSA-N 1 2 301.386 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(F)(F)CC1 ZINC001139126581 1091457103 /nfs/dbraw/zinc/45/71/03/1091457103.db2.gz LIAZRUGLXITHNF-UHFFFAOYSA-N 1 2 309.312 3.038 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001139126577 1091457726 /nfs/dbraw/zinc/45/77/26/1091457726.db2.gz LGUQNNQHFJTSOQ-WMLDXEAASA-N 1 2 323.339 3.079 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001139126577 1091457733 /nfs/dbraw/zinc/45/77/33/1091457733.db2.gz LGUQNNQHFJTSOQ-WMLDXEAASA-N 1 2 323.339 3.079 20 10 DGCDLO Cc1cc(C[NH+]2CC(Oc3ccc(F)cc3)C2)ccc1N(C)C ZINC001139673031 1091639196 /nfs/dbraw/zinc/63/91/96/1091639196.db2.gz PCAAUOUZPOSRAX-UHFFFAOYSA-N 1 2 314.404 3.463 20 10 DGCDLO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1cc(F)c(F)cc1O ZINC001206800503 1091745309 /nfs/dbraw/zinc/74/53/09/1091745309.db2.gz KTYMWBSRYNNLJV-LRDDRELGSA-N 1 2 312.404 3.223 20 10 DGCDLO C[N@H+](Cc1ccncc1)Cc1c(O)cccc1Br ZINC001140098975 1091767132 /nfs/dbraw/zinc/76/71/32/1091767132.db2.gz VPVKSPFNKUGGRU-UHFFFAOYSA-N 1 2 307.191 3.182 20 10 DGCDLO C[N@@H+](Cc1ccncc1)Cc1c(O)cccc1Br ZINC001140098975 1091767143 /nfs/dbraw/zinc/76/71/43/1091767143.db2.gz VPVKSPFNKUGGRU-UHFFFAOYSA-N 1 2 307.191 3.182 20 10 DGCDLO C[C@@]1(F)CC[N@H+](Cc2c(O)cccc2Br)C[C@H]1F ZINC001140098604 1091767350 /nfs/dbraw/zinc/76/73/50/1091767350.db2.gz HNOQUSOEDFXYBZ-CHWSQXEVSA-N 1 2 320.177 3.427 20 10 DGCDLO C[C@@]1(F)CC[N@@H+](Cc2c(O)cccc2Br)C[C@H]1F ZINC001140098604 1091767359 /nfs/dbraw/zinc/76/73/59/1091767359.db2.gz HNOQUSOEDFXYBZ-CHWSQXEVSA-N 1 2 320.177 3.427 20 10 DGCDLO COc1cc2c(cc1OC)C[NH+](Cc1cc(F)ccc1O)C2 ZINC001140056123 1091752735 /nfs/dbraw/zinc/75/27/35/1091752735.db2.gz ITXPMJLVPWOYDA-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO Cc1ccc(C)c(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1O ZINC001140184769 1091794734 /nfs/dbraw/zinc/79/47/34/1091794734.db2.gz HKEDRMOUDHDGCL-INIZCTEOSA-N 1 2 324.415 3.314 20 10 DGCDLO Cc1ccc(C)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC001140184993 1091795527 /nfs/dbraw/zinc/79/55/27/1091795527.db2.gz NNRYEVSEIBTESA-UHFFFAOYSA-N 1 2 306.406 3.019 20 10 DGCDLO Cc1ccc(C)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC001140184993 1091795530 /nfs/dbraw/zinc/79/55/30/1091795530.db2.gz NNRYEVSEIBTESA-UHFFFAOYSA-N 1 2 306.406 3.019 20 10 DGCDLO CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464452 1091876354 /nfs/dbraw/zinc/87/63/54/1091876354.db2.gz QMAKGZLSESIYIW-UHFFFAOYSA-N 1 2 324.852 3.126 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001140583291 1091920529 /nfs/dbraw/zinc/92/05/29/1091920529.db2.gz CVUKAFJXYRRLIX-CQSZACIVSA-N 1 2 304.340 3.273 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001140583291 1091920539 /nfs/dbraw/zinc/92/05/39/1091920539.db2.gz CVUKAFJXYRRLIX-CQSZACIVSA-N 1 2 304.340 3.273 20 10 DGCDLO Oc1ccc(O)c(C[NH+](Cc2cccnc2)Cc2cccnc2)c1 ZINC001141158518 1092155596 /nfs/dbraw/zinc/15/55/96/1092155596.db2.gz CHHVRFSBOSVICF-UHFFFAOYSA-N 1 2 321.380 3.090 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222236854 1095502893 /nfs/dbraw/zinc/50/28/93/1095502893.db2.gz BYYMXCVXJFOOHY-OAHLLOKOSA-N 1 2 315.244 3.417 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCCC12CC2 ZINC001144298768 1095590351 /nfs/dbraw/zinc/59/03/51/1095590351.db2.gz IPDJRPWBIXZOLW-UHFFFAOYSA-N 1 2 300.171 3.422 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCCC12CC2 ZINC001144298768 1095590362 /nfs/dbraw/zinc/59/03/62/1095590362.db2.gz IPDJRPWBIXZOLW-UHFFFAOYSA-N 1 2 300.171 3.422 20 10 DGCDLO Cc1nc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)sc1C ZINC001144375587 1095627649 /nfs/dbraw/zinc/62/76/49/1095627649.db2.gz ROWFUBPXORIHMG-UHFFFAOYSA-N 1 2 304.415 3.120 20 10 DGCDLO Cc1nc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)sc1C ZINC001144375587 1095627654 /nfs/dbraw/zinc/62/76/54/1095627654.db2.gz ROWFUBPXORIHMG-UHFFFAOYSA-N 1 2 304.415 3.120 20 10 DGCDLO C[N@@H+]1CCN(Cc2c(O)cccc2F)C[C@H]1c1ccccc1 ZINC001137837713 1095759814 /nfs/dbraw/zinc/75/98/14/1095759814.db2.gz RQCAPKTZZJZDDE-KRWDZBQOSA-N 1 2 300.377 3.020 20 10 DGCDLO C[N@H+]1CCN(Cc2c(O)cccc2F)C[C@H]1c1ccccc1 ZINC001137837713 1095759827 /nfs/dbraw/zinc/75/98/27/1095759827.db2.gz RQCAPKTZZJZDDE-KRWDZBQOSA-N 1 2 300.377 3.020 20 10 DGCDLO C[C@@]1(c2ccc(F)cc2)C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC001138128729 1095897674 /nfs/dbraw/zinc/89/76/74/1095897674.db2.gz WKKYMPQDJGKBMW-SFHVURJKSA-N 1 2 319.351 3.418 20 10 DGCDLO Cc1cccc(C[N@H+]2CC[C@H]2N(C)C(=O)OC(C)(C)C)c1O ZINC001231595072 1097788353 /nfs/dbraw/zinc/78/83/53/1097788353.db2.gz RQCFJVBPVKCNLZ-AWEZNQCLSA-N 1 2 306.406 3.099 20 10 DGCDLO Cc1cccc(C[N@@H+]2CC[C@H]2N(C)C(=O)OC(C)(C)C)c1O ZINC001231595072 1097788358 /nfs/dbraw/zinc/78/83/58/1097788358.db2.gz RQCFJVBPVKCNLZ-AWEZNQCLSA-N 1 2 306.406 3.099 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2csc(C(C)C)n2)c(O)cc1O ZINC001231637597 1097798943 /nfs/dbraw/zinc/79/89/43/1097798943.db2.gz NRCDOHDHWKKVGC-UHFFFAOYSA-N 1 2 322.430 3.318 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2csc(C(C)C)n2)c(O)cc1O ZINC001231637597 1097798945 /nfs/dbraw/zinc/79/89/45/1097798945.db2.gz NRCDOHDHWKKVGC-UHFFFAOYSA-N 1 2 322.430 3.318 20 10 DGCDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)[C@@H]1C ZINC001231912426 1097889464 /nfs/dbraw/zinc/88/94/64/1097889464.db2.gz FTTDYJIMHOHQHB-YPMHNXCESA-N 1 2 311.809 3.209 20 10 DGCDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)[C@@H]1C ZINC001231912426 1097889473 /nfs/dbraw/zinc/88/94/73/1097889473.db2.gz FTTDYJIMHOHQHB-YPMHNXCESA-N 1 2 311.809 3.209 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@@]1(O)C(F)(F)F ZINC001231910674 1097890114 /nfs/dbraw/zinc/89/01/14/1097890114.db2.gz QESBFNGUVAUBAN-ZANVPECISA-N 1 2 323.742 3.181 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@]1(O)C(F)(F)F ZINC001231910674 1097890116 /nfs/dbraw/zinc/89/01/16/1097890116.db2.gz QESBFNGUVAUBAN-ZANVPECISA-N 1 2 323.742 3.181 20 10 DGCDLO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231910147 1097890736 /nfs/dbraw/zinc/89/07/36/1097890736.db2.gz WHSCWBQOLFWVID-AWEZNQCLSA-N 1 2 324.852 3.126 20 10 DGCDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231910147 1097890741 /nfs/dbraw/zinc/89/07/41/1097890741.db2.gz WHSCWBQOLFWVID-AWEZNQCLSA-N 1 2 324.852 3.126 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1Cl ZINC001232267377 1097988185 /nfs/dbraw/zinc/98/81/85/1097988185.db2.gz AXMOPAJMEXGPKN-NSHDSACASA-N 1 2 306.793 3.433 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCn3cccc3[C@@H]2C)cc1Cl ZINC001232267377 1097988191 /nfs/dbraw/zinc/98/81/91/1097988191.db2.gz AXMOPAJMEXGPKN-NSHDSACASA-N 1 2 306.793 3.433 20 10 DGCDLO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)nc1 ZINC001233079945 1098221606 /nfs/dbraw/zinc/22/16/06/1098221606.db2.gz OCRHUSDQURLWBA-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)nc1 ZINC001233079945 1098221610 /nfs/dbraw/zinc/22/16/10/1098221610.db2.gz OCRHUSDQURLWBA-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1cc(Br)cc(C[N@@H+]2CCCC(=O)CC2)c1O ZINC001233108330 1098228595 /nfs/dbraw/zinc/22/85/95/1098228595.db2.gz KZAIWJCYNNSAKM-UHFFFAOYSA-N 1 2 312.207 3.018 20 10 DGCDLO Cc1cc(Br)cc(C[N@H+]2CCCC(=O)CC2)c1O ZINC001233108330 1098228599 /nfs/dbraw/zinc/22/85/99/1098228599.db2.gz KZAIWJCYNNSAKM-UHFFFAOYSA-N 1 2 312.207 3.018 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001233335984 1098291934 /nfs/dbraw/zinc/29/19/34/1098291934.db2.gz TZGHIBWMQQSTSH-CQSZACIVSA-N 1 2 319.351 3.114 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001233335984 1098291942 /nfs/dbraw/zinc/29/19/42/1098291942.db2.gz TZGHIBWMQQSTSH-CQSZACIVSA-N 1 2 319.351 3.114 20 10 DGCDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1c(O)ccc(F)c1F ZINC001233331588 1098292100 /nfs/dbraw/zinc/29/21/00/1098292100.db2.gz CMAPOTXZPKQJGT-UHFFFAOYSA-N 1 2 321.323 3.074 20 10 DGCDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1c(O)ccc(F)c1F ZINC001233331588 1098292106 /nfs/dbraw/zinc/29/21/06/1098292106.db2.gz CMAPOTXZPKQJGT-UHFFFAOYSA-N 1 2 321.323 3.074 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001233336692 1098293612 /nfs/dbraw/zinc/29/36/12/1098293612.db2.gz VVCKFARQEOGICB-OAHLLOKOSA-N 1 2 311.372 3.452 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001233336692 1098293618 /nfs/dbraw/zinc/29/36/18/1098293618.db2.gz VVCKFARQEOGICB-OAHLLOKOSA-N 1 2 311.372 3.452 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)CCC1=O ZINC001233415801 1098322288 /nfs/dbraw/zinc/32/22/88/1098322288.db2.gz ITCJEFUFGWXWAO-SNVBAGLBSA-N 1 2 301.308 3.212 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCC1=O ZINC001233415801 1098322295 /nfs/dbraw/zinc/32/22/95/1098322295.db2.gz ITCJEFUFGWXWAO-SNVBAGLBSA-N 1 2 301.308 3.212 20 10 DGCDLO Oc1c(C[N@@H+]2CCc3ccncc3C2)cccc1C(F)(F)F ZINC001233418348 1098326109 /nfs/dbraw/zinc/32/61/09/1098326109.db2.gz CNJHDLSSLTZQJY-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO Oc1c(C[N@H+]2CCc3ccncc3C2)cccc1C(F)(F)F ZINC001233418348 1098326114 /nfs/dbraw/zinc/32/61/14/1098326114.db2.gz CNJHDLSSLTZQJY-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO CN(C)c1ccnc(Cl)c1C[N@H+](C)Cc1ccccc1O ZINC001234142631 1098504117 /nfs/dbraw/zinc/50/41/17/1098504117.db2.gz KYPWAXYZVWHZMA-UHFFFAOYSA-N 1 2 305.809 3.139 20 10 DGCDLO CN(C)c1ccnc(Cl)c1C[N@@H+](C)Cc1ccccc1O ZINC001234142631 1098504118 /nfs/dbraw/zinc/50/41/18/1098504118.db2.gz KYPWAXYZVWHZMA-UHFFFAOYSA-N 1 2 305.809 3.139 20 10 DGCDLO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](F)C(=O)C3)c2c1 ZINC001234526503 1098582404 /nfs/dbraw/zinc/58/24/04/1098582404.db2.gz WRAOREGYKJUHJE-INIZCTEOSA-N 1 2 317.360 3.057 20 10 DGCDLO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](F)C(=O)C3)c2c1 ZINC001234526503 1098582408 /nfs/dbraw/zinc/58/24/08/1098582408.db2.gz WRAOREGYKJUHJE-INIZCTEOSA-N 1 2 317.360 3.057 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001235066121 1098781380 /nfs/dbraw/zinc/78/13/80/1098781380.db2.gz WBIVEAWXBQVEBT-BKDNQFJXSA-N 1 2 318.161 3.226 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001235066121 1098781392 /nfs/dbraw/zinc/78/13/92/1098781392.db2.gz WBIVEAWXBQVEBT-BKDNQFJXSA-N 1 2 318.161 3.226 20 10 DGCDLO CC(C)(C)c1ccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001235678673 1099121536 /nfs/dbraw/zinc/12/15/36/1099121536.db2.gz KMTDXQXZAIOLDC-CQSZACIVSA-N 1 2 317.351 3.453 20 10 DGCDLO CC(C)(C)c1ccc(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001235678673 1099121542 /nfs/dbraw/zinc/12/15/42/1099121542.db2.gz KMTDXQXZAIOLDC-CQSZACIVSA-N 1 2 317.351 3.453 20 10 DGCDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001180086728 1099308207 /nfs/dbraw/zinc/30/82/07/1099308207.db2.gz LSMOLUPILZYXDX-AWEZNQCLSA-N 1 2 311.809 3.272 20 10 DGCDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001180086728 1099308218 /nfs/dbraw/zinc/30/82/18/1099308218.db2.gz LSMOLUPILZYXDX-AWEZNQCLSA-N 1 2 311.809 3.272 20 10 DGCDLO CN(Cc1cc(Cl)c(Cl)cc1O)[C@H]1CCCC[C@H]1[NH3+] ZINC001236215021 1099472304 /nfs/dbraw/zinc/47/23/04/1099472304.db2.gz GZMPWERFYQSJSR-OLZOCXBDSA-N 1 2 303.233 3.401 20 10 DGCDLO COc1cc(C[N@@H+]2CCC[C@@H]2CF)c(O)cc1Br ZINC001236751282 1099772753 /nfs/dbraw/zinc/77/27/53/1099772753.db2.gz SHZIHBGQQQTMOT-SNVBAGLBSA-N 1 2 318.186 3.097 20 10 DGCDLO COc1cc(C[N@H+]2CCC[C@@H]2CF)c(O)cc1Br ZINC001236751282 1099772759 /nfs/dbraw/zinc/77/27/59/1099772759.db2.gz SHZIHBGQQQTMOT-SNVBAGLBSA-N 1 2 318.186 3.097 20 10 DGCDLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236766484 1099775519 /nfs/dbraw/zinc/77/55/19/1099775519.db2.gz HJQVWDNUXFFPJL-WPRPVWTQSA-N 1 2 318.186 3.040 20 10 DGCDLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001236766484 1099775525 /nfs/dbraw/zinc/77/55/25/1099775525.db2.gz HJQVWDNUXFFPJL-WPRPVWTQSA-N 1 2 318.186 3.040 20 10 DGCDLO COC(=O)C1CC[NH+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236790147 1099785965 /nfs/dbraw/zinc/78/59/65/1099785965.db2.gz LKSFYKKBZHIISH-UHFFFAOYSA-N 1 2 318.200 3.084 20 10 DGCDLO CCc1ccc(C[N@@H+]2CC[C@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001236791313 1099786992 /nfs/dbraw/zinc/78/69/92/1099786992.db2.gz GMTKSPIKIGLRAT-INIZCTEOSA-N 1 2 320.433 3.353 20 10 DGCDLO CCc1ccc(C[N@H+]2CC[C@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001236791313 1099786997 /nfs/dbraw/zinc/78/69/97/1099786997.db2.gz GMTKSPIKIGLRAT-INIZCTEOSA-N 1 2 320.433 3.353 20 10 DGCDLO CCc1ccc(C[N@@H+]2CCCC[C@@H]2c2noc(C)n2)c(O)c1 ZINC001236793786 1099787123 /nfs/dbraw/zinc/78/71/23/1099787123.db2.gz FJJCUEOSDVLRNE-OAHLLOKOSA-N 1 2 301.390 3.373 20 10 DGCDLO CCc1ccc(C[N@H+]2CCCC[C@@H]2c2noc(C)n2)c(O)c1 ZINC001236793786 1099787129 /nfs/dbraw/zinc/78/71/29/1099787129.db2.gz FJJCUEOSDVLRNE-OAHLLOKOSA-N 1 2 301.390 3.373 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCn3cccc3[C@H]2C)c(Cl)c1 ZINC001236802837 1099796911 /nfs/dbraw/zinc/79/69/11/1099796911.db2.gz KVDNUNJRLMDRFJ-LLVKDONJSA-N 1 2 306.793 3.433 20 10 DGCDLO COc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c(O)c1Cl ZINC001236801383 1099796958 /nfs/dbraw/zinc/79/69/58/1099796958.db2.gz IICHUNVCTYOTGF-BXUZGUMPSA-N 1 2 311.809 3.055 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c(O)c1Cl ZINC001236801383 1099796968 /nfs/dbraw/zinc/79/69/68/1099796968.db2.gz IICHUNVCTYOTGF-BXUZGUMPSA-N 1 2 311.809 3.055 20 10 DGCDLO COc1ccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c(O)c1Cl ZINC001236805605 1099799873 /nfs/dbraw/zinc/79/98/73/1099799873.db2.gz BZYNACMGKYYHQP-SNVBAGLBSA-N 1 2 317.813 3.084 20 10 DGCDLO Oc1cc2ccccc2cc1C[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001236833884 1099819880 /nfs/dbraw/zinc/81/98/80/1099819880.db2.gz QTSRKJQLIIHDID-UHFFFAOYSA-N 1 2 305.324 3.155 20 10 DGCDLO Oc1ccc(F)c(Cl)c1CN1CC[NH+](Cc2ccco2)CC1 ZINC001237123277 1099981278 /nfs/dbraw/zinc/98/12/78/1099981278.db2.gz BMRNFCVJOIMGIV-UHFFFAOYSA-N 1 2 324.783 3.096 20 10 DGCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001237127006 1099983970 /nfs/dbraw/zinc/98/39/70/1099983970.db2.gz SAKOZWUIMAEDIB-CYBMUJFWSA-N 1 2 307.756 3.312 20 10 DGCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001237127006 1099983974 /nfs/dbraw/zinc/98/39/74/1099983974.db2.gz SAKOZWUIMAEDIB-CYBMUJFWSA-N 1 2 307.756 3.312 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cnccc1Br)CC2 ZINC001237391871 1100106273 /nfs/dbraw/zinc/10/62/73/1100106273.db2.gz GRTXTXVLQLZPTA-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cnccc1Br)CC2 ZINC001237391871 1100106277 /nfs/dbraw/zinc/10/62/77/1100106277.db2.gz GRTXTXVLQLZPTA-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237799915 1100251222 /nfs/dbraw/zinc/25/12/22/1100251222.db2.gz KBQSDGIIGCBAHO-WBMJQRKESA-N 1 2 313.800 3.433 20 10 DGCDLO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237799915 1100251233 /nfs/dbraw/zinc/25/12/33/1100251233.db2.gz KBQSDGIIGCBAHO-WBMJQRKESA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[NH+]1CCC(n2cccn2)CC1 ZINC001237804625 1100252201 /nfs/dbraw/zinc/25/22/01/1100252201.db2.gz FHSGYBVOILYDPQ-UHFFFAOYSA-N 1 2 309.772 3.218 20 10 DGCDLO CC1(C)C[N@H+](Cc2cc(F)cc(Cl)c2O)[C@@](C)(CO)C1 ZINC001237808169 1100253021 /nfs/dbraw/zinc/25/30/21/1100253021.db2.gz RQZOFVCRKAVFEJ-OAHLLOKOSA-N 1 2 301.789 3.168 20 10 DGCDLO CC1(C)C[N@@H+](Cc2cc(F)cc(Cl)c2O)[C@@](C)(CO)C1 ZINC001237808169 1100253025 /nfs/dbraw/zinc/25/30/25/1100253025.db2.gz RQZOFVCRKAVFEJ-OAHLLOKOSA-N 1 2 301.789 3.168 20 10 DGCDLO CO[C@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]21 ZINC001237815488 1100255559 /nfs/dbraw/zinc/25/55/59/1100255559.db2.gz YVAYRGHGGSWUEC-DGFSRKRXSA-N 1 2 313.800 3.432 20 10 DGCDLO CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)cc(Cl)c3O)C[C@@H]21 ZINC001237815488 1100255568 /nfs/dbraw/zinc/25/55/68/1100255568.db2.gz YVAYRGHGGSWUEC-DGFSRKRXSA-N 1 2 313.800 3.432 20 10 DGCDLO CCCCC[NH+]1CCN(Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237815117 1100256321 /nfs/dbraw/zinc/25/63/21/1100256321.db2.gz VYUHMEDHSVBEGH-UHFFFAOYSA-N 1 2 314.832 3.493 20 10 DGCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001237950601 1100302257 /nfs/dbraw/zinc/30/22/57/1100302257.db2.gz XJBZWVUSTHSJSP-ZDUSSCGKSA-N 1 2 321.726 3.185 20 10 DGCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001237950601 1100302262 /nfs/dbraw/zinc/30/22/62/1100302262.db2.gz XJBZWVUSTHSJSP-ZDUSSCGKSA-N 1 2 321.726 3.185 20 10 DGCDLO C[C@H]1CC[C@H](C[NH3+])N(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC001205804632 1101561723 /nfs/dbraw/zinc/56/17/23/1101561723.db2.gz NZPLBTOGHMRPNN-JOYOIKCWSA-N 1 2 303.233 3.258 20 10 DGCDLO C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC001199743158 1102202627 /nfs/dbraw/zinc/20/26/27/1102202627.db2.gz QTVVBQJUBUVWGY-LBPRGKRZSA-N 1 2 312.404 3.271 20 10 DGCDLO C[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC001199743155 1102203174 /nfs/dbraw/zinc/20/31/74/1102203174.db2.gz QTVVBQJUBUVWGY-GFCCVEGCSA-N 1 2 312.404 3.271 20 10 DGCDLO Cc1cc2c(cccc2-c2cncc(C[NH+]3CCOCC3)c2)n1C ZINC001245249454 1103936238 /nfs/dbraw/zinc/93/62/38/1103936238.db2.gz DKTBFWCXXBNROO-UHFFFAOYSA-N 1 2 321.424 3.381 20 10 DGCDLO CC(=O)N1CC[NH+](Cc2cc(Cl)c(C(C)(C)C)cc2O)CC1 ZINC001248881267 1105185912 /nfs/dbraw/zinc/18/59/12/1105185912.db2.gz VRGHQFJXFDBDMM-UHFFFAOYSA-N 1 2 324.852 3.007 20 10 DGCDLO CC(=O)N(C)C1C[NH+](Cc2cc(Cl)c(C(C)(C)C)cc2O)C1 ZINC001248883991 1105186798 /nfs/dbraw/zinc/18/67/98/1105186798.db2.gz VMEOVXOAVAKZQL-UHFFFAOYSA-N 1 2 324.852 3.006 20 10 DGCDLO Cc1cc(C)nc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001248965878 1105206550 /nfs/dbraw/zinc/20/65/50/1105206550.db2.gz MMFTUOBPRUWOTG-UHFFFAOYSA-N 1 2 310.445 3.326 20 10 DGCDLO Cc1cc(C)nc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001248965878 1105206553 /nfs/dbraw/zinc/20/65/53/1105206553.db2.gz MMFTUOBPRUWOTG-UHFFFAOYSA-N 1 2 310.445 3.326 20 10 DGCDLO COC1(c2ccccc2)C[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001308746880 1111468933 /nfs/dbraw/zinc/46/89/33/1111468933.db2.gz JFDRYCWVRVKTEN-UHFFFAOYSA-N 1 2 303.789 3.403 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2cnc(C)s2)c1O ZINC000079400400 185169167 /nfs/dbraw/zinc/16/91/67/185169167.db2.gz AAQNOASUVQSULO-UHFFFAOYSA-N 1 2 308.378 3.131 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2cnc(C)s2)c1O ZINC000079400400 185169168 /nfs/dbraw/zinc/16/91/68/185169168.db2.gz AAQNOASUVQSULO-UHFFFAOYSA-N 1 2 308.378 3.131 20 10 DGCDLO CCOc1cccc(CNc2ccc(N3CCCC3)[nH+]c2)c1O ZINC000236939600 202083474 /nfs/dbraw/zinc/08/34/74/202083474.db2.gz ANDQGFMNCJEJMV-UHFFFAOYSA-N 1 2 313.401 3.398 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1O ZINC000278479065 296129149 /nfs/dbraw/zinc/12/91/49/296129149.db2.gz OOZFMGWXYZYGDI-YPMHNXCESA-N 1 2 310.388 3.338 20 10 DGCDLO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000093482718 193258933 /nfs/dbraw/zinc/25/89/33/193258933.db2.gz SLONEWKVEHVKPV-BXKDBHETSA-N 1 2 304.217 3.434 20 10 DGCDLO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000093482718 193258935 /nfs/dbraw/zinc/25/89/35/193258935.db2.gz SLONEWKVEHVKPV-BXKDBHETSA-N 1 2 304.217 3.434 20 10 DGCDLO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273379227 296204656 /nfs/dbraw/zinc/20/46/56/296204656.db2.gz HUJWQENDLBJLKT-NWDGAFQWSA-N 1 2 316.357 3.205 20 10 DGCDLO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O)c1nncn1C ZINC000273568649 130138385 /nfs/dbraw/zinc/13/83/85/130138385.db2.gz KDSLJHUWDRDUCR-HTQZYQBOSA-N 1 2 315.204 3.239 20 10 DGCDLO CC(C)OC1CC([NH2+]Cc2cccc(Br)c2O)C1 ZINC000274411921 130232753 /nfs/dbraw/zinc/23/27/53/130232753.db2.gz DSFHFGZUFWOAPN-UHFFFAOYSA-N 1 2 314.223 3.200 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)c1ncn(C)n1 ZINC000275789628 130386088 /nfs/dbraw/zinc/38/60/88/130386088.db2.gz XANCGFKWSWPGCP-GJZGRUSLSA-N 1 2 313.449 3.217 20 10 DGCDLO Cc1cc[nH+]c(C)c1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000287612585 131290133 /nfs/dbraw/zinc/29/01/33/131290133.db2.gz SVLZRYMHROWKRW-UHFFFAOYSA-N 1 2 324.428 3.403 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289220299 131367105 /nfs/dbraw/zinc/36/71/05/131367105.db2.gz CLNQQGHMJJMSLD-CYBMUJFWSA-N 1 2 323.742 3.325 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289220299 131367106 /nfs/dbraw/zinc/36/71/06/131367106.db2.gz CLNQQGHMJJMSLD-CYBMUJFWSA-N 1 2 323.742 3.325 20 10 DGCDLO CN(C)c1ccc(C[N@H+](Cc2nc(C3CC3)no2)C2CC2)cc1 ZINC000298733401 132075800 /nfs/dbraw/zinc/07/58/00/132075800.db2.gz UDJHUSUBQFLRCF-UHFFFAOYSA-N 1 2 312.417 3.178 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](Cc2nc(C3CC3)no2)C2CC2)cc1 ZINC000298733401 132075802 /nfs/dbraw/zinc/07/58/02/132075802.db2.gz UDJHUSUBQFLRCF-UHFFFAOYSA-N 1 2 312.417 3.178 20 10 DGCDLO Cc1nc(C2([NH2+]Cc3ccc4c(c3)CCO4)CCCCC2)no1 ZINC000299669552 132115322 /nfs/dbraw/zinc/11/53/22/132115322.db2.gz ZXTPPDDVIUHONI-UHFFFAOYSA-N 1 2 313.401 3.262 20 10 DGCDLO CC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)c1cccc(Cl)c1O ZINC000287687597 286905542 /nfs/dbraw/zinc/90/55/42/286905542.db2.gz MYPZPNFQZKPCAP-SMDDNHRTSA-N 1 2 312.841 3.391 20 10 DGCDLO CC[C@@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1O ZINC000287314467 286926163 /nfs/dbraw/zinc/92/61/63/286926163.db2.gz DAZQVOGYGKCYFH-ZIAGYGMSSA-N 1 2 310.825 3.096 20 10 DGCDLO CC[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(F)cc1O ZINC000287486634 288051219 /nfs/dbraw/zinc/05/12/19/288051219.db2.gz NBKBDMARTBAQAM-ZDUSSCGKSA-N 1 2 306.385 3.119 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)CC[S@@](C)=O)c1cccc(Cl)c1O ZINC000287667150 288058767 /nfs/dbraw/zinc/05/87/67/288058767.db2.gz LZPSPIFARNIJHB-WSHAHDTKSA-N 1 2 303.855 3.243 20 10 DGCDLO Cc1cc(Br)cc(C[N@H+](C)Cc2ccon2)c1O ZINC000271817258 432427201 /nfs/dbraw/zinc/42/72/01/432427201.db2.gz MUZUOQOKOIFSOD-UHFFFAOYSA-N 1 2 311.179 3.083 20 10 DGCDLO Cc1cc(Br)cc(C[N@@H+](C)Cc2ccon2)c1O ZINC000271817258 432427203 /nfs/dbraw/zinc/42/72/03/432427203.db2.gz MUZUOQOKOIFSOD-UHFFFAOYSA-N 1 2 311.179 3.083 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCOC3(CCC3)C2)c1O ZINC000154364745 432495247 /nfs/dbraw/zinc/49/52/47/432495247.db2.gz XBRAJYRPNDKULK-UHFFFAOYSA-N 1 2 309.793 3.003 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCOC3(CCC3)C2)c1O ZINC000154364745 432495250 /nfs/dbraw/zinc/49/52/50/432495250.db2.gz XBRAJYRPNDKULK-UHFFFAOYSA-N 1 2 309.793 3.003 20 10 DGCDLO COCC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000273409200 432595002 /nfs/dbraw/zinc/59/50/02/432595002.db2.gz HMLVJEMAQVGPDV-RISCZKNCSA-N 1 2 320.345 3.322 20 10 DGCDLO CN(C)[C@@H](C[NH2+]Cc1cccc(Cl)c1O)c1cccs1 ZINC000159730625 432694492 /nfs/dbraw/zinc/69/44/92/432694492.db2.gz MDYMCBGSKMZUNK-ZDUSSCGKSA-N 1 2 310.850 3.500 20 10 DGCDLO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187754925 432683349 /nfs/dbraw/zinc/68/33/49/432683349.db2.gz DDANUTCSZLZXBW-SKDRFNHKSA-N 1 2 322.359 3.010 20 10 DGCDLO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187798255 432686496 /nfs/dbraw/zinc/68/64/96/432686496.db2.gz HFQZIYWHHRVICV-ABAIWWIYSA-N 1 2 307.340 3.363 20 10 DGCDLO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1O ZINC000276901129 432826738 /nfs/dbraw/zinc/82/67/38/432826738.db2.gz JBMBRIBERQDIAX-YMTOWFKASA-N 1 2 311.303 3.194 20 10 DGCDLO C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(F)c(F)c1O ZINC000276904112 432827232 /nfs/dbraw/zinc/82/72/32/432827232.db2.gz JMNAULHAZZTKPP-GXTWGEPZSA-N 1 2 321.367 3.315 20 10 DGCDLO COC1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000278349670 432891508 /nfs/dbraw/zinc/89/15/08/432891508.db2.gz ILYCLIIQAKDDFV-UHFFFAOYSA-N 1 2 314.223 3.202 20 10 DGCDLO CC(C)(C)c1nnc(C[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000268219443 432857056 /nfs/dbraw/zinc/85/70/56/432857056.db2.gz QVPCJEJWMRERKX-UHFFFAOYSA-N 1 2 311.838 3.484 20 10 DGCDLO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1ccc(N(C)C)cc1 ZINC000296584776 432922956 /nfs/dbraw/zinc/92/29/56/432922956.db2.gz UPZQEZGNQPVYKB-NSHDSACASA-N 1 2 324.350 3.412 20 10 DGCDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(C)c2O)n1 ZINC000289717686 432973357 /nfs/dbraw/zinc/97/33/57/432973357.db2.gz GYVOYGUGEGBEMV-ZDUSSCGKSA-N 1 2 307.781 3.383 20 10 DGCDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(C)c2O)n1 ZINC000289717686 432973361 /nfs/dbraw/zinc/97/33/61/432973361.db2.gz GYVOYGUGEGBEMV-ZDUSSCGKSA-N 1 2 307.781 3.383 20 10 DGCDLO COCc1nc(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)cs1 ZINC000289911012 432978799 /nfs/dbraw/zinc/97/87/99/432978799.db2.gz UJAPVNRXZLDMLD-MRVPVSSYSA-N 1 2 314.357 3.124 20 10 DGCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000290214348 433013963 /nfs/dbraw/zinc/01/39/63/433013963.db2.gz QEKMQCDAIICULP-STQMWFEESA-N 1 2 318.421 3.084 20 10 DGCDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1Cc1ccccc1O ZINC000290458356 433056547 /nfs/dbraw/zinc/05/65/47/433056547.db2.gz MXESQPKIABMPCL-ZDUSSCGKSA-N 1 2 312.417 3.218 20 10 DGCDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1Cc1ccccc1O ZINC000290458356 433056555 /nfs/dbraw/zinc/05/65/55/433056555.db2.gz MXESQPKIABMPCL-ZDUSSCGKSA-N 1 2 312.417 3.218 20 10 DGCDLO Cc1cc(O)c(CNc2ccc(-c3cncnc3)c[nH+]2)cc1C ZINC000373960254 433169307 /nfs/dbraw/zinc/16/93/07/433169307.db2.gz ZOGKSCZLYQIVKY-UHFFFAOYSA-N 1 2 306.369 3.473 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291203731 433228461 /nfs/dbraw/zinc/22/84/61/433228461.db2.gz HVHIOEBIUVTPQX-GFCCVEGCSA-N 1 2 312.200 3.343 20 10 DGCDLO Cc1noc(C2(C)CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC000374738760 433267698 /nfs/dbraw/zinc/26/76/98/433267698.db2.gz WIQALUTZAVAIHY-UHFFFAOYSA-N 1 2 321.808 3.291 20 10 DGCDLO C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1O ZINC000282552670 433614020 /nfs/dbraw/zinc/61/40/20/433614020.db2.gz XIZHIDGLKOVDGZ-ZANVPECISA-N 1 2 307.344 3.132 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000367047489 434535264 /nfs/dbraw/zinc/53/52/64/434535264.db2.gz JWDIECWFONOARZ-AWEZNQCLSA-N 1 2 302.201 3.454 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000367047489 434535268 /nfs/dbraw/zinc/53/52/68/434535268.db2.gz JWDIECWFONOARZ-AWEZNQCLSA-N 1 2 302.201 3.454 20 10 DGCDLO COc1ccc(O)c(C[N@@H+]2CCSC[C@H]2c2nccs2)c1 ZINC000186639635 295166095 /nfs/dbraw/zinc/16/60/95/295166095.db2.gz AREZOJDVTZKRLU-ZDUSSCGKSA-N 1 2 322.455 3.147 20 10 DGCDLO COc1ccc(O)c(C[N@H+]2CCSC[C@H]2c2nccs2)c1 ZINC000186639635 295166096 /nfs/dbraw/zinc/16/60/96/295166096.db2.gz AREZOJDVTZKRLU-ZDUSSCGKSA-N 1 2 322.455 3.147 20 10 DGCDLO CCC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)C(=O)OCC ZINC000481569131 435432657 /nfs/dbraw/zinc/43/26/57/435432657.db2.gz DCJMOUHKCUUBBL-OAHLLOKOSA-N 1 2 302.418 3.308 20 10 DGCDLO CC(C)C[C@@H](CCO)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001474021053 1183851135 /nfs/dbraw/zinc/85/11/35/1183851135.db2.gz JMVXURDWJLWAPW-LLVKDONJSA-N 1 2 303.805 3.319 20 10 DGCDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cccc(Cl)c1O ZINC000180503286 523277334 /nfs/dbraw/zinc/27/73/34/523277334.db2.gz DNMSKUYSJSQCEE-NRFANRHFSA-N 1 2 323.845 3.415 20 10 DGCDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1cccc(Cl)c1O ZINC000180503286 523277349 /nfs/dbraw/zinc/27/73/49/523277349.db2.gz DNMSKUYSJSQCEE-NRFANRHFSA-N 1 2 323.845 3.415 20 10 DGCDLO COc1ccc(C[NH2+]Cc2csc([C@@H](C)OC)n2)cc1C ZINC000267638623 524073275 /nfs/dbraw/zinc/07/32/75/524073275.db2.gz QDEJAMJCKNSXQB-GFCCVEGCSA-N 1 2 306.431 3.457 20 10 DGCDLO Cc1cccc(C[C@H](CO)[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000191683817 524469060 /nfs/dbraw/zinc/46/90/60/524469060.db2.gz OLYXUPPLRAWTGK-OAHLLOKOSA-N 1 2 305.805 3.047 20 10 DGCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000191120610 527371351 /nfs/dbraw/zinc/37/13/51/527371351.db2.gz BDXVXUHADWDXGE-AWEZNQCLSA-N 1 2 318.304 3.053 20 10 DGCDLO CC[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1cccc(Cl)c1O ZINC000286866573 535808119 /nfs/dbraw/zinc/80/81/19/535808119.db2.gz BLZWRRRPOOJURA-ZIAGYGMSSA-N 1 2 322.836 3.288 20 10 DGCDLO CC[C@H]([NH2+]Cc1nncn1C)c1cc(Cl)cc(Cl)c1O ZINC000287285990 535923188 /nfs/dbraw/zinc/92/31/88/535923188.db2.gz BTEHWCJTONNGJJ-NSHDSACASA-N 1 2 315.204 3.068 20 10 DGCDLO COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1 ZINC000273610909 536877810 /nfs/dbraw/zinc/87/78/10/536877810.db2.gz VTVFBHRIDKKGAY-FZMZJTMJSA-N 1 2 320.345 3.240 20 10 DGCDLO CN(C)c1ccc2cc(NC(=O)C3=CC(=O)CS3)ccc2[nH+]1 ZINC000732277884 574570132 /nfs/dbraw/zinc/57/01/32/574570132.db2.gz VFTNPENYHOQVRF-UHFFFAOYSA-N 1 2 313.382 3.320 20 10 DGCDLO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cccc(Br)c1O ZINC000743499199 575054909 /nfs/dbraw/zinc/05/49/09/575054909.db2.gz JJMGGZFPIOEQIX-ZYHUDNBSSA-N 1 2 316.239 3.041 20 10 DGCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000729685995 575260409 /nfs/dbraw/zinc/26/04/09/575260409.db2.gz ZLXMBNQCLLVDDZ-UHFFFAOYSA-N 1 2 302.305 3.218 20 10 DGCDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)o1 ZINC000725847310 575929267 /nfs/dbraw/zinc/92/92/67/575929267.db2.gz ZQHVJGXOARJMGG-YGRLFVJLSA-N 1 2 302.330 3.307 20 10 DGCDLO COC(=O)Cc1cc[nH+]c(N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000853484888 620700359 /nfs/dbraw/zinc/70/03/59/620700359.db2.gz WXRJMHJSLZHTIF-ZDUSSCGKSA-N 1 2 313.401 3.036 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCCSCC1 ZINC000894422601 618327171 /nfs/dbraw/zinc/32/71/71/618327171.db2.gz JXMVFDQLHDMGFW-UHFFFAOYSA-N 1 2 320.227 3.233 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCCSCC1 ZINC000894422601 618327179 /nfs/dbraw/zinc/32/71/79/618327179.db2.gz JXMVFDQLHDMGFW-UHFFFAOYSA-N 1 2 320.227 3.233 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000894793797 618462069 /nfs/dbraw/zinc/46/20/69/618462069.db2.gz IWQQSMGBEFODSE-HOCLYGCPSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000894793797 618462072 /nfs/dbraw/zinc/46/20/72/618462072.db2.gz IWQQSMGBEFODSE-HOCLYGCPSA-N 1 2 309.356 3.204 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)cc1F ZINC000895068351 618525638 /nfs/dbraw/zinc/52/56/38/618525638.db2.gz VJWFVWALHAHFIV-UHFFFAOYSA-N 1 2 314.408 3.052 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCc3nc[nH]c3C23CCC3)cc1F ZINC000895068351 618525641 /nfs/dbraw/zinc/52/56/41/618525641.db2.gz VJWFVWALHAHFIV-UHFFFAOYSA-N 1 2 314.408 3.052 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)C[C@H](C)[S@@]1=O ZINC000840948267 618620766 /nfs/dbraw/zinc/62/07/66/618620766.db2.gz NKFWKVFMQUHATD-ZBUHCNDUSA-N 1 2 315.866 3.085 20 10 DGCDLO Oc1c(C[NH2+]Cc2nccc3c2CCCC3)ccc(F)c1F ZINC000896280839 618896355 /nfs/dbraw/zinc/89/63/55/618896355.db2.gz LXMPIERWAYYDPK-UHFFFAOYSA-N 1 2 304.340 3.234 20 10 DGCDLO OC[C@H](CCc1ccccc1)[NH2+]Cc1cccc(Cl)c1O ZINC000896524945 618925028 /nfs/dbraw/zinc/92/50/28/618925028.db2.gz ZTWDNODMZLXZDQ-HNNXBMFYSA-N 1 2 305.805 3.129 20 10 DGCDLO Oc1cccc(F)c1C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000896638979 618940018 /nfs/dbraw/zinc/94/00/18/618940018.db2.gz SGVOWSRELBBUKZ-UHFFFAOYSA-N 1 2 306.284 3.296 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000897083340 619012283 /nfs/dbraw/zinc/01/22/83/619012283.db2.gz XVYSDTXSIOIHAR-NHYWBVRUSA-N 1 2 313.800 3.480 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897271254 619040430 /nfs/dbraw/zinc/04/04/30/619040430.db2.gz JOQWLNLYSPCUDV-CYBMUJFWSA-N 1 2 311.372 3.309 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897271254 619040432 /nfs/dbraw/zinc/04/04/32/619040432.db2.gz JOQWLNLYSPCUDV-CYBMUJFWSA-N 1 2 311.372 3.309 20 10 DGCDLO CCc1[nH]c(C[NH2+]Cc2cccc(Cl)c2O)cc1C(=O)OC ZINC000898214720 619222170 /nfs/dbraw/zinc/22/21/70/619222170.db2.gz GMBKEAJRINRXRN-UHFFFAOYSA-N 1 2 322.792 3.013 20 10 DGCDLO COc1c(C)cnc(C[NH2+]Cc2cccc(Cl)c2O)c1C ZINC000898215329 619222271 /nfs/dbraw/zinc/22/22/71/619222271.db2.gz LNBCTPNEKTZPCS-UHFFFAOYSA-N 1 2 306.793 3.356 20 10 DGCDLO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]1C ZINC000898218804 619222784 /nfs/dbraw/zinc/22/27/84/619222784.db2.gz PRPQGFOJXJCGQH-UHIISALHSA-N 1 2 311.809 3.113 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000922520844 621049833 /nfs/dbraw/zinc/04/98/33/621049833.db2.gz FTHCCNVIDWBIQF-DZGCQCFKSA-N 1 2 309.287 3.232 20 10 DGCDLO CC[N@H+](CCCCCS(=O)(=O)CC)c1ccc(OC)cc1 ZINC000789340695 625463765 /nfs/dbraw/zinc/46/37/65/625463765.db2.gz COFHKTPNJFIUNB-UHFFFAOYSA-N 1 2 313.463 3.127 20 10 DGCDLO CC[N@@H+](CCCCCS(=O)(=O)CC)c1ccc(OC)cc1 ZINC000789340695 625463769 /nfs/dbraw/zinc/46/37/69/625463769.db2.gz COFHKTPNJFIUNB-UHFFFAOYSA-N 1 2 313.463 3.127 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc(F)cc(F)c1O ZINC000858453940 621193480 /nfs/dbraw/zinc/19/34/80/621193480.db2.gz QXVATFBFFCOZAG-NHYWBVRUSA-N 1 2 319.351 3.463 20 10 DGCDLO C[C@H]([NH2+]Cc1ccn(C)n1)c1cc(Cl)c(Cl)cc1O ZINC000774264801 621199305 /nfs/dbraw/zinc/19/93/05/621199305.db2.gz BUNILVWKRDGFJA-QMMMGPOBSA-N 1 2 300.189 3.283 20 10 DGCDLO COC(=O)[C@@H](CC1CCCCC1)[NH2+]Cc1cccc(C)c1O ZINC000756147148 621618785 /nfs/dbraw/zinc/61/87/85/621618785.db2.gz NKPWUVCMGGZZMG-MRXNPFEDSA-N 1 2 305.418 3.302 20 10 DGCDLO CC(C)[NH+](CCN[C@@H](C)c1cc(F)cc(F)c1O)C(C)C ZINC000756369673 621632330 /nfs/dbraw/zinc/63/23/30/621632330.db2.gz CRZZVZMKGRFYBL-LBPRGKRZSA-N 1 2 300.393 3.440 20 10 DGCDLO C[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000756448631 621639119 /nfs/dbraw/zinc/63/91/19/621639119.db2.gz DMDGHRNDIADNOR-CYBMUJFWSA-N 1 2 320.383 3.453 20 10 DGCDLO C[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(F)cc(F)c1O ZINC000756479421 621640872 /nfs/dbraw/zinc/64/08/72/621640872.db2.gz MWKCVBJKUHADHM-GFCCVEGCSA-N 1 2 318.367 3.337 20 10 DGCDLO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1cc(F)cc(F)c1O ZINC000756481942 621641127 /nfs/dbraw/zinc/64/11/27/621641127.db2.gz HBHIVBYAWCPNOH-LLVKDONJSA-N 1 2 317.339 3.371 20 10 DGCDLO CO[C@H](C)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756525387 621644864 /nfs/dbraw/zinc/64/48/64/621644864.db2.gz BMDMUQLHOXXHDF-BDAKNGLRSA-N 1 2 320.202 3.369 20 10 DGCDLO CO[C@H](C)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756525394 621644892 /nfs/dbraw/zinc/64/48/92/621644892.db2.gz BMDMUQLHOXXHDF-RKDXNWHRSA-N 1 2 320.202 3.369 20 10 DGCDLO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1O ZINC000756536934 621646083 /nfs/dbraw/zinc/64/60/83/621646083.db2.gz XINVFMYAPQVYJR-JTQLQIEISA-N 1 2 322.311 3.472 20 10 DGCDLO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756563013 621649218 /nfs/dbraw/zinc/64/92/18/621649218.db2.gz KXGMJTGNTKLQFY-QFYYESIMSA-N 1 2 323.339 3.063 20 10 DGCDLO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756762750 621662765 /nfs/dbraw/zinc/66/27/65/621662765.db2.gz RAHWXZPBWGQJSC-BZNIZROVSA-N 1 2 307.340 3.363 20 10 DGCDLO C[C@@H]([NH2+]Cc1cocn1)c1cc(Br)cc(F)c1O ZINC000756831846 621667134 /nfs/dbraw/zinc/66/71/34/621667134.db2.gz PDEZEBCWGJNXLV-SSDOTTSWSA-N 1 2 315.142 3.133 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1cccc(Cl)c1O ZINC000866463948 622122442 /nfs/dbraw/zinc/12/24/42/622122442.db2.gz REZLSYOKJFSGQM-INNHCVQGSA-N 1 2 311.731 3.398 20 10 DGCDLO CC[N@@H+](Cc1cccc(Br)c1O)C[C@@H]1CCOC1 ZINC000768521448 622461367 /nfs/dbraw/zinc/46/13/67/622461367.db2.gz QRMZTGLFZZRFKC-NSHDSACASA-N 1 2 314.223 3.013 20 10 DGCDLO CC[N@H+](Cc1cccc(Br)c1O)C[C@@H]1CCOC1 ZINC000768521448 622461370 /nfs/dbraw/zinc/46/13/70/622461370.db2.gz QRMZTGLFZZRFKC-NSHDSACASA-N 1 2 314.223 3.013 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nnc3ccccn32)cc1 ZINC000769204892 622507760 /nfs/dbraw/zinc/50/77/60/622507760.db2.gz VVRHXIGRMTYCKT-UHFFFAOYSA-N 1 2 323.444 3.208 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nnc3ccccn32)cc1 ZINC000769204892 622507764 /nfs/dbraw/zinc/50/77/64/622507764.db2.gz VVRHXIGRMTYCKT-UHFFFAOYSA-N 1 2 323.444 3.208 20 10 DGCDLO Cc1nonc1C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000872135001 622827355 /nfs/dbraw/zinc/82/73/55/622827355.db2.gz BQZRFZKVQWMRAW-ZCFIWIBFSA-N 1 2 302.161 3.241 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872257783 622869814 /nfs/dbraw/zinc/86/98/14/622869814.db2.gz WXOVGWOQNZNZFF-NSHDSACASA-N 1 2 309.715 3.041 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872257783 622869816 /nfs/dbraw/zinc/86/98/16/622869816.db2.gz WXOVGWOQNZNZFF-NSHDSACASA-N 1 2 309.715 3.041 20 10 DGCDLO CCN(C)c1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000773829333 623076247 /nfs/dbraw/zinc/07/62/47/623076247.db2.gz BFPDISWPJZSDTH-KRWDZBQOSA-N 1 2 320.383 3.244 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2CN1)c1cc(F)cc(F)c1O ZINC000873294270 623106614 /nfs/dbraw/zinc/10/66/14/623106614.db2.gz RKNXCPCNVQIDGD-NHYWBVRUSA-N 1 2 318.367 3.036 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000775697486 623316105 /nfs/dbraw/zinc/31/61/05/623316105.db2.gz FAEYHYNAJLGZJY-UHFFFAOYSA-N 1 2 309.772 3.287 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000775740315 623322427 /nfs/dbraw/zinc/32/24/27/623322427.db2.gz UOZUCRCNKUMEIE-NWDGAFQWSA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000775740315 623322433 /nfs/dbraw/zinc/32/24/33/623322433.db2.gz UOZUCRCNKUMEIE-NWDGAFQWSA-N 1 2 313.800 3.433 20 10 DGCDLO COCCOc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000775983295 623360377 /nfs/dbraw/zinc/36/03/77/623360377.db2.gz COMQOJDVBKAADD-UHFFFAOYSA-N 1 2 321.804 3.361 20 10 DGCDLO CC(C)CC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776209559 623397082 /nfs/dbraw/zinc/39/70/82/623397082.db2.gz ZQIVNCOIFFIZRE-HNNXBMFYSA-N 1 2 303.805 3.462 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CCOCC1 ZINC000776231907 623400387 /nfs/dbraw/zinc/40/03/87/623400387.db2.gz KPAQICLTCKFCBY-CQSZACIVSA-N 1 2 301.789 3.480 20 10 DGCDLO O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2O)CCN1C1CCCCC1 ZINC000776253896 623401635 /nfs/dbraw/zinc/40/16/35/623401635.db2.gz WQAJNRTYKKHOFN-HNNXBMFYSA-N 1 2 322.836 3.069 20 10 DGCDLO Cc1cccc(NCC[NH2+]Cc2cc(Cl)cc(F)c2O)n1 ZINC000777483260 623531026 /nfs/dbraw/zinc/53/10/26/623531026.db2.gz KLYFRXJUIIOJKP-UHFFFAOYSA-N 1 2 309.772 3.090 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2O)cc1F ZINC000876546489 623639740 /nfs/dbraw/zinc/63/97/40/623639740.db2.gz KZFSTUNEYJUHSY-UHFFFAOYSA-N 1 2 311.303 3.450 20 10 DGCDLO Oc1c(F)c(F)ccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000876807426 623710641 /nfs/dbraw/zinc/71/06/41/623710641.db2.gz DHOHSNVILXEOQE-GXTWGEPZSA-N 1 2 323.339 3.352 20 10 DGCDLO Oc1c(F)c(F)ccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000876807426 623710646 /nfs/dbraw/zinc/71/06/46/623710646.db2.gz DHOHSNVILXEOQE-GXTWGEPZSA-N 1 2 323.339 3.352 20 10 DGCDLO Cc1ccc(CNc2ccccc2C[NH+]2CCOCC2)c(O)c1 ZINC000876848853 623727088 /nfs/dbraw/zinc/72/70/88/623727088.db2.gz MWOJFTOKRMLFQC-UHFFFAOYSA-N 1 2 312.413 3.145 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H]1CCCC[C@@H]1O ZINC000779154987 623735026 /nfs/dbraw/zinc/73/50/26/623735026.db2.gz XVRDFQAPQLYSJS-HZMBPMFUSA-N 1 2 301.789 3.168 20 10 DGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H]1CCCC[C@@H]1O ZINC000779154987 623735031 /nfs/dbraw/zinc/73/50/31/623735031.db2.gz XVRDFQAPQLYSJS-HZMBPMFUSA-N 1 2 301.789 3.168 20 10 DGCDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877532693 623928842 /nfs/dbraw/zinc/92/88/42/623928842.db2.gz WQBSHHJPTAZRIU-ZDUSSCGKSA-N 1 2 307.344 3.347 20 10 DGCDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877532693 623928845 /nfs/dbraw/zinc/92/88/45/623928845.db2.gz WQBSHHJPTAZRIU-ZDUSSCGKSA-N 1 2 307.344 3.347 20 10 DGCDLO Oc1c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc(F)c1F ZINC000877541521 623934074 /nfs/dbraw/zinc/93/40/74/623934074.db2.gz PKAGPYXRTBZAFF-BBRMVZONSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1c(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc(F)c1F ZINC000877541521 623934078 /nfs/dbraw/zinc/93/40/78/623934078.db2.gz PKAGPYXRTBZAFF-BBRMVZONSA-N 1 2 309.356 3.204 20 10 DGCDLO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cccc(Cl)c1O ZINC000877697615 623995363 /nfs/dbraw/zinc/99/53/63/623995363.db2.gz PEPITCGZVVYZON-KRWDZBQOSA-N 1 2 323.795 3.268 20 10 DGCDLO Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)c(N(C)C)[nH+]1 ZINC000879001909 624405897 /nfs/dbraw/zinc/40/58/97/624405897.db2.gz MLXLNVUMTHWSOO-LBPRGKRZSA-N 1 2 314.389 3.044 20 10 DGCDLO CC[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cccc(Cl)c1O ZINC000806149441 624411480 /nfs/dbraw/zinc/41/14/80/624411480.db2.gz SNCXOXWMWMEBDA-LDYMZIIASA-N 1 2 311.731 3.400 20 10 DGCDLO CC[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cccc(Cl)c1O ZINC000806150259 624911602 /nfs/dbraw/zinc/91/16/02/624911602.db2.gz OMHJJJYEJCHRBC-AWEZNQCLSA-N 1 2 320.824 3.143 20 10 DGCDLO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000786578829 624925020 /nfs/dbraw/zinc/92/50/20/624925020.db2.gz JHSUWIDLAOYBNZ-OAHLLOKOSA-N 1 2 323.795 3.186 20 10 DGCDLO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000786578825 624925172 /nfs/dbraw/zinc/92/51/72/624925172.db2.gz JHSUWIDLAOYBNZ-HNNXBMFYSA-N 1 2 323.795 3.186 20 10 DGCDLO [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000790962283 625723142 /nfs/dbraw/zinc/72/31/42/625723142.db2.gz KIDDJWPRNUMBTO-UHFFFAOYSA-N 1 2 312.816 3.291 20 10 DGCDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C1=CC(=O)CS1 ZINC000791380817 625787869 /nfs/dbraw/zinc/78/78/69/625787869.db2.gz CHWMNMZKOFBLRB-UHFFFAOYSA-N 1 2 314.366 3.305 20 10 DGCDLO CCOC(=O)C1(C[NH2+]Cc2cccc(Cl)c2O)CCCC1 ZINC000792195397 625923774 /nfs/dbraw/zinc/92/37/74/625923774.db2.gz MCHWHZJGGAQSRJ-UHFFFAOYSA-N 1 2 311.809 3.259 20 10 DGCDLO C[NH+](C)C1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000132200070 626705717 /nfs/dbraw/zinc/70/57/17/626705717.db2.gz UPPFZLDQXVCYHW-UHFFFAOYSA-N 1 2 303.233 3.225 20 10 DGCDLO Cn1ccnc1[C@H]1[N@H+](Cc2cc3c(cc2O)CCC3)CC1(C)C ZINC000840106781 626764204 /nfs/dbraw/zinc/76/42/04/626764204.db2.gz HOGAKQGQLKTSKL-QGZVFWFLSA-N 1 2 311.429 3.198 20 10 DGCDLO Cn1ccnc1[C@H]1[N@@H+](Cc2cc3c(cc2O)CCC3)CC1(C)C ZINC000840106781 626764206 /nfs/dbraw/zinc/76/42/06/626764206.db2.gz HOGAKQGQLKTSKL-QGZVFWFLSA-N 1 2 311.429 3.198 20 10 DGCDLO CC[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H](C)C1 ZINC000809697651 626938288 /nfs/dbraw/zinc/93/82/88/626938288.db2.gz LADAWIUJVBYPIS-JTQLQIEISA-N 1 2 303.233 3.225 20 10 DGCDLO CC[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H](C)C1 ZINC000809697651 626938289 /nfs/dbraw/zinc/93/82/89/626938289.db2.gz LADAWIUJVBYPIS-JTQLQIEISA-N 1 2 303.233 3.225 20 10 DGCDLO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809728621 626942736 /nfs/dbraw/zinc/94/27/36/626942736.db2.gz DBFMMZFBNGNKEA-ZDUSSCGKSA-N 1 2 322.767 3.453 20 10 DGCDLO COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000809733442 626942904 /nfs/dbraw/zinc/94/29/04/626942904.db2.gz WRFAJCWCRLLWEX-UHFFFAOYSA-N 1 2 323.751 3.261 20 10 DGCDLO CCCN(CCC)c1ccc(C[NH2+]Cc2nonc2C)cc1 ZINC000809744793 626945413 /nfs/dbraw/zinc/94/54/13/626945413.db2.gz DDLIUSXQGSONJX-UHFFFAOYSA-N 1 2 302.422 3.294 20 10 DGCDLO C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(N(C)C)cc1 ZINC000810229073 626990104 /nfs/dbraw/zinc/99/01/04/626990104.db2.gz RJBPJYOBQGPMTD-CYBMUJFWSA-N 1 2 323.400 3.283 20 10 DGCDLO CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000810245060 626991740 /nfs/dbraw/zinc/99/17/40/626991740.db2.gz PAXWTPNVXVMLJS-VXGBXAGGSA-N 1 2 300.393 3.441 20 10 DGCDLO CC[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1cccc(Cl)c1O ZINC000886670387 627185672 /nfs/dbraw/zinc/18/56/72/627185672.db2.gz NWTLAAHDIXNGIK-JMSVASOKSA-N 1 2 313.825 3.016 20 10 DGCDLO Cc1ccc(O)c(C[N@@H+]2Cc3cnn(-c4ccccc4)c3C2)c1 ZINC000816668663 627823696 /nfs/dbraw/zinc/82/36/96/627823696.db2.gz UQYXRRKGGJXMPC-UHFFFAOYSA-N 1 2 305.381 3.402 20 10 DGCDLO Cc1ccc(O)c(C[N@H+]2Cc3cnn(-c4ccccc4)c3C2)c1 ZINC000816668663 627823698 /nfs/dbraw/zinc/82/36/98/627823698.db2.gz UQYXRRKGGJXMPC-UHFFFAOYSA-N 1 2 305.381 3.402 20 10 DGCDLO Cc1c(Cl)c(C[NH2+]Cc2ccc(N(C)C)cc2C)nn1C ZINC000817407328 627893822 /nfs/dbraw/zinc/89/38/22/627893822.db2.gz JZCJDGJCPITZLP-UHFFFAOYSA-N 1 2 306.841 3.046 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cc(F)cc(F)c1O ZINC000817972957 627980288 /nfs/dbraw/zinc/98/02/88/627980288.db2.gz ACDYAHKBPCIMKR-PIGZYNQJSA-N 1 2 318.367 3.208 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCC1CCOCC1 ZINC000824477782 628664470 /nfs/dbraw/zinc/66/44/70/628664470.db2.gz XJWPMCJDVVQKLK-UHFFFAOYSA-N 1 2 301.789 3.481 20 10 DGCDLO C[N@H+](Cc1cscn1)Cc1ccc(Br)cc1O ZINC000824627628 628678930 /nfs/dbraw/zinc/67/89/30/628678930.db2.gz QWRBONHSCYYALO-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO C[N@@H+](Cc1cscn1)Cc1ccc(Br)cc1O ZINC000824627628 628678931 /nfs/dbraw/zinc/67/89/31/628678931.db2.gz QWRBONHSCYYALO-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H](CO)c1ccccc1 ZINC000824696745 628684627 /nfs/dbraw/zinc/68/46/27/628684627.db2.gz RJTQONOKUDDNNT-HNNXBMFYSA-N 1 2 309.768 3.350 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H](CO)c1ccccc1 ZINC000824696745 628684632 /nfs/dbraw/zinc/68/46/32/628684632.db2.gz RJTQONOKUDDNNT-HNNXBMFYSA-N 1 2 309.768 3.350 20 10 DGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)[C@H](CO)CC(C)(C)C ZINC000825041018 628720144 /nfs/dbraw/zinc/72/01/44/628720144.db2.gz YOQQZGJRSOATLO-LBPRGKRZSA-N 1 2 303.805 3.414 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@H](CO)CC(C)(C)C ZINC000825041018 628720147 /nfs/dbraw/zinc/72/01/47/628720147.db2.gz YOQQZGJRSOATLO-LBPRGKRZSA-N 1 2 303.805 3.414 20 10 DGCDLO CC1CCC(O)(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000827949279 629007368 /nfs/dbraw/zinc/00/73/68/629007368.db2.gz LSJPRBIGOQECBQ-UHFFFAOYSA-N 1 2 301.789 3.216 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@](C)(C(F)F)O1 ZINC000827962087 629008857 /nfs/dbraw/zinc/00/88/57/629008857.db2.gz FSCPUMZUXPYIBU-BDJLRTHQSA-N 1 2 316.367 3.136 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@](C)(C(F)F)O1 ZINC000827962087 629008859 /nfs/dbraw/zinc/00/88/59/629008859.db2.gz FSCPUMZUXPYIBU-BDJLRTHQSA-N 1 2 316.367 3.136 20 10 DGCDLO CC[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cccc(Cl)c1O ZINC000834916442 629808436 /nfs/dbraw/zinc/80/84/36/629808436.db2.gz YTHMCLPTDVPVSS-UGFHNGPFSA-N 1 2 322.836 3.240 20 10 DGCDLO COCC1CCC([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000840962771 630387300 /nfs/dbraw/zinc/38/73/00/630387300.db2.gz NDFMEFXGAYOLSG-UHFFFAOYSA-N 1 2 301.789 3.480 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000841888874 630473709 /nfs/dbraw/zinc/47/37/09/630473709.db2.gz UEILUGZWQJGKJD-ZDUSSCGKSA-N 1 2 319.788 3.365 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cccc(Cl)c1O ZINC000842886591 630589812 /nfs/dbraw/zinc/58/98/12/630589812.db2.gz SQBMXTRIQKZHOL-UONOGXRCSA-N 1 2 324.852 3.486 20 10 DGCDLO COc1ccc(N(C)CC[N@H+](C)Cc2csc(C)n2)cc1 ZINC000844398749 630724615 /nfs/dbraw/zinc/72/46/15/630724615.db2.gz BJPJILHUGKNABW-UHFFFAOYSA-N 1 2 305.447 3.028 20 10 DGCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2csc(C)n2)cc1 ZINC000844398749 630724616 /nfs/dbraw/zinc/72/46/16/630724616.db2.gz BJPJILHUGKNABW-UHFFFAOYSA-N 1 2 305.447 3.028 20 10 DGCDLO C[C@@H](O)[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1F ZINC000846017760 631206395 /nfs/dbraw/zinc/20/63/95/631206395.db2.gz PVDXCXIJOOMNQU-BMIGLBTASA-N 1 2 309.768 3.396 20 10 DGCDLO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1O ZINC000846206271 631214750 /nfs/dbraw/zinc/21/47/50/631214750.db2.gz OYXNBHSREYCYJM-NHYWBVRUSA-N 1 2 322.836 3.097 20 10 DGCDLO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1O ZINC000846206272 631214778 /nfs/dbraw/zinc/21/47/78/631214778.db2.gz OYXNBHSREYCYJM-XHDPSFHLSA-N 1 2 322.836 3.097 20 10 DGCDLO CCc1cccc(CNc2cc(CSCCO)cc[nH+]2)c1O ZINC000848900615 631779376 /nfs/dbraw/zinc/77/93/76/631779376.db2.gz OOLWFQLBOVWLFA-UHFFFAOYSA-N 1 2 318.442 3.187 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1F ZINC000850351655 632121986 /nfs/dbraw/zinc/12/19/86/632121986.db2.gz GLIBISCRTYDPEO-IUODEOHRSA-N 1 2 317.412 3.059 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)CN1CCC(C)CC1)c1cc(F)cc(F)c1O ZINC000850544118 632187831 /nfs/dbraw/zinc/18/78/31/632187831.db2.gz TUPRETARZZTSTJ-QWHCGFSZSA-N 1 2 312.404 3.441 20 10 DGCDLO Cc1cc(C[N@@H+]2CCn3cncc3C2)ccc1N1CCCCC1 ZINC000852062808 632547747 /nfs/dbraw/zinc/54/77/47/632547747.db2.gz BLRFEBFVECJZGM-UHFFFAOYSA-N 1 2 310.445 3.198 20 10 DGCDLO Cc1cc(C[N@H+]2CCn3cncc3C2)ccc1N1CCCCC1 ZINC000852062808 632547754 /nfs/dbraw/zinc/54/77/54/632547754.db2.gz BLRFEBFVECJZGM-UHFFFAOYSA-N 1 2 310.445 3.198 20 10 DGCDLO COCCn1c2ccccc2[nH+]c1NCc1cc(C)ccc1O ZINC000185850182 660248507 /nfs/dbraw/zinc/24/85/07/660248507.db2.gz GIFSNMFTDCLSQU-UHFFFAOYSA-N 1 2 311.385 3.309 20 10 DGCDLO C[C@@H]1[N@H+](Cc2c(O)cccc2Br)CCOC1(C)C ZINC000707128014 660889689 /nfs/dbraw/zinc/88/96/89/660889689.db2.gz QQYYJFAOWKWJAM-JTQLQIEISA-N 1 2 314.223 3.154 20 10 DGCDLO C[C@@H]1[N@@H+](Cc2c(O)cccc2Br)CCOC1(C)C ZINC000707128014 660889691 /nfs/dbraw/zinc/88/96/91/660889691.db2.gz QQYYJFAOWKWJAM-JTQLQIEISA-N 1 2 314.223 3.154 20 10 DGCDLO CCC[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000709022280 660923502 /nfs/dbraw/zinc/92/35/02/660923502.db2.gz UWASKAPDQDUIEZ-CYBMUJFWSA-N 1 2 314.223 3.156 20 10 DGCDLO CCC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000709022280 660923503 /nfs/dbraw/zinc/92/35/03/660923503.db2.gz UWASKAPDQDUIEZ-CYBMUJFWSA-N 1 2 314.223 3.156 20 10 DGCDLO CNC(=O)C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000796035998 661186465 /nfs/dbraw/zinc/18/64/65/661186465.db2.gz FKHBXJQUAXGFMU-HNNXBMFYSA-N 1 2 318.804 3.013 20 10 DGCDLO CCOCC(C)(C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715804091 661214541 /nfs/dbraw/zinc/21/45/41/661214541.db2.gz MFBBSJIWNYJGON-UHFFFAOYSA-N 1 2 320.202 3.199 20 10 DGCDLO COCCCC[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715807879 661214897 /nfs/dbraw/zinc/21/48/97/661214897.db2.gz XEWLPIGBGOVEBT-UHFFFAOYSA-N 1 2 320.202 3.152 20 10 DGCDLO COCCCC[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC000715807879 661214899 /nfs/dbraw/zinc/21/48/99/661214899.db2.gz XEWLPIGBGOVEBT-UHFFFAOYSA-N 1 2 320.202 3.152 20 10 DGCDLO C[C@H]1SCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000309783731 656054649 /nfs/dbraw/zinc/05/46/49/656054649.db2.gz NNFCAUUVYBYZOY-LDYMZIIASA-N 1 2 302.237 3.138 20 10 DGCDLO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000236847226 656958807 /nfs/dbraw/zinc/95/88/07/656958807.db2.gz OBNUCSRANKWZJF-NSHDSACASA-N 1 2 319.405 3.322 20 10 DGCDLO CC(C)COCCC[NH2+]Cc1cccc(Br)c1O ZINC000042411811 658772491 /nfs/dbraw/zinc/77/24/91/658772491.db2.gz NHECCDMFSRGTEW-UHFFFAOYSA-N 1 2 316.239 3.307 20 10 DGCDLO CCc1ccc([C@H]2COCC[N@@H+]2Cc2cccc(C)c2O)o1 ZINC000180289375 659958055 /nfs/dbraw/zinc/95/80/55/659958055.db2.gz YZZHKDLCFIHFMH-MRXNPFEDSA-N 1 2 301.386 3.430 20 10 DGCDLO CCc1ccc([C@H]2COCC[N@H+]2Cc2cccc(C)c2O)o1 ZINC000180289375 659958056 /nfs/dbraw/zinc/95/80/56/659958056.db2.gz YZZHKDLCFIHFMH-MRXNPFEDSA-N 1 2 301.386 3.430 20 10 DGCDLO Cc1cc(O)c(C[NH2+][C@@H](c2cn[nH]n2)C(C)(C)C)cc1Cl ZINC001577348051 1191894128 /nfs/dbraw/zinc/89/41/28/1191894128.db2.gz KNLJYUAEVOAQBB-AWEZNQCLSA-N 1 2 308.813 3.349 20 10 DGCDLO Cc1cc(O)c(C[NH2+][C@@H](c2c[nH]nn2)C(C)(C)C)cc1Cl ZINC001577348051 1191894132 /nfs/dbraw/zinc/89/41/32/1191894132.db2.gz KNLJYUAEVOAQBB-AWEZNQCLSA-N 1 2 308.813 3.349 20 10 DGCDLO CN(Cc1cc(Cl)cc(F)c1O)C(C)(C)C[NH+]1CCCC1 ZINC001462382617 1182944647 /nfs/dbraw/zinc/94/46/47/1182944647.db2.gz HZHKENYEOFOCBF-UHFFFAOYSA-N 1 2 314.832 3.491 20 10 DGCDLO CN1CC[N@H+](Cc2cc(Cl)c(F)cc2O)Cc2cccnc21 ZINC001462531935 1182964548 /nfs/dbraw/zinc/96/45/48/1182964548.db2.gz VOQOYSZSLVPDQM-UHFFFAOYSA-N 1 2 321.783 3.032 20 10 DGCDLO CN1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)Cc2cccnc21 ZINC001462531935 1182964554 /nfs/dbraw/zinc/96/45/54/1182964554.db2.gz VOQOYSZSLVPDQM-UHFFFAOYSA-N 1 2 321.783 3.032 20 10 DGCDLO O=C(NCc1cccc(Cl)c1O)Nc1ccc2[nH+]ccn2c1 ZINC001467062574 1183237759 /nfs/dbraw/zinc/23/77/59/1183237759.db2.gz DZPQCIYRDFTNSE-UHFFFAOYSA-N 1 2 316.748 3.015 20 10 DGCDLO CCC(CC)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)N(C)C ZINC001473925956 1183830371 /nfs/dbraw/zinc/83/03/71/1183830371.db2.gz HTOVOXQGKVGPTH-OAHLLOKOSA-N 1 2 300.393 3.126 20 10 DGCDLO C[N@@H+]1CCN(Cc2cc(F)cc(F)c2O)[C@@H](c2ccccc2)C1 ZINC001621112245 1193803629 /nfs/dbraw/zinc/80/36/29/1193803629.db2.gz ICFOQVVBHNBNFB-QGZVFWFLSA-N 1 2 318.367 3.159 20 10 DGCDLO C[N@H+]1CCN(Cc2cc(F)cc(F)c2O)[C@@H](c2ccccc2)C1 ZINC001621112245 1193803633 /nfs/dbraw/zinc/80/36/33/1193803633.db2.gz ICFOQVVBHNBNFB-QGZVFWFLSA-N 1 2 318.367 3.159 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC001621396550 1193837544 /nfs/dbraw/zinc/83/75/44/1193837544.db2.gz MSGZBXLVQLCBBC-LSDHHAIUSA-N 1 2 320.477 3.312 20 10 DGCDLO CCn1c2ccccc2nc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC001652146522 1195553558 /nfs/dbraw/zinc/55/35/58/1195553558.db2.gz PYKVKZIIBQBYOA-UHFFFAOYSA-N 1 2 317.339 3.330 20 10 DGCDLO CCOC(=O)[C@@H]1C2CCC(CC2)[N@@H+]1Cc1ccc(Cl)cc1O ZINC001652520143 1195610174 /nfs/dbraw/zinc/61/01/74/1195610174.db2.gz TTZMDVPJRJGSOP-INORYPFCSA-N 1 2 323.820 3.352 20 10 DGCDLO CCOC(=O)[C@@H]1C2CCC(CC2)[N@H+]1Cc1ccc(Cl)cc1O ZINC001652520143 1195610179 /nfs/dbraw/zinc/61/01/79/1195610179.db2.gz TTZMDVPJRJGSOP-INORYPFCSA-N 1 2 323.820 3.352 20 10 DGCDLO CC(C)CNC(=O)C1([NH2+]Cc2cccc(Cl)c2O)CCCC1 ZINC001657834524 1196182757 /nfs/dbraw/zinc/18/27/57/1196182757.db2.gz WEXXZLFVMLXZCA-UHFFFAOYSA-N 1 2 324.852 3.220 20 10 DGCDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001659002634 1196331386 /nfs/dbraw/zinc/33/13/86/1196331386.db2.gz LJKNWVFGLNYTMX-DVBCCOPCSA-N 1 2 316.445 3.183 20 10 DGCDLO CCOC(=O)[C@@H]1CCCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001659002634 1196331390 /nfs/dbraw/zinc/33/13/90/1196331390.db2.gz LJKNWVFGLNYTMX-DVBCCOPCSA-N 1 2 316.445 3.183 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC001659218776 1196360060 /nfs/dbraw/zinc/36/00/60/1196360060.db2.gz QYZPTXJYALRYJW-OAHLLOKOSA-N 1 2 319.351 3.114 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC001659218776 1196360063 /nfs/dbraw/zinc/36/00/63/1196360063.db2.gz QYZPTXJYALRYJW-OAHLLOKOSA-N 1 2 319.351 3.114 20 10 DGCDLO Cc1cccc(N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)c1 ZINC001659280457 1196366763 /nfs/dbraw/zinc/36/67/63/1196366763.db2.gz KIONAFOEDDHHRH-UHFFFAOYSA-N 1 2 318.367 3.301 20 10 DGCDLO CN(C)c1cc(F)c(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1F ZINC001659373608 1196376678 /nfs/dbraw/zinc/37/66/78/1196376678.db2.gz SDWXUTVJCYOZGR-SJORKVTESA-N 1 2 324.415 3.420 20 10 DGCDLO CN(C)c1cc(F)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1F ZINC001659373608 1196376673 /nfs/dbraw/zinc/37/66/73/1196376673.db2.gz SDWXUTVJCYOZGR-SJORKVTESA-N 1 2 324.415 3.420 20 10 DGCDLO C[C@@H]1CCC[C@@](C[NH2+]Cc2cc(F)cc(F)c2O)(N(C)C)C1 ZINC001661084465 1196563630 /nfs/dbraw/zinc/56/36/30/1196563630.db2.gz WDHRJTIBOUDSGC-SJKOYZFVSA-N 1 2 312.404 3.271 20 10 DGCDLO CCN1CCCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001661412089 1196603615 /nfs/dbraw/zinc/60/36/15/1196603615.db2.gz YHQYRQYYUCIXJF-ZDUSSCGKSA-N 1 2 300.805 3.149 20 10 DGCDLO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001661421083 1196604137 /nfs/dbraw/zinc/60/41/37/1196604137.db2.gz SQWYDWLDAJYQDO-ZBEGNZNMSA-N 1 2 323.795 3.439 20 10 DGCDLO CCn1cnc(Cl)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001663519891 1196893268 /nfs/dbraw/zinc/89/32/68/1196893268.db2.gz BPICAEYUUHMZDJ-UHFFFAOYSA-N 1 2 306.841 3.254 20 10 DGCDLO CCn1cnc(Cl)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001663519891 1196893278 /nfs/dbraw/zinc/89/32/78/1196893278.db2.gz BPICAEYUUHMZDJ-UHFFFAOYSA-N 1 2 306.841 3.254 20 10 DGCDLO CCOC(=O)C[N@H+](C/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC001663855276 1196951250 /nfs/dbraw/zinc/95/12/50/1196951250.db2.gz OTXFEVOLOYVPER-BQYQJAHWSA-N 1 2 304.434 3.039 20 10 DGCDLO CCOC(=O)C[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC001663855276 1196951253 /nfs/dbraw/zinc/95/12/53/1196951253.db2.gz OTXFEVOLOYVPER-BQYQJAHWSA-N 1 2 304.434 3.039 20 10 DGCDLO CC(C)C[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000112642520 1199649613 /nfs/dbraw/zinc/64/96/13/1199649613.db2.gz ZNYJABYMDXMRIU-UHFFFAOYSA-N 1 2 317.260 3.473 20 10 DGCDLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)c(Br)cc1O ZINC001250135597 1105450843 /nfs/dbraw/zinc/45/08/43/1105450843.db2.gz GBKWFOLKKMYCAT-ZDUSSCGKSA-N 1 2 312.207 3.017 20 10 DGCDLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)c(Br)cc1O ZINC001250135597 1105450846 /nfs/dbraw/zinc/45/08/46/1105450846.db2.gz GBKWFOLKKMYCAT-ZDUSSCGKSA-N 1 2 312.207 3.017 20 10 DGCDLO CN(C)c1cc(F)c(C[NH+]2CC(C)(C)OC(C)(C)C2)cc1F ZINC001180936164 1083371704 /nfs/dbraw/zinc/37/17/04/1083371704.db2.gz VDQZGCIMAHAYAG-UHFFFAOYSA-N 1 2 312.404 3.420 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cccc3c1OC(F)(F)O3)C2 ZINC001183454803 1083951623 /nfs/dbraw/zinc/95/16/23/1083951623.db2.gz OGNYTOXKSIRXEN-UHFFFAOYSA-N 1 2 305.280 3.230 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cccc3c1OC(F)(F)O3)C2 ZINC001183454803 1083951633 /nfs/dbraw/zinc/95/16/33/1083951633.db2.gz OGNYTOXKSIRXEN-UHFFFAOYSA-N 1 2 305.280 3.230 20 10 DGCDLO COc1ccc2c(c1)CCCCN2Cc1cc[nH+]c(N(C)C)c1 ZINC001168243477 1087069421 /nfs/dbraw/zinc/06/94/21/1087069421.db2.gz FNQFZMXQVUMZSY-UHFFFAOYSA-N 1 2 311.429 3.499 20 10 DGCDLO C[N@@H+](Cc1cccc2c1OCO2)Cc1cc(F)c(F)cc1O ZINC001142534653 1087279591 /nfs/dbraw/zinc/27/95/91/1087279591.db2.gz QVWRPYPBZPFZOP-UHFFFAOYSA-N 1 2 307.296 3.031 20 10 DGCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001152977672 1088125348 /nfs/dbraw/zinc/12/53/48/1088125348.db2.gz VFORFVULPLYTET-UHFFFAOYSA-N 1 2 322.412 3.291 20 10 DGCDLO Cc1cccc(CNc2cc(N3CCC[C@H](C)C3)nc[nH+]2)c1O ZINC001160771433 1088950567 /nfs/dbraw/zinc/95/05/67/1088950567.db2.gz VDXZRYMRHYAZNU-ZDUSSCGKSA-N 1 2 312.417 3.339 20 10 DGCDLO Cc1cccc(CNc2cc(N3CCC[C@H](C)C3)[nH+]cn2)c1O ZINC001160771433 1088950584 /nfs/dbraw/zinc/95/05/84/1088950584.db2.gz VDXZRYMRHYAZNU-ZDUSSCGKSA-N 1 2 312.417 3.339 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(CN2CCC(F)(F)[C@H]([NH3+])C2)cc1 ZINC001206654319 1089015755 /nfs/dbraw/zinc/01/57/55/1089015755.db2.gz BLLYSAVDAANZCY-QGZVFWFLSA-N 1 2 319.399 3.262 20 10 DGCDLO Oc1ccccc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001203561658 1090756448 /nfs/dbraw/zinc/75/64/48/1090756448.db2.gz XRLRTYHJLLEOQB-MJGOQNOKSA-N 1 2 308.425 3.099 20 10 DGCDLO Oc1ccccc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001203561658 1090756455 /nfs/dbraw/zinc/75/64/55/1090756455.db2.gz XRLRTYHJLLEOQB-MJGOQNOKSA-N 1 2 308.425 3.099 20 10 DGCDLO COc1ccc(C[N@@H+]2CCc3ncc(Cl)cc3C2)c(O)c1 ZINC001203634520 1090770417 /nfs/dbraw/zinc/77/04/17/1090770417.db2.gz JZLDDNVPIWGEPD-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1ccc(C[N@H+]2CCc3ncc(Cl)cc3C2)c(O)c1 ZINC001203634520 1090770421 /nfs/dbraw/zinc/77/04/21/1090770421.db2.gz JZLDDNVPIWGEPD-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO C[C@]1(F)CC[N@H+](Cc2cc(Br)ccc2O)C[C@H]1F ZINC001203636605 1090771010 /nfs/dbraw/zinc/77/10/10/1090771010.db2.gz YFYPSVCFFSSSLG-OLZOCXBDSA-N 1 2 320.177 3.427 20 10 DGCDLO C[C@]1(F)CC[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1F ZINC001203636605 1090771014 /nfs/dbraw/zinc/77/10/14/1090771014.db2.gz YFYPSVCFFSSSLG-OLZOCXBDSA-N 1 2 320.177 3.427 20 10 DGCDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001204328311 1090950961 /nfs/dbraw/zinc/95/09/61/1090950961.db2.gz GVUZTZZHIMRIJK-HNNXBMFYSA-N 1 2 318.461 3.449 20 10 DGCDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001204328311 1090950962 /nfs/dbraw/zinc/95/09/62/1090950962.db2.gz GVUZTZZHIMRIJK-HNNXBMFYSA-N 1 2 318.461 3.449 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000715806055 1091009178 /nfs/dbraw/zinc/00/91/78/1091009178.db2.gz PHWWRFQAFLOSQS-SECBINFHSA-N 1 2 320.177 3.475 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC000715806055 1091009184 /nfs/dbraw/zinc/00/91/84/1091009184.db2.gz PHWWRFQAFLOSQS-SECBINFHSA-N 1 2 320.177 3.475 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](C)[C@H]1C ZINC001139129130 1091459809 /nfs/dbraw/zinc/45/98/09/1091459809.db2.gz NTMWDGTZGQYQKB-WCQYABFASA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC001139129130 1091459813 /nfs/dbraw/zinc/45/98/13/1091459813.db2.gz NTMWDGTZGQYQKB-WCQYABFASA-N 1 2 301.386 3.427 20 10 DGCDLO C[N@@H+]1CCN(Cc2cc(F)ccc2O)C[C@@H]1c1ccccc1 ZINC001140055835 1091751444 /nfs/dbraw/zinc/75/14/44/1091751444.db2.gz XFTZCCTZGDPLOQ-QGZVFWFLSA-N 1 2 300.377 3.020 20 10 DGCDLO C[N@H+]1CCN(Cc2cc(F)ccc2O)C[C@@H]1c1ccccc1 ZINC001140055835 1091751455 /nfs/dbraw/zinc/75/14/55/1091751455.db2.gz XFTZCCTZGDPLOQ-QGZVFWFLSA-N 1 2 300.377 3.020 20 10 DGCDLO Oc1cccc(Br)c1C[N@@H+]1CCc2cnccc2C1 ZINC001140098930 1091767179 /nfs/dbraw/zinc/76/71/79/1091767179.db2.gz UESAKMBTDYAYHP-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1cccc(Br)c1C[N@H+]1CCc2cnccc2C1 ZINC001140098930 1091767187 /nfs/dbraw/zinc/76/71/87/1091767187.db2.gz UESAKMBTDYAYHP-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Cc1ccc(Cl)nc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001140447479 1091869095 /nfs/dbraw/zinc/86/90/95/1091869095.db2.gz ZCWBWKIAZBVUDP-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO Cc1ccc(Cl)nc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001140447479 1091869101 /nfs/dbraw/zinc/86/91/01/1091869101.db2.gz ZCWBWKIAZBVUDP-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140586032 1091921581 /nfs/dbraw/zinc/92/15/81/1091921581.db2.gz ZTQBOZNOKNUYMY-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140586032 1091921588 /nfs/dbraw/zinc/92/15/88/1091921588.db2.gz ZTQBOZNOKNUYMY-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO Fc1cc(N2CCOCC2)ccc1C[NH+]1Cc2ccccc2C1 ZINC001140662298 1091950113 /nfs/dbraw/zinc/95/01/13/1091950113.db2.gz NDEVUBSLCOPIHP-UHFFFAOYSA-N 1 2 312.388 3.178 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+]2CCc3oc(C)nc3C2)c(O)c1 ZINC001140855981 1092031801 /nfs/dbraw/zinc/03/18/01/1092031801.db2.gz FXJWQIYMXYVYHW-UHFFFAOYSA-N 1 2 315.417 3.093 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+]2CCc3oc(C)nc3C2)c(O)c1 ZINC001140855981 1092031810 /nfs/dbraw/zinc/03/18/10/1092031810.db2.gz FXJWQIYMXYVYHW-UHFFFAOYSA-N 1 2 315.417 3.093 20 10 DGCDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(C(C)(C)C)c1O ZINC001143104070 1092615402 /nfs/dbraw/zinc/61/54/02/1092615402.db2.gz BDJNCPLMAGNODY-UHFFFAOYSA-N 1 2 307.434 3.463 20 10 DGCDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(C(C)(C)C)c1O ZINC001143104070 1092615405 /nfs/dbraw/zinc/61/54/05/1092615405.db2.gz BDJNCPLMAGNODY-UHFFFAOYSA-N 1 2 307.434 3.463 20 10 DGCDLO Nc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC001120262863 1094396705 /nfs/dbraw/zinc/39/67/05/1094396705.db2.gz FUGYRIWLRFXXCW-QGZVFWFLSA-N 1 2 302.805 3.496 20 10 DGCDLO Nc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC001120262863 1094396712 /nfs/dbraw/zinc/39/67/12/1094396712.db2.gz FUGYRIWLRFXXCW-QGZVFWFLSA-N 1 2 302.805 3.496 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cncc(Cl)c1)CCC2 ZINC001136996599 1095276712 /nfs/dbraw/zinc/27/67/12/1095276712.db2.gz RCNBZOINFDOCHW-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cncc(Cl)c1)CCC2 ZINC001136996599 1095276723 /nfs/dbraw/zinc/27/67/23/1095276723.db2.gz RCNBZOINFDOCHW-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO CCN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2c2cccn2C)cc1 ZINC001116821361 1095670683 /nfs/dbraw/zinc/67/06/83/1095670683.db2.gz OWULXCXQPWRZMK-LJQANCHMSA-N 1 2 313.445 3.055 20 10 DGCDLO CCN(C)c1ccc(C[N@H+]2CCOC[C@@H]2c2cccn2C)cc1 ZINC001116821361 1095670692 /nfs/dbraw/zinc/67/06/92/1095670692.db2.gz OWULXCXQPWRZMK-LJQANCHMSA-N 1 2 313.445 3.055 20 10 DGCDLO Cc1cc(CNC(=O)[C@@H](C)n2cc[nH+]c2)c(C)n1-c1ccccc1 ZINC001118953069 1096110380 /nfs/dbraw/zinc/11/03/80/1096110380.db2.gz MGFARNDUTCYCQG-MRXNPFEDSA-N 1 2 322.412 3.168 20 10 DGCDLO COc1ccc(Br)c(C[N@@H+]2C[C@H](F)C[C@H]2C)c1O ZINC001231547855 1097777205 /nfs/dbraw/zinc/77/72/05/1097777205.db2.gz KMJISYDGKFBDJN-RKDXNWHRSA-N 1 2 318.186 3.096 20 10 DGCDLO COc1ccc(Br)c(C[N@H+]2C[C@H](F)C[C@H]2C)c1O ZINC001231547855 1097777207 /nfs/dbraw/zinc/77/72/07/1097777207.db2.gz KMJISYDGKFBDJN-RKDXNWHRSA-N 1 2 318.186 3.096 20 10 DGCDLO CCc1noc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC001231912706 1097890926 /nfs/dbraw/zinc/89/09/26/1097890926.db2.gz SWCVAZPBTAXBJU-LBPRGKRZSA-N 1 2 321.808 3.371 20 10 DGCDLO CCc1noc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC001231912706 1097890934 /nfs/dbraw/zinc/89/09/34/1097890934.db2.gz SWCVAZPBTAXBJU-LBPRGKRZSA-N 1 2 321.808 3.371 20 10 DGCDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cccc(Cl)c1O ZINC001231915122 1097892091 /nfs/dbraw/zinc/89/20/91/1097892091.db2.gz ZKMFDSNFXVPQOE-WHOFXGATSA-N 1 2 323.820 3.209 20 10 DGCDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cccc(Cl)c1O ZINC001231915122 1097892098 /nfs/dbraw/zinc/89/20/98/1097892098.db2.gz ZKMFDSNFXVPQOE-WHOFXGATSA-N 1 2 323.820 3.209 20 10 DGCDLO CSCC[N@H+](C)Cc1c(O)cc(Br)cc1F ZINC001233030368 1098207131 /nfs/dbraw/zinc/20/71/31/1098207131.db2.gz QSILWBWUNTYPNS-UHFFFAOYSA-N 1 2 308.216 3.089 20 10 DGCDLO CSCC[N@@H+](C)Cc1c(O)cc(Br)cc1F ZINC001233030368 1098207133 /nfs/dbraw/zinc/20/71/33/1098207133.db2.gz QSILWBWUNTYPNS-UHFFFAOYSA-N 1 2 308.216 3.089 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)c1O ZINC001233287786 1098277441 /nfs/dbraw/zinc/27/74/41/1098277441.db2.gz HLSZVBHVRYCVNM-JSGCOSHPSA-N 1 2 305.752 3.326 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)c1O ZINC001233287786 1098277445 /nfs/dbraw/zinc/27/74/45/1098277445.db2.gz HLSZVBHVRYCVNM-JSGCOSHPSA-N 1 2 305.752 3.326 20 10 DGCDLO CC(C)(C)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454504 1098341078 /nfs/dbraw/zinc/34/10/78/1098341078.db2.gz WXHGDHFFPQXOHO-UHFFFAOYSA-N 1 2 316.367 3.327 20 10 DGCDLO COc1nc(C)cc(C)c1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001177641435 1098571306 /nfs/dbraw/zinc/57/13/06/1098571306.db2.gz CUYGMZHLDCNRPX-UHFFFAOYSA-N 1 2 324.783 3.495 20 10 DGCDLO Cc1ccccc1[C@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001177800317 1098619360 /nfs/dbraw/zinc/61/93/60/1098619360.db2.gz YNUWAMVCJMBXQZ-OAHLLOKOSA-N 1 2 309.768 3.316 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001235305573 1098952586 /nfs/dbraw/zinc/95/25/86/1098952586.db2.gz NZMDUOZWYDREBH-QPUJVOFHSA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001235305573 1098952589 /nfs/dbraw/zinc/95/25/89/1098952589.db2.gz NZMDUOZWYDREBH-QPUJVOFHSA-N 1 2 300.171 3.278 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001236797726 1099792237 /nfs/dbraw/zinc/79/22/37/1099792237.db2.gz INNNKGCCZWUWFW-WFASDCNBSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001236797726 1099792248 /nfs/dbraw/zinc/79/22/48/1099792248.db2.gz INNNKGCCZWUWFW-WFASDCNBSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1ccc(C[N@H+](C)CCc2ccncc2)c(O)c1Cl ZINC001236810991 1099799361 /nfs/dbraw/zinc/79/93/61/1099799361.db2.gz DFSNZUHBSIXMOV-UHFFFAOYSA-N 1 2 306.793 3.124 20 10 DGCDLO COc1ccc(C[N@@H+](C)CCc2ccncc2)c(O)c1Cl ZINC001236810991 1099799365 /nfs/dbraw/zinc/79/93/65/1099799365.db2.gz DFSNZUHBSIXMOV-UHFFFAOYSA-N 1 2 306.793 3.124 20 10 DGCDLO C[C@@]1(CO)CC(F)(F)C[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236827132 1099810361 /nfs/dbraw/zinc/81/03/61/1099810361.db2.gz PSQUMXCWLIANFL-INIZCTEOSA-N 1 2 307.340 3.137 20 10 DGCDLO C[C@@]1(CO)CC(F)(F)C[N@H+]1Cc1cc2ccccc2cc1O ZINC001236827132 1099810368 /nfs/dbraw/zinc/81/03/68/1099810368.db2.gz PSQUMXCWLIANFL-INIZCTEOSA-N 1 2 307.340 3.137 20 10 DGCDLO CC(C)c1ccc(C[N@@H+]2CCN(c3ccccc3)C(=O)C2)c(O)c1 ZINC001237053288 1099946533 /nfs/dbraw/zinc/94/65/33/1099946533.db2.gz IHPSRJXTEGKEGZ-UHFFFAOYSA-N 1 2 324.424 3.364 20 10 DGCDLO CC(C)c1ccc(C[N@H+]2CCN(c3ccccc3)C(=O)C2)c(O)c1 ZINC001237053288 1099946541 /nfs/dbraw/zinc/94/65/41/1099946541.db2.gz IHPSRJXTEGKEGZ-UHFFFAOYSA-N 1 2 324.424 3.364 20 10 DGCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001237085299 1099965195 /nfs/dbraw/zinc/96/51/95/1099965195.db2.gz XRMIYDJDLLZFHX-CQSZACIVSA-N 1 2 302.201 3.454 20 10 DGCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001237085299 1099965204 /nfs/dbraw/zinc/96/52/04/1099965204.db2.gz XRMIYDJDLLZFHX-CQSZACIVSA-N 1 2 302.201 3.454 20 10 DGCDLO Oc1c(F)cc(Cl)cc1CN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237160335 1100009246 /nfs/dbraw/zinc/00/92/46/1100009246.db2.gz JPNZPQHRIRFOIY-AWEZNQCLSA-N 1 2 312.816 3.291 20 10 DGCDLO Cc1cc(O)c(C[N@@H+](C)Cc2ccon2)cc1Br ZINC001237682244 1100211774 /nfs/dbraw/zinc/21/17/74/1100211774.db2.gz OPVFHHPZLIYTIT-UHFFFAOYSA-N 1 2 311.179 3.083 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+](C)Cc2nnc3ccccn32)c1O ZINC001237681765 1100212250 /nfs/dbraw/zinc/21/22/50/1100212250.db2.gz QQZCPZLQNDQFSX-UHFFFAOYSA-N 1 2 316.792 3.029 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+](C)Cc2nnc3ccccn32)c1O ZINC001237681765 1100212254 /nfs/dbraw/zinc/21/22/54/1100212254.db2.gz QQZCPZLQNDQFSX-UHFFFAOYSA-N 1 2 316.792 3.029 20 10 DGCDLO CC(C)[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001325929361 1103166332 /nfs/dbraw/zinc/16/63/32/1103166332.db2.gz ZGZAQXAIAOTKEB-HNNXBMFYSA-N 1 2 301.789 3.025 20 10 DGCDLO CC(C)[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001325929361 1103166334 /nfs/dbraw/zinc/16/63/34/1103166334.db2.gz ZGZAQXAIAOTKEB-HNNXBMFYSA-N 1 2 301.789 3.025 20 10 DGCDLO C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275270967 1104698985 /nfs/dbraw/zinc/69/89/85/1104698985.db2.gz ICMZCHPDSUCIIC-YHWZYXNKSA-N 1 2 315.244 3.414 20 10 DGCDLO C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001275270967 1104698990 /nfs/dbraw/zinc/69/89/90/1104698990.db2.gz ICMZCHPDSUCIIC-YHWZYXNKSA-N 1 2 315.244 3.414 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(-c2noc(Cc3c[nH]c[nH+]3)n2)cc1 ZINC001247137377 1104811044 /nfs/dbraw/zinc/81/10/44/1104811044.db2.gz GTYMDDNFLRXDAE-UHFFFAOYSA-N 1 2 319.368 3.458 20 10 DGCDLO CC[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1noc(C)n1 ZINC001308304414 1111414317 /nfs/dbraw/zinc/41/43/17/1111414317.db2.gz ZCTAFRWEYIPFPK-MWWKQMNYSA-N 1 2 300.406 3.198 20 10 DGCDLO C[N@H+](Cc1cc(F)c(F)cc1O)Cc1ccccc1[N+](=O)[O-] ZINC001308587175 1111447426 /nfs/dbraw/zinc/44/74/26/1111447426.db2.gz DLYHSVCUKCFWCZ-UHFFFAOYSA-N 1 2 308.284 3.211 20 10 DGCDLO C[N@@H+](Cc1cc(F)c(F)cc1O)Cc1ccccc1[N+](=O)[O-] ZINC001308587175 1111447429 /nfs/dbraw/zinc/44/74/29/1111447429.db2.gz DLYHSVCUKCFWCZ-UHFFFAOYSA-N 1 2 308.284 3.211 20 10 DGCDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCN1CC(F)(F)F ZINC001308607836 1111449939 /nfs/dbraw/zinc/44/99/39/1111449939.db2.gz PMDWXHKDLZOBCA-JTQLQIEISA-N 1 2 322.758 3.114 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCN1CC(F)(F)F ZINC001308607836 1111449941 /nfs/dbraw/zinc/44/99/41/1111449941.db2.gz PMDWXHKDLZOBCA-JTQLQIEISA-N 1 2 322.758 3.114 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)c1ncnn1C ZINC000278387451 299344926 /nfs/dbraw/zinc/34/49/26/299344926.db2.gz DKYPTLCKWUYJIG-YUMQZZPRSA-N 1 2 315.204 3.239 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(F)c(F)c1O ZINC000276972981 296129784 /nfs/dbraw/zinc/12/97/84/296129784.db2.gz ULSZQIZZWAPDOX-GHMZBOCLSA-N 1 2 313.344 3.007 20 10 DGCDLO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1O ZINC000191193824 296132135 /nfs/dbraw/zinc/13/21/35/296132135.db2.gz TXGCWQURTGLOLX-OTYXRUKQSA-N 1 2 311.303 3.194 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1cc(Cl)c(Cl)cc1O ZINC000278664984 296152635 /nfs/dbraw/zinc/15/26/35/296152635.db2.gz IXRGPURGAWVBAL-SFYZADRCSA-N 1 2 315.204 3.239 20 10 DGCDLO C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(F)c(F)c1O ZINC000187676340 299428307 /nfs/dbraw/zinc/42/83/07/299428307.db2.gz NOYCHGZSLQLJHW-CMPLNLGQSA-N 1 2 305.324 3.325 20 10 DGCDLO COCc1ccccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273299374 130105176 /nfs/dbraw/zinc/10/51/76/130105176.db2.gz AZCVLIVDVAEIAO-GFCCVEGCSA-N 1 2 316.357 3.298 20 10 DGCDLO COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000273447795 130123889 /nfs/dbraw/zinc/12/38/89/130123889.db2.gz FLNOIHAAEABZBF-WBMJQRKESA-N 1 2 316.357 3.339 20 10 DGCDLO CCc1noc(CC)c1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273604014 130144327 /nfs/dbraw/zinc/14/43/27/130144327.db2.gz SODYCJPMUAYXSF-SNVBAGLBSA-N 1 2 319.361 3.264 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cnn(CCOC)c1)c1cccc(Cl)c1O ZINC000286988568 131259238 /nfs/dbraw/zinc/25/92/38/131259238.db2.gz JLQKAFKQSPKKOF-OAHLLOKOSA-N 1 2 323.824 3.129 20 10 DGCDLO CC[C@@H]([NH2+][C@H](C)CN1CCCC1=O)c1cccc(Cl)c1O ZINC000287847332 131303170 /nfs/dbraw/zinc/30/31/70/131303170.db2.gz WOVZGFHVUPUFOE-BXUZGUMPSA-N 1 2 310.825 3.097 20 10 DGCDLO CCN(Cc1cc(Br)ccc1O)c1cc(C)[nH+]cn1 ZINC000089602651 401230002 /nfs/dbraw/zinc/23/00/02/401230002.db2.gz HVBQFAWKUJWUTR-UHFFFAOYSA-N 1 2 322.206 3.280 20 10 DGCDLO C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1O ZINC000187804677 287034684 /nfs/dbraw/zinc/03/46/84/287034684.db2.gz GEEJYFPIUNLUDC-ZMZPIMSZSA-N 1 2 319.351 3.155 20 10 DGCDLO COc1cccc(C2([NH2+]Cc3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC000150895868 432200437 /nfs/dbraw/zinc/20/04/37/432200437.db2.gz ROTVATWFBQAHQU-UHFFFAOYSA-N 1 2 314.341 3.088 20 10 DGCDLO C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc2ccccc2c1O ZINC000370399700 278386850 /nfs/dbraw/zinc/38/68/50/278386850.db2.gz VMOXWRMDJRQKEL-DOMZBBRYSA-N 1 2 307.397 3.477 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)[C@H](CO)SC)c1cccc(Cl)c1O ZINC000287880053 288060582 /nfs/dbraw/zinc/06/05/82/288060582.db2.gz YJJFFURRLZCOOZ-XDTLVQLUSA-N 1 2 303.855 3.199 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1cccc(Cl)c1O ZINC000287559375 288076076 /nfs/dbraw/zinc/07/60/76/288076076.db2.gz GEJPOJXNICYJRW-MFKMUULPSA-N 1 2 312.841 3.390 20 10 DGCDLO Oc1ccccc1N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000183467559 432295793 /nfs/dbraw/zinc/29/57/93/432295793.db2.gz MPDSUBXQOMMJQV-UHFFFAOYSA-N 1 2 318.804 3.073 20 10 DGCDLO CCC1(O)CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000271169159 432343556 /nfs/dbraw/zinc/34/35/56/432343556.db2.gz DJOMLMZERMQLPW-UHFFFAOYSA-N 1 2 304.217 3.436 20 10 DGCDLO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(Cl)c(Cl)c1O ZINC000184982493 432452251 /nfs/dbraw/zinc/45/22/51/432452251.db2.gz BYBJDIFMPNMKNL-GZMMTYOYSA-N 1 2 317.216 3.018 20 10 DGCDLO CC1(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)OCCO1 ZINC000271753091 432425127 /nfs/dbraw/zinc/42/51/27/432425127.db2.gz WDVLHWXERVMAGF-UHFFFAOYSA-N 1 2 311.809 3.021 20 10 DGCDLO CCO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000194461554 432552467 /nfs/dbraw/zinc/55/24/67/432552467.db2.gz QKALXKOHOYHOOB-KRWDZBQOSA-N 1 2 316.357 3.168 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+]C(C)(C)c2noc(C)n2)cc1 ZINC000264381244 432641627 /nfs/dbraw/zinc/64/16/27/432641627.db2.gz KBCALPIPHIHMBB-UHFFFAOYSA-N 1 2 302.422 3.249 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1O ZINC000187668319 432676362 /nfs/dbraw/zinc/67/63/62/432676362.db2.gz SLWAMUIRHJUYQT-YMTOWFKASA-N 1 2 311.303 3.194 20 10 DGCDLO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(F)c(F)c1O ZINC000187730422 432679992 /nfs/dbraw/zinc/67/99/92/432679992.db2.gz UVGPZCGVVMTWKU-BJOHPYRUSA-N 1 2 313.369 3.290 20 10 DGCDLO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1ccc(F)c(F)c1O ZINC000187730442 432680575 /nfs/dbraw/zinc/68/05/75/432680575.db2.gz UVGPZCGVVMTWKU-RFAUZJTJSA-N 1 2 313.369 3.290 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)[C@@H](O)C(F)(F)F ZINC000276912646 432827707 /nfs/dbraw/zinc/82/77/07/432827707.db2.gz LANINZNLCJTYNB-ZKQGETEISA-N 1 2 313.266 3.023 20 10 DGCDLO COc1c(O)c(C[N@H+](C)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000278309929 432891133 /nfs/dbraw/zinc/89/11/33/432891133.db2.gz WPJVSYFJGNJYTL-UHFFFAOYSA-N 1 2 320.320 3.080 20 10 DGCDLO COc1c(O)c(C[N@@H+](C)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000278309929 432891135 /nfs/dbraw/zinc/89/11/35/432891135.db2.gz WPJVSYFJGNJYTL-UHFFFAOYSA-N 1 2 320.320 3.080 20 10 DGCDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1O ZINC000296658494 432923806 /nfs/dbraw/zinc/92/38/06/432923806.db2.gz XECJHHHLIDTOTN-UHFFFAOYSA-N 1 2 314.813 3.002 20 10 DGCDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1O ZINC000296658494 432923810 /nfs/dbraw/zinc/92/38/10/432923810.db2.gz XECJHHHLIDTOTN-UHFFFAOYSA-N 1 2 314.813 3.002 20 10 DGCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](CC)c2ccccc2O)no1 ZINC000290140793 432999366 /nfs/dbraw/zinc/99/93/66/432999366.db2.gz KQIUWMQZFADWPY-AAEUAGOBSA-N 1 2 305.378 3.114 20 10 DGCDLO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2O)C1 ZINC000281074563 433257158 /nfs/dbraw/zinc/25/71/58/433257158.db2.gz OMQJPUWXWOMCHC-MXWKQRLJSA-N 1 2 313.344 3.053 20 10 DGCDLO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2O)C1 ZINC000281074560 433257440 /nfs/dbraw/zinc/25/74/40/433257440.db2.gz OMQJPUWXWOMCHC-AXFHLTTASA-N 1 2 313.344 3.053 20 10 DGCDLO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186224074 290345582 /nfs/dbraw/zinc/34/55/82/290345582.db2.gz YFLSSZCBLFLHAS-QMMMGPOBSA-N 1 2 319.232 3.122 20 10 DGCDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)no1 ZINC000375838186 433587183 /nfs/dbraw/zinc/58/71/83/433587183.db2.gz FCQVOXFFZQLVQO-GFCCVEGCSA-N 1 2 307.781 3.117 20 10 DGCDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)no1 ZINC000375838186 433587191 /nfs/dbraw/zinc/58/71/91/433587191.db2.gz FCQVOXFFZQLVQO-GFCCVEGCSA-N 1 2 307.781 3.117 20 10 DGCDLO Cn1c(Cl)cnc1C[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293655565 433818595 /nfs/dbraw/zinc/81/85/95/433818595.db2.gz PBSMINPASLJJMY-UHFFFAOYSA-N 1 2 318.179 3.204 20 10 DGCDLO Cn1c(Cl)cnc1C[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293655565 433818604 /nfs/dbraw/zinc/81/86/04/433818604.db2.gz PBSMINPASLJJMY-UHFFFAOYSA-N 1 2 318.179 3.204 20 10 DGCDLO CN(C)c1ccc(CN2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1F ZINC000294706784 434126399 /nfs/dbraw/zinc/12/63/99/434126399.db2.gz DJBSFYQVUBBLJL-INIZCTEOSA-N 1 2 316.424 3.208 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000369684255 434599276 /nfs/dbraw/zinc/59/92/76/434599276.db2.gz SWSIBGLLBMQOIO-AWEZNQCLSA-N 1 2 302.201 3.046 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000369684255 434599282 /nfs/dbraw/zinc/59/92/82/434599282.db2.gz SWSIBGLLBMQOIO-AWEZNQCLSA-N 1 2 302.201 3.046 20 10 DGCDLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1cccc(Br)c1 ZINC000492760451 435045328 /nfs/dbraw/zinc/04/53/28/435045328.db2.gz CNTLNQRPKZFPGV-SREVYHEPSA-N 1 2 320.190 3.239 20 10 DGCDLO Cn1ccc(/C=C\C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)c1 ZINC000493387510 435161873 /nfs/dbraw/zinc/16/18/73/435161873.db2.gz MNWQPFZUQFMNHL-WAYWQWQTSA-N 1 2 324.359 3.134 20 10 DGCDLO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187731387 333236698 /nfs/dbraw/zinc/23/66/98/333236698.db2.gz JWSPEMQYXZNBMM-JSGCOSHPSA-N 1 2 321.367 3.487 20 10 DGCDLO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(F)c(F)c1O ZINC000187732129 333236973 /nfs/dbraw/zinc/23/69/73/333236973.db2.gz PCCUHWDRGKKCFL-BJOHPYRUSA-N 1 2 313.369 3.290 20 10 DGCDLO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187742418 333237148 /nfs/dbraw/zinc/23/71/48/333237148.db2.gz RJDVTBMTVBUYDT-NEPJUHHUSA-N 1 2 301.377 3.366 20 10 DGCDLO CO[C@@H](C)c1nc(C[NH2+]Cc2c(O)cccc2Cl)cs1 ZINC000267630889 523473218 /nfs/dbraw/zinc/47/32/18/523473218.db2.gz NUWRAMFAWKBXEQ-VIFPVBQESA-N 1 2 312.822 3.499 20 10 DGCDLO Cc1nc(C2([NH2+]Cc3cccc(Cl)c3O)CCCC2)no1 ZINC000181789223 526768576 /nfs/dbraw/zinc/76/85/76/526768576.db2.gz IZNXWOVKPNDIGW-UHFFFAOYSA-N 1 2 307.781 3.296 20 10 DGCDLO CC[C@H]([NH2+][C@H](COC)[C@H]1CCCO1)c1cccc(Cl)c1O ZINC000286972013 535944655 /nfs/dbraw/zinc/94/46/55/535944655.db2.gz IMJVGBIAAUGUTI-RRFJBIMHSA-N 1 2 313.825 3.280 20 10 DGCDLO COCc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273391218 536781878 /nfs/dbraw/zinc/78/18/78/536781878.db2.gz KUSGNUZWGPOYED-GFCCVEGCSA-N 1 2 316.357 3.298 20 10 DGCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)[C@H]1C=CCCC1 ZINC000731845052 574560351 /nfs/dbraw/zinc/56/03/51/574560351.db2.gz PSAXYCBCXSGCTE-AWEZNQCLSA-N 1 2 309.793 3.129 20 10 DGCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)[C@H]1C=CCCC1 ZINC000731845052 574560352 /nfs/dbraw/zinc/56/03/52/574560352.db2.gz PSAXYCBCXSGCTE-AWEZNQCLSA-N 1 2 309.793 3.129 20 10 DGCDLO CCOc1ccc(C[NH2+][C@@H](CC(C)C)C(=O)OC(C)C)c(O)c1 ZINC000734004685 574646748 /nfs/dbraw/zinc/64/67/48/574646748.db2.gz BQSOBQOGXGDHJS-INIZCTEOSA-N 1 2 323.433 3.247 20 10 DGCDLO COc1ccc([NH+]2CCC(NC(=O)[C@H](C)C(C)(C)C)CC2)cc1 ZINC000734391781 574660399 /nfs/dbraw/zinc/66/03/99/574660399.db2.gz MJCGFFWDNOPMCC-AWEZNQCLSA-N 1 2 318.461 3.462 20 10 DGCDLO Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(Cl)c2O)o1 ZINC000741262236 574954626 /nfs/dbraw/zinc/95/46/26/574954626.db2.gz UWHKFWHQXXCXOL-GFCCVEGCSA-N 1 2 316.184 3.424 20 10 DGCDLO CCC/C=C/C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000729359932 575237934 /nfs/dbraw/zinc/23/79/34/575237934.db2.gz MPDIGDGZFLQKGE-AATRIKPKSA-N 1 2 302.418 3.137 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1 ZINC000728196874 576167908 /nfs/dbraw/zinc/16/79/08/576167908.db2.gz PXCRECPCJSIPIV-CYBMUJFWSA-N 1 2 311.381 3.171 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1 ZINC000728196874 576167912 /nfs/dbraw/zinc/16/79/12/576167912.db2.gz PXCRECPCJSIPIV-CYBMUJFWSA-N 1 2 311.381 3.171 20 10 DGCDLO C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000854232448 620786913 /nfs/dbraw/zinc/78/69/13/620786913.db2.gz QDEZLMZXQQHKJK-JGVFFNPUSA-N 1 2 321.646 3.067 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840958107 618634395 /nfs/dbraw/zinc/63/43/95/618634395.db2.gz NOCJKOSOCYOZGS-GDBMZVCRSA-N 1 2 303.789 3.354 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840958107 618634397 /nfs/dbraw/zinc/63/43/97/618634397.db2.gz NOCJKOSOCYOZGS-GDBMZVCRSA-N 1 2 303.789 3.354 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840958379 618635136 /nfs/dbraw/zinc/63/51/36/618635136.db2.gz QEHOVOQHHRAPAK-WFASDCNBSA-N 1 2 321.779 3.493 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840958379 618635137 /nfs/dbraw/zinc/63/51/37/618635137.db2.gz QEHOVOQHHRAPAK-WFASDCNBSA-N 1 2 321.779 3.493 20 10 DGCDLO COc1cc(C)cc(CNc2ccc(N3CCCC3)c[nH+]2)c1O ZINC000894200350 618727567 /nfs/dbraw/zinc/72/75/67/618727567.db2.gz RBFKEWBTCZCRAZ-UHFFFAOYSA-N 1 2 313.401 3.317 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+]Cc2nc(C(F)F)no2)cc1 ZINC000895729448 618824363 /nfs/dbraw/zinc/82/43/63/618824363.db2.gz PMENYCKFYNBHRA-UHFFFAOYSA-N 1 2 310.348 3.143 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]CCc1cccc2c1OCCO2 ZINC000897209334 619029282 /nfs/dbraw/zinc/02/92/82/619029282.db2.gz BNIVNQOXCMMRIE-UHFFFAOYSA-N 1 2 319.788 3.149 20 10 DGCDLO CC[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc(Cl)c1O ZINC000841763019 619166529 /nfs/dbraw/zinc/16/65/29/619166529.db2.gz TUQFCZOXWIRHNU-GXFFZTMASA-N 1 2 318.795 3.426 20 10 DGCDLO C[C@@]1(Br)C[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000898215796 619222378 /nfs/dbraw/zinc/22/23/78/619222378.db2.gz QYAKPMISRWYEOD-BXKDBHETSA-N 1 2 304.615 3.309 20 10 DGCDLO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]1C ZINC000898218803 619222709 /nfs/dbraw/zinc/22/27/09/619222709.db2.gz PRPQGFOJXJCGQH-SUNKGSAMSA-N 1 2 311.809 3.113 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1cccc(Cl)c1O ZINC000903388225 619770328 /nfs/dbraw/zinc/77/03/28/619770328.db2.gz LYQLPJZYPUJOLT-UONOGXRCSA-N 1 2 310.825 3.097 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000922520847 621050417 /nfs/dbraw/zinc/05/04/17/621050417.db2.gz FTHCCNVIDWBIQF-UKRRQHHQSA-N 1 2 309.287 3.232 20 10 DGCDLO CCCOc1ccc(C[NH2+]Cc2noc3c2COCC3)cc1C ZINC000923019251 621147916 /nfs/dbraw/zinc/14/79/16/621147916.db2.gz RLBYGKYVSVMREV-UHFFFAOYSA-N 1 2 316.401 3.134 20 10 DGCDLO CCc1nc(C)c(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)o1 ZINC000858168976 621161139 /nfs/dbraw/zinc/16/11/39/621161139.db2.gz SVABTNPHAGUTKM-UHFFFAOYSA-N 1 2 309.360 3.179 20 10 DGCDLO COc1ccc(N2CC[C@H](CNc3[nH+]cccc3OC)C2)cc1 ZINC000858582185 621206585 /nfs/dbraw/zinc/20/65/85/621206585.db2.gz NXVFYQNQWHEZPT-CQSZACIVSA-N 1 2 313.401 3.037 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000753574057 621449916 /nfs/dbraw/zinc/44/99/16/621449916.db2.gz APYKVVSGGNRARY-GFCCVEGCSA-N 1 2 313.800 3.433 20 10 DGCDLO C[C@H]1C[C@H](CC[NH2+]Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000753584958 621451292 /nfs/dbraw/zinc/45/12/92/621451292.db2.gz CHBUOWKDFMUUJA-WDEREUQCSA-N 1 2 301.789 3.480 20 10 DGCDLO Cc1ncc(C[N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)s1 ZINC000862228954 621564297 /nfs/dbraw/zinc/56/42/97/621564297.db2.gz LMWVMHAGQUUYEK-UHFFFAOYSA-N 1 2 311.401 3.428 20 10 DGCDLO Cc1ncc(C[N@H+](C)Cc2cc(F)c(N(C)C)cc2F)s1 ZINC000862228954 621564299 /nfs/dbraw/zinc/56/42/99/621564299.db2.gz LMWVMHAGQUUYEK-UHFFFAOYSA-N 1 2 311.401 3.428 20 10 DGCDLO CC[N@H+](Cc1nc(C)c[nH]1)Cc1cc(Br)ccc1O ZINC000862250891 621567929 /nfs/dbraw/zinc/56/79/29/621567929.db2.gz RNWCQVWDBZEXNC-UHFFFAOYSA-N 1 2 324.222 3.208 20 10 DGCDLO CC[N@@H+](Cc1nc(C)c[nH]1)Cc1cc(Br)ccc1O ZINC000862250891 621567933 /nfs/dbraw/zinc/56/79/33/621567933.db2.gz RNWCQVWDBZEXNC-UHFFFAOYSA-N 1 2 324.222 3.208 20 10 DGCDLO CCOCCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756343383 621629766 /nfs/dbraw/zinc/62/97/66/621629766.db2.gz YJYKRCQRAHGJNE-VIFPVBQESA-N 1 2 320.202 3.371 20 10 DGCDLO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756461537 621640173 /nfs/dbraw/zinc/64/01/73/621640173.db2.gz UIBILNSCGGZCJT-BZNIZROVSA-N 1 2 307.340 3.363 20 10 DGCDLO CO[C@@H](C)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756526980 621644869 /nfs/dbraw/zinc/64/48/69/621644869.db2.gz IPHCPXLLRDQBMP-DTWKUNHWSA-N 1 2 320.202 3.369 20 10 DGCDLO COCC[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756528745 621645378 /nfs/dbraw/zinc/64/53/78/621645378.db2.gz WOVKGYLXFVFGGF-DTWKUNHWSA-N 1 2 320.202 3.369 20 10 DGCDLO COc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756563014 621649147 /nfs/dbraw/zinc/64/91/47/621649147.db2.gz KXGMJTGNTKLQFY-QLJPJBMISA-N 1 2 323.339 3.063 20 10 DGCDLO CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756657654 621656582 /nfs/dbraw/zinc/65/65/82/621656582.db2.gz FAECDOMEWUBJJE-DTWKUNHWSA-N 1 2 320.202 3.105 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1cccc(Cl)c1O ZINC000866463949 622122437 /nfs/dbraw/zinc/12/24/37/622122437.db2.gz REZLSYOKJFSGQM-JWYUURKGSA-N 1 2 311.731 3.398 20 10 DGCDLO Oc1cccc(Cl)c1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000771928035 622817411 /nfs/dbraw/zinc/81/74/11/622817411.db2.gz LEFLTLDGMDRSHD-UHFFFAOYSA-N 1 2 316.832 3.363 20 10 DGCDLO CCCOc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1C ZINC000873121079 623040951 /nfs/dbraw/zinc/04/09/51/623040951.db2.gz CHYKXJQKGPEVTF-UHFFFAOYSA-N 1 2 316.449 3.420 20 10 DGCDLO CC1(C)CCc2onc(C[NH2+]Cc3ccc4c(c3)CCO4)c2C1 ZINC000873175256 623060770 /nfs/dbraw/zinc/06/07/70/623060770.db2.gz GCZKQIJAPXWWFS-UHFFFAOYSA-N 1 2 312.413 3.414 20 10 DGCDLO Cc1cc(Br)cc(C[N@@H+]2CCOC(C)(C)C2)c1O ZINC000124549403 623157658 /nfs/dbraw/zinc/15/76/58/623157658.db2.gz AXOPTNWQVKZDOY-UHFFFAOYSA-N 1 2 314.223 3.074 20 10 DGCDLO Cc1cc(Br)cc(C[N@H+]2CCOC(C)(C)C2)c1O ZINC000124549403 623157661 /nfs/dbraw/zinc/15/76/61/623157661.db2.gz AXOPTNWQVKZDOY-UHFFFAOYSA-N 1 2 314.223 3.074 20 10 DGCDLO CSCC[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000125023945 623274988 /nfs/dbraw/zinc/27/49/88/623274988.db2.gz XTJSYTTXSFQAOU-VIFPVBQESA-N 1 2 304.253 3.386 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000775658739 623306236 /nfs/dbraw/zinc/30/62/36/623306236.db2.gz PUDSANLZFJWXAU-JTQLQIEISA-N 1 2 309.772 3.287 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000775658739 623306240 /nfs/dbraw/zinc/30/62/40/623306240.db2.gz PUDSANLZFJWXAU-JTQLQIEISA-N 1 2 309.772 3.287 20 10 DGCDLO Oc1ccc2c(c1)CC[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC000775666380 623310083 /nfs/dbraw/zinc/31/00/83/623310083.db2.gz XENPABRJKHGLTB-UHFFFAOYSA-N 1 2 303.789 3.352 20 10 DGCDLO Oc1ccc2c(c1)CC[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC000775666380 623310085 /nfs/dbraw/zinc/31/00/85/623310085.db2.gz XENPABRJKHGLTB-UHFFFAOYSA-N 1 2 303.789 3.352 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000775740312 623322261 /nfs/dbraw/zinc/32/22/61/623322261.db2.gz UOZUCRCNKUMEIE-NEPJUHHUSA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000775740312 623322269 /nfs/dbraw/zinc/32/22/69/623322269.db2.gz UOZUCRCNKUMEIE-NEPJUHHUSA-N 1 2 313.800 3.433 20 10 DGCDLO CCO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775832776 623338692 /nfs/dbraw/zinc/33/86/92/623338692.db2.gz BOZMGXXTDFMTIV-STQMWFEESA-N 1 2 318.421 3.084 20 10 DGCDLO C[C@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)c1cccs1 ZINC000776209107 623397244 /nfs/dbraw/zinc/39/72/44/623397244.db2.gz MUEXRBHRVFHABB-AWEZNQCLSA-N 1 2 315.797 3.244 20 10 DGCDLO CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CCOCC1 ZINC000776231906 623400296 /nfs/dbraw/zinc/40/02/96/623400296.db2.gz KPAQICLTCKFCBY-AWEZNQCLSA-N 1 2 301.789 3.480 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2O)c(OC)c1 ZINC000876535870 623637372 /nfs/dbraw/zinc/63/73/72/623637372.db2.gz RVPYVGPPHUZBDY-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2O)c(OC)c1 ZINC000876535870 623637378 /nfs/dbraw/zinc/63/73/78/623637378.db2.gz RVPYVGPPHUZBDY-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO CC(C)Oc1ncccc1C[NH2+]Cc1ccc(F)c(F)c1O ZINC000876873854 623733364 /nfs/dbraw/zinc/73/33/64/623733364.db2.gz SHXIFECDFCRHDS-UHFFFAOYSA-N 1 2 308.328 3.142 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@H]1F ZINC000779148221 623735234 /nfs/dbraw/zinc/73/52/34/623735234.db2.gz GYBCNLOWEXVILV-JOYOIKCWSA-N 1 2 302.187 3.335 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1F ZINC000779148221 623735239 /nfs/dbraw/zinc/73/52/39/623735239.db2.gz GYBCNLOWEXVILV-JOYOIKCWSA-N 1 2 302.187 3.335 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+]Cc2nnc(C)s2)cc1F ZINC000780793162 623985754 /nfs/dbraw/zinc/98/57/54/623985754.db2.gz KPONYAWNRLPECF-UHFFFAOYSA-N 1 2 308.426 3.122 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000781896037 624166754 /nfs/dbraw/zinc/16/67/54/624166754.db2.gz GMJHFZOKHPYCSJ-MNOVXSKESA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000781896037 624166756 /nfs/dbraw/zinc/16/67/56/624166756.db2.gz GMJHFZOKHPYCSJ-MNOVXSKESA-N 1 2 314.223 3.072 20 10 DGCDLO Fc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ncc[nH]2)cc1 ZINC000783236868 624328293 /nfs/dbraw/zinc/32/82/93/624328293.db2.gz KGRQGNYTMKFYFQ-GOSISDBHSA-N 1 2 323.371 3.363 20 10 DGCDLO COc1cnccc1[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000783743786 624390391 /nfs/dbraw/zinc/39/03/91/624390391.db2.gz JWYVLDVVWIOJCT-VIFPVBQESA-N 1 2 310.756 3.439 20 10 DGCDLO CCOc1ccc([N@H+](CC[C@@H]2CCOC2=O)CC2CC2)cc1 ZINC000879117223 624431151 /nfs/dbraw/zinc/43/11/51/624431151.db2.gz LWJGXBMGPRHJKZ-OAHLLOKOSA-N 1 2 303.402 3.255 20 10 DGCDLO CCOc1ccc([N@@H+](CC[C@@H]2CCOC2=O)CC2CC2)cc1 ZINC000879117223 624431153 /nfs/dbraw/zinc/43/11/53/624431153.db2.gz LWJGXBMGPRHJKZ-OAHLLOKOSA-N 1 2 303.402 3.255 20 10 DGCDLO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000785990113 624775403 /nfs/dbraw/zinc/77/54/03/624775403.db2.gz ZAUGHONHFSDMJY-ISTVAULSSA-N 1 2 301.789 3.166 20 10 DGCDLO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000785990113 624775405 /nfs/dbraw/zinc/77/54/05/624775405.db2.gz ZAUGHONHFSDMJY-ISTVAULSSA-N 1 2 301.789 3.166 20 10 DGCDLO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cc(F)cc(F)c1O ZINC000788610411 625227020 /nfs/dbraw/zinc/22/70/20/625227020.db2.gz LOLZXCZTHDKOOO-LLVKDONJSA-N 1 2 311.372 3.264 20 10 DGCDLO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790956133 625721494 /nfs/dbraw/zinc/72/14/94/625721494.db2.gz OHDKYFPGSCJGMT-RYUDHWBXSA-N 1 2 314.832 3.395 20 10 DGCDLO Cc1nnc([C@@H](C)[NH2+]Cc2c(O)ccc(Cl)c2F)s1 ZINC000790986247 625731572 /nfs/dbraw/zinc/73/15/72/625731572.db2.gz KPENUTJAGSDZOU-ZCFIWIBFSA-N 1 2 301.774 3.195 20 10 DGCDLO COCCc1cc[nH+]c(N[C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000797046606 626107874 /nfs/dbraw/zinc/10/78/74/626107874.db2.gz XSSHSZDGDPIBBF-JTQLQIEISA-N 1 2 308.328 3.427 20 10 DGCDLO Cc1cc(Br)cc(C[NH2+]C2(C(F)F)CC2)c1O ZINC000800542482 626366994 /nfs/dbraw/zinc/36/69/94/626366994.db2.gz HGTIMUNDFULRDH-UHFFFAOYSA-N 1 2 306.150 3.350 20 10 DGCDLO CC[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cccc(Cl)c1O ZINC000806139912 626701727 /nfs/dbraw/zinc/70/17/27/626701727.db2.gz SHJBMRTVBSBTEF-SWLSCSKDSA-N 1 2 313.825 3.282 20 10 DGCDLO CC[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1cccc(Cl)c1O ZINC000806178945 626704955 /nfs/dbraw/zinc/70/49/55/626704955.db2.gz MEMXDYBZDIQUKW-CJNGLKHVSA-N 1 2 320.820 3.257 20 10 DGCDLO CSCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000134908014 626891219 /nfs/dbraw/zinc/89/12/19/626891219.db2.gz GRYDWOVCUFXEQV-SSDOTTSWSA-N 1 2 308.216 3.307 20 10 DGCDLO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(Cl)cc(F)c4O)[C@H]1[C@H]3C2 ZINC000809698246 626937770 /nfs/dbraw/zinc/93/77/70/626937770.db2.gz WRJGPBGQFTXCCA-BUEXFPSZSA-N 1 2 311.784 3.040 20 10 DGCDLO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(Cl)cc(F)c4O)[C@H]1[C@H]3C2 ZINC000809698246 626937771 /nfs/dbraw/zinc/93/77/71/626937771.db2.gz WRJGPBGQFTXCCA-BUEXFPSZSA-N 1 2 311.784 3.040 20 10 DGCDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2c(O)cccc2F)s1 ZINC000886629538 627176533 /nfs/dbraw/zinc/17/65/33/627176533.db2.gz HRWDXTVXBZMKQD-DTWKUNHWSA-N 1 2 324.377 3.186 20 10 DGCDLO Cn1ncc2ccc(C[NH2+]Cc3cc(Cl)cc(F)c3O)cc21 ZINC000812771491 627418466 /nfs/dbraw/zinc/41/84/66/627418466.db2.gz WBRTZQJRAWDOKA-UHFFFAOYSA-N 1 2 319.767 3.361 20 10 DGCDLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)ccc1N(C)C ZINC000815055754 627619778 /nfs/dbraw/zinc/61/97/78/627619778.db2.gz MIEVLLJEYZSRRZ-IUODEOHRSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)ccc1N(C)C ZINC000815055754 627619781 /nfs/dbraw/zinc/61/97/81/627619781.db2.gz MIEVLLJEYZSRRZ-IUODEOHRSA-N 1 2 316.367 3.213 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1O ZINC000815293640 627653874 /nfs/dbraw/zinc/65/38/74/627653874.db2.gz KIKDCPXHJUIYHL-INIZCTEOSA-N 1 2 321.392 3.125 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c1O ZINC000815293640 627653877 /nfs/dbraw/zinc/65/38/77/627653877.db2.gz KIKDCPXHJUIYHL-INIZCTEOSA-N 1 2 321.392 3.125 20 10 DGCDLO C[C@H](c1cc(F)cc(F)c1O)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753231 627788299 /nfs/dbraw/zinc/78/82/99/627788299.db2.gz FJDOQGAWAXHQCB-SNVBAGLBSA-N 1 2 320.339 3.208 20 10 DGCDLO C[C@H](c1cc(F)cc(F)c1O)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753231 627788302 /nfs/dbraw/zinc/78/83/02/627788302.db2.gz FJDOQGAWAXHQCB-SNVBAGLBSA-N 1 2 320.339 3.208 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1cc(F)cc(F)c1O ZINC000927053126 628002808 /nfs/dbraw/zinc/00/28/08/628002808.db2.gz ALPARMHFODZQRJ-NKBRHBOISA-N 1 2 313.344 3.004 20 10 DGCDLO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(Cl)c1O ZINC000827733790 628986381 /nfs/dbraw/zinc/98/63/81/628986381.db2.gz OHOJNGWSMLSTKV-BLLLJJGKSA-N 1 2 305.805 3.300 20 10 DGCDLO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000827733921 628986679 /nfs/dbraw/zinc/98/66/79/628986679.db2.gz RAWDONDLZSAAJH-BZNIZROVSA-N 1 2 323.795 3.439 20 10 DGCDLO CC(C)C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)n1cc[nH+]c1 ZINC000827960290 629008164 /nfs/dbraw/zinc/00/81/64/629008164.db2.gz NBXKIDBRRDXXPH-ZFWWWQNUSA-N 1 2 301.390 3.053 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c1O ZINC000830843579 629311137 /nfs/dbraw/zinc/31/11/37/629311137.db2.gz JSGVWMHEUYETNF-GFCCVEGCSA-N 1 2 321.392 3.267 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c1O ZINC000830843579 629311139 /nfs/dbraw/zinc/31/11/39/629311139.db2.gz JSGVWMHEUYETNF-GFCCVEGCSA-N 1 2 321.392 3.267 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOCC23CCCCC3)c1O ZINC000832175010 629447955 /nfs/dbraw/zinc/44/79/55/629447955.db2.gz GTBTWYDCZPJKTA-UHFFFAOYSA-N 1 2 321.392 3.269 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOCC23CCCCC3)c1O ZINC000832175010 629447957 /nfs/dbraw/zinc/44/79/57/629447957.db2.gz GTBTWYDCZPJKTA-UHFFFAOYSA-N 1 2 321.392 3.269 20 10 DGCDLO CC(C)OC(=O)[C@H](C)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835028166 629829286 /nfs/dbraw/zinc/82/92/86/629829286.db2.gz JMMVZBIKRGXCFF-LZNQSLFOSA-N 1 2 304.434 3.038 20 10 DGCDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835028166 629829289 /nfs/dbraw/zinc/82/92/89/629829289.db2.gz JMMVZBIKRGXCFF-LZNQSLFOSA-N 1 2 304.434 3.038 20 10 DGCDLO COCC[N@H+](Cc1ccccn1)Cc1c(O)cc(C)cc1Cl ZINC000840946557 630381905 /nfs/dbraw/zinc/38/19/05/630381905.db2.gz RFFIFLLODGITSV-UHFFFAOYSA-N 1 2 320.820 3.398 20 10 DGCDLO COCC[N@@H+](Cc1ccccn1)Cc1c(O)cc(C)cc1Cl ZINC000840946557 630381906 /nfs/dbraw/zinc/38/19/06/630381906.db2.gz RFFIFLLODGITSV-UHFFFAOYSA-N 1 2 320.820 3.398 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840953477 630384296 /nfs/dbraw/zinc/38/42/96/630384296.db2.gz RIKVEGGHAYRKIK-UHFFFAOYSA-N 1 2 321.783 3.354 20 10 DGCDLO COc1cccc(C[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c1O ZINC000840957009 630384876 /nfs/dbraw/zinc/38/48/76/630384876.db2.gz GUCWQLJQJQWDIN-LBPRGKRZSA-N 1 2 321.417 3.095 20 10 DGCDLO COc1cccc(C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c1O ZINC000840957009 630384879 /nfs/dbraw/zinc/38/48/79/630384879.db2.gz GUCWQLJQJQWDIN-LBPRGKRZSA-N 1 2 321.417 3.095 20 10 DGCDLO CC(C)(C[NH2+]Cc1cc(Cl)cc(F)c1O)OCC1CC1 ZINC000840960891 630386360 /nfs/dbraw/zinc/38/63/60/630386360.db2.gz XETJFTAZQIADEO-UHFFFAOYSA-N 1 2 301.789 3.480 20 10 DGCDLO COCC1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000840961643 630387532 /nfs/dbraw/zinc/38/75/32/630387532.db2.gz CMNMSVXFKHPFLU-UHFFFAOYSA-N 1 2 301.789 3.480 20 10 DGCDLO Cc1cc(O)c(C[NH2+]Cc2nnc(C3CC3)s2)c(Cl)c1 ZINC000840973813 630389582 /nfs/dbraw/zinc/38/95/82/630389582.db2.gz VSXUCSGBQDMVHQ-UHFFFAOYSA-N 1 2 309.822 3.373 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000844909013 630975452 /nfs/dbraw/zinc/97/54/52/630975452.db2.gz ZLOOPHQVZJBERO-CYBMUJFWSA-N 1 2 306.768 3.311 20 10 DGCDLO Cc1cc(CNC(=O)NCc2cc(Cl)ccc2O)cc(C)[nH+]1 ZINC000845265954 631157469 /nfs/dbraw/zinc/15/74/69/631157469.db2.gz HYCBQMAIAKIIEL-UHFFFAOYSA-N 1 2 319.792 3.057 20 10 DGCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@@](C)(O)c1ccccc1 ZINC000846039447 631207564 /nfs/dbraw/zinc/20/75/64/631207564.db2.gz SUFCXKTYRVIKFJ-SJKOYZFVSA-N 1 2 305.805 3.431 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000846121333 631211068 /nfs/dbraw/zinc/21/10/68/631211068.db2.gz YJOJTEDGKYYICS-NSHDSACASA-N 1 2 302.187 3.397 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](F)C2)c1 ZINC000846121333 631211069 /nfs/dbraw/zinc/21/10/69/631211069.db2.gz YJOJTEDGKYYICS-NSHDSACASA-N 1 2 302.187 3.397 20 10 DGCDLO COc1ccnc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1F ZINC000850536776 632186329 /nfs/dbraw/zinc/18/63/29/632186329.db2.gz JVEXFALIWBJVEJ-QMMMGPOBSA-N 1 2 312.291 3.064 20 10 DGCDLO CC[C@H]([NH2+]CCc1cncc(C)n1)c1cccc(Cl)c1O ZINC000850549633 632188962 /nfs/dbraw/zinc/18/89/62/632188962.db2.gz IQNCLSTYNTWWDE-HNNXBMFYSA-N 1 2 305.809 3.427 20 10 DGCDLO CC(C)[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000708999827 660923734 /nfs/dbraw/zinc/92/37/34/660923734.db2.gz HWLHVMYWXBENJM-AWEZNQCLSA-N 1 2 314.223 3.012 20 10 DGCDLO CC(C)[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC000708999827 660923737 /nfs/dbraw/zinc/92/37/37/660923737.db2.gz HWLHVMYWXBENJM-AWEZNQCLSA-N 1 2 314.223 3.012 20 10 DGCDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792822270 660986542 /nfs/dbraw/zinc/98/65/42/660986542.db2.gz JNLWGFJDSIMINB-NEPJUHHUSA-N 1 2 316.367 3.381 20 10 DGCDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792822270 660986545 /nfs/dbraw/zinc/98/65/45/660986545.db2.gz JNLWGFJDSIMINB-NEPJUHHUSA-N 1 2 316.367 3.381 20 10 DGCDLO OCC[C@H]1CCCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000793609147 661049549 /nfs/dbraw/zinc/04/95/49/661049549.db2.gz OSHOKYTVYVLGOR-CYBMUJFWSA-N 1 2 301.789 3.312 20 10 DGCDLO OCC[C@H]1CCCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000793609147 661049550 /nfs/dbraw/zinc/04/95/50/661049550.db2.gz OSHOKYTVYVLGOR-CYBMUJFWSA-N 1 2 301.789 3.312 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000794800528 661105594 /nfs/dbraw/zinc/10/55/94/661105594.db2.gz DGPZUUFAIYHCOL-SFHVURJKSA-N 1 2 321.428 3.058 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000795063294 661125129 /nfs/dbraw/zinc/12/51/29/661125129.db2.gz BYENFSUDGKSDNM-AWEZNQCLSA-N 1 2 316.367 3.294 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000795063294 661125131 /nfs/dbraw/zinc/12/51/31/661125131.db2.gz BYENFSUDGKSDNM-AWEZNQCLSA-N 1 2 316.367 3.294 20 10 DGCDLO CSCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715744706 661214105 /nfs/dbraw/zinc/21/41/05/661214105.db2.gz IOWDSUNPXCUZHZ-UHFFFAOYSA-N 1 2 308.216 3.137 20 10 DGCDLO Oc1c(Cl)cccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000158022002 659132947 /nfs/dbraw/zinc/13/29/47/659132947.db2.gz OWAXJMGWXDCWCL-UHFFFAOYSA-N 1 2 302.805 3.368 20 10 DGCDLO CO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)C1(C)C ZINC000227830032 659165453 /nfs/dbraw/zinc/16/54/53/659165453.db2.gz CDVGKJBIKDFXNC-VXGBXAGGSA-N 1 2 314.223 3.058 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]C1Cc2ccccc2C1 ZINC000231032237 659363804 /nfs/dbraw/zinc/36/38/04/659363804.db2.gz TVZXALVBRUUDPF-UHFFFAOYSA-N 1 2 318.214 3.412 20 10 DGCDLO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O ZINC000063191306 659370421 /nfs/dbraw/zinc/37/04/21/659370421.db2.gz JOHDIZRBJDHLHW-TVQRCGJNSA-N 1 2 303.233 3.401 20 10 DGCDLO COc1ccccc1C[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000194805036 662173792 /nfs/dbraw/zinc/17/37/92/662173792.db2.gz HAJIQRMVNDKJJQ-UHFFFAOYSA-N 1 2 317.360 3.375 20 10 DGCDLO COc1ccccc1C[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000194805036 662173795 /nfs/dbraw/zinc/17/37/95/662173795.db2.gz HAJIQRMVNDKJJQ-UHFFFAOYSA-N 1 2 317.360 3.375 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000092975015 662342272 /nfs/dbraw/zinc/34/22/72/662342272.db2.gz DDDDEVUYBNDTLC-LJQANCHMSA-N 1 2 314.404 3.465 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000092975015 662342275 /nfs/dbraw/zinc/34/22/75/662342275.db2.gz DDDDEVUYBNDTLC-LJQANCHMSA-N 1 2 314.404 3.465 20 10 DGCDLO COc1ccc(CNc2ccc([NH+](C)C)cc2C)c(O)c1OC ZINC001334916721 1178827192 /nfs/dbraw/zinc/82/71/92/1178827192.db2.gz BRQDEKKAEGOVRG-UHFFFAOYSA-N 1 2 316.401 3.396 20 10 DGCDLO Nc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC001336116936 1178995201 /nfs/dbraw/zinc/99/52/01/1178995201.db2.gz IIUNTKFKWCMTDL-KRWDZBQOSA-N 1 2 304.340 3.121 20 10 DGCDLO Nc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC001336116936 1178995204 /nfs/dbraw/zinc/99/52/04/1178995204.db2.gz IIUNTKFKWCMTDL-KRWDZBQOSA-N 1 2 304.340 3.121 20 10 DGCDLO CN(C)c1ccc(NCc2c(O)cccc2Br)[nH+]c1 ZINC001461307722 1182793559 /nfs/dbraw/zinc/79/35/59/1182793559.db2.gz LSLXEWIGXSHOKD-UHFFFAOYSA-N 1 2 322.206 3.228 20 10 DGCDLO CN(C)C(=O)c1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC001461818906 1182861839 /nfs/dbraw/zinc/86/18/39/1182861839.db2.gz RQHPZRGPDNCNQI-UHFFFAOYSA-N 1 2 318.804 3.037 20 10 DGCDLO Oc1cc(Cl)ccc1C[NH+]1CCN(Cc2ccsc2)CC1 ZINC001462006024 1182893316 /nfs/dbraw/zinc/89/33/16/1182893316.db2.gz ACABXTQKXAPVIL-UHFFFAOYSA-N 1 2 322.861 3.425 20 10 DGCDLO Oc1cc(Cl)ccc1CN1CC[NH+](Cc2ccsc2)CC1 ZINC001462006024 1182893322 /nfs/dbraw/zinc/89/33/22/1182893322.db2.gz ACABXTQKXAPVIL-UHFFFAOYSA-N 1 2 322.861 3.425 20 10 DGCDLO CN(C)CC[N@@H+](Cc1cccc(F)c1O)CC1CCCCC1 ZINC001462190931 1182920839 /nfs/dbraw/zinc/92/08/39/1182920839.db2.gz VWSDEGBAGWWPRY-UHFFFAOYSA-N 1 2 308.441 3.475 20 10 DGCDLO CN(C)CC[N@H+](Cc1cccc(F)c1O)CC1CCCCC1 ZINC001462190931 1182920844 /nfs/dbraw/zinc/92/08/44/1182920844.db2.gz VWSDEGBAGWWPRY-UHFFFAOYSA-N 1 2 308.441 3.475 20 10 DGCDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001462411618 1182949089 /nfs/dbraw/zinc/94/90/89/1182949089.db2.gz FCQPWRXZPWSRDE-ZDUSSCGKSA-N 1 2 312.404 3.420 20 10 DGCDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001462411618 1182949097 /nfs/dbraw/zinc/94/90/97/1182949097.db2.gz FCQPWRXZPWSRDE-ZDUSSCGKSA-N 1 2 312.404 3.420 20 10 DGCDLO Cn1c(C[NH2+]Cc2c(O)cccc2F)nc2ccc(Cl)cc21 ZINC001462586099 1182972919 /nfs/dbraw/zinc/97/29/19/1182972919.db2.gz CRFTZLZGEPMBPG-UHFFFAOYSA-N 1 2 319.767 3.361 20 10 DGCDLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1O ZINC001471194661 1183545387 /nfs/dbraw/zinc/54/53/87/1183545387.db2.gz NZQUJFOKULDGRV-AWEZNQCLSA-N 1 2 321.380 3.128 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC001473983952 1183844720 /nfs/dbraw/zinc/84/47/20/1183844720.db2.gz LCPUSQRWJBCXEV-CYBMUJFWSA-N 1 2 307.752 3.278 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC001474100694 1183867382 /nfs/dbraw/zinc/86/73/82/1183867382.db2.gz SXWCWBWEYZWQFH-KCPJHIHWSA-N 1 2 311.784 3.232 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001474100693 1183867409 /nfs/dbraw/zinc/86/74/09/1183867409.db2.gz SXWCWBWEYZWQFH-GLQYFDAESA-N 1 2 311.784 3.232 20 10 DGCDLO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001474239806 1183888449 /nfs/dbraw/zinc/88/84/49/1183888449.db2.gz IAZXBXNJGTYOFA-MRXNPFEDSA-N 1 2 320.795 3.461 20 10 DGCDLO O=C(NCc1c(O)ccc2ccccc21)c1cccc2[nH+]ccn21 ZINC001558554731 1189133167 /nfs/dbraw/zinc/13/31/67/1189133167.db2.gz VDFGSKODLQPWLV-UHFFFAOYSA-N 1 2 317.348 3.123 20 10 DGCDLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1CCCCc2cc(OC)ccc21 ZINC001559659569 1189227536 /nfs/dbraw/zinc/22/75/36/1189227536.db2.gz ROLAJGXIERVADR-GOEBONIOSA-N 1 2 303.402 3.037 20 10 DGCDLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CCCCc2cc(OC)ccc21 ZINC001559659569 1189227538 /nfs/dbraw/zinc/22/75/38/1189227538.db2.gz ROLAJGXIERVADR-GOEBONIOSA-N 1 2 303.402 3.037 20 10 DGCDLO Cn1ncc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)c1Cl ZINC001560815853 1189387241 /nfs/dbraw/zinc/38/72/41/1189387241.db2.gz RSAPOZOUUPKPKP-UHFFFAOYSA-N 1 2 318.852 3.306 20 10 DGCDLO Cn1ncc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)c1Cl ZINC001560815853 1189387249 /nfs/dbraw/zinc/38/72/49/1189387249.db2.gz RSAPOZOUUPKPKP-UHFFFAOYSA-N 1 2 318.852 3.306 20 10 DGCDLO COC(=O)[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)CC(C)C ZINC001560863577 1189395438 /nfs/dbraw/zinc/39/54/38/1189395438.db2.gz WYPZCRZCUSBJQU-LLVKDONJSA-N 1 2 317.788 3.110 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC001561008770 1189419524 /nfs/dbraw/zinc/41/95/24/1189419524.db2.gz IVAMXGSJVMXUFJ-NSHDSACASA-N 1 2 313.291 3.150 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC001561008770 1189419525 /nfs/dbraw/zinc/41/95/25/1189419525.db2.gz IVAMXGSJVMXUFJ-NSHDSACASA-N 1 2 313.291 3.150 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cn2ccsc2n1 ZINC001620750671 1191429530 /nfs/dbraw/zinc/42/95/30/1191429530.db2.gz JCYKOUHJVKCIDW-UHFFFAOYSA-N 1 2 311.769 3.184 20 10 DGCDLO COC(=O)c1sccc1C[NH2+]Cc1cccc(Cl)c1O ZINC001621560388 1193858744 /nfs/dbraw/zinc/85/87/44/1193858744.db2.gz MKUHGUJGOCABSG-UHFFFAOYSA-N 1 2 311.790 3.184 20 10 DGCDLO Oc1cccc(F)c1C[NH2+]Cc1ncc(Br)s1 ZINC001653131303 1195690697 /nfs/dbraw/zinc/69/06/97/1195690697.db2.gz IUSCDMLAWRWATQ-UHFFFAOYSA-N 1 2 317.183 3.040 20 10 DGCDLO Cc1cc(O)c(C[NH+]2CC(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001653252494 1195703996 /nfs/dbraw/zinc/70/39/96/1195703996.db2.gz FAZHOIBIISTWDH-UHFFFAOYSA-N 1 2 311.809 3.128 20 10 DGCDLO CC1(C)CO[C@H](CC[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001656960821 1196087260 /nfs/dbraw/zinc/08/72/60/1196087260.db2.gz VRIWYKNAHDOWKV-GFCCVEGCSA-N 1 2 301.789 3.480 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1COc2ccccc2C1 ZINC001657172162 1196115057 /nfs/dbraw/zinc/11/50/57/1196115057.db2.gz FYVFWRCRZCMPFF-ZDUSSCGKSA-N 1 2 307.752 3.278 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1cc(F)cnc1Cl ZINC001657456748 1196144160 /nfs/dbraw/zinc/14/41/60/1196144160.db2.gz ZTQVOUDZQGSUPB-UHFFFAOYSA-N 1 2 302.683 3.148 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1C=CCCC1 ZINC001657465537 1196145009 /nfs/dbraw/zinc/14/50/09/1196145009.db2.gz HSLDVKOPJSNAQH-NSHDSACASA-N 1 2 300.171 3.492 20 10 DGCDLO CCOCc1cc(C[NH2+][C@H](C)c2nnc(C)s2)ccc1OC ZINC001657755852 1196175477 /nfs/dbraw/zinc/17/54/77/1196175477.db2.gz HBEHQZOXMKFGLU-LLVKDONJSA-N 1 2 321.446 3.242 20 10 DGCDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2O)cc1 ZINC001658352323 1196246100 /nfs/dbraw/zinc/24/61/00/1196246100.db2.gz MXWUPUIJXXGJNM-UHFFFAOYSA-N 1 2 321.323 3.089 20 10 DGCDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2O)cc1 ZINC001658352323 1196246106 /nfs/dbraw/zinc/24/61/06/1196246106.db2.gz MXWUPUIJXXGJNM-UHFFFAOYSA-N 1 2 321.323 3.089 20 10 DGCDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001658831238 1196306594 /nfs/dbraw/zinc/30/65/94/1196306594.db2.gz VORIGRGHVXZXKA-LLVKDONJSA-N 1 2 305.324 3.454 20 10 DGCDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cc(F)c(F)cc1O ZINC001658831238 1196306595 /nfs/dbraw/zinc/30/65/95/1196306595.db2.gz VORIGRGHVXZXKA-LLVKDONJSA-N 1 2 305.324 3.454 20 10 DGCDLO COc1cc(C)c(C[N@@H+]2CC(C)(C)[C@H]2c2nccn2C)c(O)c1 ZINC001659259357 1196364245 /nfs/dbraw/zinc/36/42/45/1196364245.db2.gz RHZFXOUPRIPGDN-MRXNPFEDSA-N 1 2 315.417 3.026 20 10 DGCDLO COc1cc(C)c(C[N@H+]2CC(C)(C)[C@H]2c2nccn2C)c(O)c1 ZINC001659259357 1196364248 /nfs/dbraw/zinc/36/42/48/1196364248.db2.gz RHZFXOUPRIPGDN-MRXNPFEDSA-N 1 2 315.417 3.026 20 10 DGCDLO CCOCc1nc([C@@H](C)[NH2+]Cc2cc(C(C)C)ccc2O)no1 ZINC001659342139 1196373485 /nfs/dbraw/zinc/37/34/85/1196373485.db2.gz BDMMKIUZSOMVLA-GFCCVEGCSA-N 1 2 319.405 3.286 20 10 DGCDLO CN(C)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCCC1 ZINC001660805496 1196528134 /nfs/dbraw/zinc/52/81/34/1196528134.db2.gz VZSNHMAHPWLYRE-UHFFFAOYSA-N 1 2 300.805 3.149 20 10 DGCDLO CCOc1cccc(C[N@@H+]2CCc3nc(Cl)ccc3C2)c1O ZINC001203609005 1084362218 /nfs/dbraw/zinc/36/22/18/1084362218.db2.gz FVUNYALKUYBKHJ-UHFFFAOYSA-N 1 2 318.804 3.398 20 10 DGCDLO CCOc1cccc(C[N@H+]2CCc3nc(Cl)ccc3C2)c1O ZINC001203609005 1084362224 /nfs/dbraw/zinc/36/22/24/1084362224.db2.gz FVUNYALKUYBKHJ-UHFFFAOYSA-N 1 2 318.804 3.398 20 10 DGCDLO C[C@]1(F)CC[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1F ZINC001203636614 1084633311 /nfs/dbraw/zinc/63/33/11/1084633311.db2.gz YFYPSVCFFSSSLG-STQMWFEESA-N 1 2 320.177 3.427 20 10 DGCDLO C[C@]1(F)CC[N@@H+](Cc2cc(Br)ccc2O)C[C@@H]1F ZINC001203636614 1084633313 /nfs/dbraw/zinc/63/33/13/1084633313.db2.gz YFYPSVCFFSSSLG-STQMWFEESA-N 1 2 320.177 3.427 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCCC12CC2 ZINC001235056466 1088169924 /nfs/dbraw/zinc/16/99/24/1088169924.db2.gz ABWFTWCHLULEKB-UHFFFAOYSA-N 1 2 300.171 3.422 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCCC12CC2 ZINC001235056466 1088169931 /nfs/dbraw/zinc/16/99/31/1088169931.db2.gz ABWFTWCHLULEKB-UHFFFAOYSA-N 1 2 300.171 3.422 20 10 DGCDLO COCCC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237813044 1090326792 /nfs/dbraw/zinc/32/67/92/1090326792.db2.gz KCYMIHDQVGGUOH-UHFFFAOYSA-N 1 2 301.789 3.433 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC(CF)CC1 ZINC000715804160 1091009703 /nfs/dbraw/zinc/00/97/03/1091009703.db2.gz MWIGEXZEHPRARG-UHFFFAOYSA-N 1 2 320.177 3.475 20 10 DGCDLO CC[N@H+](Cc1c(Cl)c(C)nn1C)Cc1ccc(N(C)C)cc1 ZINC001205143397 1091111876 /nfs/dbraw/zinc/11/18/76/1091111876.db2.gz JNUXXKYAHBCPSF-UHFFFAOYSA-N 1 2 320.868 3.470 20 10 DGCDLO CC[N@@H+](Cc1c(Cl)c(C)nn1C)Cc1ccc(N(C)C)cc1 ZINC001205143397 1091111879 /nfs/dbraw/zinc/11/18/79/1091111879.db2.gz JNUXXKYAHBCPSF-UHFFFAOYSA-N 1 2 320.868 3.470 20 10 DGCDLO Cc1c(C[NH+]2CC3(C2)CC(F)(F)CO3)c2ccccc2n1C ZINC001138257944 1091126433 /nfs/dbraw/zinc/12/64/33/1091126433.db2.gz FBVNIIBPWWTEIQ-UHFFFAOYSA-N 1 2 306.356 3.097 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+]2CCCC(=O)CC2)c(OC)c1 ZINC001138386675 1091161475 /nfs/dbraw/zinc/16/14/75/1091161475.db2.gz SGBZQAKXSYWGPG-UHFFFAOYSA-N 1 2 304.434 3.096 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+]2CCCC(=O)CC2)c(OC)c1 ZINC001138386675 1091161477 /nfs/dbraw/zinc/16/14/77/1091161477.db2.gz SGBZQAKXSYWGPG-UHFFFAOYSA-N 1 2 304.434 3.096 20 10 DGCDLO Oc1cccc(F)c1C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC001137837921 1091209371 /nfs/dbraw/zinc/20/93/71/1091209371.db2.gz ZGJLDEBWHBQEOA-UHFFFAOYSA-N 1 2 314.404 3.239 20 10 DGCDLO CCC1CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139126615 1091456603 /nfs/dbraw/zinc/45/66/03/1091456603.db2.gz MJFIFOKMRGSAAJ-UHFFFAOYSA-N 1 2 301.386 3.429 20 10 DGCDLO C[N@H+](CCC(=O)c1ccccc1)Cc1c(O)cc(F)cc1F ZINC001140583761 1091920630 /nfs/dbraw/zinc/92/06/30/1091920630.db2.gz RSRGIHSMBYMFHL-UHFFFAOYSA-N 1 2 305.324 3.375 20 10 DGCDLO C[N@@H+](CCC(=O)c1ccccc1)Cc1c(O)cc(F)cc1F ZINC001140583761 1091920641 /nfs/dbraw/zinc/92/06/41/1091920641.db2.gz RSRGIHSMBYMFHL-UHFFFAOYSA-N 1 2 305.324 3.375 20 10 DGCDLO Cc1ccc(C[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001140953485 1092078267 /nfs/dbraw/zinc/07/82/67/1092078267.db2.gz ATGFAYHORNIRCG-KRWDZBQOSA-N 1 2 301.361 3.413 20 10 DGCDLO Cc1ccc(C[N@H+]2CCOC[C@H]2c2ccc(F)cc2)c(O)c1 ZINC001140953485 1092078272 /nfs/dbraw/zinc/07/82/72/1092078272.db2.gz ATGFAYHORNIRCG-KRWDZBQOSA-N 1 2 301.361 3.413 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2cnccc2C)C1 ZINC001141035178 1092115166 /nfs/dbraw/zinc/11/51/66/1092115166.db2.gz LFLHMUPOTCLLTI-UHFFFAOYSA-N 1 2 321.424 3.449 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2cnccc2C)C1 ZINC001141035178 1092115175 /nfs/dbraw/zinc/11/51/75/1092115175.db2.gz LFLHMUPOTCLLTI-UHFFFAOYSA-N 1 2 321.424 3.449 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC001142524991 1092493796 /nfs/dbraw/zinc/49/37/96/1092493796.db2.gz SGQNLFMWACSPOV-KRWDZBQOSA-N 1 2 305.324 3.244 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC001142524991 1092493804 /nfs/dbraw/zinc/49/38/04/1092493804.db2.gz SGQNLFMWACSPOV-KRWDZBQOSA-N 1 2 305.324 3.244 20 10 DGCDLO C[N@H+](Cc1nc2ccccc2o1)Cc1cc(F)c(F)cc1O ZINC001142526943 1092494429 /nfs/dbraw/zinc/49/44/29/1092494429.db2.gz CMSNLRJOJKMRQC-UHFFFAOYSA-N 1 2 304.296 3.444 20 10 DGCDLO C[N@@H+](Cc1nc2ccccc2o1)Cc1cc(F)c(F)cc1O ZINC001142526943 1092494440 /nfs/dbraw/zinc/49/44/40/1092494440.db2.gz CMSNLRJOJKMRQC-UHFFFAOYSA-N 1 2 304.296 3.444 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001142531446 1092497119 /nfs/dbraw/zinc/49/71/19/1092497119.db2.gz XRWDAUHXILWCGB-INIZCTEOSA-N 1 2 311.372 3.452 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001142531446 1092497125 /nfs/dbraw/zinc/49/71/25/1092497125.db2.gz XRWDAUHXILWCGB-INIZCTEOSA-N 1 2 311.372 3.452 20 10 DGCDLO [NH3+]C[C@H]1CCCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001206639006 1092868305 /nfs/dbraw/zinc/86/83/05/1092868305.db2.gz AJMYIKDGMBUKSV-SNVBAGLBSA-N 1 2 303.233 3.260 20 10 DGCDLO [NH3+]C[C@H]1CCCC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001206639006 1092868310 /nfs/dbraw/zinc/86/83/10/1092868310.db2.gz AJMYIKDGMBUKSV-SNVBAGLBSA-N 1 2 303.233 3.260 20 10 DGCDLO [NH3+]C[C@H]1CCCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001206639006 1092868317 /nfs/dbraw/zinc/86/83/17/1092868317.db2.gz AJMYIKDGMBUKSV-SNVBAGLBSA-N 1 2 303.233 3.260 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1n[nH]c3ccc(Cl)cc31)CC2 ZINC001209758624 1092908245 /nfs/dbraw/zinc/90/82/45/1092908245.db2.gz IFKFQIDQJASREL-UHFFFAOYSA-N 1 2 313.788 3.480 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1n[nH]c3ccc(Cl)cc31)CC2 ZINC001209758624 1092908254 /nfs/dbraw/zinc/90/82/54/1092908254.db2.gz IFKFQIDQJASREL-UHFFFAOYSA-N 1 2 313.788 3.480 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2cccc(C)n2)c1O ZINC000316474463 1095174317 /nfs/dbraw/zinc/17/43/17/1095174317.db2.gz VXDGFWWWDPBFNJ-UHFFFAOYSA-N 1 2 302.349 3.069 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2cccc(C)n2)c1O ZINC000316474463 1095174328 /nfs/dbraw/zinc/17/43/28/1095174328.db2.gz VXDGFWWWDPBFNJ-UHFFFAOYSA-N 1 2 302.349 3.069 20 10 DGCDLO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC001118855160 1096092712 /nfs/dbraw/zinc/09/27/12/1096092712.db2.gz AWLPTKOIGCPHLI-GFCCVEGCSA-N 1 2 322.206 3.045 20 10 DGCDLO CC[N@H+](CC(=O)OC)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248884834 1097110140 /nfs/dbraw/zinc/11/01/40/1097110140.db2.gz DKVPVCPGDHZONZ-UHFFFAOYSA-N 1 2 313.825 3.338 20 10 DGCDLO CC[N@@H+](CC(=O)OC)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248884834 1097110144 /nfs/dbraw/zinc/11/01/44/1097110144.db2.gz DKVPVCPGDHZONZ-UHFFFAOYSA-N 1 2 313.825 3.338 20 10 DGCDLO Oc1c(Cl)cccc1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001231909814 1097889094 /nfs/dbraw/zinc/88/90/94/1097889094.db2.gz JKPYEKJDHVSPJS-UHFFFAOYSA-N 1 2 317.763 3.436 20 10 DGCDLO CC(C)C(=O)N(C)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231913959 1097892416 /nfs/dbraw/zinc/89/24/16/1097892416.db2.gz VUQNZFXQFGINKI-UHFFFAOYSA-N 1 2 324.852 3.124 20 10 DGCDLO COc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232268247 1097988271 /nfs/dbraw/zinc/98/82/71/1097988271.db2.gz NKPAYHZGYJKBGJ-UHFFFAOYSA-N 1 2 305.761 3.276 20 10 DGCDLO COc1ccc2c(c1)C[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232268247 1097988276 /nfs/dbraw/zinc/98/82/76/1097988276.db2.gz NKPAYHZGYJKBGJ-UHFFFAOYSA-N 1 2 305.761 3.276 20 10 DGCDLO Cc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233079425 1098220421 /nfs/dbraw/zinc/22/04/21/1098220421.db2.gz BNFGAEKRLULIIB-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233079425 1098220426 /nfs/dbraw/zinc/22/04/26/1098220426.db2.gz BNFGAEKRLULIIB-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO C[N@H+](Cc1cccc2c1OCO2)Cc1ccc(F)c(F)c1O ZINC001233079338 1098221273 /nfs/dbraw/zinc/22/12/73/1098221273.db2.gz AAFDDYHOAJVPHT-UHFFFAOYSA-N 1 2 307.296 3.031 20 10 DGCDLO C[N@@H+](Cc1cccc2c1OCO2)Cc1ccc(F)c(F)c1O ZINC001233079338 1098221276 /nfs/dbraw/zinc/22/12/76/1098221276.db2.gz AAFDDYHOAJVPHT-UHFFFAOYSA-N 1 2 307.296 3.031 20 10 DGCDLO COc1cccc(C[N@H+](C)Cc2ccc(F)c(F)c2O)c1OC ZINC001233078952 1098221565 /nfs/dbraw/zinc/22/15/65/1098221565.db2.gz PSUWIXCITGUAPO-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO COc1cccc(C[N@@H+](C)Cc2ccc(F)c(F)c2O)c1OC ZINC001233078952 1098221569 /nfs/dbraw/zinc/22/15/69/1098221569.db2.gz PSUWIXCITGUAPO-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO CCOc1ncc(Cl)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001233172973 1098245971 /nfs/dbraw/zinc/24/59/71/1098245971.db2.gz HRRVPKFLIUCIDV-UHFFFAOYSA-N 1 2 318.804 3.398 20 10 DGCDLO CCOc1ncc(Cl)cc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001233172973 1098245975 /nfs/dbraw/zinc/24/59/75/1098245975.db2.gz HRRVPKFLIUCIDV-UHFFFAOYSA-N 1 2 318.804 3.398 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1O ZINC001233287271 1098276767 /nfs/dbraw/zinc/27/67/67/1098276767.db2.gz FPIMMAJXRRRSNK-KBPBESRZSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1O ZINC001233287271 1098276772 /nfs/dbraw/zinc/27/67/72/1098276772.db2.gz FPIMMAJXRRRSNK-KBPBESRZSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c1O ZINC001233287787 1098277494 /nfs/dbraw/zinc/27/74/94/1098277494.db2.gz HLSZVBHVRYCVNM-OCCSQVGLSA-N 1 2 305.752 3.326 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)c1O ZINC001233287787 1098277498 /nfs/dbraw/zinc/27/74/98/1098277498.db2.gz HLSZVBHVRYCVNM-OCCSQVGLSA-N 1 2 305.752 3.326 20 10 DGCDLO Cc1cccc(N2CC[NH+](Cc3c(O)ccc(F)c3F)CC2)c1 ZINC001233331693 1098292814 /nfs/dbraw/zinc/29/28/14/1098292814.db2.gz HCLCCIBVXFDTPY-UHFFFAOYSA-N 1 2 318.367 3.301 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2O)CCC1=O ZINC001233415800 1098322766 /nfs/dbraw/zinc/32/27/66/1098322766.db2.gz ITCJEFUFGWXWAO-JTQLQIEISA-N 1 2 301.308 3.212 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCC1=O ZINC001233415800 1098322772 /nfs/dbraw/zinc/32/27/72/1098322772.db2.gz ITCJEFUFGWXWAO-JTQLQIEISA-N 1 2 301.308 3.212 20 10 DGCDLO Cc1nc2c(o1)CC[N@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233455305 1098340625 /nfs/dbraw/zinc/34/06/25/1098340625.db2.gz FIUAGZGUGSYBOH-UHFFFAOYSA-N 1 2 312.291 3.266 20 10 DGCDLO Cc1nc2c(o1)CC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233455305 1098340627 /nfs/dbraw/zinc/34/06/27/1098340627.db2.gz FIUAGZGUGSYBOH-UHFFFAOYSA-N 1 2 312.291 3.266 20 10 DGCDLO C[N@H+](Cc1cscn1)Cc1cccc(OC(F)(F)F)c1O ZINC001233767423 1098427566 /nfs/dbraw/zinc/42/75/66/1098427566.db2.gz BZIMVSIDCOIZDF-UHFFFAOYSA-N 1 2 318.320 3.379 20 10 DGCDLO C[N@@H+](Cc1cscn1)Cc1cccc(OC(F)(F)F)c1O ZINC001233767423 1098427568 /nfs/dbraw/zinc/42/75/68/1098427568.db2.gz BZIMVSIDCOIZDF-UHFFFAOYSA-N 1 2 318.320 3.379 20 10 DGCDLO CC1(C)[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3O)C[C@@H]21 ZINC001235069316 1098782772 /nfs/dbraw/zinc/78/27/72/1098782772.db2.gz QFARQWHBBMVGID-PHIMTYICSA-N 1 2 314.198 3.382 20 10 DGCDLO CC1(C)[C@@H]2C[N@H+](Cc3cc(Br)cc(F)c3O)C[C@@H]21 ZINC001235069316 1098782780 /nfs/dbraw/zinc/78/27/80/1098782780.db2.gz QFARQWHBBMVGID-PHIMTYICSA-N 1 2 314.198 3.382 20 10 DGCDLO Cc1ccnc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1Cl ZINC001235589683 1099093428 /nfs/dbraw/zinc/09/34/28/1099093428.db2.gz XJDMHVMXHUQWAP-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO Cc1ccnc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1Cl ZINC001235589683 1099093441 /nfs/dbraw/zinc/09/34/41/1099093441.db2.gz XJDMHVMXHUQWAP-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1c(O)cc(C)cc1Cl)CC(C)C ZINC001179868251 1099232060 /nfs/dbraw/zinc/23/20/60/1099232060.db2.gz ADVSEGAMAGXVBS-UHFFFAOYSA-N 1 2 313.825 3.375 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1c(O)cc(C)cc1Cl)CC(C)C ZINC001179868251 1099232069 /nfs/dbraw/zinc/23/20/69/1099232069.db2.gz ADVSEGAMAGXVBS-UHFFFAOYSA-N 1 2 313.825 3.375 20 10 DGCDLO Nc1ccc2c(c1)CC[N@@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001236105756 1099393747 /nfs/dbraw/zinc/39/37/47/1099393747.db2.gz MXPIOYZDWWSLHG-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO Nc1ccc2c(c1)CC[N@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001236105756 1099393757 /nfs/dbraw/zinc/39/37/57/1099393757.db2.gz MXPIOYZDWWSLHG-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO COc1ccc(C[NH+]2CCC3(CCOC3)CC2)c(O)c1Cl ZINC001236800541 1099792890 /nfs/dbraw/zinc/79/28/90/1099792890.db2.gz AEZKBPMWOROOQB-UHFFFAOYSA-N 1 2 311.809 3.057 20 10 DGCDLO CC[N@H+](Cc1cc(Cl)c(Cl)cc1O)[C@@H](C)C(=O)OC ZINC001236802313 1099796579 /nfs/dbraw/zinc/79/65/79/1099796579.db2.gz IXWBHOPGQANVKV-QMMMGPOBSA-N 1 2 306.189 3.082 20 10 DGCDLO CC[N@@H+](Cc1cc(Cl)c(Cl)cc1O)[C@@H](C)C(=O)OC ZINC001236802313 1099796586 /nfs/dbraw/zinc/79/65/86/1099796586.db2.gz IXWBHOPGQANVKV-QMMMGPOBSA-N 1 2 306.189 3.082 20 10 DGCDLO COC(=O)C1CC[NH+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237079582 1099957669 /nfs/dbraw/zinc/95/76/69/1099957669.db2.gz MNLPNGPSGRDHLO-UHFFFAOYSA-N 1 2 318.200 3.084 20 10 DGCDLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001237114933 1099976783 /nfs/dbraw/zinc/97/67/83/1099976783.db2.gz PNJWJQMMFWJYID-HZMBPMFUSA-N 1 2 317.307 3.044 20 10 DGCDLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001237114933 1099976788 /nfs/dbraw/zinc/97/67/88/1099976788.db2.gz PNJWJQMMFWJYID-HZMBPMFUSA-N 1 2 317.307 3.044 20 10 DGCDLO CC(C)[C@@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)CCO1 ZINC001237114862 1099978288 /nfs/dbraw/zinc/97/82/88/1099978288.db2.gz NOYURSVNSUEVEF-AWEZNQCLSA-N 1 2 319.323 3.148 20 10 DGCDLO CC(C)[C@@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CCO1 ZINC001237114862 1099978297 /nfs/dbraw/zinc/97/82/97/1099978297.db2.gz NOYURSVNSUEVEF-AWEZNQCLSA-N 1 2 319.323 3.148 20 10 DGCDLO C[N@H+](Cc1cnc2ccccn12)Cc1c(O)ccc(F)c1Cl ZINC001237119795 1099980391 /nfs/dbraw/zinc/98/03/91/1099980391.db2.gz FPAQYTQVZTXVEN-UHFFFAOYSA-N 1 2 319.767 3.464 20 10 DGCDLO C[N@@H+](Cc1cnc2ccccn12)Cc1c(O)ccc(F)c1Cl ZINC001237119795 1099980397 /nfs/dbraw/zinc/98/03/97/1099980397.db2.gz FPAQYTQVZTXVEN-UHFFFAOYSA-N 1 2 319.767 3.464 20 10 DGCDLO OCc1ccc2c(c1)CC[N@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001237122489 1099982921 /nfs/dbraw/zinc/98/29/21/1099982921.db2.gz VBNHMHOBVBXXEW-UHFFFAOYSA-N 1 2 321.779 3.235 20 10 DGCDLO CC(C)[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC[NH+](C)CC1 ZINC001237623464 1100192490 /nfs/dbraw/zinc/19/24/90/1100192490.db2.gz GPUXNVGVIZQDHK-UHFFFAOYSA-N 1 2 314.832 3.489 20 10 DGCDLO CC(C)[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC[NH+](C)CC1 ZINC001237623464 1100192496 /nfs/dbraw/zinc/19/24/96/1100192496.db2.gz GPUXNVGVIZQDHK-UHFFFAOYSA-N 1 2 314.832 3.489 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCC[C@H](F)C2)cc1Br ZINC001237679260 1100213047 /nfs/dbraw/zinc/21/30/47/1100213047.db2.gz ONJVFRVYWXCZCJ-NSHDSACASA-N 1 2 302.187 3.397 20 10 DGCDLO C[C@]1(CO)CCC[N@H+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237808101 1100253063 /nfs/dbraw/zinc/25/30/63/1100253063.db2.gz QPPYDUCNNZIDHE-HNNXBMFYSA-N 1 2 301.789 3.169 20 10 DGCDLO C[C@]1(CO)CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237808101 1100253069 /nfs/dbraw/zinc/25/30/69/1100253069.db2.gz QPPYDUCNNZIDHE-HNNXBMFYSA-N 1 2 301.789 3.169 20 10 DGCDLO C[N@H+](CC(=O)c1ccccc1)Cc1cc(F)c(Cl)cc1O ZINC001237950531 1100301936 /nfs/dbraw/zinc/30/19/36/1100301936.db2.gz WIFHKEVTUXLIGJ-UHFFFAOYSA-N 1 2 307.752 3.499 20 10 DGCDLO C[N@@H+](CC(=O)c1ccccc1)Cc1cc(F)c(Cl)cc1O ZINC001237950531 1100301943 /nfs/dbraw/zinc/30/19/43/1100301943.db2.gz WIFHKEVTUXLIGJ-UHFFFAOYSA-N 1 2 307.752 3.499 20 10 DGCDLO COc1cnc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(Cl)c1 ZINC001238495269 1100459062 /nfs/dbraw/zinc/45/90/62/1100459062.db2.gz VNQDCPULGYEGIS-UHFFFAOYSA-N 1 2 319.836 3.442 20 10 DGCDLO COc1cnc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(Cl)c1 ZINC001238495269 1100459064 /nfs/dbraw/zinc/45/90/64/1100459064.db2.gz VNQDCPULGYEGIS-UHFFFAOYSA-N 1 2 319.836 3.442 20 10 DGCDLO O=c1cc(-c2ccc3[nH+]ccn3c2)ccn1Cc1ccc(F)cc1 ZINC001240222046 1100901070 /nfs/dbraw/zinc/90/10/70/1100901070.db2.gz VNUBUXMGALKJNP-UHFFFAOYSA-N 1 2 319.339 3.350 20 10 DGCDLO Cc1cc(C[N@@H+]2CCn3nccc3C2)ccc1N1CCCCC1 ZINC001196410741 1101302747 /nfs/dbraw/zinc/30/27/47/1101302747.db2.gz UCYBXXORBULLIF-UHFFFAOYSA-N 1 2 310.445 3.198 20 10 DGCDLO Cc1cc(C[N@H+]2CCn3nccc3C2)ccc1N1CCCCC1 ZINC001196410741 1101302752 /nfs/dbraw/zinc/30/27/52/1101302752.db2.gz UCYBXXORBULLIF-UHFFFAOYSA-N 1 2 310.445 3.198 20 10 DGCDLO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1(C)C ZINC001201657073 1102687996 /nfs/dbraw/zinc/68/79/96/1102687996.db2.gz URLFXIFNVFOHOA-MCCGJVOXSA-N 1 2 301.789 3.334 20 10 DGCDLO Cc1cc(-c2cc(N3CCc4ccccc43)ncn2)c[nH+]c1N ZINC001245538038 1104110015 /nfs/dbraw/zinc/11/00/15/1104110015.db2.gz NLSLIOAHQGMQGA-UHFFFAOYSA-N 1 2 303.369 3.123 20 10 DGCDLO Oc1cc(F)cc(F)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001275306438 1104716246 /nfs/dbraw/zinc/71/62/46/1104716246.db2.gz IIMYUEBOOCTEGH-IRXDYDNUSA-N 1 2 322.399 3.262 20 10 DGCDLO Oc1cc(F)cc(F)c1CN1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001275306438 1104716255 /nfs/dbraw/zinc/71/62/55/1104716255.db2.gz IIMYUEBOOCTEGH-IRXDYDNUSA-N 1 2 322.399 3.262 20 10 DGCDLO CC[N@H+](Cc1ccccc1O)Cc1c(Cl)ccnc1OC ZINC001248795436 1105162800 /nfs/dbraw/zinc/16/28/00/1105162800.db2.gz DQGCEBXSFHVVMZ-UHFFFAOYSA-N 1 2 306.793 3.471 20 10 DGCDLO CC[N@@H+](Cc1ccccc1O)Cc1c(Cl)ccnc1OC ZINC001248795436 1105162803 /nfs/dbraw/zinc/16/28/03/1105162803.db2.gz DQGCEBXSFHVVMZ-UHFFFAOYSA-N 1 2 306.793 3.471 20 10 DGCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248883970 1105186724 /nfs/dbraw/zinc/18/67/24/1105186724.db2.gz UVPUTRXTERXXDM-SNVBAGLBSA-N 1 2 313.825 3.336 20 10 DGCDLO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c(O)cc1Br ZINC001250133966 1105450985 /nfs/dbraw/zinc/45/09/85/1105450985.db2.gz SJCDDBOIWONWFE-GHMZBOCLSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c(O)cc1Br ZINC001250133966 1105450988 /nfs/dbraw/zinc/45/09/88/1105450988.db2.gz SJCDDBOIWONWFE-GHMZBOCLSA-N 1 2 314.223 3.072 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cccnc1Cl)CCC2 ZINC001137427609 1105521614 /nfs/dbraw/zinc/52/16/14/1105521614.db2.gz PWZULRRHYSJHIX-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cccnc1Cl)CCC2 ZINC001137427609 1105521617 /nfs/dbraw/zinc/52/16/17/1105521617.db2.gz PWZULRRHYSJHIX-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC001308466094 1111431950 /nfs/dbraw/zinc/43/19/50/1111431950.db2.gz GZHWUSYYMJLJLM-HNNXBMFYSA-N 1 2 310.388 3.167 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCN1CC(F)(F)F ZINC001308607837 1111450390 /nfs/dbraw/zinc/45/03/90/1111450390.db2.gz PMDWXHKDLZOBCA-SNVBAGLBSA-N 1 2 322.758 3.114 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCN1CC(F)(F)F ZINC001308607837 1111450392 /nfs/dbraw/zinc/45/03/92/1111450392.db2.gz PMDWXHKDLZOBCA-SNVBAGLBSA-N 1 2 322.758 3.114 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC001308791759 1111475878 /nfs/dbraw/zinc/47/58/78/1111475878.db2.gz HDONVROJVITEHY-HOTGVXAUSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC001308791759 1111475879 /nfs/dbraw/zinc/47/58/79/1111475879.db2.gz HDONVROJVITEHY-HOTGVXAUSA-N 1 2 309.356 3.204 20 10 DGCDLO CCC[N@H+](Cc1ncn(-c2ccccc2)n1)Cc1ccccc1O ZINC000092798416 185341991 /nfs/dbraw/zinc/34/19/91/185341991.db2.gz NOSOCHMJVAACSF-UHFFFAOYSA-N 1 2 322.412 3.385 20 10 DGCDLO CCC[N@@H+](Cc1ncn(-c2ccccc2)n1)Cc1ccccc1O ZINC000092798416 185341992 /nfs/dbraw/zinc/34/19/92/185341992.db2.gz NOSOCHMJVAACSF-UHFFFAOYSA-N 1 2 322.412 3.385 20 10 DGCDLO C[C@@H]([NH2+]Cc1cn2c(n1)CCCC2)c1ccc(F)c(F)c1O ZINC000276957876 296136064 /nfs/dbraw/zinc/13/60/64/296136064.db2.gz RLDNQDPPNULZJJ-SNVBAGLBSA-N 1 2 307.344 3.054 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1cc(Cl)c(Cl)cc1O ZINC000278387450 296152387 /nfs/dbraw/zinc/15/23/87/296152387.db2.gz DKYPTLCKWUYJIG-SFYZADRCSA-N 1 2 315.204 3.239 20 10 DGCDLO C[C@@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000274956690 130276805 /nfs/dbraw/zinc/27/68/05/130276805.db2.gz IBCFFKDNQDTVMX-OAHLLOKOSA-N 1 2 321.428 3.184 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCn3cccc3[C@H]2C)c1O ZINC000184672831 286223165 /nfs/dbraw/zinc/22/31/65/286223165.db2.gz BZVGJHVQUHMKPX-LLVKDONJSA-N 1 2 306.793 3.433 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCn3cccc3[C@H]2C)c1O ZINC000184672831 286223167 /nfs/dbraw/zinc/22/31/67/286223167.db2.gz BZVGJHVQUHMKPX-LLVKDONJSA-N 1 2 306.793 3.433 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1cccc(Cl)c1O ZINC000287724837 288086376 /nfs/dbraw/zinc/08/63/76/288086376.db2.gz OSZUXXUOGSQDHH-FZMZJTMJSA-N 1 2 310.825 3.096 20 10 DGCDLO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000038013743 431853287 /nfs/dbraw/zinc/85/32/87/431853287.db2.gz UNXAHMRMTSXXSQ-SECBINFHSA-N 1 2 319.232 3.093 20 10 DGCDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(N2CCCCCC2)cc1 ZINC000090970077 431898770 /nfs/dbraw/zinc/89/87/70/431898770.db2.gz BUBGEBLXKNDSNF-OAHLLOKOSA-N 1 2 313.449 3.046 20 10 DGCDLO Cc1cccc(C[N@@H+]2CCSC[C@H]2c2nccs2)c1O ZINC000186666212 281216852 /nfs/dbraw/zinc/21/68/52/281216852.db2.gz KEYNFXUKQCBLCQ-ZDUSSCGKSA-N 1 2 306.456 3.447 20 10 DGCDLO Cc1cccc(C[N@H+]2CCSC[C@H]2c2nccs2)c1O ZINC000186666212 281216853 /nfs/dbraw/zinc/21/68/53/281216853.db2.gz KEYNFXUKQCBLCQ-ZDUSSCGKSA-N 1 2 306.456 3.447 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000191428864 432262830 /nfs/dbraw/zinc/26/28/30/432262830.db2.gz ZBKSFKKGSQYETH-CQSZACIVSA-N 1 2 311.740 3.351 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000191428864 432262832 /nfs/dbraw/zinc/26/28/32/432262832.db2.gz ZBKSFKKGSQYETH-CQSZACIVSA-N 1 2 311.740 3.351 20 10 DGCDLO Cc1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c(C)[nH+]1 ZINC000152412658 432332372 /nfs/dbraw/zinc/33/23/72/432332372.db2.gz BGMHLWCHNNMTJN-UHFFFAOYSA-N 1 2 316.380 3.225 20 10 DGCDLO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186541218 432605190 /nfs/dbraw/zinc/60/51/90/432605190.db2.gz VYZVAWLCCSCRKI-MPSDLYAZSA-N 1 2 310.246 3.117 20 10 DGCDLO CCOC(CC[NH2+][C@@H](C)c1ccc(F)c(F)c1O)OCC ZINC000276109682 432773681 /nfs/dbraw/zinc/77/36/81/432773681.db2.gz AMJDSLQOAAAFNW-JTQLQIEISA-N 1 2 303.349 3.110 20 10 DGCDLO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2O)[nH]1 ZINC000276851326 432826751 /nfs/dbraw/zinc/82/67/51/432826751.db2.gz BCRCNFGYIYTVNG-DTWKUNHWSA-N 1 2 310.348 3.324 20 10 DGCDLO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2O)[nH]1 ZINC000276851322 432826944 /nfs/dbraw/zinc/82/69/44/432826944.db2.gz BCRCNFGYIYTVNG-BDAKNGLRSA-N 1 2 310.348 3.324 20 10 DGCDLO C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(F)c(F)c1O ZINC000276904115 432826956 /nfs/dbraw/zinc/82/69/56/432826956.db2.gz JMNAULHAZZTKPP-JSGCOSHPSA-N 1 2 321.367 3.315 20 10 DGCDLO CCc1ccc([C@@H](O)C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000289625890 432969733 /nfs/dbraw/zinc/96/97/33/432969733.db2.gz WOOFPOHHJBHZBJ-INIZCTEOSA-N 1 2 305.805 3.431 20 10 DGCDLO CCCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC(F)F)c(O)c1 ZINC000289800529 432974410 /nfs/dbraw/zinc/97/44/10/432974410.db2.gz SKYJYHZRBNSZQM-ZDUSSCGKSA-N 1 2 315.360 3.037 20 10 DGCDLO CCCOc1ccc(C[N@H+]2CCOC[C@@H]2CC(F)F)c(O)c1 ZINC000289800529 432974414 /nfs/dbraw/zinc/97/44/14/432974414.db2.gz SKYJYHZRBNSZQM-ZDUSSCGKSA-N 1 2 315.360 3.037 20 10 DGCDLO CCC[NH+](CCC)c1ccc(CN[C@@]2(C)CCOC2=O)cc1 ZINC000289828350 432975383 /nfs/dbraw/zinc/97/53/83/432975383.db2.gz OCNVLZLWRLMLQR-SFHVURJKSA-N 1 2 304.434 3.108 20 10 DGCDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2O)n1 ZINC000289936488 432979053 /nfs/dbraw/zinc/97/90/53/432979053.db2.gz WVJFAJKCDATSRR-CYBMUJFWSA-N 1 2 307.781 3.464 20 10 DGCDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2O)n1 ZINC000289936488 432979056 /nfs/dbraw/zinc/97/90/56/432979056.db2.gz WVJFAJKCDATSRR-CYBMUJFWSA-N 1 2 307.781 3.464 20 10 DGCDLO C[C@@H]1C[C@H](CC[NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293636711 433810396 /nfs/dbraw/zinc/81/03/96/433810396.db2.gz NPCYLUCRXTVUGS-GHMZBOCLSA-N 1 2 301.789 3.480 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1noc2c1CCCC2 ZINC000367970795 434564765 /nfs/dbraw/zinc/56/47/65/434564765.db2.gz SBQUJQCPFKLOLV-UHFFFAOYSA-N 1 2 310.756 3.341 20 10 DGCDLO CN1Cc2ccccc2[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000359900221 337440523 /nfs/dbraw/zinc/44/05/23/337440523.db2.gz OMEOPGLIIGSKSC-MRXNPFEDSA-N 1 2 302.805 3.322 20 10 DGCDLO CCc1cnc(C[N@H+](C)Cc2cc(OC)c(OC)cc2O)s1 ZINC000160348701 522022243 /nfs/dbraw/zinc/02/22/43/522022243.db2.gz KZOGABIKAKZAGM-UHFFFAOYSA-N 1 2 322.430 3.060 20 10 DGCDLO CCc1cnc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2O)s1 ZINC000160348701 522022248 /nfs/dbraw/zinc/02/22/48/522022248.db2.gz KZOGABIKAKZAGM-UHFFFAOYSA-N 1 2 322.430 3.060 20 10 DGCDLO COc1ccc(C[NH2+]Cc2csc([C@H](C)OC)n2)cc1C ZINC000267638626 524073430 /nfs/dbraw/zinc/07/34/30/524073430.db2.gz QDEJAMJCKNSXQB-LBPRGKRZSA-N 1 2 306.431 3.457 20 10 DGCDLO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1O ZINC000191193808 525409509 /nfs/dbraw/zinc/40/95/09/525409509.db2.gz TXGCWQURTGLOLX-XPTSAGLGSA-N 1 2 311.303 3.194 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126687230 526324774 /nfs/dbraw/zinc/32/47/74/526324774.db2.gz ODKDYJBVFGSSDA-FOSCPWQOSA-N 1 2 302.201 3.187 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126687230 526324782 /nfs/dbraw/zinc/32/47/82/526324782.db2.gz ODKDYJBVFGSSDA-FOSCPWQOSA-N 1 2 302.201 3.187 20 10 DGCDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cccc(Cl)c2O)cn1 ZINC000191741688 527305080 /nfs/dbraw/zinc/30/50/80/527305080.db2.gz YCUHFFNIPBUFNA-AWEZNQCLSA-N 1 2 323.849 3.069 20 10 DGCDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cccc(Cl)c2O)cn1 ZINC000191741688 527305083 /nfs/dbraw/zinc/30/50/83/527305083.db2.gz YCUHFFNIPBUFNA-AWEZNQCLSA-N 1 2 323.849 3.069 20 10 DGCDLO CCc1cc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc[nH+]1 ZINC000733188486 574606156 /nfs/dbraw/zinc/60/61/56/574606156.db2.gz GLRNWHBSOLPWDO-AWEZNQCLSA-N 1 2 312.417 3.049 20 10 DGCDLO C[C@@H]1CCN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000744449909 575343932 /nfs/dbraw/zinc/34/39/32/575343932.db2.gz HWGCLENUXCLPMD-SNVBAGLBSA-N 1 2 303.233 3.130 20 10 DGCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@H]2CSc3ccccc32)c1 ZINC000735509431 574703962 /nfs/dbraw/zinc/70/39/62/574703962.db2.gz ZRIYCUOFLDBRCX-ZDUSSCGKSA-N 1 2 302.355 3.237 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2nc(C)no2)cc1F ZINC000740004184 574917906 /nfs/dbraw/zinc/91/79/06/574917906.db2.gz HSILOQCQBHNSPF-NSHDSACASA-N 1 2 306.385 3.214 20 10 DGCDLO COc1ccc([NH+]2CCC(NC(=O)CCC(C)C)CC2)cc1 ZINC000726562533 576030896 /nfs/dbraw/zinc/03/08/96/576030896.db2.gz LZJYIXFHCAATQV-UHFFFAOYSA-N 1 2 304.434 3.216 20 10 DGCDLO COc1ccc([NH+]2CCC(NC(=O)C(C)=C(C)C)CC2)cc1 ZINC000751121047 576179085 /nfs/dbraw/zinc/17/90/85/576179085.db2.gz YEYHRESDAUDCAF-UHFFFAOYSA-N 1 2 302.418 3.137 20 10 DGCDLO CCCCOC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074351 620654892 /nfs/dbraw/zinc/65/48/92/620654892.db2.gz YVHAJXUKNZWHBF-UHFFFAOYSA-N 1 2 304.434 3.060 20 10 DGCDLO CCCCOC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074351 620654893 /nfs/dbraw/zinc/65/48/93/620654893.db2.gz YVHAJXUKNZWHBF-UHFFFAOYSA-N 1 2 304.434 3.060 20 10 DGCDLO COC(=O)Cc1cc[nH+]c(N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000853484887 620700272 /nfs/dbraw/zinc/70/02/72/620700272.db2.gz WXRJMHJSLZHTIF-CYBMUJFWSA-N 1 2 313.401 3.036 20 10 DGCDLO C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc(F)cc1O ZINC000840869644 618041816 /nfs/dbraw/zinc/04/18/16/618041816.db2.gz NIXHURPUZBDYMK-QMMMGPOBSA-N 1 2 315.270 3.191 20 10 DGCDLO COc1cc(C)cc(C[N@@H+]2CCOC[C@@H]2c2ccc(C)o2)c1O ZINC000894033014 618695957 /nfs/dbraw/zinc/69/59/57/618695957.db2.gz WKCYLXXQFHAASK-OAHLLOKOSA-N 1 2 317.385 3.184 20 10 DGCDLO COc1cc(C)cc(C[N@H+]2CCOC[C@@H]2c2ccc(C)o2)c1O ZINC000894033014 618695959 /nfs/dbraw/zinc/69/59/59/618695959.db2.gz WKCYLXXQFHAASK-OAHLLOKOSA-N 1 2 317.385 3.184 20 10 DGCDLO C[N@@H+](Cc1ccns1)Cc1c(O)cccc1Br ZINC000895452752 618786577 /nfs/dbraw/zinc/78/65/77/618786577.db2.gz UXTSCRVPDAZRQW-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO Cn1ccc(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC000896497160 618920983 /nfs/dbraw/zinc/92/09/83/618920983.db2.gz ZMZGTGRXSLKWJP-UHFFFAOYSA-N 1 2 305.809 3.159 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000896599048 618932724 /nfs/dbraw/zinc/93/27/24/618932724.db2.gz NVJCYLBYUFZUCU-CYBMUJFWSA-N 1 2 307.756 3.216 20 10 DGCDLO Oc1c(C[NH2+]Cc2nc3c(s2)CCCC3)ccc(F)c1F ZINC000896822412 618966190 /nfs/dbraw/zinc/96/61/90/618966190.db2.gz LBNQOKUWIDPINS-UHFFFAOYSA-N 1 2 310.369 3.296 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc(Cl)c1O ZINC000841763020 619166448 /nfs/dbraw/zinc/16/64/48/619166448.db2.gz TUQFCZOXWIRHNU-MFKMUULPSA-N 1 2 318.795 3.426 20 10 DGCDLO CC[C@@H]([NH2+]CCc1cc(C)n(C)n1)c1cccc(Cl)c1O ZINC000926912182 619247663 /nfs/dbraw/zinc/24/76/63/619247663.db2.gz UJUZMVFZVIHOKC-OAHLLOKOSA-N 1 2 307.825 3.371 20 10 DGCDLO CC[C@H]([NH2+]CCc1cc(C)n(C)n1)c1cccc(Cl)c1O ZINC000926912181 619247732 /nfs/dbraw/zinc/24/77/32/619247732.db2.gz UJUZMVFZVIHOKC-HNNXBMFYSA-N 1 2 307.825 3.371 20 10 DGCDLO CCOCCOCC[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000927087227 619264211 /nfs/dbraw/zinc/26/42/11/619264211.db2.gz OVHQWMIZNNPISX-AWEZNQCLSA-N 1 2 301.814 3.139 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000841068859 619265554 /nfs/dbraw/zinc/26/55/54/619265554.db2.gz JCINWPPMTZDZGK-MRXNPFEDSA-N 1 2 302.805 3.022 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898511639 619281729 /nfs/dbraw/zinc/28/17/29/619281729.db2.gz CZUGGZJAAHAJSD-CHWSQXEVSA-N 1 2 311.372 3.309 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898511639 619281730 /nfs/dbraw/zinc/28/17/30/619281730.db2.gz CZUGGZJAAHAJSD-CHWSQXEVSA-N 1 2 311.372 3.309 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000898511641 619282020 /nfs/dbraw/zinc/28/20/20/619282020.db2.gz CZUGGZJAAHAJSD-QWHCGFSZSA-N 1 2 311.372 3.309 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000898511641 619282022 /nfs/dbraw/zinc/28/20/22/619282022.db2.gz CZUGGZJAAHAJSD-QWHCGFSZSA-N 1 2 311.372 3.309 20 10 DGCDLO CC[C@H]([NH2+]Cc1cnn(CCF)c1)c1cccc(Cl)c1O ZINC000903274452 619750503 /nfs/dbraw/zinc/75/05/03/619750503.db2.gz MTOILEBTNJCEHU-AWEZNQCLSA-N 1 2 311.788 3.453 20 10 DGCDLO CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1cccc(Cl)c1O ZINC000903388226 619770173 /nfs/dbraw/zinc/77/01/73/619770173.db2.gz LYQLPJZYPUJOLT-ZIAGYGMSSA-N 1 2 310.825 3.097 20 10 DGCDLO Cc1cc(Br)c(O)c(C[NH+]2CC3(CC(F)C3)C2)c1 ZINC000839141018 621340491 /nfs/dbraw/zinc/34/04/91/621340491.db2.gz XOHGLRUCNDCGDM-UHFFFAOYSA-N 1 2 314.198 3.397 20 10 DGCDLO Cc1cc(NCc2cc([N+](=O)[O-])ccc2O)ccc1C[NH+](C)C ZINC000839190261 621346568 /nfs/dbraw/zinc/34/65/68/621346568.db2.gz YRSOPJJVQBEGOM-UHFFFAOYSA-N 1 2 315.373 3.283 20 10 DGCDLO CC[C@@]1(C)C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000862337117 621575870 /nfs/dbraw/zinc/57/58/70/621575870.db2.gz RBDOHABIFQCQOB-AWEZNQCLSA-N 1 2 314.223 3.156 20 10 DGCDLO CC[C@@]1(C)C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC000862337117 621575873 /nfs/dbraw/zinc/57/58/73/621575873.db2.gz RBDOHABIFQCQOB-AWEZNQCLSA-N 1 2 314.223 3.156 20 10 DGCDLO COc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756381546 621633405 /nfs/dbraw/zinc/63/34/05/621633405.db2.gz MSIXEYXREKCAQW-QLJPJBMISA-N 1 2 323.339 3.063 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000756455528 621639550 /nfs/dbraw/zinc/63/95/50/621639550.db2.gz DDOVFEVWZVTKGB-OCCSQVGLSA-N 1 2 321.367 3.172 20 10 DGCDLO C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(Cl)c(Cl)cc1O ZINC000863548553 621682938 /nfs/dbraw/zinc/68/29/38/621682938.db2.gz ZVTBRCOWNHWGRE-OPRDCNLKSA-N 1 2 303.233 3.490 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC=C(C(F)(F)F)CC2)c1O ZINC000757120967 621688293 /nfs/dbraw/zinc/68/82/93/621688293.db2.gz RAOWAILJTAEFSJ-UHFFFAOYSA-N 1 2 317.282 3.428 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1O ZINC000757120967 621688294 /nfs/dbraw/zinc/68/82/94/621688294.db2.gz RAOWAILJTAEFSJ-UHFFFAOYSA-N 1 2 317.282 3.428 20 10 DGCDLO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000757659032 621732082 /nfs/dbraw/zinc/73/20/82/621732082.db2.gz XGWXQKNRNPXZSQ-VGMNWLOBSA-N 1 2 320.202 3.104 20 10 DGCDLO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000757659029 621732132 /nfs/dbraw/zinc/73/21/32/621732132.db2.gz XGWXQKNRNPXZSQ-CIUDSAMLSA-N 1 2 320.202 3.104 20 10 DGCDLO COc1ccc(N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1F ZINC000757852352 621742804 /nfs/dbraw/zinc/74/28/04/621742804.db2.gz LDUMTYSBBLAOER-UHFFFAOYSA-N 1 2 304.365 3.491 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCOCC3(CCC3)C2)c1O ZINC000759914631 621902006 /nfs/dbraw/zinc/90/20/06/621902006.db2.gz HGEFPGIJWLKSRF-UHFFFAOYSA-N 1 2 323.820 3.251 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCOCC3(CCC3)C2)c1O ZINC000759914631 621902011 /nfs/dbraw/zinc/90/20/11/621902011.db2.gz HGEFPGIJWLKSRF-UHFFFAOYSA-N 1 2 323.820 3.251 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000211722363 625529644 /nfs/dbraw/zinc/52/96/44/625529644.db2.gz YTWKTWHUAFJPGA-CYBMUJFWSA-N 1 2 315.244 3.369 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000211722363 625529651 /nfs/dbraw/zinc/52/96/51/625529651.db2.gz YTWKTWHUAFJPGA-CYBMUJFWSA-N 1 2 315.244 3.369 20 10 DGCDLO C[C@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccccc1O ZINC000866239217 622073487 /nfs/dbraw/zinc/07/34/87/622073487.db2.gz SSKIVBOBMPEFSA-NSHDSACASA-N 1 2 311.389 3.460 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1F ZINC000866247979 622075602 /nfs/dbraw/zinc/07/56/02/622075602.db2.gz IWBCCIRSNACPTB-CRAIPNDOSA-N 1 2 318.367 3.453 20 10 DGCDLO Cc1nc(N[C@H](C)Cc2ccc(O)c(O)c2)c2c([nH+]1)CCCC2 ZINC000762800619 622099482 /nfs/dbraw/zinc/09/94/82/622099482.db2.gz UDMQCTSQEPCDIE-LLVKDONJSA-N 1 2 313.401 3.118 20 10 DGCDLO CC[C@H]([NH2+]CCCNc1ncccn1)c1cccc(Cl)c1O ZINC000806143628 622190105 /nfs/dbraw/zinc/19/01/05/622190105.db2.gz LTBIPQSEYMQJIM-AWEZNQCLSA-N 1 2 320.824 3.379 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000765283002 622256427 /nfs/dbraw/zinc/25/64/27/622256427.db2.gz YEEQQFNCCGKONQ-GFCCVEGCSA-N 1 2 322.206 3.045 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000765283002 622256430 /nfs/dbraw/zinc/25/64/30/622256430.db2.gz YEEQQFNCCGKONQ-GFCCVEGCSA-N 1 2 322.206 3.045 20 10 DGCDLO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cc(F)cc(F)c1O ZINC000768237337 622447262 /nfs/dbraw/zinc/44/72/62/622447262.db2.gz JOXGOCVYOZOOOZ-LLAGZRPASA-N 1 2 309.356 3.279 20 10 DGCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000769309312 622516098 /nfs/dbraw/zinc/51/60/98/622516098.db2.gz ULRVEARHPWYGOU-SFHVURJKSA-N 1 2 317.360 3.113 20 10 DGCDLO COc1cccc(O)c1C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000769309312 622516102 /nfs/dbraw/zinc/51/61/02/622516102.db2.gz ULRVEARHPWYGOU-SFHVURJKSA-N 1 2 317.360 3.113 20 10 DGCDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000769523394 622537803 /nfs/dbraw/zinc/53/78/03/622537803.db2.gz ANUVLONDPVFYRF-MRXNPFEDSA-N 1 2 318.461 3.449 20 10 DGCDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000769523394 622537806 /nfs/dbraw/zinc/53/78/06/622537806.db2.gz ANUVLONDPVFYRF-MRXNPFEDSA-N 1 2 318.461 3.449 20 10 DGCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000770417516 622632001 /nfs/dbraw/zinc/63/20/01/622632001.db2.gz CLPPNFBOPAVYFL-UHFFFAOYSA-N 1 2 322.412 3.063 20 10 DGCDLO CC[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc(Cl)c1O ZINC000806147226 622915814 /nfs/dbraw/zinc/91/58/14/622915814.db2.gz VJBWKUMHXSJNRJ-QIMFLAQGSA-N 1 2 310.825 3.130 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CN1)c1cc(F)cc(F)c1O ZINC000873294268 623106202 /nfs/dbraw/zinc/10/62/02/623106202.db2.gz RKNXCPCNVQIDGD-ABAIWWIYSA-N 1 2 318.367 3.036 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1nc(C2CC2)no1)c1ccc(N(C)C)cc1 ZINC000774484991 623151326 /nfs/dbraw/zinc/15/13/26/623151326.db2.gz UHXWWHRAEBGKSI-NEPJUHHUSA-N 1 2 300.406 3.425 20 10 DGCDLO C[C@@H]([NH2+]CCC(C)(C)O)c1cc(Br)cc(F)c1O ZINC000775586567 623293807 /nfs/dbraw/zinc/29/38/07/623293807.db2.gz SIKISIHIEMHPJG-MRVPVSSYSA-N 1 2 320.202 3.105 20 10 DGCDLO CC(C)Cc1noc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775833968 623339310 /nfs/dbraw/zinc/33/93/10/623339310.db2.gz IWPOGYZHSCXABX-ZDUSSCGKSA-N 1 2 302.422 3.185 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000775961326 623358367 /nfs/dbraw/zinc/35/83/67/623358367.db2.gz FEZMDJQMHLANLU-UHFFFAOYSA-N 1 2 317.820 3.331 20 10 DGCDLO COc1cccc2c1OC[C@H]([NH2+]Cc1cccc(Cl)c1O)C2 ZINC000776172669 623388937 /nfs/dbraw/zinc/38/89/37/623388937.db2.gz SILRFKXYVJLETG-CYBMUJFWSA-N 1 2 319.788 3.148 20 10 DGCDLO CC(C)(C)OC(=O)CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776218844 623398584 /nfs/dbraw/zinc/39/85/84/623398584.db2.gz CMRLLPONUAJBKZ-UHFFFAOYSA-N 1 2 317.788 3.396 20 10 DGCDLO CCc1nn(C)c(CC)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000776251987 623401848 /nfs/dbraw/zinc/40/18/48/623401848.db2.gz HOSYROVYTPQABA-UHFFFAOYSA-N 1 2 307.825 3.194 20 10 DGCDLO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000776254684 623402445 /nfs/dbraw/zinc/40/24/45/623402445.db2.gz KIPMYBUXMAKXIP-OCCSQVGLSA-N 1 2 301.789 3.478 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@@H+]2Cc2c(C)cccc2O)no1 ZINC000876627896 623664077 /nfs/dbraw/zinc/66/40/77/623664077.db2.gz KMCWOQGIWHHJFW-CQSZACIVSA-N 1 2 301.390 3.373 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@H+]2Cc2c(C)cccc2O)no1 ZINC000876627896 623664079 /nfs/dbraw/zinc/66/40/79/623664079.db2.gz KMCWOQGIWHHJFW-CQSZACIVSA-N 1 2 301.390 3.373 20 10 DGCDLO Cc1ccc(CNc2ccc([NH+]3CCC(O)CC3)cc2)c(O)c1 ZINC000876822337 623718489 /nfs/dbraw/zinc/71/84/89/623718489.db2.gz TUSBXXDBCHFYRN-UHFFFAOYSA-N 1 2 312.413 3.274 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@H]1CCCC[C@@H]1O ZINC000779154993 623735811 /nfs/dbraw/zinc/73/58/11/623735811.db2.gz XVRDFQAPQLYSJS-YGRLFVJLSA-N 1 2 301.789 3.168 20 10 DGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@H]1CCCC[C@@H]1O ZINC000779154993 623735815 /nfs/dbraw/zinc/73/58/15/623735815.db2.gz XVRDFQAPQLYSJS-YGRLFVJLSA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)CC1(C)OCCO1 ZINC000877670440 623985339 /nfs/dbraw/zinc/98/53/39/623985339.db2.gz QCRQPKACOOKGNE-JTQLQIEISA-N 1 2 317.788 3.064 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000877727615 624006212 /nfs/dbraw/zinc/00/62/12/624006212.db2.gz CYPZENUPWXPRRV-LBPRGKRZSA-N 1 2 313.800 3.481 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000877807921 624041095 /nfs/dbraw/zinc/04/10/95/624041095.db2.gz YSTXNCGPYNPDFG-UHFFFAOYSA-N 1 2 319.714 3.051 20 10 DGCDLO Cc1csc([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC000877813192 624044221 /nfs/dbraw/zinc/04/42/21/624044221.db2.gz DWVNBILWGOCVLT-LLVKDONJSA-N 1 2 310.369 3.425 20 10 DGCDLO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC000877813192 624044226 /nfs/dbraw/zinc/04/42/26/624044226.db2.gz DWVNBILWGOCVLT-LLVKDONJSA-N 1 2 310.369 3.425 20 10 DGCDLO COC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000877818959 624050250 /nfs/dbraw/zinc/05/02/50/624050250.db2.gz UCRGHUMDHCFNAZ-LBPRGKRZSA-N 1 2 311.809 3.211 20 10 DGCDLO COC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000877818959 624050253 /nfs/dbraw/zinc/05/02/53/624050253.db2.gz UCRGHUMDHCFNAZ-LBPRGKRZSA-N 1 2 311.809 3.211 20 10 DGCDLO COc1cnccc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000783743785 624390630 /nfs/dbraw/zinc/39/06/30/624390630.db2.gz JWYVLDVVWIOJCT-SECBINFHSA-N 1 2 310.756 3.439 20 10 DGCDLO CO[C@@H](C)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000785571868 624682804 /nfs/dbraw/zinc/68/28/04/624682804.db2.gz BWQUZEAMCFGEJS-JGVFFNPUSA-N 1 2 322.630 3.494 20 10 DGCDLO CC[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1C ZINC000211380873 625242994 /nfs/dbraw/zinc/24/29/94/625242994.db2.gz XJXMFBHPXMXQQO-JTQLQIEISA-N 1 2 303.233 3.225 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]CCCCNc1ccccn1 ZINC000882968036 625879164 /nfs/dbraw/zinc/87/91/64/625879164.db2.gz AVCKZEROKVKSSJ-UHFFFAOYSA-N 1 2 307.344 3.047 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2cnccc2C)c1O ZINC000796508037 626057162 /nfs/dbraw/zinc/05/71/62/626057162.db2.gz UCEMCKPNJLFWDJ-UHFFFAOYSA-N 1 2 302.349 3.069 20 10 DGCDLO CO[C@@H](C)C[N@H+](C)CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000796641949 626069514 /nfs/dbraw/zinc/06/95/14/626069514.db2.gz NHKCWOJAYJUPEB-HNNXBMFYSA-N 1 2 314.429 3.244 20 10 DGCDLO CO[C@@H](C)C[N@@H+](C)CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000796641949 626069518 /nfs/dbraw/zinc/06/95/18/626069518.db2.gz NHKCWOJAYJUPEB-HNNXBMFYSA-N 1 2 314.429 3.244 20 10 DGCDLO CC[C@H]([NH2+]CCOC[C@H]1CCCO1)c1cccc(Cl)c1O ZINC000806139910 626701753 /nfs/dbraw/zinc/70/17/53/626701753.db2.gz SHJBMRTVBSBTEF-DOMZBBRYSA-N 1 2 313.825 3.282 20 10 DGCDLO CC[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cccc(Cl)c1O ZINC000806146850 626702447 /nfs/dbraw/zinc/70/24/47/626702447.db2.gz RFDWNDWSCZFLJD-CQSZACIVSA-N 1 2 310.825 3.145 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cccn(CC)c1=O)c1cccc(Cl)c1O ZINC000806163422 626703859 /nfs/dbraw/zinc/70/38/59/626703859.db2.gz QLOPDEOEBZYEGA-OAHLLOKOSA-N 1 2 320.820 3.468 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCc3ccsc3C2)c1O ZINC000132512378 626722562 /nfs/dbraw/zinc/72/25/62/626722562.db2.gz VEPWDGRUCCNTDR-UHFFFAOYSA-N 1 2 305.374 3.354 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCc3ccsc3C2)c1O ZINC000132512378 626722567 /nfs/dbraw/zinc/72/25/67/626722567.db2.gz VEPWDGRUCCNTDR-UHFFFAOYSA-N 1 2 305.374 3.354 20 10 DGCDLO CN(CC[NH+]1CCCC1)Cc1cc(Cl)cc(Cl)c1O ZINC000133905088 626845994 /nfs/dbraw/zinc/84/59/94/626845994.db2.gz SJDYZMVRQSKVGG-UHFFFAOYSA-N 1 2 303.233 3.227 20 10 DGCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](O)c1ccccc1 ZINC000809786743 626953238 /nfs/dbraw/zinc/95/32/38/626953238.db2.gz JYBKEOMHBUEHND-BONVTDFDSA-N 1 2 309.768 3.396 20 10 DGCDLO CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000810245059 626991819 /nfs/dbraw/zinc/99/18/19/626991819.db2.gz PAXWTPNVXVMLJS-NEPJUHHUSA-N 1 2 300.393 3.441 20 10 DGCDLO COCc1nc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cs1 ZINC000811513400 627285986 /nfs/dbraw/zinc/28/59/86/627285986.db2.gz HPFMRNOTCCQAMZ-UHFFFAOYSA-N 1 2 316.785 3.077 20 10 DGCDLO Cc1cnn([C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)c1 ZINC000811520351 627287227 /nfs/dbraw/zinc/28/72/27/627287227.db2.gz NMPQOGPQWKFPME-CYBMUJFWSA-N 1 2 309.772 3.137 20 10 DGCDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)c1 ZINC000811520351 627287229 /nfs/dbraw/zinc/28/72/29/627287229.db2.gz NMPQOGPQWKFPME-CYBMUJFWSA-N 1 2 309.772 3.137 20 10 DGCDLO Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)ccc1N(C)C ZINC000815055755 627619993 /nfs/dbraw/zinc/61/99/93/627619993.db2.gz MIEVLLJEYZSRRZ-SWLSCSKDSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)ccc1N(C)C ZINC000815055755 627619994 /nfs/dbraw/zinc/61/99/94/627619994.db2.gz MIEVLLJEYZSRRZ-SWLSCSKDSA-N 1 2 316.367 3.213 20 10 DGCDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816509449 627798932 /nfs/dbraw/zinc/79/89/32/627798932.db2.gz PZSQQVPJAXPFHF-GFCCVEGCSA-N 1 2 301.789 3.432 20 10 DGCDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816509449 627798935 /nfs/dbraw/zinc/79/89/35/627798935.db2.gz PZSQQVPJAXPFHF-GFCCVEGCSA-N 1 2 301.789 3.432 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCOCC(F)(F)F ZINC000816534855 627803508 /nfs/dbraw/zinc/80/35/08/627803508.db2.gz WUUAKBYBDFRRLB-UHFFFAOYSA-N 1 2 315.694 3.243 20 10 DGCDLO CN(CC[NH2+]Cc1cc(Cl)c(F)cc1O)C1CCCC1 ZINC000816548147 627805507 /nfs/dbraw/zinc/80/55/07/627805507.db2.gz WVMOUCHRHOKSSE-UHFFFAOYSA-N 1 2 300.805 3.149 20 10 DGCDLO CC[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cccc(Cl)c1O ZINC000817585220 627926264 /nfs/dbraw/zinc/92/62/64/627926264.db2.gz CRCVQWVBPRWMPF-HUBLWGQQSA-N 1 2 324.852 3.378 20 10 DGCDLO CC[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000817959687 627974720 /nfs/dbraw/zinc/97/47/20/627974720.db2.gz GIJGAACJWZEXRK-OLZOCXBDSA-N 1 2 302.340 3.189 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1NCCc2ccccc21)c1cc(F)cc(F)c1O ZINC000817972953 627980195 /nfs/dbraw/zinc/98/01/95/627980195.db2.gz ACDYAHKBPCIMKR-APPDUMDISA-N 1 2 318.367 3.208 20 10 DGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)[C@H](CO)c1ccccc1 ZINC000824696746 628684939 /nfs/dbraw/zinc/68/49/39/628684939.db2.gz RJTQONOKUDDNNT-OAHLLOKOSA-N 1 2 309.768 3.350 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@H](CO)c1ccccc1 ZINC000824696746 628684940 /nfs/dbraw/zinc/68/49/40/628684940.db2.gz RJTQONOKUDDNNT-OAHLLOKOSA-N 1 2 309.768 3.350 20 10 DGCDLO CC(C)n1ccnc1C[NH2+]Cc1cccc(Br)c1O ZINC000825710326 628788618 /nfs/dbraw/zinc/78/86/18/628788618.db2.gz MATYHNPZEPEFLQ-UHFFFAOYSA-N 1 2 324.222 3.222 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@@H](C)[S@]1=O ZINC000825886830 628807502 /nfs/dbraw/zinc/80/75/02/628807502.db2.gz QQVPFVHTYVVBCR-JNHSQIPHSA-N 1 2 315.866 3.085 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)C[C@@H](C)[S@]1=O ZINC000825886830 628807504 /nfs/dbraw/zinc/80/75/04/628807504.db2.gz QQVPFVHTYVVBCR-JNHSQIPHSA-N 1 2 315.866 3.085 20 10 DGCDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cc(Cl)c(C)cc2O)n1 ZINC000825899765 628809124 /nfs/dbraw/zinc/80/91/24/628809124.db2.gz DVTFHMOBZHQXCQ-CYBMUJFWSA-N 1 2 307.781 3.383 20 10 DGCDLO Cc1noc([C@H]2CCC[N@H+]2Cc2cc(Cl)c(C)cc2O)n1 ZINC000825899765 628809129 /nfs/dbraw/zinc/80/91/29/628809129.db2.gz DVTFHMOBZHQXCQ-CYBMUJFWSA-N 1 2 307.781 3.383 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000827179447 628932763 /nfs/dbraw/zinc/93/27/63/628932763.db2.gz YBDBPZDNHSJUPS-CABCVRRESA-N 1 2 307.752 3.453 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCOc3ccc(O)cc3C2)c1O ZINC000827655915 628980463 /nfs/dbraw/zinc/98/04/63/628980463.db2.gz FCJVFBFYKZCONG-UHFFFAOYSA-N 1 2 319.788 3.454 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+]2CCOc3ccc(O)cc3C2)c1O ZINC000827655915 628980468 /nfs/dbraw/zinc/98/04/68/628980468.db2.gz FCJVFBFYKZCONG-UHFFFAOYSA-N 1 2 319.788 3.454 20 10 DGCDLO C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cc(F)ccc1O ZINC000840869649 630369726 /nfs/dbraw/zinc/36/97/26/630369726.db2.gz NMKRRYAUYOSBCW-QMMMGPOBSA-N 1 2 315.270 3.191 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000840951182 630383396 /nfs/dbraw/zinc/38/33/96/630383396.db2.gz TXSPRDILKUGXGA-KRWDZBQOSA-N 1 2 312.461 3.378 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000840951182 630383400 /nfs/dbraw/zinc/38/34/00/630383400.db2.gz TXSPRDILKUGXGA-KRWDZBQOSA-N 1 2 312.461 3.378 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840956715 630385394 /nfs/dbraw/zinc/38/53/94/630385394.db2.gz CSLURHRDQUVURS-HOCLYGCPSA-N 1 2 321.779 3.493 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840956715 630385395 /nfs/dbraw/zinc/38/53/95/630385395.db2.gz CSLURHRDQUVURS-HOCLYGCPSA-N 1 2 321.779 3.493 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843055682 630609338 /nfs/dbraw/zinc/60/93/38/630609338.db2.gz NERPHKVBJCXVPW-GFCCVEGCSA-N 1 2 301.217 3.025 20 10 DGCDLO OCC[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1F ZINC000843429322 630657355 /nfs/dbraw/zinc/65/73/55/630657355.db2.gz ARAVBRWNZMGSFT-HNNXBMFYSA-N 1 2 309.768 3.398 20 10 DGCDLO C[C@H](O)[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1F ZINC000846017763 631206406 /nfs/dbraw/zinc/20/64/06/631206406.db2.gz PVDXCXIJOOMNQU-BONVTDFDSA-N 1 2 309.768 3.396 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000846121331 631211078 /nfs/dbraw/zinc/21/10/78/631211078.db2.gz YJOJTEDGKYYICS-LLVKDONJSA-N 1 2 302.187 3.397 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000846121331 631211079 /nfs/dbraw/zinc/21/10/79/631211079.db2.gz YJOJTEDGKYYICS-LLVKDONJSA-N 1 2 302.187 3.397 20 10 DGCDLO CC[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cccc(Cl)c1O ZINC000846210742 631215112 /nfs/dbraw/zinc/21/51/12/631215112.db2.gz CWNBCNLBBPQUAF-GOEBONIOSA-N 1 2 313.825 3.018 20 10 DGCDLO Cc1noc(C[N@@H+](C)Cc2cc(C)cc(C(C)(C)C)c2O)n1 ZINC000848503477 631670903 /nfs/dbraw/zinc/67/09/03/631670903.db2.gz GALSSIYROZWSKK-UHFFFAOYSA-N 1 2 303.406 3.322 20 10 DGCDLO Cc1noc(C[N@H+](C)Cc2cc(C)cc(C(C)(C)C)c2O)n1 ZINC000848503477 631670906 /nfs/dbraw/zinc/67/09/06/631670906.db2.gz GALSSIYROZWSKK-UHFFFAOYSA-N 1 2 303.406 3.322 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000848927254 631790802 /nfs/dbraw/zinc/79/08/02/631790802.db2.gz DHYZRIGEKSNBJK-GJZGRUSLSA-N 1 2 312.816 3.291 20 10 DGCDLO COC1CC(CC[NH2+]Cc2cccc(Br)c2O)C1 ZINC000850341405 632117906 /nfs/dbraw/zinc/11/79/06/632117906.db2.gz JMJPBXFYKOVJIZ-UHFFFAOYSA-N 1 2 314.223 3.059 20 10 DGCDLO CC[C@H]([NH2+]CC[C@@H](COC)OC)c1cccc(Cl)c1O ZINC000850487254 632167487 /nfs/dbraw/zinc/16/74/87/632167487.db2.gz YNBNVKRTBHMLTJ-FZMZJTMJSA-N 1 2 301.814 3.138 20 10 DGCDLO CCn1cc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)nn1 ZINC000850522339 632178227 /nfs/dbraw/zinc/17/82/27/632178227.db2.gz OUOMQJSIRVXWDP-QMMMGPOBSA-N 1 2 315.204 3.161 20 10 DGCDLO C[C@H]1[N@H+](Cc2c(O)cccc2Br)CCOC1(C)C ZINC000707128016 660889665 /nfs/dbraw/zinc/88/96/65/660889665.db2.gz QQYYJFAOWKWJAM-SNVBAGLBSA-N 1 2 314.223 3.154 20 10 DGCDLO C[C@H]1[N@@H+](Cc2c(O)cccc2Br)CCOC1(C)C ZINC000707128016 660889668 /nfs/dbraw/zinc/88/96/68/660889668.db2.gz QQYYJFAOWKWJAM-SNVBAGLBSA-N 1 2 314.223 3.154 20 10 DGCDLO C[C@@H]1[N@H+](Cc2cc(Br)ccc2O)CCOC1(C)C ZINC000708259240 660919460 /nfs/dbraw/zinc/91/94/60/660919460.db2.gz WVXVAYQNTBEKCC-JTQLQIEISA-N 1 2 314.223 3.154 20 10 DGCDLO C[C@@H]1[N@@H+](Cc2cc(Br)ccc2O)CCOC1(C)C ZINC000708259240 660919462 /nfs/dbraw/zinc/91/94/62/660919462.db2.gz WVXVAYQNTBEKCC-JTQLQIEISA-N 1 2 314.223 3.154 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCOC(C)(C)C2)c(C(F)(F)F)c1 ZINC000792789306 660984731 /nfs/dbraw/zinc/98/47/31/660984731.db2.gz XSPNVKJEONTYIH-UHFFFAOYSA-N 1 2 316.367 3.382 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCOC(C)(C)C2)c(C(F)(F)F)c1 ZINC000792789306 660984732 /nfs/dbraw/zinc/98/47/32/660984732.db2.gz XSPNVKJEONTYIH-UHFFFAOYSA-N 1 2 316.367 3.382 20 10 DGCDLO COc1ccc(N2CC[NH+](Cc3nc4ccccc4o3)CC2)cc1 ZINC000069579746 655859589 /nfs/dbraw/zinc/85/95/89/655859589.db2.gz OZAGBVMHNHCMFN-UHFFFAOYSA-N 1 2 323.396 3.159 20 10 DGCDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(CCC(C)C)no2)c1 ZINC000182367785 656105358 /nfs/dbraw/zinc/10/53/58/656105358.db2.gz DOJDCKBTJNQAPI-LBPRGKRZSA-N 1 2 319.405 3.223 20 10 DGCDLO CO[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)C1(C)C ZINC000227830052 659165540 /nfs/dbraw/zinc/16/55/40/659165540.db2.gz CDVGKJBIKDFXNC-RYUDHWBXSA-N 1 2 314.223 3.058 20 10 DGCDLO CC(C)OCCCC[NH2+]Cc1cccc(Br)c1O ZINC000228564698 659197519 /nfs/dbraw/zinc/19/75/19/659197519.db2.gz OPMNJBCBZNVYCP-UHFFFAOYSA-N 1 2 316.239 3.450 20 10 DGCDLO CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093770355 662359841 /nfs/dbraw/zinc/35/98/41/662359841.db2.gz CBAQLFWXWCPESH-NSHDSACASA-N 1 2 317.260 3.473 20 10 DGCDLO CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093770355 662359843 /nfs/dbraw/zinc/35/98/43/662359843.db2.gz CBAQLFWXWCPESH-NSHDSACASA-N 1 2 317.260 3.473 20 10 DGCDLO CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093770355 662359847 /nfs/dbraw/zinc/35/98/47/662359847.db2.gz CBAQLFWXWCPESH-NSHDSACASA-N 1 2 317.260 3.473 20 10 DGCDLO CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093770355 662359849 /nfs/dbraw/zinc/35/98/49/662359849.db2.gz CBAQLFWXWCPESH-NSHDSACASA-N 1 2 317.260 3.473 20 10 DGCDLO C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CS1 ZINC000397957509 685234456 /nfs/dbraw/zinc/23/44/56/685234456.db2.gz ZVAHSWBVYLVEAB-WPRPVWTQSA-N 1 2 302.237 3.138 20 10 DGCDLO CC[C@H]([NH2+]Cc1cccc(C)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001590469691 1192512064 /nfs/dbraw/zinc/51/20/64/1192512064.db2.gz QXMXBTDYZSKLKY-INIZCTEOSA-N 1 2 323.400 3.122 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331382680 1178200798 /nfs/dbraw/zinc/20/07/98/1178200798.db2.gz NSYSYDBMLOHFAU-UHFFFAOYSA-N 1 2 311.385 3.485 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331382680 1178200805 /nfs/dbraw/zinc/20/08/05/1178200805.db2.gz NSYSYDBMLOHFAU-UHFFFAOYSA-N 1 2 311.385 3.485 20 10 DGCDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(F)c(F)cc2O)[nH]1 ZINC001462184218 1182920404 /nfs/dbraw/zinc/92/04/04/1182920404.db2.gz QJWBCSYYYZCBBC-RKDXNWHRSA-N 1 2 310.348 3.153 20 10 DGCDLO Oc1c(F)cccc1C[NH+]1CC(OCCCc2ccccc2)C1 ZINC001462323562 1182940310 /nfs/dbraw/zinc/94/03/10/1182940310.db2.gz RGPIFPDKFVHLRJ-UHFFFAOYSA-N 1 2 315.388 3.365 20 10 DGCDLO COC(=O)c1csc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC001462655175 1182980422 /nfs/dbraw/zinc/98/04/22/1182980422.db2.gz RSHORQPLYGKXKL-UHFFFAOYSA-N 1 2 311.790 3.184 20 10 DGCDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(O)cccc2F)c(Cl)c1 ZINC001561015850 1189420475 /nfs/dbraw/zinc/42/04/75/1189420475.db2.gz IPCUEDGTIFDGOV-UHFFFAOYSA-N 1 2 310.712 3.383 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2c(O)cc(C)cc2Cl)sn1 ZINC001561022470 1189422154 /nfs/dbraw/zinc/42/21/54/1189422154.db2.gz PYYMVYQWEDCLJG-UHFFFAOYSA-N 1 2 312.822 3.451 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2c(O)cc(C)cc2Cl)sn1 ZINC001561022470 1189422156 /nfs/dbraw/zinc/42/21/56/1189422156.db2.gz PYYMVYQWEDCLJG-UHFFFAOYSA-N 1 2 312.822 3.451 20 10 DGCDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001657860223 1196187467 /nfs/dbraw/zinc/18/74/67/1196187467.db2.gz NIQLDBJPQURTRI-HZMBPMFUSA-N 1 2 311.809 3.128 20 10 DGCDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001657860223 1196187470 /nfs/dbraw/zinc/18/74/70/1196187470.db2.gz NIQLDBJPQURTRI-HZMBPMFUSA-N 1 2 311.809 3.128 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC001620757837 1191440000 /nfs/dbraw/zinc/44/00/00/1191440000.db2.gz ICELOGUWIVMDQJ-UHFFFAOYSA-N 1 2 315.323 3.146 20 10 DGCDLO CCc1ccc([C@@H]2COCC[N@@H+]2Cc2ccc(C)cc2O)o1 ZINC001621131955 1193807411 /nfs/dbraw/zinc/80/74/11/1193807411.db2.gz LFAQVLNDULPAGR-INIZCTEOSA-N 1 2 301.386 3.430 20 10 DGCDLO CCc1ccc([C@@H]2COCC[N@H+]2Cc2ccc(C)cc2O)o1 ZINC001621131955 1193807415 /nfs/dbraw/zinc/80/74/15/1193807415.db2.gz LFAQVLNDULPAGR-INIZCTEOSA-N 1 2 301.386 3.430 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CC(=O)N(C(C)C)C(C)(C)C2)c(Cl)c1 ZINC001651722739 1195501270 /nfs/dbraw/zinc/50/12/70/1195501270.db2.gz LRSBKHPTRULNSB-UHFFFAOYSA-N 1 2 324.852 3.185 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CC(=O)N(C(C)C)C(C)(C)C2)c(Cl)c1 ZINC001651722739 1195501274 /nfs/dbraw/zinc/50/12/74/1195501274.db2.gz LRSBKHPTRULNSB-UHFFFAOYSA-N 1 2 324.852 3.185 20 10 DGCDLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC001652480446 1195603811 /nfs/dbraw/zinc/60/38/11/1195603811.db2.gz ATGFAYHORNIRCG-QGZVFWFLSA-N 1 2 301.361 3.413 20 10 DGCDLO Cc1ccc(C[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC001652480446 1195603816 /nfs/dbraw/zinc/60/38/16/1195603816.db2.gz ATGFAYHORNIRCG-QGZVFWFLSA-N 1 2 301.361 3.413 20 10 DGCDLO Cc1ccccc1-n1nccc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC001653000587 1195678941 /nfs/dbraw/zinc/67/89/41/1195678941.db2.gz TYSLCTQWWSLQGP-UHFFFAOYSA-N 1 2 305.381 3.402 20 10 DGCDLO Cc1ccccc1-n1nccc1C[N@H+]1Cc2cccc(O)c2C1 ZINC001653000587 1195678945 /nfs/dbraw/zinc/67/89/45/1195678945.db2.gz TYSLCTQWWSLQGP-UHFFFAOYSA-N 1 2 305.381 3.402 20 10 DGCDLO COc1ccc(N(C)CC[N@H+](C)CC=C(Cl)Cl)cc1 ZINC001654113872 1195776388 /nfs/dbraw/zinc/77/63/88/1195776388.db2.gz BKUOGCRCVAAKFW-UHFFFAOYSA-N 1 2 303.233 3.382 20 10 DGCDLO COc1ccc(N(C)CC[N@@H+](C)CC=C(Cl)Cl)cc1 ZINC001654113872 1195776390 /nfs/dbraw/zinc/77/63/90/1195776390.db2.gz BKUOGCRCVAAKFW-UHFFFAOYSA-N 1 2 303.233 3.382 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC001656248820 1196023066 /nfs/dbraw/zinc/02/30/66/1196023066.db2.gz LHRSXMJJSGCMQS-UHFFFAOYSA-N 1 2 322.758 3.004 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC001657055990 1196097867 /nfs/dbraw/zinc/09/78/67/1196097867.db2.gz JONOUSYQXBDDBM-HZMBPMFUSA-N 1 2 301.789 3.216 20 10 DGCDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001657859372 1196187498 /nfs/dbraw/zinc/18/74/98/1196187498.db2.gz ASGUKLQPTBOAAT-XSRQRWQSSA-N 1 2 316.445 3.039 20 10 DGCDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001657859372 1196187501 /nfs/dbraw/zinc/18/75/01/1196187501.db2.gz ASGUKLQPTBOAAT-XSRQRWQSSA-N 1 2 316.445 3.039 20 10 DGCDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001657859371 1196187811 /nfs/dbraw/zinc/18/78/11/1196187811.db2.gz ASGUKLQPTBOAAT-PWSDSBMBSA-N 1 2 316.445 3.039 20 10 DGCDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001657859371 1196187816 /nfs/dbraw/zinc/18/78/16/1196187816.db2.gz ASGUKLQPTBOAAT-PWSDSBMBSA-N 1 2 316.445 3.039 20 10 DGCDLO CCOC(=O)[C@H]1CCCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001659002635 1196330905 /nfs/dbraw/zinc/33/09/05/1196330905.db2.gz LJKNWVFGLNYTMX-JTHGQSKGSA-N 1 2 316.445 3.183 20 10 DGCDLO CCOC(=O)[C@H]1CCCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001659002635 1196330911 /nfs/dbraw/zinc/33/09/11/1196330911.db2.gz LJKNWVFGLNYTMX-JTHGQSKGSA-N 1 2 316.445 3.183 20 10 DGCDLO CC1=CCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001659022441 1196332818 /nfs/dbraw/zinc/33/28/18/1196332818.db2.gz RYWZVXWNBXESPC-UHFFFAOYSA-N 1 2 300.171 3.446 20 10 DGCDLO CC1=CCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001659022441 1196332823 /nfs/dbraw/zinc/33/28/23/1196332823.db2.gz RYWZVXWNBXESPC-UHFFFAOYSA-N 1 2 300.171 3.446 20 10 DGCDLO CCc1cccc(C[N@H+](C)Cc2cnn(-c3ccccc3)n2)c1O ZINC001663841311 1196950578 /nfs/dbraw/zinc/95/05/78/1196950578.db2.gz ICIXZYNCXZUWQJ-UHFFFAOYSA-N 1 2 322.412 3.167 20 10 DGCDLO CCc1cccc(C[N@@H+](C)Cc2cnn(-c3ccccc3)n2)c1O ZINC001663841311 1196950583 /nfs/dbraw/zinc/95/05/83/1196950583.db2.gz ICIXZYNCXZUWQJ-UHFFFAOYSA-N 1 2 322.412 3.167 20 10 DGCDLO CC[N@H+](CCOC)Cc1cc(Cl)cc(Br)c1O ZINC000708133188 1082615196 /nfs/dbraw/zinc/61/51/96/1082615196.db2.gz IKKZCZRDVUCSSE-UHFFFAOYSA-N 1 2 322.630 3.276 20 10 DGCDLO CC[N@@H+](CCOC)Cc1cc(Cl)cc(Br)c1O ZINC000708133188 1082615200 /nfs/dbraw/zinc/61/52/00/1082615200.db2.gz IKKZCZRDVUCSSE-UHFFFAOYSA-N 1 2 322.630 3.276 20 10 DGCDLO C[C@]1([NH3+])CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001205288336 1084088958 /nfs/dbraw/zinc/08/89/58/1084088958.db2.gz IVQRLNLSUQENJE-AWEZNQCLSA-N 1 2 303.233 3.402 20 10 DGCDLO C[C@]1([NH3+])CCC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001205288336 1084088967 /nfs/dbraw/zinc/08/89/67/1084088967.db2.gz IVQRLNLSUQENJE-AWEZNQCLSA-N 1 2 303.233 3.402 20 10 DGCDLO CC(C)[C@@H]1COCC[N@@H+]1Cc1cc(Br)ccc1O ZINC001203645723 1084703138 /nfs/dbraw/zinc/70/31/38/1084703138.db2.gz NJKBZJSQBPZBEC-ZDUSSCGKSA-N 1 2 314.223 3.012 20 10 DGCDLO CC(C)[C@@H]1COCC[N@H+]1Cc1cc(Br)ccc1O ZINC001203645723 1084703152 /nfs/dbraw/zinc/70/31/52/1084703152.db2.gz NJKBZJSQBPZBEC-ZDUSSCGKSA-N 1 2 314.223 3.012 20 10 DGCDLO COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142509137 1087274867 /nfs/dbraw/zinc/27/48/67/1087274867.db2.gz YGNOEAXGDHLTNS-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1ccc2c(c1)CC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142509137 1087274874 /nfs/dbraw/zinc/27/48/74/1087274874.db2.gz YGNOEAXGDHLTNS-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@](C)(C(F)F)O1 ZINC000698928421 1087707332 /nfs/dbraw/zinc/70/73/32/1087707332.db2.gz JSAQKNFERPBGRE-OTYXRUKQSA-N 1 2 305.752 3.290 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@](C)(C(F)F)O1 ZINC000698928421 1087707337 /nfs/dbraw/zinc/70/73/37/1087707337.db2.gz JSAQKNFERPBGRE-OTYXRUKQSA-N 1 2 305.752 3.290 20 10 DGCDLO CCN(CC)c1cc(N(CC)Cc2ccccc2O)nc[nH+]1 ZINC001154888926 1088811805 /nfs/dbraw/zinc/81/18/05/1088811805.db2.gz KRONYXDWKSZJKD-UHFFFAOYSA-N 1 2 300.406 3.055 20 10 DGCDLO CCN(CC)c1cc(N(CC)Cc2ccccc2O)[nH+]cn1 ZINC001154888926 1088811821 /nfs/dbraw/zinc/81/18/21/1088811821.db2.gz KRONYXDWKSZJKD-UHFFFAOYSA-N 1 2 300.406 3.055 20 10 DGCDLO Cc1cc(N2CCCc3cc(O)c(O)cc3C2)nc(C(C)C)[nH+]1 ZINC001155944597 1089309347 /nfs/dbraw/zinc/30/93/47/1089309347.db2.gz IPQXIQPFKNUKJR-UHFFFAOYSA-N 1 2 313.401 3.272 20 10 DGCDLO Cc1cc(Cl)c(C)c(NCCc2cc(O)c(O)cc2O)[nH+]1 ZINC001157245743 1089890522 /nfs/dbraw/zinc/89/05/22/1089890522.db2.gz LMVCYUHVNYFBHV-UHFFFAOYSA-N 1 2 308.765 3.123 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CCC[C@]1(C)O ZINC001237617166 1090314616 /nfs/dbraw/zinc/31/46/16/1090314616.db2.gz LYNSIMVTJVXITO-BONVTDFDSA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CCC[C@]1(C)O ZINC001237617166 1090314622 /nfs/dbraw/zinc/31/46/22/1090314622.db2.gz LYNSIMVTJVXITO-BONVTDFDSA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)CC[C@]1(C)O ZINC001237808677 1090326430 /nfs/dbraw/zinc/32/64/30/1090326430.db2.gz VXZUDRFOOJKSOD-BMIGLBTASA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)CC[C@]1(C)O ZINC001237808677 1090326433 /nfs/dbraw/zinc/32/64/33/1090326433.db2.gz VXZUDRFOOJKSOD-BMIGLBTASA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)CC[C@@]1(C)O ZINC001237808686 1090326856 /nfs/dbraw/zinc/32/68/56/1090326856.db2.gz VXZUDRFOOJKSOD-MEBBXXQBSA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)CC[C@@]1(C)O ZINC001237808686 1090326861 /nfs/dbraw/zinc/32/68/61/1090326861.db2.gz VXZUDRFOOJKSOD-MEBBXXQBSA-N 1 2 301.789 3.168 20 10 DGCDLO Oc1ccccc1C[N@@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001203558335 1090613437 /nfs/dbraw/zinc/61/34/37/1090613437.db2.gz FSRGGZAPMKCYMI-UHFFFAOYSA-N 1 2 303.365 3.365 20 10 DGCDLO Oc1ccccc1C[N@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001203558335 1090613440 /nfs/dbraw/zinc/61/34/40/1090613440.db2.gz FSRGGZAPMKCYMI-UHFFFAOYSA-N 1 2 303.365 3.365 20 10 DGCDLO CC[C@](C)(C[NH2+]Cc1cc(Br)cc(F)c1O)OC ZINC000715720392 1090717933 /nfs/dbraw/zinc/71/79/33/1090717933.db2.gz XUGOGYOGMFZDAH-CYBMUJFWSA-N 1 2 320.202 3.199 20 10 DGCDLO Oc1ccc(Br)cc1C[N@@H+]1CCc2cccnc2C1 ZINC001203650210 1090773616 /nfs/dbraw/zinc/77/36/16/1090773616.db2.gz NENIWMOENRVDQS-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1ccc(Br)cc1C[N@H+]1CCc2cccnc2C1 ZINC001203650210 1090773618 /nfs/dbraw/zinc/77/36/18/1090773618.db2.gz NENIWMOENRVDQS-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1ccc(Br)cc1C[N@@H+]1CCc2occc2C1 ZINC001203650512 1090773677 /nfs/dbraw/zinc/77/36/77/1090773677.db2.gz VRRLMGMSKQFEQT-UHFFFAOYSA-N 1 2 308.175 3.306 20 10 DGCDLO Oc1ccc(Br)cc1C[N@H+]1CCc2occc2C1 ZINC001203650512 1090773680 /nfs/dbraw/zinc/77/36/80/1090773680.db2.gz VRRLMGMSKQFEQT-UHFFFAOYSA-N 1 2 308.175 3.306 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001203664505 1090776043 /nfs/dbraw/zinc/77/60/43/1090776043.db2.gz HYEAQLFYHIZRKK-MRXNPFEDSA-N 1 2 304.777 3.014 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001203664505 1090776048 /nfs/dbraw/zinc/77/60/48/1090776048.db2.gz HYEAQLFYHIZRKK-MRXNPFEDSA-N 1 2 304.777 3.014 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cc(F)ccc1F)CCC2 ZINC001204220141 1090926627 /nfs/dbraw/zinc/92/66/27/1090926627.db2.gz JDYNGJNICKDSSP-UHFFFAOYSA-N 1 2 305.324 3.324 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cc(F)ccc1F)CCC2 ZINC001204220141 1090926631 /nfs/dbraw/zinc/92/66/31/1090926631.db2.gz JDYNGJNICKDSSP-UHFFFAOYSA-N 1 2 305.324 3.324 20 10 DGCDLO COc1cc(Br)cc(C[N@@H+]2C[C@H](F)C[C@H]2C)c1O ZINC001204336465 1090951426 /nfs/dbraw/zinc/95/14/26/1090951426.db2.gz QISHVTOHJHSEHY-LDYMZIIASA-N 1 2 318.186 3.096 20 10 DGCDLO COc1cc(Br)cc(C[N@H+]2C[C@H](F)C[C@H]2C)c1O ZINC001204336465 1090951428 /nfs/dbraw/zinc/95/14/28/1090951428.db2.gz QISHVTOHJHSEHY-LDYMZIIASA-N 1 2 318.186 3.096 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)c1 ZINC001204433233 1090968543 /nfs/dbraw/zinc/96/85/43/1090968543.db2.gz YMKBWBVKDDCNFY-LJQANCHMSA-N 1 2 324.424 3.189 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)c1 ZINC001204433233 1090968545 /nfs/dbraw/zinc/96/85/45/1090968545.db2.gz YMKBWBVKDDCNFY-LJQANCHMSA-N 1 2 324.424 3.189 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCC[C@H](F)C1 ZINC001139127269 1091459136 /nfs/dbraw/zinc/45/91/36/1091459136.db2.gz SWXVLLQHNJICHM-LBPRGKRZSA-N 1 2 305.349 3.131 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCC[C@H](F)C1 ZINC001139127269 1091459139 /nfs/dbraw/zinc/45/91/39/1091459139.db2.gz SWXVLLQHNJICHM-LBPRGKRZSA-N 1 2 305.349 3.131 20 10 DGCDLO [NH3+]C[C@@]1(F)CCCCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC001206334936 1091583952 /nfs/dbraw/zinc/58/39/52/1091583952.db2.gz AZCWCIPFMMHOIO-AWEZNQCLSA-N 1 2 321.223 3.352 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cccc(Cl)n1)CCC2 ZINC001139552424 1091600666 /nfs/dbraw/zinc/60/06/66/1091600666.db2.gz WYUQZHWNCJWVFS-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cccc(Cl)n1)CCC2 ZINC001139552424 1091600673 /nfs/dbraw/zinc/60/06/73/1091600673.db2.gz WYUQZHWNCJWVFS-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO C[N@H+](Cc1ccccn1)Cc1c(O)cccc1Br ZINC001140098926 1091767600 /nfs/dbraw/zinc/76/76/00/1091767600.db2.gz TUMHJMHSBYJWMR-UHFFFAOYSA-N 1 2 307.191 3.182 20 10 DGCDLO C[N@@H+](Cc1ccccn1)Cc1c(O)cccc1Br ZINC001140098926 1091767610 /nfs/dbraw/zinc/76/76/10/1091767610.db2.gz TUMHJMHSBYJWMR-UHFFFAOYSA-N 1 2 307.191 3.182 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001207549186 1092018018 /nfs/dbraw/zinc/01/80/18/1092018018.db2.gz RMJGUSYGXYXDPP-KDOFPFPSSA-N 1 2 301.336 3.444 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001207549186 1092018027 /nfs/dbraw/zinc/01/80/27/1092018027.db2.gz RMJGUSYGXYXDPP-KDOFPFPSSA-N 1 2 301.336 3.444 20 10 DGCDLO CN1CCOc2cc(C[N@@H+]3CCOC[C@@H]3c3ccccc3)ccc21 ZINC001141140528 1092148762 /nfs/dbraw/zinc/14/87/62/1092148762.db2.gz NMYXFFFPUDILOI-LJQANCHMSA-N 1 2 324.424 3.089 20 10 DGCDLO CN1CCOc2cc(C[N@H+]3CCOC[C@@H]3c3ccccc3)ccc21 ZINC001141140528 1092148766 /nfs/dbraw/zinc/14/87/66/1092148766.db2.gz NMYXFFFPUDILOI-LJQANCHMSA-N 1 2 324.424 3.089 20 10 DGCDLO C[N@H+]1CCN(Cc2cc(F)c(F)cc2O)[C@@H](c2ccccc2)C1 ZINC001142502075 1092490280 /nfs/dbraw/zinc/49/02/80/1092490280.db2.gz IDEKITKQKJBKTQ-QGZVFWFLSA-N 1 2 318.367 3.159 20 10 DGCDLO Oc1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cc1O ZINC001215304352 1093955935 /nfs/dbraw/zinc/95/59/35/1093955935.db2.gz LJUDPYZYSFNOCH-UHFFFAOYSA-N 1 2 320.308 3.001 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]CCC[C@H]1CCOC1 ZINC000402351112 1094002494 /nfs/dbraw/zinc/00/24/94/1094002494.db2.gz ZRMJPMSWZMKTTO-NSHDSACASA-N 1 2 314.223 3.061 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)[C@@H](C)CO1 ZINC000403839921 1094187434 /nfs/dbraw/zinc/18/74/34/1094187434.db2.gz SGZROYZOKZFVJK-GWCFXTLKSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)[C@@H](C)CO1 ZINC000403839921 1094187437 /nfs/dbraw/zinc/18/74/37/1094187437.db2.gz SGZROYZOKZFVJK-GWCFXTLKSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)[C@H](C)CO1 ZINC000403839926 1094188099 /nfs/dbraw/zinc/18/80/99/1094188099.db2.gz SGZROYZOKZFVJK-ZWNOBZJWSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)[C@H](C)CO1 ZINC000403839926 1094188102 /nfs/dbraw/zinc/18/81/02/1094188102.db2.gz SGZROYZOKZFVJK-ZWNOBZJWSA-N 1 2 314.223 3.154 20 10 DGCDLO Oc1c(F)ccc(F)c1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001139684650 1095399146 /nfs/dbraw/zinc/39/91/46/1095399146.db2.gz ONIIQMQIVSSAEQ-CYBMUJFWSA-N 1 2 310.388 3.121 20 10 DGCDLO Cn1c(Cl)cnc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001116498686 1095580183 /nfs/dbraw/zinc/58/01/83/1095580183.db2.gz WOZCRBMMCXCDGC-UHFFFAOYSA-N 1 2 318.852 3.306 20 10 DGCDLO Cn1c(Cl)cnc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001116498686 1095580195 /nfs/dbraw/zinc/58/01/95/1095580195.db2.gz WOZCRBMMCXCDGC-UHFFFAOYSA-N 1 2 318.852 3.306 20 10 DGCDLO C[C@]1(CF)CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144298368 1095590465 /nfs/dbraw/zinc/59/04/65/1095590465.db2.gz CJVFSKBONBBWLU-CYBMUJFWSA-N 1 2 320.177 3.475 20 10 DGCDLO C[C@]1(CF)CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144298368 1095590460 /nfs/dbraw/zinc/59/04/60/1095590460.db2.gz CJVFSKBONBBWLU-CYBMUJFWSA-N 1 2 320.177 3.475 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001144300173 1095595670 /nfs/dbraw/zinc/59/56/70/1095595670.db2.gz VSPYDGUAATYESO-SECBINFHSA-N 1 2 320.177 3.475 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC001144300173 1095595679 /nfs/dbraw/zinc/59/56/79/1095595679.db2.gz VSPYDGUAATYESO-SECBINFHSA-N 1 2 320.177 3.475 20 10 DGCDLO CN(C)c1ccc(C[N@H+](C)Cc2cc(F)c(O)cc2F)cc1 ZINC001144660263 1095759817 /nfs/dbraw/zinc/75/98/17/1095759817.db2.gz YRRNJFMCQVLMAL-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](C)Cc2cc(F)c(O)cc2F)cc1 ZINC001144660263 1095759830 /nfs/dbraw/zinc/75/98/30/1095759830.db2.gz YRRNJFMCQVLMAL-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccccc3O)c2c1 ZINC001206207504 1097470124 /nfs/dbraw/zinc/47/01/24/1097470124.db2.gz GLFDNZCMIFATPQ-UHFFFAOYSA-N 1 2 308.337 3.283 20 10 DGCDLO Cc1ccc(C[N@H+](C)Cc2ccccc2O)c(Br)n1 ZINC001249419823 1097696765 /nfs/dbraw/zinc/69/67/65/1097696765.db2.gz NIPDJTGXCRUUJU-UHFFFAOYSA-N 1 2 321.218 3.490 20 10 DGCDLO Cc1ccc(C[N@@H+](C)Cc2ccccc2O)c(Br)n1 ZINC001249419823 1097696771 /nfs/dbraw/zinc/69/67/71/1097696771.db2.gz NIPDJTGXCRUUJU-UHFFFAOYSA-N 1 2 321.218 3.490 20 10 DGCDLO O=C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC001231466208 1097755351 /nfs/dbraw/zinc/75/53/51/1097755351.db2.gz OVZSXMGOUVCYCX-UHFFFAOYSA-N 1 2 311.381 3.136 20 10 DGCDLO CC(C)c1nc(CC[N@H+](C)Cc2cccc(Cl)c2O)no1 ZINC001231910241 1097890021 /nfs/dbraw/zinc/89/00/21/1097890021.db2.gz KGTBIVQMYLIAGN-UHFFFAOYSA-N 1 2 309.797 3.227 20 10 DGCDLO CC(C)c1nc(CC[N@@H+](C)Cc2cccc(Cl)c2O)no1 ZINC001231910241 1097890028 /nfs/dbraw/zinc/89/00/28/1097890028.db2.gz KGTBIVQMYLIAGN-UHFFFAOYSA-N 1 2 309.797 3.227 20 10 DGCDLO Oc1cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)cc(O)c1O ZINC001233012037 1098204609 /nfs/dbraw/zinc/20/46/09/1098204609.db2.gz HVFMUWFBQDKXDD-AWEZNQCLSA-N 1 2 317.410 3.094 20 10 DGCDLO Oc1cc(C[N@H+]2CCSC[C@H]2c2ccccc2)cc(O)c1O ZINC001233012037 1098204613 /nfs/dbraw/zinc/20/46/13/1098204613.db2.gz HVFMUWFBQDKXDD-AWEZNQCLSA-N 1 2 317.410 3.094 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ncccn2)c1O ZINC001233290880 1098278419 /nfs/dbraw/zinc/27/84/19/1098278419.db2.gz AYFPXHHOJLXJJI-ZDUSSCGKSA-N 1 2 319.792 3.181 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2ncccn2)c1O ZINC001233290880 1098278422 /nfs/dbraw/zinc/27/84/22/1098278422.db2.gz AYFPXHHOJLXJJI-ZDUSSCGKSA-N 1 2 319.792 3.181 20 10 DGCDLO C[N@@H+]1CCN(Cc2c(O)ccc(F)c2F)[C@@H](c2ccccc2)C1 ZINC001233331610 1098292789 /nfs/dbraw/zinc/29/27/89/1098292789.db2.gz DBIZBAYFKBQBSY-MRXNPFEDSA-N 1 2 318.367 3.159 20 10 DGCDLO C[N@H+]1CCN(Cc2c(O)ccc(F)c2F)[C@@H](c2ccccc2)C1 ZINC001233331610 1098292791 /nfs/dbraw/zinc/29/27/91/1098292791.db2.gz DBIZBAYFKBQBSY-MRXNPFEDSA-N 1 2 318.367 3.159 20 10 DGCDLO Cc1nc2ccccc2n1CC[NH2+]Cc1cc(F)cc(F)c1O ZINC001177132621 1098482045 /nfs/dbraw/zinc/48/20/45/1098482045.db2.gz IWRBSMWLSBYEIZ-UHFFFAOYSA-N 1 2 317.339 3.118 20 10 DGCDLO Cc1ccn2cc(C[NH2+]Cc3cc(Cl)cc(F)c3O)nc2c1 ZINC001177733181 1098593833 /nfs/dbraw/zinc/59/38/33/1098593833.db2.gz HCUVKFDDWMRYQS-UHFFFAOYSA-N 1 2 319.767 3.431 20 10 DGCDLO CSCC[N@@H+](C)Cc1cc(F)cc(Br)c1O ZINC001235304847 1098951294 /nfs/dbraw/zinc/95/12/94/1098951294.db2.gz DMSMCMVLKHCCGS-UHFFFAOYSA-N 1 2 308.216 3.089 20 10 DGCDLO CSCC[N@H+](C)Cc1cc(F)cc(Br)c1O ZINC001235304847 1098951287 /nfs/dbraw/zinc/95/12/87/1098951287.db2.gz DMSMCMVLKHCCGS-UHFFFAOYSA-N 1 2 308.216 3.089 20 10 DGCDLO COc1nccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1Cl ZINC001235836980 1099201182 /nfs/dbraw/zinc/20/11/82/1099201182.db2.gz FYRHXNWAWWPUGP-UHFFFAOYSA-N 1 2 319.836 3.442 20 10 DGCDLO COc1nccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1Cl ZINC001235836980 1099201188 /nfs/dbraw/zinc/20/11/88/1099201188.db2.gz FYRHXNWAWWPUGP-UHFFFAOYSA-N 1 2 319.836 3.442 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](F)C[C@H]2C)c1 ZINC001236662407 1099731019 /nfs/dbraw/zinc/73/10/19/1099731019.db2.gz DQFUMPRMAXQHKI-KOLCDFICSA-N 1 2 302.187 3.395 20 10 DGCDLO Cn1cc(C[N@H+](C)Cc2cc(Cl)c(Cl)cc2O)cn1 ZINC001236794988 1099791384 /nfs/dbraw/zinc/79/13/84/1099791384.db2.gz ZBIJDKVLIUYOGD-UHFFFAOYSA-N 1 2 300.189 3.065 20 10 DGCDLO Cn1cc(C[N@@H+](C)Cc2cc(Cl)c(Cl)cc2O)cn1 ZINC001236794988 1099791390 /nfs/dbraw/zinc/79/13/90/1099791390.db2.gz ZBIJDKVLIUYOGD-UHFFFAOYSA-N 1 2 300.189 3.065 20 10 DGCDLO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)c(O)c1Cl ZINC001236801483 1099797606 /nfs/dbraw/zinc/79/76/06/1099797606.db2.gz JWWGZZSIMGCLKZ-ZBEGNZNMSA-N 1 2 313.825 3.037 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@H](C)[C@@](C)(O)CC2)c(O)c1Cl ZINC001236801483 1099797614 /nfs/dbraw/zinc/79/76/14/1099797614.db2.gz JWWGZZSIMGCLKZ-ZBEGNZNMSA-N 1 2 313.825 3.037 20 10 DGCDLO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCc2cnccc2C1 ZINC001237120397 1099982996 /nfs/dbraw/zinc/98/29/96/1099982996.db2.gz OTBCALFECWDCED-UHFFFAOYSA-N 1 2 324.302 3.244 20 10 DGCDLO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCc2cnccc2C1 ZINC001237120397 1099983008 /nfs/dbraw/zinc/98/30/08/1099983008.db2.gz OTBCALFECWDCED-UHFFFAOYSA-N 1 2 324.302 3.244 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1ccccc1)Cc1c(C)cccc1O ZINC001237483783 1100139101 /nfs/dbraw/zinc/13/91/01/1100139101.db2.gz UGAYEXYMMWSSPU-UHFFFAOYSA-N 1 2 313.397 3.266 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1ccccc1)Cc1c(C)cccc1O ZINC001237483783 1100139104 /nfs/dbraw/zinc/13/91/04/1100139104.db2.gz UGAYEXYMMWSSPU-UHFFFAOYSA-N 1 2 313.397 3.266 20 10 DGCDLO CCOCc1cnc2n1CC[N@@H+](Cc1c(C)cccc1O)[C@@H]2C ZINC001237486162 1100139950 /nfs/dbraw/zinc/13/99/50/1100139950.db2.gz OQTQUSWRSXBGTG-CQSZACIVSA-N 1 2 315.417 3.010 20 10 DGCDLO CCOCc1cnc2n1CC[N@H+](Cc1c(C)cccc1O)[C@@H]2C ZINC001237486162 1100139957 /nfs/dbraw/zinc/13/99/57/1100139957.db2.gz OQTQUSWRSXBGTG-CQSZACIVSA-N 1 2 315.417 3.010 20 10 DGCDLO CCN(CC[NH+]1CCCCC1)Cc1cc(F)cc(Cl)c1O ZINC001237806911 1100253308 /nfs/dbraw/zinc/25/33/08/1100253308.db2.gz XGUUWNAAWURHHL-UHFFFAOYSA-N 1 2 314.832 3.493 20 10 DGCDLO Cc1cc(F)cc(C[NH+]2CC(Oc3ccc(F)c(F)c3)C2)c1O ZINC001238062821 1100347042 /nfs/dbraw/zinc/34/70/42/1100347042.db2.gz SJNHQHHGHJJWPU-UHFFFAOYSA-N 1 2 323.314 3.381 20 10 DGCDLO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2c(C)n[nH]c2C)n1C ZINC001240124560 1100873309 /nfs/dbraw/zinc/87/33/09/1100873309.db2.gz QMWZGJKELATCIQ-UHFFFAOYSA-N 1 2 312.373 3.065 20 10 DGCDLO C[C@H]1CC[C@@H](C[NH3+])N(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC001205804631 1101561628 /nfs/dbraw/zinc/56/16/28/1101561628.db2.gz NZPLBTOGHMRPNN-CABZTGNLSA-N 1 2 303.233 3.258 20 10 DGCDLO Cn1ccc2c1cccc2-c1ccc(C[NH+]2CCOCC2)nc1 ZINC001241822871 1101728097 /nfs/dbraw/zinc/72/80/97/1101728097.db2.gz RADABJPGGPLODT-UHFFFAOYSA-N 1 2 307.397 3.073 20 10 DGCDLO Cn1ccc2c1cccc2-c1cncc(C[NH+]2CCOCC2)c1 ZINC001241822912 1101728597 /nfs/dbraw/zinc/72/85/97/1101728597.db2.gz SMWMRJRJUOYBND-UHFFFAOYSA-N 1 2 307.397 3.073 20 10 DGCDLO CC(C)[NH2+]c1ccc(Nc2cc(N)ccc2OCCO)cc1 ZINC001201497410 1102611872 /nfs/dbraw/zinc/61/18/72/1102611872.db2.gz GUMNXXSOICZOBG-UHFFFAOYSA-N 1 2 301.390 3.204 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000687288328 1103091297 /nfs/dbraw/zinc/09/12/97/1103091297.db2.gz AGGGXVVYXBEJKI-LLVKDONJSA-N 1 2 309.715 3.199 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000687288328 1103091310 /nfs/dbraw/zinc/09/13/10/1103091310.db2.gz AGGGXVVYXBEJKI-LLVKDONJSA-N 1 2 309.715 3.199 20 10 DGCDLO CC1(C)C=Cc2c(O)c(C[N@@H+]3C[C@@H](F)C[C@H]3CF)ccc2O1 ZINC001249223460 1105249701 /nfs/dbraw/zinc/24/97/01/1105249701.db2.gz HBEKWXQVMHOCEI-STQMWFEESA-N 1 2 309.356 3.458 20 10 DGCDLO CC1(C)C=Cc2c(O)c(C[N@H+]3C[C@@H](F)C[C@H]3CF)ccc2O1 ZINC001249223460 1105249704 /nfs/dbraw/zinc/24/97/04/1105249704.db2.gz HBEKWXQVMHOCEI-STQMWFEESA-N 1 2 309.356 3.458 20 10 DGCDLO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c(O)cc1Br ZINC001250136529 1105450972 /nfs/dbraw/zinc/45/09/72/1105450972.db2.gz SJCDDBOIWONWFE-WDEREUQCSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(O)cc1Br ZINC001250136529 1105450975 /nfs/dbraw/zinc/45/09/75/1105450975.db2.gz SJCDDBOIWONWFE-WDEREUQCSA-N 1 2 314.223 3.072 20 10 DGCDLO COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(C)[nH+]c2C)c1 ZINC001321036626 1107230637 /nfs/dbraw/zinc/23/06/37/1107230637.db2.gz BIBRQJYIWMHZBT-LLVKDONJSA-N 1 2 300.358 3.364 20 10 DGCDLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1O ZINC001302538195 1111117356 /nfs/dbraw/zinc/11/73/56/1111117356.db2.gz JTWKNENFISERQD-AWEZNQCLSA-N 1 2 321.380 3.128 20 10 DGCDLO Cc1cnc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2O)s1 ZINC000080346463 192149864 /nfs/dbraw/zinc/14/98/64/192149864.db2.gz XEZYOUGQPGGQEI-UHFFFAOYSA-N 1 2 307.375 3.090 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(F)c(F)c1O ZINC000187752777 299320557 /nfs/dbraw/zinc/32/05/57/299320557.db2.gz XCRRPUDTBBABCZ-IUCAKERBSA-N 1 2 305.415 3.170 20 10 DGCDLO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(F)c(F)c1O ZINC000278819968 296117825 /nfs/dbraw/zinc/11/78/25/296117825.db2.gz ODKPFYIQYPPNGB-LLVKDONJSA-N 1 2 311.372 3.264 20 10 DGCDLO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1O ZINC000282220522 296119859 /nfs/dbraw/zinc/11/98/59/296119859.db2.gz HYEIPHBZNAWEJH-YLVJLNSGSA-N 1 2 322.257 3.261 20 10 DGCDLO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187720091 296134039 /nfs/dbraw/zinc/13/40/39/296134039.db2.gz YMWMBMGAXJWPAZ-DIFFPNOSSA-N 1 2 307.340 3.229 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1O ZINC000276997203 296156224 /nfs/dbraw/zinc/15/62/24/296156224.db2.gz YRAWUODMFQJFGU-NOZJJQNGSA-N 1 2 307.344 3.132 20 10 DGCDLO COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1F ZINC000273417940 130118358 /nfs/dbraw/zinc/11/83/58/130118358.db2.gz RFQQTNWRSMRKAA-SNVBAGLBSA-N 1 2 320.320 3.299 20 10 DGCDLO COC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1 ZINC000273610905 130143381 /nfs/dbraw/zinc/14/33/81/130143381.db2.gz VTVFBHRIDKKGAY-BXUZGUMPSA-N 1 2 320.345 3.240 20 10 DGCDLO CCNC(=O)C1(C[NH2+][C@@H](CC)c2cccc(Cl)c2O)CCC1 ZINC000287708817 131295783 /nfs/dbraw/zinc/29/57/83/131295783.db2.gz NZXIKIAQGHYNSM-AWEZNQCLSA-N 1 2 324.852 3.393 20 10 DGCDLO CC[C@@H]([NH2+]CCCc1cnn(C)c1)c1cccc(Cl)c1O ZINC000287710362 131296459 /nfs/dbraw/zinc/29/64/59/131296459.db2.gz ODSHBAZOIMMWIS-OAHLLOKOSA-N 1 2 307.825 3.453 20 10 DGCDLO C[C@@H](c1ccccc1)[N@H+](Cc1cnn(C)n1)Cc1ccccc1O ZINC000289411120 131383469 /nfs/dbraw/zinc/38/34/69/131383469.db2.gz UZPSUMQZEIMDBL-HNNXBMFYSA-N 1 2 322.412 3.284 20 10 DGCDLO C[C@@H](c1ccccc1)[N@@H+](Cc1cnn(C)n1)Cc1ccccc1O ZINC000289411120 131383470 /nfs/dbraw/zinc/38/34/70/131383470.db2.gz UZPSUMQZEIMDBL-HNNXBMFYSA-N 1 2 322.412 3.284 20 10 DGCDLO CC[C@@H]([NH2+]CCN1CCSCC1)c1cccc(Cl)c1O ZINC000287783636 286907961 /nfs/dbraw/zinc/90/79/61/286907961.db2.gz SICVLXWCVCHMRV-CQSZACIVSA-N 1 2 314.882 3.135 20 10 DGCDLO O=C(C[N@H+]1CC[C@@H](O)C1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000114485915 431394330 /nfs/dbraw/zinc/39/43/30/431394330.db2.gz ZDFACFZCRYLBCH-SGRLSNSRSA-N 1 2 324.384 3.107 20 10 DGCDLO O=C(C[N@@H+]1CC[C@@H](O)C1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000114485915 431394336 /nfs/dbraw/zinc/39/43/36/431394336.db2.gz ZDFACFZCRYLBCH-SGRLSNSRSA-N 1 2 324.384 3.107 20 10 DGCDLO C[C@H](Cn1cccn1)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000037155615 431845258 /nfs/dbraw/zinc/84/52/58/431845258.db2.gz ZGIRQEOVOWMNLG-SECBINFHSA-N 1 2 300.189 3.074 20 10 DGCDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000271195533 432351393 /nfs/dbraw/zinc/35/13/93/432351393.db2.gz NIRJHIIQGXVDPY-XCGNWRKASA-N 1 2 320.502 3.018 20 10 DGCDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000271195533 432351396 /nfs/dbraw/zinc/35/13/96/432351396.db2.gz NIRJHIIQGXVDPY-XCGNWRKASA-N 1 2 320.502 3.018 20 10 DGCDLO C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(Cl)c1O)c1ccco1 ZINC000174532379 432352992 /nfs/dbraw/zinc/35/29/92/432352992.db2.gz KRPCTVAKKFCLOQ-CQSZACIVSA-N 1 2 316.184 3.289 20 10 DGCDLO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000184981599 432453241 /nfs/dbraw/zinc/45/32/41/432453241.db2.gz MBCZLNARFAXVKI-VIFPVBQESA-N 1 2 319.232 3.264 20 10 DGCDLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc(Cl)c2O)s1 ZINC000271821207 432426901 /nfs/dbraw/zinc/42/69/01/432426901.db2.gz MYOLNQLCRSWXQQ-UHFFFAOYSA-N 1 2 311.838 3.484 20 10 DGCDLO CO[C@@H](C)c1nc(C[NH2+]Cc2cccc(Cl)c2O)cs1 ZINC000271840954 432427046 /nfs/dbraw/zinc/42/70/46/432427046.db2.gz QXGGDWQUYQWKSV-VIFPVBQESA-N 1 2 312.822 3.499 20 10 DGCDLO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187805568 432686682 /nfs/dbraw/zinc/68/66/82/432686682.db2.gz RYFVRBFAIPIMIO-ZUZCIYMTSA-N 1 2 301.377 3.364 20 10 DGCDLO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O)c1ncnn1C ZINC000276634586 432823417 /nfs/dbraw/zinc/82/34/17/432823417.db2.gz OBZRRQHXPMKTBH-HTQZYQBOSA-N 1 2 315.204 3.239 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000289721576 432972507 /nfs/dbraw/zinc/97/25/07/432972507.db2.gz JRAFFRCNDZSJDC-RDJZCZTQSA-N 1 2 321.392 3.123 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000289721576 432972508 /nfs/dbraw/zinc/97/25/08/432972508.db2.gz JRAFFRCNDZSJDC-RDJZCZTQSA-N 1 2 321.392 3.123 20 10 DGCDLO COCC[N@H+](Cc1ccccn1)Cc1cccc(Cl)c1O ZINC000289709627 432973302 /nfs/dbraw/zinc/97/33/02/432973302.db2.gz GPTMGUQXXLTUPD-UHFFFAOYSA-N 1 2 306.793 3.089 20 10 DGCDLO COCC[N@@H+](Cc1ccccn1)Cc1cccc(Cl)c1O ZINC000289709627 432973304 /nfs/dbraw/zinc/97/33/04/432973304.db2.gz GPTMGUQXXLTUPD-UHFFFAOYSA-N 1 2 306.793 3.089 20 10 DGCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](CC)c2ccc(F)cc2O)no1 ZINC000290034564 432982900 /nfs/dbraw/zinc/98/29/00/432982900.db2.gz DCQVDKYKMDZPJG-GWCFXTLKSA-N 1 2 323.368 3.253 20 10 DGCDLO C[NH+](C)C[C@H](NCc1cc(F)ccc1O)c1ccc(F)cc1 ZINC000290466232 433061241 /nfs/dbraw/zinc/06/12/41/433061241.db2.gz NFVVICNCAQOMIF-INIZCTEOSA-N 1 2 306.356 3.063 20 10 DGCDLO Cc1nc(C2([NH2+]Cc3ccc(N(C)C)c(C)c3)CCCC2)no1 ZINC000292902466 433605674 /nfs/dbraw/zinc/60/56/74/433605674.db2.gz WCWZKVIVDWRHGU-UHFFFAOYSA-N 1 2 314.433 3.312 20 10 DGCDLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)s1 ZINC000293624620 433805768 /nfs/dbraw/zinc/80/57/68/433805768.db2.gz MUQFFPQCHLSVEB-ZCFIWIBFSA-N 1 2 301.774 3.195 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1noc2c1CCCC2 ZINC000294053146 433979263 /nfs/dbraw/zinc/97/92/63/433979263.db2.gz XFSSKQCKHGLEDZ-UHFFFAOYSA-N 1 2 310.756 3.341 20 10 DGCDLO CC(C)(C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)C(N)=O ZINC000294677450 434126110 /nfs/dbraw/zinc/12/61/10/434126110.db2.gz BFVWQHOETCHLOE-GFCCVEGCSA-N 1 2 324.852 3.159 20 10 DGCDLO CC(C)(C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)C(N)=O ZINC000294677450 434126118 /nfs/dbraw/zinc/12/61/18/434126118.db2.gz BFVWQHOETCHLOE-GFCCVEGCSA-N 1 2 324.852 3.159 20 10 DGCDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)c(O)c1C ZINC000294875833 434151015 /nfs/dbraw/zinc/15/10/15/434151015.db2.gz DBTIEAKKABAVHT-OAHLLOKOSA-N 1 2 322.412 3.441 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+]Cc2nnc(C(C)C)[nH]2)cc1F ZINC000294915843 434155539 /nfs/dbraw/zinc/15/55/39/434155539.db2.gz YJJQFTVAJUSYSE-UHFFFAOYSA-N 1 2 319.428 3.203 20 10 DGCDLO CC[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc(Cl)c1O ZINC000287115064 434305601 /nfs/dbraw/zinc/30/56/01/434305601.db2.gz QSJPOMXCEFOFID-ZUOKHONESA-N 1 2 315.866 3.388 20 10 DGCDLO CC[C@@H]([NH2+][C@@H](CCO)COC)c1cc(Cl)cc(Cl)c1O ZINC000287281815 434324848 /nfs/dbraw/zinc/32/48/48/434324848.db2.gz BMOZJFBDIMEDOU-GXFFZTMASA-N 1 2 322.232 3.137 20 10 DGCDLO COc1cccc(C[N@@H+]2CCSC[C@@H]2c2nccs2)c1O ZINC000186645136 295297837 /nfs/dbraw/zinc/29/78/37/295297837.db2.gz WBSAOZXLKGOWME-GFCCVEGCSA-N 1 2 322.455 3.147 20 10 DGCDLO COc1cccc(C[N@H+]2CCSC[C@@H]2c2nccs2)c1O ZINC000186645136 295297839 /nfs/dbraw/zinc/29/78/39/295297839.db2.gz WBSAOZXLKGOWME-GFCCVEGCSA-N 1 2 322.455 3.147 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529666575 435039230 /nfs/dbraw/zinc/03/92/30/435039230.db2.gz WZENOHIRHYPLRJ-UHFFFAOYSA-N 1 2 315.804 3.271 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529666575 435039232 /nfs/dbraw/zinc/03/92/32/435039232.db2.gz WZENOHIRHYPLRJ-UHFFFAOYSA-N 1 2 315.804 3.271 20 10 DGCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2c1cccc2C(F)(F)F ZINC000492812733 435054150 /nfs/dbraw/zinc/05/41/50/435054150.db2.gz NPKZUNLCRYVKJU-PLNGDYQASA-N 1 2 307.275 3.031 20 10 DGCDLO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179936126 520659435 /nfs/dbraw/zinc/65/94/35/520659435.db2.gz XHYOMWAHOKDSJL-CQSZACIVSA-N 1 2 324.852 3.174 20 10 DGCDLO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179936126 520659447 /nfs/dbraw/zinc/65/94/47/520659447.db2.gz XHYOMWAHOKDSJL-CQSZACIVSA-N 1 2 324.852 3.174 20 10 DGCDLO C[S@](=O)C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000182099765 525389032 /nfs/dbraw/zinc/38/90/32/525389032.db2.gz IJYKAEOPHJBUSM-BTYIYWSLSA-N 1 2 323.845 3.255 20 10 DGCDLO Cc1csc([C@@H]2COCC[N@@H+]2Cc2cc(C)ccc2O)n1 ZINC000190413406 526425472 /nfs/dbraw/zinc/42/54/72/526425472.db2.gz UOAJKQBLLQVYEX-AWEZNQCLSA-N 1 2 304.415 3.039 20 10 DGCDLO Cc1csc([C@@H]2COCC[N@H+]2Cc2cc(C)ccc2O)n1 ZINC000190413406 526425478 /nfs/dbraw/zinc/42/54/78/526425478.db2.gz UOAJKQBLLQVYEX-AWEZNQCLSA-N 1 2 304.415 3.039 20 10 DGCDLO CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1O ZINC000286887820 535405763 /nfs/dbraw/zinc/40/57/63/535405763.db2.gz ISNOPZHSIWHQAA-QPUJVOFHSA-N 1 2 319.232 3.264 20 10 DGCDLO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1cccc(Cl)c1O ZINC000287724831 535808092 /nfs/dbraw/zinc/80/80/92/535808092.db2.gz OSZUXXUOGSQDHH-BXUZGUMPSA-N 1 2 310.825 3.096 20 10 DGCDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1C=CCCC1 ZINC000731845053 574560290 /nfs/dbraw/zinc/56/02/90/574560290.db2.gz PSAXYCBCXSGCTE-CQSZACIVSA-N 1 2 309.793 3.129 20 10 DGCDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)[C@@H]1C=CCCC1 ZINC000731845053 574560291 /nfs/dbraw/zinc/56/02/91/574560291.db2.gz PSAXYCBCXSGCTE-CQSZACIVSA-N 1 2 309.793 3.129 20 10 DGCDLO CCN1C(=O)/C(=C\c2c[nH+]c3ccc(Cl)cn23)SC1=S ZINC000737444718 574843841 /nfs/dbraw/zinc/84/38/41/574843841.db2.gz SPBKYEPUGXBZGA-BJMVGYQFSA-N 1 2 323.830 3.209 20 10 DGCDLO CCC/C=C\C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000729359933 575238096 /nfs/dbraw/zinc/23/80/96/575238096.db2.gz MPDIGDGZFLQKGE-WAYWQWQTSA-N 1 2 302.418 3.137 20 10 DGCDLO COc1ccc2c(c1)CCCN2Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750036687 575699097 /nfs/dbraw/zinc/69/90/97/575699097.db2.gz MSUIZDFYSAVMDB-UHFFFAOYSA-N 1 2 320.396 3.229 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H](C)O1 ZINC000750045478 575699895 /nfs/dbraw/zinc/69/98/95/575699895.db2.gz RKIUDVUBDGTSPN-QMTHXVAHSA-N 1 2 311.809 3.248 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H](C)O1 ZINC000750045478 575699897 /nfs/dbraw/zinc/69/98/97/575699897.db2.gz RKIUDVUBDGTSPN-QMTHXVAHSA-N 1 2 311.809 3.248 20 10 DGCDLO Cc1nc2[nH]ccc2c(NCc2c(O)ccc3c2CCCC3)[nH+]1 ZINC000751230786 575776665 /nfs/dbraw/zinc/77/66/65/575776665.db2.gz SEWJUNWDLDVPPR-UHFFFAOYSA-N 1 2 308.385 3.463 20 10 DGCDLO C[C@@H](Cc1cnccn1)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000725849770 575931725 /nfs/dbraw/zinc/93/17/25/575931725.db2.gz XFZVDRHYNUJLQO-VIFPVBQESA-N 1 2 312.200 3.210 20 10 DGCDLO CCC[C@@H](C)NC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726609659 576033161 /nfs/dbraw/zinc/03/31/61/576033161.db2.gz AHXSMSREZCGFSG-CQSZACIVSA-N 1 2 319.449 3.152 20 10 DGCDLO CCC(F)(F)C[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000858259685 621169895 /nfs/dbraw/zinc/16/98/95/621169895.db2.gz ZCKAKMMKRDCMPS-UHFFFAOYSA-N 1 2 324.165 3.298 20 10 DGCDLO CCc1cnc(C[N@H+](C)Cc2ccc(OC)c(OC)c2O)s1 ZINC000892148618 617975655 /nfs/dbraw/zinc/97/56/55/617975655.db2.gz GYOVLWXYADVDOJ-UHFFFAOYSA-N 1 2 322.430 3.060 20 10 DGCDLO CCc1cnc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2O)s1 ZINC000892148618 617975658 /nfs/dbraw/zinc/97/56/58/617975658.db2.gz GYOVLWXYADVDOJ-UHFFFAOYSA-N 1 2 322.430 3.060 20 10 DGCDLO COc1ccc(C[N@H+](CC(F)F)CC2CCC2)c(O)c1OC ZINC000892218837 617987102 /nfs/dbraw/zinc/98/71/02/617987102.db2.gz WCDVSXDFJLRVRV-UHFFFAOYSA-N 1 2 315.360 3.277 20 10 DGCDLO COc1ccc(C[N@@H+](CC(F)F)CC2CCC2)c(O)c1OC ZINC000892218837 617987106 /nfs/dbraw/zinc/98/71/06/617987106.db2.gz WCDVSXDFJLRVRV-UHFFFAOYSA-N 1 2 315.360 3.277 20 10 DGCDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000775985866 618520038 /nfs/dbraw/zinc/52/00/38/618520038.db2.gz PJMCRFVZSWVEIK-NXEZZACHSA-N 1 2 303.233 3.223 20 10 DGCDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000775985866 618520041 /nfs/dbraw/zinc/52/00/41/618520041.db2.gz PJMCRFVZSWVEIK-NXEZZACHSA-N 1 2 303.233 3.223 20 10 DGCDLO COc1cc(C)cc(C[N@@H+]2CCOC[C@H]2c2ccc(C)o2)c1O ZINC000894033013 618696018 /nfs/dbraw/zinc/69/60/18/618696018.db2.gz WKCYLXXQFHAASK-HNNXBMFYSA-N 1 2 317.385 3.184 20 10 DGCDLO COc1cc(C)cc(C[N@H+]2CCOC[C@H]2c2ccc(C)o2)c1O ZINC000894033013 618696019 /nfs/dbraw/zinc/69/60/19/618696019.db2.gz WKCYLXXQFHAASK-HNNXBMFYSA-N 1 2 317.385 3.184 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000894092797 618708481 /nfs/dbraw/zinc/70/84/81/618708481.db2.gz BYQSZQFJSDSPRI-PXAZEXFGSA-N 1 2 322.399 3.119 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000894092797 618708482 /nfs/dbraw/zinc/70/84/82/618708482.db2.gz BYQSZQFJSDSPRI-PXAZEXFGSA-N 1 2 322.399 3.119 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000894092797 618708483 /nfs/dbraw/zinc/70/84/83/618708483.db2.gz BYQSZQFJSDSPRI-PXAZEXFGSA-N 1 2 322.399 3.119 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000894092797 618708484 /nfs/dbraw/zinc/70/84/84/618708484.db2.gz BYQSZQFJSDSPRI-PXAZEXFGSA-N 1 2 322.399 3.119 20 10 DGCDLO COc1cc(C)cc(CNc2ccc(N3CCCC3)[nH+]c2)c1O ZINC000894360393 618772014 /nfs/dbraw/zinc/77/20/14/618772014.db2.gz YJCZPDRPWFLMOI-UHFFFAOYSA-N 1 2 313.401 3.317 20 10 DGCDLO Cc1cc(CNC(=O)NCc2cccc(Cl)c2O)cc(C)[nH+]1 ZINC000895411260 618780558 /nfs/dbraw/zinc/78/05/58/618780558.db2.gz MRUCYBBMCVRBOE-UHFFFAOYSA-N 1 2 319.792 3.057 20 10 DGCDLO C[N@H+](Cc1ccns1)Cc1cccc(Br)c1O ZINC000895454140 618785725 /nfs/dbraw/zinc/78/57/25/618785725.db2.gz VGZYVKPPJMKANC-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO C[N@@H+](Cc1ccns1)Cc1cccc(Br)c1O ZINC000895454140 618785726 /nfs/dbraw/zinc/78/57/26/618785726.db2.gz VGZYVKPPJMKANC-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CC(CC2CCOCC2)C1 ZINC000895616798 618807457 /nfs/dbraw/zinc/80/74/57/618807457.db2.gz YYQPKPVXCAWOLQ-UHFFFAOYSA-N 1 2 313.800 3.433 20 10 DGCDLO Cc1nc(CC2CC[NH+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000896550895 618927458 /nfs/dbraw/zinc/92/74/58/618927458.db2.gz GSBVXRMMSKUUTQ-UHFFFAOYSA-N 1 2 321.808 3.192 20 10 DGCDLO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cccc(Cl)c3O)C2)n1 ZINC000897046451 619006316 /nfs/dbraw/zinc/00/63/16/619006316.db2.gz ZEZLPBXOFIHSKW-ZYHUDNBSSA-N 1 2 321.808 3.417 20 10 DGCDLO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000897579266 619162414 /nfs/dbraw/zinc/16/24/14/619162414.db2.gz SFPKFFCRUSPBFB-LBPRGKRZSA-N 1 2 321.808 3.192 20 10 DGCDLO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000897579266 619162415 /nfs/dbraw/zinc/16/24/15/619162415.db2.gz SFPKFFCRUSPBFB-LBPRGKRZSA-N 1 2 321.808 3.192 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000898219574 619222796 /nfs/dbraw/zinc/22/27/96/619222796.db2.gz ZUGWCJWEKWSLPT-MWLCHTKSSA-N 1 2 309.715 3.245 20 10 DGCDLO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2O)C1 ZINC000903450389 619778517 /nfs/dbraw/zinc/77/85/17/619778517.db2.gz GYSNPPHVMBWSHU-FOGDFJRCSA-N 1 2 313.344 3.053 20 10 DGCDLO C[C@@H]([NH2+][C@H]1CC12CC2)c1cc(Br)c(F)cc1O ZINC000818357166 620899766 /nfs/dbraw/zinc/89/97/66/620899766.db2.gz VUVFASOGPJOLQD-KRTXAFLBSA-N 1 2 300.171 3.497 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000922471589 621042869 /nfs/dbraw/zinc/04/28/69/621042869.db2.gz WVFRTKHEBBGODO-UHFFFAOYSA-N 1 2 312.797 3.420 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000922520849 621050136 /nfs/dbraw/zinc/05/01/36/621050136.db2.gz FTHCCNVIDWBIQF-ZFWWWQNUSA-N 1 2 309.287 3.232 20 10 DGCDLO Cc1cc(C[N@@H+]2Cc3ccccc3N(C)C(=O)C2)ccc1N(C)C ZINC000857887221 621127690 /nfs/dbraw/zinc/12/76/90/621127690.db2.gz PMXPPXOBHJIOSA-UHFFFAOYSA-N 1 2 323.440 3.040 20 10 DGCDLO Cc1cc(C[N@H+]2Cc3ccccc3N(C)C(=O)C2)ccc1N(C)C ZINC000857887221 621127691 /nfs/dbraw/zinc/12/76/91/621127691.db2.gz PMXPPXOBHJIOSA-UHFFFAOYSA-N 1 2 323.440 3.040 20 10 DGCDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000858172119 621160901 /nfs/dbraw/zinc/16/09/01/621160901.db2.gz KLCYEDFOSUWJSG-SNVBAGLBSA-N 1 2 324.222 3.222 20 10 DGCDLO CC[C@@H]([NH2+]CCN(C)CC(F)F)c1cccc(Cl)c1O ZINC000858596324 621208121 /nfs/dbraw/zinc/20/81/21/621208121.db2.gz FCLRDIFMHHEUKC-GFCCVEGCSA-N 1 2 306.784 3.283 20 10 DGCDLO CC[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cccc(Cl)c1O ZINC000806139568 621390595 /nfs/dbraw/zinc/39/05/95/621390595.db2.gz PRPWBNZACDWTJE-WFASDCNBSA-N 1 2 313.825 3.139 20 10 DGCDLO CCO[C@H](C)c1noc(C[N@H+](C)Cc2cc(C)cc(C)c2O)n1 ZINC000754742166 621530055 /nfs/dbraw/zinc/53/00/55/621530055.db2.gz RBQGHLIKPJMBOW-CYBMUJFWSA-N 1 2 319.405 3.122 20 10 DGCDLO CCO[C@H](C)c1noc(C[N@@H+](C)Cc2cc(C)cc(C)c2O)n1 ZINC000754742166 621530057 /nfs/dbraw/zinc/53/00/57/621530057.db2.gz RBQGHLIKPJMBOW-CYBMUJFWSA-N 1 2 319.405 3.122 20 10 DGCDLO CN(C)c1cc(F)c(C[N@H+](C)Cc2cccc(O)c2)cc1F ZINC000862213116 621562272 /nfs/dbraw/zinc/56/22/72/621562272.db2.gz VQLFPHKRPYNYBE-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO CN(C)c1cc(F)c(C[N@@H+](C)Cc2cccc(O)c2)cc1F ZINC000862213116 621562274 /nfs/dbraw/zinc/56/22/74/621562274.db2.gz VQLFPHKRPYNYBE-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO C[C@H]([NH2+]CCN1CCc2ccccc21)c1cc(F)cc(F)c1O ZINC000756483822 621641242 /nfs/dbraw/zinc/64/12/42/621641242.db2.gz RWUGOZRROCUYNJ-LBPRGKRZSA-N 1 2 318.367 3.384 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1O ZINC000756514034 621643935 /nfs/dbraw/zinc/64/39/35/621643935.db2.gz CXPNFRYVORKIHS-SNVBAGLBSA-N 1 2 305.324 3.456 20 10 DGCDLO CO[C@H](C)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756526977 621645055 /nfs/dbraw/zinc/64/50/55/621645055.db2.gz IPHCPXLLRDQBMP-BDAKNGLRSA-N 1 2 320.202 3.369 20 10 DGCDLO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756713057 621659786 /nfs/dbraw/zinc/65/97/86/621659786.db2.gz SPVADNMRZFGIIX-PEBVRCNWSA-N 1 2 321.367 3.486 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1CCSC1)c1cc(Br)cc(F)c1O ZINC000756730869 621661241 /nfs/dbraw/zinc/66/12/41/621661241.db2.gz CAVAHPSCJHHFHC-VXNVDRBHSA-N 1 2 320.227 3.450 20 10 DGCDLO C[C@@H]([NH2+][C@H]1CCSC1)c1cc(Br)c(F)cc1O ZINC000756734146 621661256 /nfs/dbraw/zinc/66/12/56/621661256.db2.gz UXXAKLGRPUTGIZ-SFYZADRCSA-N 1 2 320.227 3.450 20 10 DGCDLO C[C@H]([NH2+]CCc1ccc(CO)cc1)c1cc(F)cc(F)c1O ZINC000756787990 621664950 /nfs/dbraw/zinc/66/49/50/621664950.db2.gz AMASOHCNCNUUQJ-NSHDSACASA-N 1 2 307.340 3.056 20 10 DGCDLO Cn1c(Cl)nc(Cl)c1C[N@H+](C)Cc1ccccc1O ZINC000120063369 621769418 /nfs/dbraw/zinc/76/94/18/621769418.db2.gz PEGZVYWYRFJXLS-UHFFFAOYSA-N 1 2 300.189 3.065 20 10 DGCDLO Cn1c(Cl)nc(Cl)c1C[N@@H+](C)Cc1ccccc1O ZINC000120063369 621769423 /nfs/dbraw/zinc/76/94/23/621769423.db2.gz PEGZVYWYRFJXLS-UHFFFAOYSA-N 1 2 300.189 3.065 20 10 DGCDLO Cn1cc(C(F)F)c(C[NH2+]Cc2c(O)ccc(Cl)c2F)n1 ZINC000865808827 621998988 /nfs/dbraw/zinc/99/89/88/621998988.db2.gz UCWIMHGJNCFLRM-UHFFFAOYSA-N 1 2 319.714 3.146 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1F ZINC000866247991 622075383 /nfs/dbraw/zinc/07/53/83/622075383.db2.gz IWBCCIRSNACPTB-QAPCUYQASA-N 1 2 318.367 3.453 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000789768422 625564011 /nfs/dbraw/zinc/56/40/11/625564011.db2.gz GZJKQVKQHLORRT-CQSZACIVSA-N 1 2 322.767 3.233 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000789768422 625564020 /nfs/dbraw/zinc/56/40/20/625564020.db2.gz GZJKQVKQHLORRT-CQSZACIVSA-N 1 2 322.767 3.233 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000768235641 622447057 /nfs/dbraw/zinc/44/70/57/622447057.db2.gz BULGCCHBJGPPKX-IBGZPJMESA-N 1 2 314.404 3.465 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000768235641 622447059 /nfs/dbraw/zinc/44/70/59/622447059.db2.gz BULGCCHBJGPPKX-IBGZPJMESA-N 1 2 314.404 3.465 20 10 DGCDLO C[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCO[C@@H]1C1CC1 ZINC000768540591 622463408 /nfs/dbraw/zinc/46/34/08/622463408.db2.gz JMOJNWIXWOTSSZ-HZPDHXFCSA-N 1 2 313.800 3.480 20 10 DGCDLO CCOc1cccc(C[N@H+](C)Cc2csc(CC)n2)c1O ZINC000769120353 622500210 /nfs/dbraw/zinc/50/02/10/622500210.db2.gz LPEDYAQQPRAART-UHFFFAOYSA-N 1 2 306.431 3.442 20 10 DGCDLO CCOc1cccc(C[N@@H+](C)Cc2csc(CC)n2)c1O ZINC000769120353 622500215 /nfs/dbraw/zinc/50/02/15/622500215.db2.gz LPEDYAQQPRAART-UHFFFAOYSA-N 1 2 306.431 3.442 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1ccc(C)cc1)Cc1ccccc1O ZINC000770510015 622640362 /nfs/dbraw/zinc/64/03/62/622640362.db2.gz HADILBHAIIZAOJ-UHFFFAOYSA-N 1 2 313.397 3.266 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1ccc(C)cc1)Cc1ccccc1O ZINC000770510015 622640365 /nfs/dbraw/zinc/64/03/65/622640365.db2.gz HADILBHAIIZAOJ-UHFFFAOYSA-N 1 2 313.397 3.266 20 10 DGCDLO CC[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc(Cl)c1O ZINC000872112336 622813638 /nfs/dbraw/zinc/81/36/38/622813638.db2.gz JCHTWLFMBCFYCX-RISCZKNCSA-N 1 2 311.809 3.430 20 10 DGCDLO Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1O ZINC000124542448 623155842 /nfs/dbraw/zinc/15/58/42/623155842.db2.gz NRYGLPVKANIVOX-WDEREUQCSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1O ZINC000124542448 623155843 /nfs/dbraw/zinc/15/58/43/623155843.db2.gz NRYGLPVKANIVOX-WDEREUQCSA-N 1 2 314.223 3.072 20 10 DGCDLO CCOC(=O)c1c[nH+]c2ccccc2c1NCc1ccccc1O ZINC000774523070 623156029 /nfs/dbraw/zinc/15/60/29/623156029.db2.gz DRUXNPLIMDWHKQ-UHFFFAOYSA-N 1 2 322.364 3.151 20 10 DGCDLO C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(N(C)C)cc1 ZINC000775637773 623301313 /nfs/dbraw/zinc/30/13/13/623301313.db2.gz XRAWQTSTPKWVRI-CYBMUJFWSA-N 1 2 323.400 3.283 20 10 DGCDLO CC1(C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@H]2CCCO[C@H]21 ZINC000776223537 623399166 /nfs/dbraw/zinc/39/91/66/623399166.db2.gz JJGPEYWKCSFTOZ-KCPJHIHWSA-N 1 2 313.800 3.478 20 10 DGCDLO CC(C)COC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000776574082 623441903 /nfs/dbraw/zinc/44/19/03/623441903.db2.gz BTIRHHWORNJIIH-UHFFFAOYSA-N 1 2 318.461 3.308 20 10 DGCDLO CC(C)COC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000776574082 623441906 /nfs/dbraw/zinc/44/19/06/623441906.db2.gz BTIRHHWORNJIIH-UHFFFAOYSA-N 1 2 318.461 3.308 20 10 DGCDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876956087 623753970 /nfs/dbraw/zinc/75/39/70/623753970.db2.gz GHTWHLYYAMKNOG-ZDUSSCGKSA-N 1 2 309.360 3.071 20 10 DGCDLO Oc1c(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc(F)c1F ZINC000877541522 623934051 /nfs/dbraw/zinc/93/40/51/623934051.db2.gz PKAGPYXRTBZAFF-CJNGLKHVSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1c(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc(F)c1F ZINC000877541522 623934055 /nfs/dbraw/zinc/93/40/55/623934055.db2.gz PKAGPYXRTBZAFF-CJNGLKHVSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cnc([C@@H]3CCCO3)s1)C2 ZINC000877702789 623997108 /nfs/dbraw/zinc/99/71/08/623997108.db2.gz HQMIWXALYCUIPV-HNNXBMFYSA-N 1 2 302.399 3.216 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cnc([C@@H]3CCCO3)s1)C2 ZINC000877702789 623997116 /nfs/dbraw/zinc/99/71/16/623997116.db2.gz HQMIWXALYCUIPV-HNNXBMFYSA-N 1 2 302.399 3.216 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1c(C3CC3)nc3sccn13)C2 ZINC000877702814 623997843 /nfs/dbraw/zinc/99/78/43/623997843.db2.gz IPJDHYCJNSPXLD-UHFFFAOYSA-N 1 2 311.410 3.495 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1c(C3CC3)nc3sccn13)C2 ZINC000877702814 623997847 /nfs/dbraw/zinc/99/78/47/623997847.db2.gz IPJDHYCJNSPXLD-UHFFFAOYSA-N 1 2 311.410 3.495 20 10 DGCDLO COc1ccc(O)c([C@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)C2CC2)c1 ZINC000878360769 624256048 /nfs/dbraw/zinc/25/60/48/624256048.db2.gz RJPPGARLVXSVKC-ZBEGNZNMSA-N 1 2 321.417 3.172 20 10 DGCDLO CC[C@@H]([NH2+]CC1(OC)CCOCC1)c1cccc(Cl)c1O ZINC000806149463 624438546 /nfs/dbraw/zinc/43/85/46/624438546.db2.gz SYPMAVCOYBFGJX-CQSZACIVSA-N 1 2 313.825 3.282 20 10 DGCDLO CCc1nnc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)s1 ZINC000784124166 624441552 /nfs/dbraw/zinc/44/15/52/624441552.db2.gz ILEBRAJZQWRFRP-UHFFFAOYSA-N 1 2 304.463 3.189 20 10 DGCDLO CCc1nnc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)s1 ZINC000784124166 624441556 /nfs/dbraw/zinc/44/15/56/624441556.db2.gz ILEBRAJZQWRFRP-UHFFFAOYSA-N 1 2 304.463 3.189 20 10 DGCDLO CCOC(CC[NH2+]Cc1cc(Cl)cc(F)c1O)OCC ZINC000787431357 625009616 /nfs/dbraw/zinc/00/96/16/625009616.db2.gz ADHWKSDJDXWRQR-UHFFFAOYSA-N 1 2 305.777 3.064 20 10 DGCDLO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000882978756 625882066 /nfs/dbraw/zinc/88/20/66/625882066.db2.gz AUOLLVNJZSRPPV-LLVKDONJSA-N 1 2 307.340 3.487 20 10 DGCDLO CN1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@@H]1c1ccccc1 ZINC000883077305 625918570 /nfs/dbraw/zinc/91/85/70/625918570.db2.gz FOCHUTZDJPVNJB-SJORKVTESA-N 1 2 318.367 3.205 20 10 DGCDLO COCC[C@@H](C)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883146041 625942473 /nfs/dbraw/zinc/94/24/73/625942473.db2.gz XOKXGEIILOXMBD-SECBINFHSA-N 1 2 320.202 3.056 20 10 DGCDLO C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000799732131 626325983 /nfs/dbraw/zinc/32/59/83/626325983.db2.gz VKAAVDOJNYLGSX-SWLSCSKDSA-N 1 2 321.367 3.315 20 10 DGCDLO OCC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1O ZINC000799738956 626326934 /nfs/dbraw/zinc/32/69/34/626326934.db2.gz DHHPEECXYIXCEG-OAHLLOKOSA-N 1 2 305.805 3.129 20 10 DGCDLO OCC[C@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000799739049 626327104 /nfs/dbraw/zinc/32/71/04/626327104.db2.gz IEVVCGPFGRLDIB-OAHLLOKOSA-N 1 2 323.795 3.268 20 10 DGCDLO FC(F)[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000802655470 626565165 /nfs/dbraw/zinc/56/51/65/626565165.db2.gz XKVMIMTWFOIJTQ-MRXNPFEDSA-N 1 2 310.388 3.143 20 10 DGCDLO FC(F)[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000802655470 626565168 /nfs/dbraw/zinc/56/51/68/626565168.db2.gz XKVMIMTWFOIJTQ-MRXNPFEDSA-N 1 2 310.388 3.143 20 10 DGCDLO FC(F)[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000802655469 626565174 /nfs/dbraw/zinc/56/51/74/626565174.db2.gz XKVMIMTWFOIJTQ-INIZCTEOSA-N 1 2 310.388 3.143 20 10 DGCDLO FC(F)[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000802655469 626565177 /nfs/dbraw/zinc/56/51/77/626565177.db2.gz XKVMIMTWFOIJTQ-INIZCTEOSA-N 1 2 310.388 3.143 20 10 DGCDLO C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccc(N(C)C)cc1 ZINC000804622138 626698792 /nfs/dbraw/zinc/69/87/92/626698792.db2.gz UHMGLFFDQGEGEN-AWEZNQCLSA-N 1 2 311.433 3.316 20 10 DGCDLO C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccc(N(C)C)cc1 ZINC000804622138 626698795 /nfs/dbraw/zinc/69/87/95/626698795.db2.gz UHMGLFFDQGEGEN-AWEZNQCLSA-N 1 2 311.433 3.316 20 10 DGCDLO CC[C@@H]([NH2+]CCCN1CCCCC1=O)c1cccc(Cl)c1O ZINC000806138645 626700937 /nfs/dbraw/zinc/70/09/37/626700937.db2.gz YQONCNVUGPABEE-OAHLLOKOSA-N 1 2 324.852 3.489 20 10 DGCDLO Cn1ccnc1[C@@H]1[N@H+](Cc2cc3c(cc2O)CCC3)CC1(C)C ZINC000840106780 626764217 /nfs/dbraw/zinc/76/42/17/626764217.db2.gz HOGAKQGQLKTSKL-KRWDZBQOSA-N 1 2 311.429 3.198 20 10 DGCDLO Cn1ccnc1[C@@H]1[N@@H+](Cc2cc3c(cc2O)CCC3)CC1(C)C ZINC000840106780 626764220 /nfs/dbraw/zinc/76/42/20/626764220.db2.gz HOGAKQGQLKTSKL-KRWDZBQOSA-N 1 2 311.429 3.198 20 10 DGCDLO C[S@](=O)Cc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000809718385 626941242 /nfs/dbraw/zinc/94/12/42/626941242.db2.gz JFVVZYCUTSOPIG-NRFANRHFSA-N 1 2 323.845 3.214 20 10 DGCDLO COC(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000809729373 626942443 /nfs/dbraw/zinc/94/24/43/626942443.db2.gz GADSRNWDXRKEGO-UHFFFAOYSA-N 1 2 323.751 3.261 20 10 DGCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H](O)c1ccccc1 ZINC000809786745 626952912 /nfs/dbraw/zinc/95/29/12/626952912.db2.gz JYBKEOMHBUEHND-ZUZCIYMTSA-N 1 2 309.768 3.396 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](O)c1ccccc1 ZINC000809786742 626953319 /nfs/dbraw/zinc/95/33/19/626953319.db2.gz JYBKEOMHBUEHND-BMIGLBTASA-N 1 2 309.768 3.396 20 10 DGCDLO CC1(C)C[N@H+](Cc2cc(F)ccc2O)C[C@H](C(F)(F)F)O1 ZINC000814176618 627546705 /nfs/dbraw/zinc/54/67/05/627546705.db2.gz SJMCIMHPZCNIPY-GFCCVEGCSA-N 1 2 307.287 3.073 20 10 DGCDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2O)C[C@H](C(F)(F)F)O1 ZINC000814176618 627546706 /nfs/dbraw/zinc/54/67/06/627546706.db2.gz SJMCIMHPZCNIPY-GFCCVEGCSA-N 1 2 307.287 3.073 20 10 DGCDLO CN(C)c1ccc(C[N@H+](Cc2cnn(C)c2Cl)C2CC2)cc1 ZINC000816484424 627796154 /nfs/dbraw/zinc/79/61/54/627796154.db2.gz BQZHPQZPBTWFKR-UHFFFAOYSA-N 1 2 318.852 3.304 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](Cc2cnn(C)c2Cl)C2CC2)cc1 ZINC000816484424 627796155 /nfs/dbraw/zinc/79/61/55/627796155.db2.gz BQZHPQZPBTWFKR-UHFFFAOYSA-N 1 2 318.852 3.304 20 10 DGCDLO COC(=O)C[N@H+](Cc1cc(Cl)c(F)cc1O)C1CCCC1 ZINC000816516088 627800258 /nfs/dbraw/zinc/80/02/58/627800258.db2.gz UWHJYFFDLHMLBB-UHFFFAOYSA-N 1 2 315.772 3.102 20 10 DGCDLO COC(=O)C[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CCCC1 ZINC000816516088 627800260 /nfs/dbraw/zinc/80/02/60/627800260.db2.gz UWHJYFFDLHMLBB-UHFFFAOYSA-N 1 2 315.772 3.102 20 10 DGCDLO CC(C)Cn1ccnc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816563126 627808453 /nfs/dbraw/zinc/80/84/53/627808453.db2.gz LFSXTKICJPNMPO-UHFFFAOYSA-N 1 2 311.788 3.327 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000816566344 627809145 /nfs/dbraw/zinc/80/91/45/627809145.db2.gz RTOUVSNTLRCJPW-VIFPVBQESA-N 1 2 309.715 3.388 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000816566344 627809148 /nfs/dbraw/zinc/80/91/48/627809148.db2.gz RTOUVSNTLRCJPW-VIFPVBQESA-N 1 2 309.715 3.388 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1cc(Cl)c(F)cc1O)C1CCC1 ZINC000816570758 627810308 /nfs/dbraw/zinc/81/03/08/627810308.db2.gz GUTIQCFEFQHZCQ-UHFFFAOYSA-N 1 2 315.772 3.102 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CCC1 ZINC000816570758 627810310 /nfs/dbraw/zinc/81/03/10/627810310.db2.gz GUTIQCFEFQHZCQ-UHFFFAOYSA-N 1 2 315.772 3.102 20 10 DGCDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@H+]2CC[C@@H]1CCOC1=O ZINC000817299130 627879788 /nfs/dbraw/zinc/87/97/88/627879788.db2.gz VNKPZOOUJICHIT-GDBMZVCRSA-N 1 2 317.429 3.283 20 10 DGCDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@@H+]2CC[C@@H]1CCOC1=O ZINC000817299130 627879792 /nfs/dbraw/zinc/87/97/92/627879792.db2.gz VNKPZOOUJICHIT-GDBMZVCRSA-N 1 2 317.429 3.283 20 10 DGCDLO c1csc(SCc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000817581085 627924670 /nfs/dbraw/zinc/92/46/70/627924670.db2.gz NBXZIQIGOZOBEE-UHFFFAOYSA-N 1 2 306.456 3.268 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1sccc1C)Cc1ccccc1O ZINC000822511291 628459498 /nfs/dbraw/zinc/45/94/98/628459498.db2.gz BCHWSAYUOCDTHV-UHFFFAOYSA-N 1 2 319.426 3.327 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1sccc1C)Cc1ccccc1O ZINC000822511291 628459499 /nfs/dbraw/zinc/45/94/99/628459499.db2.gz BCHWSAYUOCDTHV-UHFFFAOYSA-N 1 2 319.426 3.327 20 10 DGCDLO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000824426858 628659660 /nfs/dbraw/zinc/65/96/60/628659660.db2.gz DSXLJFQHJLHRBQ-MSOLQXFVSA-N 1 2 314.454 3.358 20 10 DGCDLO CN(Cc1cccs1)c1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000824426858 628659662 /nfs/dbraw/zinc/65/96/62/628659662.db2.gz DSXLJFQHJLHRBQ-MSOLQXFVSA-N 1 2 314.454 3.358 20 10 DGCDLO CC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C(F)F ZINC000824510673 628666043 /nfs/dbraw/zinc/66/60/43/628666043.db2.gz YNQKMBIFSJEPDH-VIFPVBQESA-N 1 2 324.165 3.297 20 10 DGCDLO Cc1cc(O)c(C[N@H+](C)Cc2csc(C(C)(C)O)n2)cc1C ZINC000825153616 628733852 /nfs/dbraw/zinc/73/38/52/628733852.db2.gz PPEJCXRTNFZYNZ-UHFFFAOYSA-N 1 2 320.458 3.325 20 10 DGCDLO Cc1cc(O)c(C[N@@H+](C)Cc2csc(C(C)(C)O)n2)cc1C ZINC000825153616 628733853 /nfs/dbraw/zinc/73/38/53/628733853.db2.gz PPEJCXRTNFZYNZ-UHFFFAOYSA-N 1 2 320.458 3.325 20 10 DGCDLO COC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000825321904 628749534 /nfs/dbraw/zinc/74/95/34/628749534.db2.gz QNHZZSKUDBFFRP-LLVKDONJSA-N 1 2 301.789 3.433 20 10 DGCDLO COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000825321904 628749538 /nfs/dbraw/zinc/74/95/38/628749538.db2.gz QNHZZSKUDBFFRP-LLVKDONJSA-N 1 2 301.789 3.433 20 10 DGCDLO CC(C)(CN1CCCC1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000825325664 628750100 /nfs/dbraw/zinc/75/01/00/628750100.db2.gz GROVEBAHJGGGMB-UHFFFAOYSA-N 1 2 300.805 3.149 20 10 DGCDLO Oc1ccc2c(c1)C[N@@H+](Cc1c(O)cccc1Cl)CCO2 ZINC000827656249 628980406 /nfs/dbraw/zinc/98/04/06/628980406.db2.gz HROCCSRYZRFRGB-UHFFFAOYSA-N 1 2 305.761 3.146 20 10 DGCDLO Oc1ccc2c(c1)C[N@H+](Cc1c(O)cccc1Cl)CCO2 ZINC000827656249 628980412 /nfs/dbraw/zinc/98/04/12/628980412.db2.gz HROCCSRYZRFRGB-UHFFFAOYSA-N 1 2 305.761 3.146 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H](CC(F)(F)F)O1 ZINC000827787102 628991163 /nfs/dbraw/zinc/99/11/63/628991163.db2.gz MIOJUKQUNMDJQU-CABZTGNLSA-N 1 2 307.287 3.073 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H](CC(F)(F)F)O1 ZINC000827787102 628991165 /nfs/dbraw/zinc/99/11/65/628991165.db2.gz MIOJUKQUNMDJQU-CABZTGNLSA-N 1 2 307.287 3.073 20 10 DGCDLO COC(=O)C[N@H+](Cc1ccc(N2CCCCC2)c(C)c1)C1CC1 ZINC000828012401 629014231 /nfs/dbraw/zinc/01/42/31/629014231.db2.gz OCDKIWJZCXSUNP-UHFFFAOYSA-N 1 2 316.445 3.123 20 10 DGCDLO COC(=O)C[N@@H+](Cc1ccc(N2CCCCC2)c(C)c1)C1CC1 ZINC000828012401 629014234 /nfs/dbraw/zinc/01/42/34/629014234.db2.gz OCDKIWJZCXSUNP-UHFFFAOYSA-N 1 2 316.445 3.123 20 10 DGCDLO Cc1cc(C(=O)C[NH+]2[C@H](C)C[C@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000829335280 629150562 /nfs/dbraw/zinc/15/05/62/629150562.db2.gz DWWRWJRUOVTJBN-VXGBXAGGSA-N 1 2 315.392 3.294 20 10 DGCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H](C)[C@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000830027957 629218593 /nfs/dbraw/zinc/21/85/93/629218593.db2.gz CRGQEIXIIMDCOA-DGCLKSJQSA-N 1 2 315.392 3.151 20 10 DGCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000830027957 629218598 /nfs/dbraw/zinc/21/85/98/629218598.db2.gz CRGQEIXIIMDCOA-DGCLKSJQSA-N 1 2 315.392 3.151 20 10 DGCDLO CC[C@@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1cccc(Cl)c1O ZINC000834896558 629801005 /nfs/dbraw/zinc/80/10/05/629801005.db2.gz LEFLXPKFCXJCJS-IAQYHMDHSA-N 1 2 307.825 3.451 20 10 DGCDLO C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000840868198 630369607 /nfs/dbraw/zinc/36/96/07/630369607.db2.gz VXGGYBUTHJXWNP-NSHDSACASA-N 1 2 324.350 3.412 20 10 DGCDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cc(F)cc(F)c1O ZINC000840892052 630373576 /nfs/dbraw/zinc/37/35/76/630373576.db2.gz UGDCTVURIPLMHV-SSDOTTSWSA-N 1 2 311.357 3.250 20 10 DGCDLO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000840956046 630384436 /nfs/dbraw/zinc/38/44/36/630384436.db2.gz IBGNGHNASOMPTH-WBVHZDCISA-N 1 2 303.789 3.448 20 10 DGCDLO [NH3+]CC[C@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000841090875 630406940 /nfs/dbraw/zinc/40/69/40/630406940.db2.gz PCJIPNJUFOTWQD-VIFPVBQESA-N 1 2 317.138 3.068 20 10 DGCDLO COc1cccc([C@@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000846160269 631212756 /nfs/dbraw/zinc/21/27/56/631212756.db2.gz NPJVSAGMACCBRU-DOMZBBRYSA-N 1 2 323.433 3.418 20 10 DGCDLO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1O ZINC000846206270 631214762 /nfs/dbraw/zinc/21/47/62/631214762.db2.gz OYXNBHSREYCYJM-IAQYHMDHSA-N 1 2 322.836 3.097 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C(C)=O)CC2)c1O ZINC000846949884 631362754 /nfs/dbraw/zinc/36/27/54/631362754.db2.gz GELZYBDRHVMLGZ-UHFFFAOYSA-N 1 2 309.793 3.049 20 10 DGCDLO CCCCN(Cc1ccccc1O)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000848046765 631603363 /nfs/dbraw/zinc/60/33/63/631603363.db2.gz ZHWKVTATWXDUQM-CQSZACIVSA-N 1 2 315.417 3.123 20 10 DGCDLO CCCCN(Cc1ccccc1O)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000848046765 631603367 /nfs/dbraw/zinc/60/33/67/631603367.db2.gz ZHWKVTATWXDUQM-CQSZACIVSA-N 1 2 315.417 3.123 20 10 DGCDLO CCc1cccc(C[N@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000848888111 631772848 /nfs/dbraw/zinc/77/28/48/631772848.db2.gz MFWUULZCCXDRKK-GXFFZTMASA-N 1 2 303.324 3.106 20 10 DGCDLO CCc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1O ZINC000848888111 631772850 /nfs/dbraw/zinc/77/28/50/631772850.db2.gz MFWUULZCCXDRKK-GXFFZTMASA-N 1 2 303.324 3.106 20 10 DGCDLO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)CO1 ZINC000708114989 660918006 /nfs/dbraw/zinc/91/80/06/660918006.db2.gz QQQHOMVCAZQMGD-XVKPBYJWSA-N 1 2 320.614 3.075 20 10 DGCDLO CC[C@H](C[NH2+]Cc1cc(Cl)cc(Br)c1O)OC ZINC000708100275 660918067 /nfs/dbraw/zinc/91/80/67/660918067.db2.gz UWVCWUVUEFRFSB-SNVBAGLBSA-N 1 2 322.630 3.323 20 10 DGCDLO CC[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccc(C)cc1O ZINC000794811792 661106442 /nfs/dbraw/zinc/10/64/42/661106442.db2.gz HYDCHTFQNGOWJF-INIZCTEOSA-N 1 2 315.417 3.087 20 10 DGCDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000795694243 661168224 /nfs/dbraw/zinc/16/82/24/661168224.db2.gz OSAAHCFVSUVOIY-MEBBXXQBSA-N 1 2 315.335 3.033 20 10 DGCDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000795694243 661168226 /nfs/dbraw/zinc/16/82/26/661168226.db2.gz OSAAHCFVSUVOIY-MEBBXXQBSA-N 1 2 315.335 3.033 20 10 DGCDLO CNC(=O)C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000796035999 661186622 /nfs/dbraw/zinc/18/66/22/661186622.db2.gz FKHBXJQUAXGFMU-OAHLLOKOSA-N 1 2 318.804 3.013 20 10 DGCDLO C[C@H]1SCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000309783729 655882824 /nfs/dbraw/zinc/88/28/24/655882824.db2.gz NNFCAUUVYBYZOY-KCJUWKMLSA-N 1 2 302.237 3.138 20 10 DGCDLO COC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(C)C ZINC000715745217 661214296 /nfs/dbraw/zinc/21/42/96/661214296.db2.gz OZSTXWUOPYQCIY-LBPRGKRZSA-N 1 2 320.202 3.054 20 10 DGCDLO CO[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)C1(C)C ZINC000227830040 659165423 /nfs/dbraw/zinc/16/54/23/659165423.db2.gz CDVGKJBIKDFXNC-NEPJUHHUSA-N 1 2 314.223 3.058 20 10 DGCDLO COCCC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCC1 ZINC001620832766 1192322708 /nfs/dbraw/zinc/32/27/08/1192322708.db2.gz RPMJBBKIDGTOCO-UHFFFAOYSA-N 1 2 301.789 3.481 20 10 DGCDLO COc1cc[nH+]cc1NCc1c(O)cccc1Br ZINC001620869849 1192502580 /nfs/dbraw/zinc/50/25/80/1192502580.db2.gz ZNSWDQCGWLEICC-UHFFFAOYSA-N 1 2 309.163 3.170 20 10 DGCDLO CC1CCN(CC[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC001461041655 1182760141 /nfs/dbraw/zinc/76/01/41/1182760141.db2.gz CMWKVAHYLVVXOL-UHFFFAOYSA-N 1 2 300.805 3.006 20 10 DGCDLO CCOC(=O)[C@H](C)[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC001462094198 1182907084 /nfs/dbraw/zinc/90/70/84/1182907084.db2.gz KOVDXAGUCZKNPL-LFAOLKIESA-N 1 2 316.445 3.182 20 10 DGCDLO CCOC(=O)[C@H](C)[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC001462094198 1182907088 /nfs/dbraw/zinc/90/70/88/1182907088.db2.gz KOVDXAGUCZKNPL-LFAOLKIESA-N 1 2 316.445 3.182 20 10 DGCDLO COC(=O)Cc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC001474645174 1183954686 /nfs/dbraw/zinc/95/46/86/1183954686.db2.gz DBUNOFMEYGTKEM-UHFFFAOYSA-N 1 2 319.788 3.051 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C(=O)OC(C)C)cc1Cl ZINC001560645800 1189354683 /nfs/dbraw/zinc/35/46/83/1189354683.db2.gz FHRQMIHBJNRALK-AWEZNQCLSA-N 1 2 311.809 3.270 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C(=O)OC(C)C)cc1Cl ZINC001560645800 1189354688 /nfs/dbraw/zinc/35/46/88/1189354688.db2.gz FHRQMIHBJNRALK-AWEZNQCLSA-N 1 2 311.809 3.270 20 10 DGCDLO CC(C)c1ncc(C[N@H+](C)Cc2cc(F)c(F)cc2O)cn1 ZINC001560778408 1189380376 /nfs/dbraw/zinc/38/03/76/1189380376.db2.gz IKVLRCICSTXTFS-UHFFFAOYSA-N 1 2 307.344 3.216 20 10 DGCDLO CC(C)c1ncc(C[N@@H+](C)Cc2cc(F)c(F)cc2O)cn1 ZINC001560778408 1189380381 /nfs/dbraw/zinc/38/03/81/1189380381.db2.gz IKVLRCICSTXTFS-UHFFFAOYSA-N 1 2 307.344 3.216 20 10 DGCDLO CN(C)c1cc(F)c(C[NH+]2CC(Cc3ccoc3)C2)cc1F ZINC001561039018 1189424487 /nfs/dbraw/zinc/42/44/87/1189424487.db2.gz GWQICALKLLXLJX-UHFFFAOYSA-N 1 2 306.356 3.298 20 10 DGCDLO OC[C@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001621074795 1193799327 /nfs/dbraw/zinc/79/93/27/1193799327.db2.gz JHOKPEOLBLFUOS-HNNXBMFYSA-N 1 2 323.795 3.268 20 10 DGCDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001621135738 1193807194 /nfs/dbraw/zinc/80/71/94/1193807194.db2.gz WGDSJEGHRXKFKF-UHFFFAOYSA-N 1 2 300.736 3.294 20 10 DGCDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001621135738 1193807195 /nfs/dbraw/zinc/80/71/95/1193807195.db2.gz WGDSJEGHRXKFKF-UHFFFAOYSA-N 1 2 300.736 3.294 20 10 DGCDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001621180922 1193813196 /nfs/dbraw/zinc/81/31/96/1193813196.db2.gz HIAZBEVYWVGHDW-SFHVURJKSA-N 1 2 319.351 3.418 20 10 DGCDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001621180922 1193813198 /nfs/dbraw/zinc/81/31/98/1193813198.db2.gz HIAZBEVYWVGHDW-SFHVURJKSA-N 1 2 319.351 3.418 20 10 DGCDLO CC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCCC1 ZINC001648775586 1195330736 /nfs/dbraw/zinc/33/07/36/1195330736.db2.gz RXLVODXHHIWLOI-CYBMUJFWSA-N 1 2 300.805 3.149 20 10 DGCDLO COc1nscc1C[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC001653155742 1195692793 /nfs/dbraw/zinc/69/27/93/1195692793.db2.gz NGYXREPSKLPSEM-AATRIKPKSA-N 1 2 317.458 3.363 20 10 DGCDLO COc1nscc1C[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC001653155742 1195692796 /nfs/dbraw/zinc/69/27/96/1195692796.db2.gz NGYXREPSKLPSEM-AATRIKPKSA-N 1 2 317.458 3.363 20 10 DGCDLO CCOC(=O)[C@@H]1C[C@H]1C[N@H+](CC1CC1)c1ccc(OC)cc1 ZINC001654495935 1195808805 /nfs/dbraw/zinc/80/88/05/1195808805.db2.gz UFXBPFHDQORGRU-WMLDXEAASA-N 1 2 303.402 3.111 20 10 DGCDLO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](CC1CC1)c1ccc(OC)cc1 ZINC001654495935 1195808808 /nfs/dbraw/zinc/80/88/08/1195808808.db2.gz UFXBPFHDQORGRU-WMLDXEAASA-N 1 2 303.402 3.111 20 10 DGCDLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2O)C12CCC2 ZINC001658434742 1196256155 /nfs/dbraw/zinc/25/61/55/1196256155.db2.gz OBJFKXKPLGMNOB-CABCVRRESA-N 1 2 311.372 3.450 20 10 DGCDLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2O)C12CCC2 ZINC001658434742 1196256159 /nfs/dbraw/zinc/25/61/59/1196256159.db2.gz OBJFKXKPLGMNOB-CABCVRRESA-N 1 2 311.372 3.450 20 10 DGCDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001659039970 1196335605 /nfs/dbraw/zinc/33/56/05/1196335605.db2.gz GKTPWDJPGGSMOW-OAHLLOKOSA-N 1 2 307.344 3.131 20 10 DGCDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001659039970 1196335608 /nfs/dbraw/zinc/33/56/08/1196335608.db2.gz GKTPWDJPGGSMOW-OAHLLOKOSA-N 1 2 307.344 3.131 20 10 DGCDLO Oc1c(F)c(F)ccc1C[NH2+]Cc1cc(F)cnc1Cl ZINC001659286243 1196368382 /nfs/dbraw/zinc/36/83/82/1196368382.db2.gz BRVUTMSLDKYOQW-UHFFFAOYSA-N 1 2 302.683 3.148 20 10 DGCDLO CN(C)c1cc(F)c(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1F ZINC001659373606 1196376242 /nfs/dbraw/zinc/37/62/42/1196376242.db2.gz SDWXUTVJCYOZGR-IAGOWNOFSA-N 1 2 324.415 3.420 20 10 DGCDLO CN(C)c1cc(F)c(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1F ZINC001659373606 1196376245 /nfs/dbraw/zinc/37/62/45/1196376245.db2.gz SDWXUTVJCYOZGR-IAGOWNOFSA-N 1 2 324.415 3.420 20 10 DGCDLO CN(C)c1cc(F)c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1F ZINC001659373605 1196376590 /nfs/dbraw/zinc/37/65/90/1196376590.db2.gz SDWXUTVJCYOZGR-DLBZAZTESA-N 1 2 324.415 3.420 20 10 DGCDLO CN(C)c1cc(F)c(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1F ZINC001659373605 1196376594 /nfs/dbraw/zinc/37/65/94/1196376594.db2.gz SDWXUTVJCYOZGR-DLBZAZTESA-N 1 2 324.415 3.420 20 10 DGCDLO Oc1c(C[NH2+]Cc2noc3cc(F)ccc23)ccc(F)c1F ZINC001659893445 1196426148 /nfs/dbraw/zinc/42/61/48/1196426148.db2.gz AWDAFFNTMGIFJY-UHFFFAOYSA-N 1 2 308.259 3.241 20 10 DGCDLO CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(F)c1O)C(C)C ZINC001660144265 1196450816 /nfs/dbraw/zinc/45/08/16/1196450816.db2.gz DOFJKOSFTNLPCR-UHFFFAOYSA-N 1 2 317.788 3.348 20 10 DGCDLO CCOC(=O)CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C(C)C ZINC001660144265 1196450818 /nfs/dbraw/zinc/45/08/18/1196450818.db2.gz DOFJKOSFTNLPCR-UHFFFAOYSA-N 1 2 317.788 3.348 20 10 DGCDLO C[C@H]1CCCN(CC[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001660915612 1196541869 /nfs/dbraw/zinc/54/18/69/1196541869.db2.gz IKIKSBPBCYRRRO-NSHDSACASA-N 1 2 300.805 3.006 20 10 DGCDLO Cc1nc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)nc2ccccc12 ZINC001661248414 1196588915 /nfs/dbraw/zinc/58/89/15/1196588915.db2.gz LCHPFXMGSCCCOW-UHFFFAOYSA-N 1 2 324.403 3.433 20 10 DGCDLO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001661421081 1196604225 /nfs/dbraw/zinc/60/42/25/1196604225.db2.gz SQWYDWLDAJYQDO-BZNIZROVSA-N 1 2 323.795 3.439 20 10 DGCDLO CCOC(OCC)[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001663514193 1196891643 /nfs/dbraw/zinc/89/16/43/1196891643.db2.gz QICZDBMNFBBWFI-SECBINFHSA-N 1 2 305.777 3.062 20 10 DGCDLO COc1ccccc1CC[N@H+](C)Cc1cc(F)cc(F)c1O ZINC001663880673 1196953832 /nfs/dbraw/zinc/95/38/32/1196953832.db2.gz XIAXGNPYALTBIZ-UHFFFAOYSA-N 1 2 307.340 3.354 20 10 DGCDLO COc1ccccc1CC[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC001663880673 1196953836 /nfs/dbraw/zinc/95/38/36/1196953836.db2.gz XIAXGNPYALTBIZ-UHFFFAOYSA-N 1 2 307.340 3.354 20 10 DGCDLO Cn1cc(C[N@H+](C)Cc2c(O)ccc(Cl)c2Cl)cn1 ZINC001237078005 1099958795 /nfs/dbraw/zinc/95/87/95/1099958795.db2.gz MFHQCCXMCAUQIC-UHFFFAOYSA-N 1 2 300.189 3.065 20 10 DGCDLO Cn1cc(C[N@@H+](C)Cc2c(O)ccc(Cl)c2Cl)cn1 ZINC001237078005 1099958807 /nfs/dbraw/zinc/95/88/07/1099958807.db2.gz MFHQCCXMCAUQIC-UHFFFAOYSA-N 1 2 300.189 3.065 20 10 DGCDLO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2CF)c1O ZINC001204340477 1083707847 /nfs/dbraw/zinc/70/78/47/1083707847.db2.gz SQBRIXIVACZCHW-LLVKDONJSA-N 1 2 318.186 3.097 20 10 DGCDLO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2CF)c1O ZINC001204340477 1083707851 /nfs/dbraw/zinc/70/78/51/1083707851.db2.gz SQBRIXIVACZCHW-LLVKDONJSA-N 1 2 318.186 3.097 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)ccc(F)c1F ZINC001183363826 1083927370 /nfs/dbraw/zinc/92/73/70/1083927370.db2.gz NRHZPLXDUKMLOF-AWEZNQCLSA-N 1 2 323.314 3.463 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)ccc(F)c1F ZINC001183363826 1083927373 /nfs/dbraw/zinc/92/73/73/1083927373.db2.gz NRHZPLXDUKMLOF-AWEZNQCLSA-N 1 2 323.314 3.463 20 10 DGCDLO COC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccc(F)cc1 ZINC001184277679 1084148773 /nfs/dbraw/zinc/14/87/73/1084148773.db2.gz LRGJGVFSBRPVIZ-CQSZACIVSA-N 1 2 311.303 3.287 20 10 DGCDLO CCN(CC)c1cc(NCc2c(C)cc(C)cc2O)[nH+]cn1 ZINC001160810964 1088974285 /nfs/dbraw/zinc/97/42/85/1088974285.db2.gz YCUNCFKMSGUMQD-UHFFFAOYSA-N 1 2 300.406 3.257 20 10 DGCDLO CCN(CC)c1cc(NCc2c(C)cc(C)cc2O)nc[nH+]1 ZINC001160810964 1088974301 /nfs/dbraw/zinc/97/43/01/1088974301.db2.gz YCUNCFKMSGUMQD-UHFFFAOYSA-N 1 2 300.406 3.257 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c(Cl)c1 ZINC001236800084 1089909282 /nfs/dbraw/zinc/90/92/82/1089909282.db2.gz WROAASVGRUIXHC-KGLIPLIRSA-N 1 2 305.752 3.326 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)c(Cl)c1 ZINC001236800084 1089909296 /nfs/dbraw/zinc/90/92/96/1089909296.db2.gz WROAASVGRUIXHC-KGLIPLIRSA-N 1 2 305.752 3.326 20 10 DGCDLO Cc1c(C[N@H+](C)Cc2nnc3ccccn32)c2ccccc2n1C ZINC001138252400 1091127018 /nfs/dbraw/zinc/12/70/18/1091127018.db2.gz FQAPOLPFCGLKPL-UHFFFAOYSA-N 1 2 319.412 3.161 20 10 DGCDLO Cc1c(C[N@@H+](C)Cc2nnc3ccccn32)c2ccccc2n1C ZINC001138252400 1091127022 /nfs/dbraw/zinc/12/70/22/1091127022.db2.gz FQAPOLPFCGLKPL-UHFFFAOYSA-N 1 2 319.412 3.161 20 10 DGCDLO C[C@@]1([NH3+])CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001205287913 1091165455 /nfs/dbraw/zinc/16/54/55/1091165455.db2.gz DAEMFOWVXDYGLY-CQSZACIVSA-N 1 2 303.233 3.402 20 10 DGCDLO C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001205287913 1091165458 /nfs/dbraw/zinc/16/54/58/1091165458.db2.gz DAEMFOWVXDYGLY-CQSZACIVSA-N 1 2 303.233 3.402 20 10 DGCDLO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(F)c(F)c1O)n2C ZINC001205478157 1091231063 /nfs/dbraw/zinc/23/10/63/1091231063.db2.gz VVUFQQGFZZBEIH-UHFFFAOYSA-N 1 2 317.339 3.155 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC2CCC(CC2)C1 ZINC001139129610 1091459239 /nfs/dbraw/zinc/45/92/39/1091459239.db2.gz BEEMHXPLRGQEHA-UHFFFAOYSA-N 1 2 313.397 3.429 20 10 DGCDLO Oc1c(F)ccc(F)c1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001139684447 1091641313 /nfs/dbraw/zinc/64/13/13/1091641313.db2.gz UYVRIOQXLMZUHP-ZDUSSCGKSA-N 1 2 304.340 3.273 20 10 DGCDLO Oc1c(F)ccc(F)c1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001139684447 1091641316 /nfs/dbraw/zinc/64/13/16/1091641316.db2.gz UYVRIOQXLMZUHP-ZDUSSCGKSA-N 1 2 304.340 3.273 20 10 DGCDLO COc1ccc2[nH]nc(C[N@H+](C)Cc3ccc(N(C)C)cc3)c2c1 ZINC001140070380 1091758637 /nfs/dbraw/zinc/75/86/37/1091758637.db2.gz FZTLQPSUGBHYED-UHFFFAOYSA-N 1 2 324.428 3.270 20 10 DGCDLO COc1ccc2[nH]nc(C[N@@H+](C)Cc3ccc(N(C)C)cc3)c2c1 ZINC001140070380 1091758640 /nfs/dbraw/zinc/75/86/40/1091758640.db2.gz FZTLQPSUGBHYED-UHFFFAOYSA-N 1 2 324.428 3.270 20 10 DGCDLO OC1CCN(c2ccc(C[N@@H+]3CCCCC(F)(F)C3)cc2)CC1 ZINC001140283234 1091816079 /nfs/dbraw/zinc/81/60/79/1091816079.db2.gz PUYMPHWNKJZXHN-UHFFFAOYSA-N 1 2 324.415 3.269 20 10 DGCDLO OC1CCN(c2ccc(C[N@H+]3CCCCC(F)(F)C3)cc2)CC1 ZINC001140283234 1091816082 /nfs/dbraw/zinc/81/60/82/1091816082.db2.gz PUYMPHWNKJZXHN-UHFFFAOYSA-N 1 2 324.415 3.269 20 10 DGCDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001140341432 1091835989 /nfs/dbraw/zinc/83/59/89/1091835989.db2.gz NMRYTUPHUWICTB-INIZCTEOSA-N 1 2 304.777 3.014 20 10 DGCDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140464669 1091876594 /nfs/dbraw/zinc/87/65/94/1091876594.db2.gz ZIHNSMCPLFKOPV-UHFFFAOYSA-N 1 2 317.772 3.348 20 10 DGCDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140464669 1091876604 /nfs/dbraw/zinc/87/66/04/1091876604.db2.gz ZIHNSMCPLFKOPV-UHFFFAOYSA-N 1 2 317.772 3.348 20 10 DGCDLO Oc1cc(F)cc(F)c1CN1CCC([NH+]2CCCCC2)CC1 ZINC001140580047 1091918124 /nfs/dbraw/zinc/91/81/24/1091918124.db2.gz POTOIHZRLPGBQO-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCc3ncsc3C2)c(Cl)c1 ZINC001140925116 1092064783 /nfs/dbraw/zinc/06/47/83/1092064783.db2.gz NXAJQAFIOYHGRR-UHFFFAOYSA-N 1 2 307.850 3.421 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCc3ncsc3C2)c(Cl)c1 ZINC001140925116 1092064791 /nfs/dbraw/zinc/06/47/91/1092064791.db2.gz NXAJQAFIOYHGRR-UHFFFAOYSA-N 1 2 307.850 3.421 20 10 DGCDLO Cc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c(Cl)n1 ZINC001142144010 1092419120 /nfs/dbraw/zinc/41/91/20/1092419120.db2.gz QEYIAXQJDWLZIB-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO Cc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c(Cl)n1 ZINC001142144010 1092419128 /nfs/dbraw/zinc/41/91/28/1092419128.db2.gz QEYIAXQJDWLZIB-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO CN(CC[N@H+](C)Cc1cc(F)c(F)cc1O)Cc1ccccc1 ZINC001142530966 1092496658 /nfs/dbraw/zinc/49/66/58/1092496658.db2.gz MUFQPGSUAVJSST-UHFFFAOYSA-N 1 2 320.383 3.234 20 10 DGCDLO CN(CC[N@@H+](C)Cc1cc(F)c(F)cc1O)Cc1ccccc1 ZINC001142530966 1092496665 /nfs/dbraw/zinc/49/66/65/1092496665.db2.gz MUFQPGSUAVJSST-UHFFFAOYSA-N 1 2 320.383 3.234 20 10 DGCDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)cc1OC)C2 ZINC001231853114 1097865840 /nfs/dbraw/zinc/86/58/40/1097865840.db2.gz FGXYCMVYKMWWHW-UHFFFAOYSA-N 1 2 312.413 3.286 20 10 DGCDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1OC)C2 ZINC001231853114 1097865844 /nfs/dbraw/zinc/86/58/44/1097865844.db2.gz FGXYCMVYKMWWHW-UHFFFAOYSA-N 1 2 312.413 3.286 20 10 DGCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)CC(C)C)CC2)cc1Cl ZINC001231870037 1097870251 /nfs/dbraw/zinc/87/02/51/1097870251.db2.gz GVFUGUMYOFLHPR-UHFFFAOYSA-N 1 2 324.852 3.044 20 10 DGCDLO Oc1c(Cl)cccc1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001231909615 1097887643 /nfs/dbraw/zinc/88/76/43/1097887643.db2.gz GNJGQTRFWAKBBK-UHFFFAOYSA-N 1 2 318.804 3.484 20 10 DGCDLO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231910956 1097890209 /nfs/dbraw/zinc/89/02/09/1097890209.db2.gz WTVVPLPHWVSFDD-LBPRGKRZSA-N 1 2 311.809 3.211 20 10 DGCDLO CCOC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231910956 1097890215 /nfs/dbraw/zinc/89/02/15/1097890215.db2.gz WTVVPLPHWVSFDD-LBPRGKRZSA-N 1 2 311.809 3.211 20 10 DGCDLO C[N@H+](Cc1cccc2c1OCO2)Cc1cccc(Cl)c1O ZINC001231913180 1097890256 /nfs/dbraw/zinc/89/02/56/1097890256.db2.gz GXPZSWCNZUKJRM-UHFFFAOYSA-N 1 2 305.761 3.406 20 10 DGCDLO C[N@@H+](Cc1cccc2c1OCO2)Cc1cccc(Cl)c1O ZINC001231913180 1097890260 /nfs/dbraw/zinc/89/02/60/1097890260.db2.gz GXPZSWCNZUKJRM-UHFFFAOYSA-N 1 2 305.761 3.406 20 10 DGCDLO Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(Cl)c3O)C2)nc1 ZINC001231913254 1097890333 /nfs/dbraw/zinc/89/03/33/1097890333.db2.gz JVUQLOVHNLNLKE-AWEZNQCLSA-N 1 2 318.804 3.402 20 10 DGCDLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)nc1 ZINC001231913254 1097890341 /nfs/dbraw/zinc/89/03/41/1097890341.db2.gz JVUQLOVHNLNLKE-AWEZNQCLSA-N 1 2 318.804 3.402 20 10 DGCDLO CCCCOC(=O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231913151 1097891019 /nfs/dbraw/zinc/89/10/19/1097891019.db2.gz GDMKZUDZXDBRFV-ZDUSSCGKSA-N 1 2 311.809 3.211 20 10 DGCDLO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231913151 1097891027 /nfs/dbraw/zinc/89/10/27/1097891027.db2.gz GDMKZUDZXDBRFV-ZDUSSCGKSA-N 1 2 311.809 3.211 20 10 DGCDLO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231914757 1097891942 /nfs/dbraw/zinc/89/19/42/1097891942.db2.gz PRDWBNLMCSYDBL-MRXNPFEDSA-N 1 2 311.809 3.211 20 10 DGCDLO CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231914757 1097891950 /nfs/dbraw/zinc/89/19/50/1097891950.db2.gz PRDWBNLMCSYDBL-MRXNPFEDSA-N 1 2 311.809 3.211 20 10 DGCDLO Oc1cc(O)c(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)cc1Cl ZINC001232259534 1097984437 /nfs/dbraw/zinc/98/44/37/1097984437.db2.gz KLANRKMRQIQQMJ-LBPRGKRZSA-N 1 2 309.715 3.320 20 10 DGCDLO Oc1cc(O)c(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)cc1Cl ZINC001232259534 1097984441 /nfs/dbraw/zinc/98/44/41/1097984441.db2.gz KLANRKMRQIQQMJ-LBPRGKRZSA-N 1 2 309.715 3.320 20 10 DGCDLO Oc1c(C[N@@H+]2CCC[C@@H](Oc3cccnc3)C2)ccc(F)c1F ZINC001233077410 1098220666 /nfs/dbraw/zinc/22/06/66/1098220666.db2.gz MQAXLQQZXUFQOO-CQSZACIVSA-N 1 2 320.339 3.109 20 10 DGCDLO Oc1c(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)ccc(F)c1F ZINC001233077410 1098220672 /nfs/dbraw/zinc/22/06/72/1098220672.db2.gz MQAXLQQZXUFQOO-CQSZACIVSA-N 1 2 320.339 3.109 20 10 DGCDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(F)c(F)c2O)c1 ZINC001233079088 1098220929 /nfs/dbraw/zinc/22/09/29/1098220929.db2.gz VFUFDGZHVAYKBD-UHFFFAOYSA-N 1 2 321.323 3.089 20 10 DGCDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(F)c(F)c2O)c1 ZINC001233079088 1098220934 /nfs/dbraw/zinc/22/09/34/1098220934.db2.gz VFUFDGZHVAYKBD-UHFFFAOYSA-N 1 2 321.323 3.089 20 10 DGCDLO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233079424 1098221095 /nfs/dbraw/zinc/22/10/95/1098221095.db2.gz BNFGAEKRLULIIB-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233079424 1098221099 /nfs/dbraw/zinc/22/10/99/1098221099.db2.gz BNFGAEKRLULIIB-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO O=C1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001233196862 1098249590 /nfs/dbraw/zinc/24/95/90/1098249590.db2.gz CZRCSMYPWIMCFB-UHFFFAOYSA-N 1 2 320.186 3.083 20 10 DGCDLO O=C1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001233196862 1098249598 /nfs/dbraw/zinc/24/95/98/1098249598.db2.gz CZRCSMYPWIMCFB-UHFFFAOYSA-N 1 2 320.186 3.083 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cn3cccc(Cl)c3n1)CC2 ZINC001233423614 1098326955 /nfs/dbraw/zinc/32/69/55/1098326955.db2.gz DHWQRLXELGNENJ-UHFFFAOYSA-N 1 2 313.788 3.252 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cn3cccc(Cl)c3n1)CC2 ZINC001233423614 1098326962 /nfs/dbraw/zinc/32/69/62/1098326962.db2.gz DHWQRLXELGNENJ-UHFFFAOYSA-N 1 2 313.788 3.252 20 10 DGCDLO CCCCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454083 1098341335 /nfs/dbraw/zinc/34/13/35/1098341335.db2.gz GNSYUPJUBRHSPT-UHFFFAOYSA-N 1 2 316.367 3.329 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001235303332 1098951447 /nfs/dbraw/zinc/95/14/47/1098951447.db2.gz MZWLTQATXUZSQN-VIFPVBQESA-N 1 2 320.177 3.475 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001235303332 1098951450 /nfs/dbraw/zinc/95/14/50/1098951450.db2.gz MZWLTQATXUZSQN-VIFPVBQESA-N 1 2 320.177 3.475 20 10 DGCDLO COc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2C)c(O)cc1Br ZINC001236748172 1099769127 /nfs/dbraw/zinc/76/91/27/1099769127.db2.gz MGHKKHMICOFKKJ-SCZZXKLOSA-N 1 2 318.186 3.096 20 10 DGCDLO COc1cc(C[N@H+]2C[C@@H](F)C[C@H]2C)c(O)cc1Br ZINC001236748172 1099769135 /nfs/dbraw/zinc/76/91/35/1099769135.db2.gz MGHKKHMICOFKKJ-SCZZXKLOSA-N 1 2 318.186 3.096 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2Cc3ccc(F)cc3C2)cc1OC ZINC001236751329 1099771380 /nfs/dbraw/zinc/77/13/80/1099771380.db2.gz ATSRUHUWPDBFJR-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO COc1cc(O)c(C[N@H+]2Cc3ccc(F)cc3C2)cc1OC ZINC001236751329 1099771386 /nfs/dbraw/zinc/77/13/86/1099771386.db2.gz ATSRUHUWPDBFJR-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO Oc1cc(C[N@@H+]2CCCC[C@@H](F)C2)c(O)cc1Br ZINC001236769567 1099776134 /nfs/dbraw/zinc/77/61/34/1099776134.db2.gz WAZIGOFOFPLKOE-SNVBAGLBSA-N 1 2 318.186 3.184 20 10 DGCDLO Oc1cc(C[N@H+]2CCCC[C@@H](F)C2)c(O)cc1Br ZINC001236769567 1099776139 /nfs/dbraw/zinc/77/61/39/1099776139.db2.gz WAZIGOFOFPLKOE-SNVBAGLBSA-N 1 2 318.186 3.184 20 10 DGCDLO COc1ccc(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c(O)c1Cl ZINC001236802542 1099795742 /nfs/dbraw/zinc/79/57/42/1099795742.db2.gz SDGVVYPIEQRYNM-ZBEGNZNMSA-N 1 2 313.825 3.037 20 10 DGCDLO COc1ccc(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)c(O)c1Cl ZINC001236802542 1099795751 /nfs/dbraw/zinc/79/57/51/1099795751.db2.gz SDGVVYPIEQRYNM-ZBEGNZNMSA-N 1 2 313.825 3.037 20 10 DGCDLO COc1ccc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c(O)c1Cl ZINC001236802540 1099797863 /nfs/dbraw/zinc/79/78/63/1099797863.db2.gz SDGVVYPIEQRYNM-MEDUHNTESA-N 1 2 313.825 3.037 20 10 DGCDLO COc1ccc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c(O)c1Cl ZINC001236802540 1099797865 /nfs/dbraw/zinc/79/78/65/1099797865.db2.gz SDGVVYPIEQRYNM-MEDUHNTESA-N 1 2 313.825 3.037 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2ccc(C)nc2)c(O)c1Cl ZINC001236810263 1099798576 /nfs/dbraw/zinc/79/85/76/1099798576.db2.gz QMONMHZWUHAVPB-UHFFFAOYSA-N 1 2 306.793 3.390 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2ccc(C)nc2)c(O)c1Cl ZINC001236810263 1099798586 /nfs/dbraw/zinc/79/85/86/1099798586.db2.gz QMONMHZWUHAVPB-UHFFFAOYSA-N 1 2 306.793 3.390 20 10 DGCDLO C[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CC(C)(C)O1 ZINC000691675489 1099921594 /nfs/dbraw/zinc/92/15/94/1099921594.db2.gz IYHWHQGKQIVYTR-JTQLQIEISA-N 1 2 314.223 3.154 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)CC(C)(C)O1 ZINC000691675489 1099921603 /nfs/dbraw/zinc/92/16/03/1099921603.db2.gz IYHWHQGKQIVYTR-JTQLQIEISA-N 1 2 314.223 3.154 20 10 DGCDLO CCOc1ccc(C[N@@H+]2CCc3nc(Cl)ccc3C2)c(O)c1 ZINC001237041872 1099939929 /nfs/dbraw/zinc/93/99/29/1099939929.db2.gz OJTZABUYBNMVTM-UHFFFAOYSA-N 1 2 318.804 3.398 20 10 DGCDLO CCOc1ccc(C[N@H+]2CCc3nc(Cl)ccc3C2)c(O)c1 ZINC001237041872 1099939935 /nfs/dbraw/zinc/93/99/35/1099939935.db2.gz OJTZABUYBNMVTM-UHFFFAOYSA-N 1 2 318.804 3.398 20 10 DGCDLO CCOc1ccc(C[N@@H+]2CCc3ncc(Cl)cc3C2)c(O)c1 ZINC001237045919 1099940930 /nfs/dbraw/zinc/94/09/30/1099940930.db2.gz KHVUKOGZHOTDGD-UHFFFAOYSA-N 1 2 318.804 3.398 20 10 DGCDLO CCOc1ccc(C[N@H+]2CCc3ncc(Cl)cc3C2)c(O)c1 ZINC001237045919 1099940936 /nfs/dbraw/zinc/94/09/36/1099940936.db2.gz KHVUKOGZHOTDGD-UHFFFAOYSA-N 1 2 318.804 3.398 20 10 DGCDLO OCC[N@H+](Cc1ccccc1)Cc1c(O)ccc(F)c1Cl ZINC001237119138 1099980001 /nfs/dbraw/zinc/98/00/01/1099980001.db2.gz BFLVLWSJUNEIRF-UHFFFAOYSA-N 1 2 309.768 3.179 20 10 DGCDLO OCC[N@@H+](Cc1ccccc1)Cc1c(O)ccc(F)c1Cl ZINC001237119138 1099980011 /nfs/dbraw/zinc/98/00/11/1099980011.db2.gz BFLVLWSJUNEIRF-UHFFFAOYSA-N 1 2 309.768 3.179 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001237138973 1099988556 /nfs/dbraw/zinc/98/85/56/1099988556.db2.gz AQXNEMNHFGAVFJ-CYBMUJFWSA-N 1 2 301.308 3.022 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001237138973 1099988568 /nfs/dbraw/zinc/98/85/68/1099988568.db2.gz AQXNEMNHFGAVFJ-CYBMUJFWSA-N 1 2 301.308 3.022 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCc2cccnc2C1 ZINC001237141768 1099993187 /nfs/dbraw/zinc/99/31/87/1099993187.db2.gz CBZJFUVYBNKXEE-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@H+]1CCc2cccnc2C1 ZINC001237141768 1099993200 /nfs/dbraw/zinc/99/32/00/1099993200.db2.gz CBZJFUVYBNKXEE-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO Cc1cccc(O)c1C[N@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001237491080 1100143736 /nfs/dbraw/zinc/14/37/36/1100143736.db2.gz GDTSQMADAUSCQM-OAHLLOKOSA-N 1 2 306.406 3.099 20 10 DGCDLO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001237491080 1100143741 /nfs/dbraw/zinc/14/37/41/1100143741.db2.gz GDTSQMADAUSCQM-OAHLLOKOSA-N 1 2 306.406 3.099 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1Br ZINC001237681257 1100212111 /nfs/dbraw/zinc/21/21/11/1100212111.db2.gz PZWPVUGEYYYVBX-XHVZSJERSA-N 1 2 314.198 3.253 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1Br ZINC001237683481 1100214902 /nfs/dbraw/zinc/21/49/02/1100214902.db2.gz AYFAPCCEKBXFTB-WDEREUQCSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1Br ZINC001237683481 1100214904 /nfs/dbraw/zinc/21/49/04/1100214904.db2.gz AYFAPCCEKBXFTB-WDEREUQCSA-N 1 2 314.223 3.072 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC001237804502 1100251538 /nfs/dbraw/zinc/25/15/38/1100251538.db2.gz DLDAYIFZWQJPGG-UHFFFAOYSA-N 1 2 309.772 3.218 20 10 DGCDLO CCOCC[NH+](CCOCC)Cc1cc(F)cc(Cl)c1O ZINC001237798541 1100251866 /nfs/dbraw/zinc/25/18/66/1100251866.db2.gz ISNDLLODVQVKAO-UHFFFAOYSA-N 1 2 319.804 3.060 20 10 DGCDLO OCC[N@@H+](Cc1cccs1)Cc1cc(F)cc(Cl)c1O ZINC001237813073 1100255475 /nfs/dbraw/zinc/25/54/75/1100255475.db2.gz KKYMZOOGJMBJLF-UHFFFAOYSA-N 1 2 315.797 3.241 20 10 DGCDLO CCOc1ccc(N2CC[NH+](Cc3occc3OC)CC2)cc1 ZINC001237870911 1100272582 /nfs/dbraw/zinc/27/25/82/1100272582.db2.gz LXRQVEYQESAATA-UHFFFAOYSA-N 1 2 316.401 3.009 20 10 DGCDLO Cc1cc(F)cc(C[NH+]2CC(OCc3ccccc3)C2)c1O ZINC001238060408 1100345607 /nfs/dbraw/zinc/34/56/07/1100345607.db2.gz AMOYSWVETHBKKD-UHFFFAOYSA-N 1 2 301.361 3.241 20 10 DGCDLO Cc1cc(F)cc(C[NH+]2CC(Oc3ccc(F)cc3)C2)c1O ZINC001238066058 1100347319 /nfs/dbraw/zinc/34/73/19/1100347319.db2.gz DOBNDZNHLYRTGK-UHFFFAOYSA-N 1 2 305.324 3.242 20 10 DGCDLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249223403 1105249941 /nfs/dbraw/zinc/24/99/41/1105249941.db2.gz FBOSLVSMUOPYPY-GFCCVEGCSA-N 1 2 301.386 3.130 20 10 DGCDLO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249223403 1105249944 /nfs/dbraw/zinc/24/99/44/1105249944.db2.gz FBOSLVSMUOPYPY-GFCCVEGCSA-N 1 2 301.386 3.130 20 10 DGCDLO CCCCC[C@@H](CC)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001258430538 1106741271 /nfs/dbraw/zinc/74/12/71/1106741271.db2.gz PETZZZCEISKWGC-CABCVRRESA-N 1 2 323.433 3.130 20 10 DGCDLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001261554111 1107463762 /nfs/dbraw/zinc/46/37/62/1107463762.db2.gz UJPOHABCUJPALE-CYBMUJFWSA-N 1 2 300.406 3.171 20 10 DGCDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001261554111 1107463766 /nfs/dbraw/zinc/46/37/66/1107463766.db2.gz UJPOHABCUJPALE-CYBMUJFWSA-N 1 2 300.406 3.171 20 10 DGCDLO CSCc1n[nH]c(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)n1 ZINC001262077539 1107605111 /nfs/dbraw/zinc/60/51/11/1107605111.db2.gz GZFWGAJYIWFXNX-GHMZBOCLSA-N 1 2 318.446 3.020 20 10 DGCDLO CSCc1nnc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)[nH]1 ZINC001262077539 1107605117 /nfs/dbraw/zinc/60/51/17/1107605117.db2.gz GZFWGAJYIWFXNX-GHMZBOCLSA-N 1 2 318.446 3.020 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2ccc(Br)cc2O)[C@@H](C)CO1 ZINC000701194740 1108903032 /nfs/dbraw/zinc/90/30/32/1108903032.db2.gz WJGYQVMVLJUBST-GWCFXTLKSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)[C@@H](C)CO1 ZINC000701194740 1108903036 /nfs/dbraw/zinc/90/30/36/1108903036.db2.gz WJGYQVMVLJUBST-GWCFXTLKSA-N 1 2 314.223 3.154 20 10 DGCDLO COc1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(F)c1O)CC2 ZINC001308590345 1111448485 /nfs/dbraw/zinc/44/84/85/1111448485.db2.gz SZTVZVYLVLZHKD-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1ccc2c(c1)C[N@H+](Cc1cc(F)cc(F)c1O)CC2 ZINC001308590345 1111448487 /nfs/dbraw/zinc/44/84/87/1111448487.db2.gz SZTVZVYLVLZHKD-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2ccc(F)c(F)c2O)cc1 ZINC001308603438 1111450218 /nfs/dbraw/zinc/45/02/18/1111450218.db2.gz KWHBFIBHUYMQMR-AWEZNQCLSA-N 1 2 319.351 3.496 20 10 DGCDLO COc1ccc(C[C@@H]2CC[N@H+]2Cc2ccc(F)c(F)c2O)cc1 ZINC001308603438 1111450221 /nfs/dbraw/zinc/45/02/21/1111450221.db2.gz KWHBFIBHUYMQMR-AWEZNQCLSA-N 1 2 319.351 3.496 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2cc(F)cc(F)c2O)c(OC)c1 ZINC001308660028 1111456713 /nfs/dbraw/zinc/45/67/13/1111456713.db2.gz JVCFKXBJLVWTER-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2cc(F)cc(F)c2O)c(OC)c1 ZINC001308660028 1111456716 /nfs/dbraw/zinc/45/67/16/1111456716.db2.gz JVCFKXBJLVWTER-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000179676812 432067497 /nfs/dbraw/zinc/06/74/97/432067497.db2.gz YPGLHJSRWLIUJE-UHFFFAOYSA-N 1 2 322.758 3.116 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000179676812 432067499 /nfs/dbraw/zinc/06/74/99/432067499.db2.gz YPGLHJSRWLIUJE-UHFFFAOYSA-N 1 2 322.758 3.116 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(F)c(F)c1O ZINC000290165766 299311505 /nfs/dbraw/zinc/31/15/05/299311505.db2.gz DMYMPRKNLQDJCW-WDEREUQCSA-N 1 2 305.324 3.497 20 10 DGCDLO CCc1ccc([C@H]2COCC[N@@H+]2Cc2cccc(OC)c2O)o1 ZINC000093459408 193254533 /nfs/dbraw/zinc/25/45/33/193254533.db2.gz LRCKHKNXJVYVMD-OAHLLOKOSA-N 1 2 317.385 3.130 20 10 DGCDLO CCc1ccc([C@H]2COCC[N@H+]2Cc2cccc(OC)c2O)o1 ZINC000093459408 193254535 /nfs/dbraw/zinc/25/45/35/193254535.db2.gz LRCKHKNXJVYVMD-OAHLLOKOSA-N 1 2 317.385 3.130 20 10 DGCDLO Cc1ccc([C@H]2COCC[N@@H+]2Cc2cc(C)c(C)cc2O)o1 ZINC000093459790 193255583 /nfs/dbraw/zinc/25/55/83/193255583.db2.gz SDZRAKLMHJDSEM-MRXNPFEDSA-N 1 2 301.386 3.484 20 10 DGCDLO Cc1ccc([C@H]2COCC[N@H+]2Cc2cc(C)c(C)cc2O)o1 ZINC000093459790 193255585 /nfs/dbraw/zinc/25/55/85/193255585.db2.gz SDZRAKLMHJDSEM-MRXNPFEDSA-N 1 2 301.386 3.484 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)c1ncn(C)n1 ZINC000275694689 296150347 /nfs/dbraw/zinc/15/03/47/296150347.db2.gz JTIBDUZDLZTGGK-JGVFFNPUSA-N 1 2 315.204 3.239 20 10 DGCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000020506193 182226077 /nfs/dbraw/zinc/22/60/77/182226077.db2.gz DNZCAFXKCVGIMK-UHFFFAOYSA-N 1 2 300.189 3.075 20 10 DGCDLO C[N@H+](CCc1cnccn1)Cc1cc(Cl)cc(Cl)c1O ZINC000273696288 130155018 /nfs/dbraw/zinc/15/50/18/130155018.db2.gz CLLAIZHLDFLASF-UHFFFAOYSA-N 1 2 312.200 3.164 20 10 DGCDLO C[N@@H+](CCc1cnccn1)Cc1cc(Cl)cc(Cl)c1O ZINC000273696288 130155021 /nfs/dbraw/zinc/15/50/21/130155021.db2.gz CLLAIZHLDFLASF-UHFFFAOYSA-N 1 2 312.200 3.164 20 10 DGCDLO CSCc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000285479148 131172714 /nfs/dbraw/zinc/17/27/14/131172714.db2.gz LJGGRJNDYGGSTJ-UHFFFAOYSA-N 1 2 318.398 3.453 20 10 DGCDLO CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1O ZINC000286887810 131254480 /nfs/dbraw/zinc/25/44/80/131254480.db2.gz ISNOPZHSIWHQAA-PRHODGIISA-N 1 2 319.232 3.264 20 10 DGCDLO CC[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cccc(Cl)c1O ZINC000287561269 131286983 /nfs/dbraw/zinc/28/69/83/131286983.db2.gz GGXJLXDLKOZXQU-HNNXBMFYSA-N 1 2 324.852 3.393 20 10 DGCDLO CC[C@@H]([NH2+]CCN(C)CCCOC)c1cccc(Cl)c1O ZINC000287841284 131302527 /nfs/dbraw/zinc/30/25/27/131302527.db2.gz WFVRVNOWZABFCJ-OAHLLOKOSA-N 1 2 314.857 3.055 20 10 DGCDLO Cc1noc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000042531590 400434158 /nfs/dbraw/zinc/43/41/58/400434158.db2.gz OIVQXLYPSVAYOS-UHFFFAOYSA-N 1 2 300.406 3.000 20 10 DGCDLO Cc1noc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000042531590 400434166 /nfs/dbraw/zinc/43/41/66/400434166.db2.gz OIVQXLYPSVAYOS-UHFFFAOYSA-N 1 2 300.406 3.000 20 10 DGCDLO CC[C@@H]([NH2+]C[C@H](COC)OC)c1cc(Cl)cc(Cl)c1O ZINC000287885193 286911606 /nfs/dbraw/zinc/91/16/06/286911606.db2.gz YQSCOFXIGFNFNR-ZWNOBZJWSA-N 1 2 322.232 3.401 20 10 DGCDLO CC[C@@H]([NH2+]CCCc1nc(C)no1)c1cccc(Cl)c1O ZINC000287745044 286907318 /nfs/dbraw/zinc/90/73/18/286907318.db2.gz PVXYSLCFBXXNMP-CYBMUJFWSA-N 1 2 309.797 3.411 20 10 DGCDLO C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1O ZINC000187804641 287040318 /nfs/dbraw/zinc/04/03/18/287040318.db2.gz GEEJYFPIUNLUDC-ADLMAVQZSA-N 1 2 319.351 3.155 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000180484529 228356751 /nfs/dbraw/zinc/35/67/51/228356751.db2.gz DRZKRONRWYLAGO-CQSZACIVSA-N 1 2 304.777 3.094 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000180484529 228356754 /nfs/dbraw/zinc/35/67/54/228356754.db2.gz DRZKRONRWYLAGO-CQSZACIVSA-N 1 2 304.777 3.094 20 10 DGCDLO Cc1c2ccccc2n(C)c1CNc1cc[nH+]c2ccncc12 ZINC000359852872 229386241 /nfs/dbraw/zinc/38/62/41/229386241.db2.gz ZOZAVAPHHXUJGK-UHFFFAOYSA-N 1 2 302.381 3.464 20 10 DGCDLO CC[C@H]([NH2+]CCCNC(C)=O)c1cc(Cl)cc(Cl)c1O ZINC000287897946 288041029 /nfs/dbraw/zinc/04/10/29/288041029.db2.gz ZKNSJXDCDKCGKU-ZDUSSCGKSA-N 1 2 319.232 3.266 20 10 DGCDLO CC[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1nccs1 ZINC000152626053 432345249 /nfs/dbraw/zinc/34/52/49/432345249.db2.gz HFCYAKYVMHYFLV-AWEZNQCLSA-N 1 2 307.375 3.172 20 10 DGCDLO COc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)cc1O ZINC000187688447 432676633 /nfs/dbraw/zinc/67/66/33/432676633.db2.gz YNBMHKSULPLPKO-SECBINFHSA-N 1 2 309.312 3.235 20 10 DGCDLO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1O ZINC000276928844 432827981 /nfs/dbraw/zinc/82/79/81/432827981.db2.gz NURWIFYTHCLBSE-SNVBAGLBSA-N 1 2 322.311 3.472 20 10 DGCDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2O)n1 ZINC000289936491 432978150 /nfs/dbraw/zinc/97/81/50/432978150.db2.gz WVJFAJKCDATSRR-ZDUSSCGKSA-N 1 2 307.781 3.464 20 10 DGCDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2O)n1 ZINC000289936491 432978153 /nfs/dbraw/zinc/97/81/53/432978153.db2.gz WVJFAJKCDATSRR-ZDUSSCGKSA-N 1 2 307.781 3.464 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1ccc(F)c(F)c1O ZINC000290157012 433004443 /nfs/dbraw/zinc/00/44/43/433004443.db2.gz DARSAOLTIPTFHH-XMZIXOGTSA-N 1 2 307.340 3.443 20 10 DGCDLO OC[C@@]1(C[NH2+]Cc2cccc(Cl)c2O)C[C@H]1c1ccccc1 ZINC000291692099 433316038 /nfs/dbraw/zinc/31/60/38/433316038.db2.gz YFFMVJNLVLWSHH-YJBOKZPZSA-N 1 2 317.816 3.301 20 10 DGCDLO CC(C)n1cnnc1C[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000292098280 433459236 /nfs/dbraw/zinc/45/92/36/433459236.db2.gz OQZOBQIOJAJRAH-UHFFFAOYSA-N 1 2 310.401 3.350 20 10 DGCDLO CC(C)n1cnnc1C[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000292098280 433459249 /nfs/dbraw/zinc/45/92/49/433459249.db2.gz OQZOBQIOJAJRAH-UHFFFAOYSA-N 1 2 310.401 3.350 20 10 DGCDLO COC[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)OC ZINC000273455812 293107142 /nfs/dbraw/zinc/10/71/42/293107142.db2.gz PLUFLNBCGVPDSK-IUCAKERBSA-N 1 2 308.205 3.011 20 10 DGCDLO Cc1cc(C[N@H+](C)Cc2nccn2C(F)F)ccc1N(C)C ZINC000293389269 433721081 /nfs/dbraw/zinc/72/10/81/433721081.db2.gz GSWJATFHWOBMNB-UHFFFAOYSA-N 1 2 308.376 3.285 20 10 DGCDLO Cc1cc(C[N@@H+](C)Cc2nccn2C(F)F)ccc1N(C)C ZINC000293389269 433721091 /nfs/dbraw/zinc/72/10/91/433721091.db2.gz GSWJATFHWOBMNB-UHFFFAOYSA-N 1 2 308.376 3.285 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000369684256 434598314 /nfs/dbraw/zinc/59/83/14/434598314.db2.gz SWSIBGLLBMQOIO-CQSZACIVSA-N 1 2 302.201 3.046 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000369684256 434598322 /nfs/dbraw/zinc/59/83/22/434598322.db2.gz SWSIBGLLBMQOIO-CQSZACIVSA-N 1 2 302.201 3.046 20 10 DGCDLO CCOCCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000191568462 519994016 /nfs/dbraw/zinc/99/40/16/519994016.db2.gz IPNGSHXUWXRSMX-UHFFFAOYSA-N 1 2 322.232 3.184 20 10 DGCDLO CCOCCOCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000191568462 519994022 /nfs/dbraw/zinc/99/40/22/519994022.db2.gz IPNGSHXUWXRSMX-UHFFFAOYSA-N 1 2 322.232 3.184 20 10 DGCDLO COc1ccc([NH+]2CCC(Nc3ncc(Cl)cn3)CC2)cc1 ZINC000301483045 533999496 /nfs/dbraw/zinc/99/94/96/533999496.db2.gz FUKGDKWZLFOUMB-UHFFFAOYSA-N 1 2 318.808 3.220 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1cccc(Cl)c1O ZINC000286866570 535931868 /nfs/dbraw/zinc/93/18/68/535931868.db2.gz BLZWRRRPOOJURA-UONOGXRCSA-N 1 2 322.836 3.288 20 10 DGCDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1=CC(=O)CS1 ZINC000732275067 574569875 /nfs/dbraw/zinc/56/98/75/574569875.db2.gz RTTGQEBPAJHEBG-UHFFFAOYSA-N 1 2 303.318 3.031 20 10 DGCDLO COc1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1C ZINC000734847780 574678658 /nfs/dbraw/zinc/67/86/58/574678658.db2.gz UNKZWPJICREKME-HNNXBMFYSA-N 1 2 307.340 3.105 20 10 DGCDLO CCOc1ccc(N(C)Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000750047798 575699995 /nfs/dbraw/zinc/69/99/95/575699995.db2.gz RCOMMMQIEVBLDW-UHFFFAOYSA-N 1 2 308.385 3.302 20 10 DGCDLO COc1ccc([NH+]2CCC(NC(=O)c3ccc(C)cc3)CC2)cc1 ZINC000726562591 576031004 /nfs/dbraw/zinc/03/10/04/576031004.db2.gz PYNWUZGJUOJNFG-UHFFFAOYSA-N 1 2 324.424 3.402 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1 ZINC000728196878 576168738 /nfs/dbraw/zinc/16/87/38/576168738.db2.gz PXCRECPCJSIPIV-ZDUSSCGKSA-N 1 2 311.381 3.171 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2O)C1 ZINC000728196878 576168742 /nfs/dbraw/zinc/16/87/42/576168742.db2.gz PXCRECPCJSIPIV-ZDUSSCGKSA-N 1 2 311.381 3.171 20 10 DGCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)[C@H]1CCSC1 ZINC000893928842 618677535 /nfs/dbraw/zinc/67/75/35/618677535.db2.gz GFTCMZJEWZWBNQ-JTQLQIEISA-N 1 2 320.227 3.231 20 10 DGCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)[C@H]1CCSC1 ZINC000893928842 618677537 /nfs/dbraw/zinc/67/75/37/618677537.db2.gz GFTCMZJEWZWBNQ-JTQLQIEISA-N 1 2 320.227 3.231 20 10 DGCDLO CN(C)c1ccc(C[N@H+](CC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000917073934 620654932 /nfs/dbraw/zinc/65/49/32/620654932.db2.gz IMTRCDCYVWISBU-UHFFFAOYSA-N 1 2 304.434 3.059 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](CC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000917073934 620654933 /nfs/dbraw/zinc/65/49/33/620654933.db2.gz IMTRCDCYVWISBU-UHFFFAOYSA-N 1 2 304.434 3.059 20 10 DGCDLO CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1[O-] ZINC000806159998 617618727 /nfs/dbraw/zinc/61/87/27/617618727.db2.gz DAOMWNQNGNLLSG-SMDDNHRTSA-N 1 2 305.809 3.298 20 10 DGCDLO CN(C)c1ccc(C[N@H+](Cc2nccn2C2CC2)C2CC2)cc1 ZINC000891595671 617847265 /nfs/dbraw/zinc/84/72/65/617847265.db2.gz DBYGLYHJIATYKD-UHFFFAOYSA-N 1 2 310.445 3.449 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](Cc2nccn2C2CC2)C2CC2)cc1 ZINC000891595671 617847273 /nfs/dbraw/zinc/84/72/73/617847273.db2.gz DBYGLYHJIATYKD-UHFFFAOYSA-N 1 2 310.445 3.449 20 10 DGCDLO CN(C)c1ccc(C[N@H+](Cc2nnc(C3CC3)o2)C2CC2)cc1 ZINC000920206954 620789810 /nfs/dbraw/zinc/78/98/10/620789810.db2.gz SKLQBZVOSPVXOX-UHFFFAOYSA-N 1 2 312.417 3.178 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](Cc2nnc(C3CC3)o2)C2CC2)cc1 ZINC000920206954 620789813 /nfs/dbraw/zinc/78/98/13/620789813.db2.gz SKLQBZVOSPVXOX-UHFFFAOYSA-N 1 2 312.417 3.178 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2c(F)cccc2F)c(O)c1OC ZINC000894631574 618406280 /nfs/dbraw/zinc/40/62/80/618406280.db2.gz HQUVJSOIXOVJHB-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2c(F)cccc2F)c(O)c1OC ZINC000894631574 618406282 /nfs/dbraw/zinc/40/62/82/618406282.db2.gz HQUVJSOIXOVJHB-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO CO[C@@](C)([C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000840961029 618639171 /nfs/dbraw/zinc/63/91/71/618639171.db2.gz PKBJIANFXWJULI-VFZGTOFNSA-N 1 2 301.789 3.478 20 10 DGCDLO COc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)c(F)c1OC ZINC000895449040 618786278 /nfs/dbraw/zinc/78/62/78/618786278.db2.gz DKOJOUWCVAOFOC-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO COc1ccc(C[N@H+]2Cc3cccc(O)c3C2)c(F)c1OC ZINC000895449040 618786279 /nfs/dbraw/zinc/78/62/79/618786279.db2.gz DKOJOUWCVAOFOC-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000895577451 618801030 /nfs/dbraw/zinc/80/10/30/618801030.db2.gz KUNSPZMDWKCSDN-LBPRGKRZSA-N 1 2 309.715 3.199 20 10 DGCDLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000895577451 618801032 /nfs/dbraw/zinc/80/10/32/618801032.db2.gz KUNSPZMDWKCSDN-LBPRGKRZSA-N 1 2 309.715 3.199 20 10 DGCDLO COc1cc(C[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)ccn1 ZINC000898218410 619222266 /nfs/dbraw/zinc/22/22/66/619222266.db2.gz GONUCAZLHUIUPQ-LLVKDONJSA-N 1 2 306.793 3.170 20 10 DGCDLO COc1cc2c(cc1C[NH2+]Cc1cccc(Cl)c1O)OCO2 ZINC000898219571 619222824 /nfs/dbraw/zinc/22/28/24/619222824.db2.gz ZTUBOWOKGLRKBA-UHFFFAOYSA-N 1 2 321.760 3.073 20 10 DGCDLO COc1cccc(C[C@H](C)[NH2+]Cc2cccc(Cl)c2O)n1 ZINC000898219562 619222946 /nfs/dbraw/zinc/22/29/46/619222946.db2.gz ZOLKXMQHJXDUIL-NSHDSACASA-N 1 2 306.793 3.170 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCOC1CCSCC1 ZINC000898440820 619275852 /nfs/dbraw/zinc/27/58/52/619275852.db2.gz VOKOTNLNFRYCLV-UHFFFAOYSA-N 1 2 319.829 3.187 20 10 DGCDLO Cc1cc(C)c(C(=O)NCCCSc2nccs2)c(C)[nH+]1 ZINC000906668980 620112365 /nfs/dbraw/zinc/11/23/65/620112365.db2.gz CBAFENAZFSQPAF-UHFFFAOYSA-N 1 2 321.471 3.376 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c1O ZINC000852589114 620632370 /nfs/dbraw/zinc/63/23/70/620632370.db2.gz OGPFYWOZGFVXNA-MNOVXSKESA-N 1 2 311.809 3.248 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c1O ZINC000852589114 620632371 /nfs/dbraw/zinc/63/23/71/620632371.db2.gz OGPFYWOZGFVXNA-MNOVXSKESA-N 1 2 311.809 3.248 20 10 DGCDLO COC[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000768539911 620880646 /nfs/dbraw/zinc/88/06/46/620880646.db2.gz DVHIHPVNNVVPSJ-LLVKDONJSA-N 1 2 301.789 3.433 20 10 DGCDLO COC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000768539911 620880654 /nfs/dbraw/zinc/88/06/54/620880654.db2.gz DVHIHPVNNVVPSJ-LLVKDONJSA-N 1 2 301.789 3.433 20 10 DGCDLO C[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)c2nccn21 ZINC000858172487 621161087 /nfs/dbraw/zinc/16/10/87/621161087.db2.gz WGBROZUXFMPELF-JOYOIKCWSA-N 1 2 322.206 3.147 20 10 DGCDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)c2nccn21 ZINC000858171767 621161172 /nfs/dbraw/zinc/16/11/72/621161172.db2.gz CQDCJOPLTZEZDX-YGRLFVJLSA-N 1 2 306.360 3.023 20 10 DGCDLO Oc1cc2c(cc1C[N@@H+]1Cc3ccc(Cl)cc3C1)OCO2 ZINC000839192015 621347088 /nfs/dbraw/zinc/34/70/88/621347088.db2.gz SEQUGVHBMOYXPS-UHFFFAOYSA-N 1 2 303.745 3.290 20 10 DGCDLO Oc1cc2c(cc1C[N@H+]1Cc3ccc(Cl)cc3C1)OCO2 ZINC000839192015 621347091 /nfs/dbraw/zinc/34/70/91/621347091.db2.gz SEQUGVHBMOYXPS-UHFFFAOYSA-N 1 2 303.745 3.290 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1c[nH+]cn1C ZINC000752953725 621417586 /nfs/dbraw/zinc/41/75/86/621417586.db2.gz OUKLYZKKNHHAKZ-UHFFFAOYSA-N 1 2 322.412 3.066 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2ccon2)c(O)c(C(C)(C)C)c1 ZINC000754742644 621529859 /nfs/dbraw/zinc/52/98/59/621529859.db2.gz VVKVXGXLDXICLG-UHFFFAOYSA-N 1 2 304.390 3.318 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2ccon2)c(O)c(C(C)(C)C)c1 ZINC000754742644 621529860 /nfs/dbraw/zinc/52/98/60/621529860.db2.gz VVKVXGXLDXICLG-UHFFFAOYSA-N 1 2 304.390 3.318 20 10 DGCDLO Cc1noc(C)c1C[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862227258 621563995 /nfs/dbraw/zinc/56/39/95/621563995.db2.gz YFJBZQYMDHUJDJ-UHFFFAOYSA-N 1 2 309.360 3.268 20 10 DGCDLO Cc1noc(C)c1C[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862227258 621563999 /nfs/dbraw/zinc/56/39/99/621563999.db2.gz YFJBZQYMDHUJDJ-UHFFFAOYSA-N 1 2 309.360 3.268 20 10 DGCDLO CN(C)c1cc(F)c(C[NH+]2CC(Cc3ccco3)C2)cc1F ZINC000862485576 621594908 /nfs/dbraw/zinc/59/49/08/621594908.db2.gz AEVJXVAOAIRBMX-UHFFFAOYSA-N 1 2 306.356 3.298 20 10 DGCDLO C[C@@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000756410836 621636480 /nfs/dbraw/zinc/63/64/80/621636480.db2.gz KJTKFRYOCQZGDT-FRRDWIJNSA-N 1 2 312.404 3.441 20 10 DGCDLO COCCCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756424168 621637653 /nfs/dbraw/zinc/63/76/53/621637653.db2.gz ULGAPCYBVSGAGX-VIFPVBQESA-N 1 2 320.202 3.371 20 10 DGCDLO COC[C@@H](C)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756464867 621640146 /nfs/dbraw/zinc/64/01/46/621640146.db2.gz IATSZCWWORVZES-DTWKUNHWSA-N 1 2 320.202 3.227 20 10 DGCDLO Cc1cc(CNC(=O)CCc2[nH]cc[nH+]2)c(C)n1-c1ccccc1 ZINC000863165093 621644650 /nfs/dbraw/zinc/64/46/50/621644650.db2.gz ZXQKEQBXBKKGMG-UHFFFAOYSA-N 1 2 322.412 3.066 20 10 DGCDLO CC[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756602254 621652183 /nfs/dbraw/zinc/65/21/83/621652183.db2.gz DMEBNROQVBKATI-BDAKNGLRSA-N 1 2 320.202 3.105 20 10 DGCDLO C[C@H]([NH2+][C@H]1CCOC1)c1cc(Br)cc(Cl)c1O ZINC000756770561 621663479 /nfs/dbraw/zinc/66/34/79/621663479.db2.gz WBYOGRWHQFVEQA-CBAPKCEASA-N 1 2 320.614 3.248 20 10 DGCDLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1ccc(F)cc1O ZINC000756867243 621669167 /nfs/dbraw/zinc/66/91/67/621669167.db2.gz HKHGWORDDXUFTL-NSHDSACASA-N 1 2 312.348 3.167 20 10 DGCDLO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)[nH]2)c1 ZINC000756867103 621669192 /nfs/dbraw/zinc/66/91/92/621669192.db2.gz FUTXGDBREDGEAU-ZDUSSCGKSA-N 1 2 308.385 3.337 20 10 DGCDLO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nc(-c3ccccc3)n[nH]2)c1 ZINC000756867103 621669193 /nfs/dbraw/zinc/66/91/93/621669193.db2.gz FUTXGDBREDGEAU-ZDUSSCGKSA-N 1 2 308.385 3.337 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863544772 621682259 /nfs/dbraw/zinc/68/22/59/621682259.db2.gz AQHCDSIKWIQGHJ-OPRDCNLKSA-N 1 2 303.233 3.490 20 10 DGCDLO C[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)CC1(C)OCCO1 ZINC000866425260 622115708 /nfs/dbraw/zinc/11/57/08/622115708.db2.gz KQZQORZATNWFNM-GHMZBOCLSA-N 1 2 315.360 3.110 20 10 DGCDLO C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)CC1(C)OCCO1 ZINC000866425261 622115712 /nfs/dbraw/zinc/11/57/12/622115712.db2.gz KQZQORZATNWFNM-MNOVXSKESA-N 1 2 315.360 3.110 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000763112427 622123938 /nfs/dbraw/zinc/12/39/38/622123938.db2.gz RCCBGONFCYXXDJ-UHFFFAOYSA-N 1 2 309.369 3.148 20 10 DGCDLO COc1ccc([N@H+](CCCc2nc(C)no2)CC(C)C)cc1 ZINC000763514371 622149088 /nfs/dbraw/zinc/14/90/88/622149088.db2.gz FVPYNSONTNNPHT-UHFFFAOYSA-N 1 2 303.406 3.482 20 10 DGCDLO COc1ccc([N@@H+](CCCc2nc(C)no2)CC(C)C)cc1 ZINC000763514371 622149090 /nfs/dbraw/zinc/14/90/90/622149090.db2.gz FVPYNSONTNNPHT-UHFFFAOYSA-N 1 2 303.406 3.482 20 10 DGCDLO CCOC(=O)CC1([NH2+]Cc2cccc(Cl)c2O)CCCC1 ZINC000789778130 625566341 /nfs/dbraw/zinc/56/63/41/625566341.db2.gz DPIPTRMCBCSJIH-UHFFFAOYSA-N 1 2 311.809 3.401 20 10 DGCDLO C[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCO[C@@H]1C1CC1 ZINC000768540589 622463439 /nfs/dbraw/zinc/46/34/39/622463439.db2.gz JMOJNWIXWOTSSZ-CVEARBPZSA-N 1 2 313.800 3.480 20 10 DGCDLO CCOc1ccc(O)c(C[N@H+](C)Cc2csc(CC)n2)c1 ZINC000769127326 622500666 /nfs/dbraw/zinc/50/06/66/622500666.db2.gz XHQCPKDRCUGUSA-UHFFFAOYSA-N 1 2 306.431 3.442 20 10 DGCDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2csc(CC)n2)c1 ZINC000769127326 622500667 /nfs/dbraw/zinc/50/06/67/622500667.db2.gz XHQCPKDRCUGUSA-UHFFFAOYSA-N 1 2 306.431 3.442 20 10 DGCDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC000769372695 622522080 /nfs/dbraw/zinc/52/20/80/622522080.db2.gz YFPGZHGZPFKKGD-UHFFFAOYSA-N 1 2 317.772 3.348 20 10 DGCDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000769372695 622522081 /nfs/dbraw/zinc/52/20/81/622522081.db2.gz YFPGZHGZPFKKGD-UHFFFAOYSA-N 1 2 317.772 3.348 20 10 DGCDLO COc1cccc(O)c1C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000769512434 622536009 /nfs/dbraw/zinc/53/60/09/622536009.db2.gz DTVVYVCDZJTHKF-UHFFFAOYSA-N 1 2 308.381 3.440 20 10 DGCDLO COc1cccc(O)c1C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000769512434 622536012 /nfs/dbraw/zinc/53/60/12/622536012.db2.gz DTVVYVCDZJTHKF-UHFFFAOYSA-N 1 2 308.381 3.440 20 10 DGCDLO CCc1ccc(C[NH+]2CCN(Cc3ccccc3O)CC2)s1 ZINC000770510830 622641491 /nfs/dbraw/zinc/64/14/91/622641491.db2.gz RIPBOEBADVWAIO-UHFFFAOYSA-N 1 2 316.470 3.334 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872257819 622869800 /nfs/dbraw/zinc/86/98/00/622869800.db2.gz XYCXHHKURFXUDV-LBPRGKRZSA-N 1 2 309.715 3.041 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872257819 622869802 /nfs/dbraw/zinc/86/98/02/622869802.db2.gz XYCXHHKURFXUDV-LBPRGKRZSA-N 1 2 309.715 3.041 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cc(F)cc(F)c1O ZINC000774377330 623137517 /nfs/dbraw/zinc/13/75/17/623137517.db2.gz FZXDNWQJEAUJRY-BXUZGUMPSA-N 1 2 310.388 3.338 20 10 DGCDLO CCOC(=O)CC[N@@H+](Cc1cccc(Cl)c1O)CC1CC1 ZINC000775663132 623308552 /nfs/dbraw/zinc/30/85/52/623308552.db2.gz KEBWHLYTEQJDQB-UHFFFAOYSA-N 1 2 311.809 3.211 20 10 DGCDLO CCOC(=O)CC[N@H+](Cc1cccc(Cl)c1O)CC1CC1 ZINC000775663132 623308558 /nfs/dbraw/zinc/30/85/58/623308558.db2.gz KEBWHLYTEQJDQB-UHFFFAOYSA-N 1 2 311.809 3.211 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000775726618 623319359 /nfs/dbraw/zinc/31/93/59/623319359.db2.gz XMMJYDYJBLBXHK-ZDUSSCGKSA-N 1 2 322.767 3.233 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000775724424 623319669 /nfs/dbraw/zinc/31/96/69/623319669.db2.gz CVFZJOJPBOYXSU-LBPRGKRZSA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000775724424 623319672 /nfs/dbraw/zinc/31/96/72/623319672.db2.gz CVFZJOJPBOYXSU-LBPRGKRZSA-N 1 2 313.800 3.433 20 10 DGCDLO CC(C)CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775737716 623322092 /nfs/dbraw/zinc/32/20/92/623322092.db2.gz KCJHWDJFKPMDLO-CYBMUJFWSA-N 1 2 301.789 3.432 20 10 DGCDLO CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775737716 623322099 /nfs/dbraw/zinc/32/20/99/623322099.db2.gz KCJHWDJFKPMDLO-CYBMUJFWSA-N 1 2 301.789 3.432 20 10 DGCDLO COc1cccc2c1OC[C@@H]([NH2+]Cc1cccc(Cl)c1O)C2 ZINC000776172670 623388993 /nfs/dbraw/zinc/38/89/93/623388993.db2.gz SILRFKXYVJLETG-ZDUSSCGKSA-N 1 2 319.788 3.148 20 10 DGCDLO COc1cc(C[NH2+]Cc2cccc(Cl)c2O)cc(OC)c1O ZINC000776174417 623390351 /nfs/dbraw/zinc/39/03/51/623390351.db2.gz LYAJMLCPWFNFQG-UHFFFAOYSA-N 1 2 323.776 3.058 20 10 DGCDLO OC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(F)cc1 ZINC000776175647 623390796 /nfs/dbraw/zinc/39/07/96/623390796.db2.gz WDXFDWWMUHPHNI-AWEZNQCLSA-N 1 2 313.731 3.147 20 10 DGCDLO OCC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCCCC1 ZINC000776232175 623400153 /nfs/dbraw/zinc/40/01/53/623400153.db2.gz SQRADLLFKDSBMO-UHFFFAOYSA-N 1 2 301.789 3.217 20 10 DGCDLO CCOc1cc(C[NH2+]Cc2cccc(Cl)c2O)ccc1O ZINC000777479398 623530245 /nfs/dbraw/zinc/53/02/45/623530245.db2.gz MEJQYWPFCFPRJG-UHFFFAOYSA-N 1 2 307.777 3.440 20 10 DGCDLO CC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)c1cccc(Cl)c1O ZINC000806147982 623614611 /nfs/dbraw/zinc/61/46/11/623614611.db2.gz BRPSNXCNBWVZDV-KRDDEPHXSA-N 1 2 303.855 3.243 20 10 DGCDLO Oc1c(F)c(F)ccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000876635601 623666005 /nfs/dbraw/zinc/66/60/05/623666005.db2.gz ZHWWRDJBZFNVHB-AWEZNQCLSA-N 1 2 323.339 3.445 20 10 DGCDLO Oc1c(F)c(F)ccc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000876635601 623666008 /nfs/dbraw/zinc/66/60/08/623666008.db2.gz ZHWWRDJBZFNVHB-AWEZNQCLSA-N 1 2 323.339 3.445 20 10 DGCDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876682511 623680940 /nfs/dbraw/zinc/68/09/40/623680940.db2.gz LGOWUXTXXXRZDT-UHFFFAOYSA-N 1 2 323.368 3.320 20 10 DGCDLO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876682511 623680944 /nfs/dbraw/zinc/68/09/44/623680944.db2.gz LGOWUXTXXXRZDT-UHFFFAOYSA-N 1 2 323.368 3.320 20 10 DGCDLO CCOC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000779070969 623727509 /nfs/dbraw/zinc/72/75/09/623727509.db2.gz CEBKWMTYPAIVBE-DTWKUNHWSA-N 1 2 320.202 3.369 20 10 DGCDLO COc1cc(C[N@@H+]2Cc3cccc(O)c3C2)c(Cl)cc1O ZINC000877702891 623997653 /nfs/dbraw/zinc/99/76/53/623997653.db2.gz IZEGTGAQRNRTKX-UHFFFAOYSA-N 1 2 305.761 3.276 20 10 DGCDLO COc1cc(C[N@H+]2Cc3cccc(O)c3C2)c(Cl)cc1O ZINC000877702891 623997660 /nfs/dbraw/zinc/99/76/60/623997660.db2.gz IZEGTGAQRNRTKX-UHFFFAOYSA-N 1 2 305.761 3.276 20 10 DGCDLO Cc1cc(C)cc(-n2ncc(C[N@@H+](C)Cc3ccccc3O)n2)c1 ZINC000781436398 624070912 /nfs/dbraw/zinc/07/09/12/624070912.db2.gz IVSOVZLFXJJMBB-UHFFFAOYSA-N 1 2 322.412 3.222 20 10 DGCDLO Cc1cc(C)cc(-n2ncc(C[N@H+](C)Cc3ccccc3O)n2)c1 ZINC000781436398 624070914 /nfs/dbraw/zinc/07/09/14/624070914.db2.gz IVSOVZLFXJJMBB-UHFFFAOYSA-N 1 2 322.412 3.222 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781531391 624087862 /nfs/dbraw/zinc/08/78/62/624087862.db2.gz AMRLATAGVOJMRG-SNVBAGLBSA-N 1 2 309.715 3.388 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781531391 624087866 /nfs/dbraw/zinc/08/78/66/624087866.db2.gz AMRLATAGVOJMRG-SNVBAGLBSA-N 1 2 309.715 3.388 20 10 DGCDLO C[C@H]([NH2+]Cc1ncsc1Br)c1ccccc1O ZINC000879650151 624622691 /nfs/dbraw/zinc/62/26/91/624622691.db2.gz MDRMXZIHSDNEGT-QMMMGPOBSA-N 1 2 313.220 3.462 20 10 DGCDLO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000786574821 624923685 /nfs/dbraw/zinc/92/36/85/624923685.db2.gz GHFLOTRIPIAMNS-WFASDCNBSA-N 1 2 321.367 3.233 20 10 DGCDLO CO[C@H](CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O)C(F)(F)F ZINC000786955402 624967498 /nfs/dbraw/zinc/96/74/98/624967498.db2.gz ZJXSQHWRXHFKSZ-WRWORJQWSA-N 1 2 313.266 3.288 20 10 DGCDLO CC(C)[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nc(C2CC2)no1 ZINC000882997571 625891984 /nfs/dbraw/zinc/89/19/84/625891984.db2.gz VIVQSJUJVUWWJP-ZDUSSCGKSA-N 1 2 323.343 3.418 20 10 DGCDLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(F)cc(F)c2O)o1 ZINC000883017798 625899147 /nfs/dbraw/zinc/89/91/47/625899147.db2.gz BHPBMUVYIILBKI-CQSZACIVSA-N 1 2 311.328 3.303 20 10 DGCDLO CN1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@H]1c1ccccc1 ZINC000883077303 625918410 /nfs/dbraw/zinc/91/84/10/625918410.db2.gz FOCHUTZDJPVNJB-IAGOWNOFSA-N 1 2 318.367 3.205 20 10 DGCDLO CC[C@H]([NH2+]CCCNC(=O)C(C)C)c1cccc(Cl)c1O ZINC000806148997 626702452 /nfs/dbraw/zinc/70/24/52/626702452.db2.gz NJSDAQLJGLLRPY-AWEZNQCLSA-N 1 2 312.841 3.249 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cc(F)cc(F)c1O ZINC000808727581 626854236 /nfs/dbraw/zinc/85/42/36/626854236.db2.gz JJLNVZNBXKPGBU-MNOVXSKESA-N 1 2 305.324 3.497 20 10 DGCDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC000809698245 626938188 /nfs/dbraw/zinc/93/81/88/626938188.db2.gz WRJGPBGQFTXCCA-AUTCDRCXSA-N 1 2 311.784 3.040 20 10 DGCDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC000809698245 626938190 /nfs/dbraw/zinc/93/81/90/626938190.db2.gz WRJGPBGQFTXCCA-AUTCDRCXSA-N 1 2 311.784 3.040 20 10 DGCDLO CC(C)CN(CC[NH+](C)C)Cc1c(O)ccc(Cl)c1F ZINC000809729948 626941465 /nfs/dbraw/zinc/94/14/65/626941465.db2.gz UDKXRAPAUWBVCF-UHFFFAOYSA-N 1 2 302.821 3.204 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1cc(C(C)C)c(C)cc1O)C1CC1 ZINC000216630721 626988101 /nfs/dbraw/zinc/98/81/01/626988101.db2.gz CIUSWRBDPMHASL-UHFFFAOYSA-N 1 2 305.418 3.352 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1cc(C(C)C)c(C)cc1O)C1CC1 ZINC000216630721 626988104 /nfs/dbraw/zinc/98/81/04/626988104.db2.gz CIUSWRBDPMHASL-UHFFFAOYSA-N 1 2 305.418 3.352 20 10 DGCDLO CC[C@H]([NH2+][C@@H](CCOC)COC)c1cccc(Cl)c1O ZINC000810258000 626994216 /nfs/dbraw/zinc/99/42/16/626994216.db2.gz XUZVCHHPLSZKOC-FZMZJTMJSA-N 1 2 301.814 3.138 20 10 DGCDLO CC[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)OC ZINC000810260051 626994653 /nfs/dbraw/zinc/99/46/53/626994653.db2.gz CKHMHTCIEKPIBF-WPRPVWTQSA-N 1 2 320.202 3.369 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)cc1F ZINC000814180978 627547980 /nfs/dbraw/zinc/54/79/80/627547980.db2.gz UNJQNDWUTSTLBV-INIZCTEOSA-N 1 2 322.424 3.198 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)cc1F ZINC000814180978 627547983 /nfs/dbraw/zinc/54/79/83/627547983.db2.gz UNJQNDWUTSTLBV-INIZCTEOSA-N 1 2 322.424 3.198 20 10 DGCDLO CCc1nocc1C[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000815171318 627640938 /nfs/dbraw/zinc/64/09/38/627640938.db2.gz UEYKNYQNYYLSMF-UHFFFAOYSA-N 1 2 322.792 3.431 20 10 DGCDLO CCc1nocc1C[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000815171318 627640939 /nfs/dbraw/zinc/64/09/39/627640939.db2.gz UEYKNYQNYYLSMF-UHFFFAOYSA-N 1 2 322.792 3.431 20 10 DGCDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@H+]2CC[C@H]1CCOC1=O ZINC000817299132 627879646 /nfs/dbraw/zinc/87/96/46/627879646.db2.gz VNKPZOOUJICHIT-HOCLYGCPSA-N 1 2 317.429 3.283 20 10 DGCDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@@H+]2CC[C@H]1CCOC1=O ZINC000817299132 627879649 /nfs/dbraw/zinc/87/96/49/627879649.db2.gz VNKPZOOUJICHIT-HOCLYGCPSA-N 1 2 317.429 3.283 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cc(F)cc(F)c1O ZINC000817972955 627979589 /nfs/dbraw/zinc/97/95/89/627979589.db2.gz ACDYAHKBPCIMKR-GTNSWQLSSA-N 1 2 318.367 3.208 20 10 DGCDLO CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817976358 627981163 /nfs/dbraw/zinc/98/11/63/627981163.db2.gz KOXWFRUSXMMIMK-OUJBWJOFSA-N 1 2 321.223 3.440 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nn(CC)nc2C)cc1 ZINC000823390798 628555514 /nfs/dbraw/zinc/55/55/14/628555514.db2.gz KRSZTBKNOKFTFU-UHFFFAOYSA-N 1 2 315.465 3.085 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nn(CC)nc2C)cc1 ZINC000823390798 628555517 /nfs/dbraw/zinc/55/55/17/628555517.db2.gz KRSZTBKNOKFTFU-UHFFFAOYSA-N 1 2 315.465 3.085 20 10 DGCDLO CC[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000824291787 628647391 /nfs/dbraw/zinc/64/73/91/628647391.db2.gz HLDSLNMSYVTDND-RYUDHWBXSA-N 1 2 314.223 3.202 20 10 DGCDLO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000824426861 628660086 /nfs/dbraw/zinc/66/00/86/628660086.db2.gz DSXLJFQHJLHRBQ-ZWKOTPCHSA-N 1 2 314.454 3.358 20 10 DGCDLO CN(Cc1cccs1)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000824426861 628660088 /nfs/dbraw/zinc/66/00/88/628660088.db2.gz DSXLJFQHJLHRBQ-ZWKOTPCHSA-N 1 2 314.454 3.358 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000826899916 628901439 /nfs/dbraw/zinc/90/14/39/628901439.db2.gz ZIRQHWRYYONAKH-UHFFFAOYSA-N 1 2 317.820 3.331 20 10 DGCDLO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cccc(Cl)c2O)cn1 ZINC000827322055 628949235 /nfs/dbraw/zinc/94/92/35/628949235.db2.gz STIHDXIJTCFBJL-CJNGLKHVSA-N 1 2 319.836 3.280 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000827648599 628979476 /nfs/dbraw/zinc/97/94/76/628979476.db2.gz BSDFXYNJGAQPOR-UHFFFAOYSA-N 1 2 305.752 3.076 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000827785950 628991140 /nfs/dbraw/zinc/99/11/40/628991140.db2.gz FBJSXKUTXZDQFV-HNNXBMFYSA-N 1 2 316.367 3.214 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000827785950 628991141 /nfs/dbraw/zinc/99/11/41/628991141.db2.gz FBJSXKUTXZDQFV-HNNXBMFYSA-N 1 2 316.367 3.214 20 10 DGCDLO Cc1cc(C[N@@H+]2CCc3cc(Cl)nnc3C2)ccc1N(C)C ZINC000829175936 629137811 /nfs/dbraw/zinc/13/78/11/629137811.db2.gz NQPQWTJUPKNBFN-UHFFFAOYSA-N 1 2 316.836 3.063 20 10 DGCDLO Cc1cc(C[N@H+]2CCc3cc(Cl)nnc3C2)ccc1N(C)C ZINC000829175936 629137812 /nfs/dbraw/zinc/13/78/12/629137812.db2.gz NQPQWTJUPKNBFN-UHFFFAOYSA-N 1 2 316.836 3.063 20 10 DGCDLO CC[C@@H]([NH2+]CCc1cnc(C)cn1)c1cccc(Cl)c1O ZINC000834910711 629806919 /nfs/dbraw/zinc/80/69/19/629806919.db2.gz YFIQRZPVHWTESC-OAHLLOKOSA-N 1 2 305.809 3.427 20 10 DGCDLO Cc1cc(C)c(NC(=O)NCc2ccc(N(C)C)cc2)c(C)[nH+]1 ZINC000836628489 630143263 /nfs/dbraw/zinc/14/32/63/630143263.db2.gz GTFDSPFXHSHWSY-UHFFFAOYSA-N 1 2 312.417 3.395 20 10 DGCDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000840958734 630386443 /nfs/dbraw/zinc/38/64/43/630386443.db2.gz RQCATWYLMLXVDW-LLVKDONJSA-N 1 2 309.381 3.226 20 10 DGCDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000840958734 630386446 /nfs/dbraw/zinc/38/64/46/630386446.db2.gz RQCATWYLMLXVDW-LLVKDONJSA-N 1 2 309.381 3.226 20 10 DGCDLO CCCN(Cc1c(O)ccc(Cl)c1F)[C@@H]1CC[N@H+](C)C1 ZINC000843423173 630656445 /nfs/dbraw/zinc/65/64/45/630656445.db2.gz YAMXKYSYBJORSR-LLVKDONJSA-N 1 2 300.805 3.101 20 10 DGCDLO CCCN(Cc1c(O)ccc(Cl)c1F)[C@@H]1CC[N@@H+](C)C1 ZINC000843423173 630656446 /nfs/dbraw/zinc/65/64/46/630656446.db2.gz YAMXKYSYBJORSR-LLVKDONJSA-N 1 2 300.805 3.101 20 10 DGCDLO CCC[N@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CCN(C)C1 ZINC000843423173 630656448 /nfs/dbraw/zinc/65/64/48/630656448.db2.gz YAMXKYSYBJORSR-LLVKDONJSA-N 1 2 300.805 3.101 20 10 DGCDLO CCC[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CCN(C)C1 ZINC000843423173 630656452 /nfs/dbraw/zinc/65/64/52/630656452.db2.gz YAMXKYSYBJORSR-LLVKDONJSA-N 1 2 300.805 3.101 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(C(C)=O)no2)cc1 ZINC000846765802 631299268 /nfs/dbraw/zinc/29/92/68/631299268.db2.gz DTORHUGORRVHHA-UHFFFAOYSA-N 1 2 315.417 3.355 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc(C(C)=O)no2)cc1 ZINC000846765802 631299271 /nfs/dbraw/zinc/29/92/71/631299271.db2.gz DTORHUGORRVHHA-UHFFFAOYSA-N 1 2 315.417 3.355 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)c2nccc(N)n2)cc1 ZINC000846766624 631299623 /nfs/dbraw/zinc/29/96/23/631299623.db2.gz VCUMLYMRUMKPRP-AWEZNQCLSA-N 1 2 313.449 3.098 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)c2nccc(N)n2)cc1 ZINC000846766624 631299627 /nfs/dbraw/zinc/29/96/27/631299627.db2.gz VCUMLYMRUMKPRP-AWEZNQCLSA-N 1 2 313.449 3.098 20 10 DGCDLO CCN(C)c1ccc(C[N@@H+]2Cc3ccccc3NC(=O)C2)cc1 ZINC000847043309 631388503 /nfs/dbraw/zinc/38/85/03/631388503.db2.gz LTEQFZQFKGJPFO-UHFFFAOYSA-N 1 2 309.413 3.097 20 10 DGCDLO CCN(C)c1ccc(C[N@H+]2Cc3ccccc3NC(=O)C2)cc1 ZINC000847043309 631388506 /nfs/dbraw/zinc/38/85/06/631388506.db2.gz LTEQFZQFKGJPFO-UHFFFAOYSA-N 1 2 309.413 3.097 20 10 DGCDLO CCc1cccc(C[N@@H+]2CCCC[C@H]2c2noc(C)n2)c1O ZINC000848884102 631770454 /nfs/dbraw/zinc/77/04/54/631770454.db2.gz XGEYMXRNAFUCLG-HNNXBMFYSA-N 1 2 301.390 3.373 20 10 DGCDLO CCc1cccc(C[N@H+]2CCCC[C@H]2c2noc(C)n2)c1O ZINC000848884102 631770459 /nfs/dbraw/zinc/77/04/59/631770459.db2.gz XGEYMXRNAFUCLG-HNNXBMFYSA-N 1 2 301.390 3.373 20 10 DGCDLO CCc1cccc(C[N@@H+]2CCCC[C@@H]2c2noc(C)n2)c1O ZINC000848884103 631771155 /nfs/dbraw/zinc/77/11/55/631771155.db2.gz XGEYMXRNAFUCLG-OAHLLOKOSA-N 1 2 301.390 3.373 20 10 DGCDLO CCc1cccc(C[N@H+]2CCCC[C@@H]2c2noc(C)n2)c1O ZINC000848884103 631771159 /nfs/dbraw/zinc/77/11/59/631771159.db2.gz XGEYMXRNAFUCLG-OAHLLOKOSA-N 1 2 301.390 3.373 20 10 DGCDLO Cc1noc([C@H](C)[N@H+](C)C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000848925770 631791063 /nfs/dbraw/zinc/79/10/63/631791063.db2.gz JXURBNKEHPKTGL-FWWRYZNZSA-N 1 2 300.406 3.150 20 10 DGCDLO Cc1noc([C@H](C)[N@@H+](C)C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000848925770 631791068 /nfs/dbraw/zinc/79/10/68/631791068.db2.gz JXURBNKEHPKTGL-FWWRYZNZSA-N 1 2 300.406 3.150 20 10 DGCDLO C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)OC(C)(C)C ZINC000848926140 631791370 /nfs/dbraw/zinc/79/13/70/631791370.db2.gz LRBXRSMOBISMKO-SECBINFHSA-N 1 2 317.788 3.252 20 10 DGCDLO CC(C)CCNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1O ZINC000849028769 631812718 /nfs/dbraw/zinc/81/27/18/631812718.db2.gz XWLQDWVQKCOYIA-UHFFFAOYSA-N 1 2 304.221 3.359 20 10 DGCDLO CC[C@@H]([NH2+]CC[C@H](COC)OC)c1cccc(Cl)c1O ZINC000850487251 632167768 /nfs/dbraw/zinc/16/77/68/632167768.db2.gz YNBNVKRTBHMLTJ-BXUZGUMPSA-N 1 2 301.814 3.138 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@H](C)O1 ZINC000707140240 660887203 /nfs/dbraw/zinc/88/72/03/660887203.db2.gz OONJAKYWLBGTQH-GHMZBOCLSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@@H](C)O1 ZINC000707140240 660887206 /nfs/dbraw/zinc/88/72/06/660887206.db2.gz OONJAKYWLBGTQH-GHMZBOCLSA-N 1 2 314.223 3.154 20 10 DGCDLO CCC[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708100878 660918071 /nfs/dbraw/zinc/91/80/71/660918071.db2.gz XAWSPYHEXCNALX-SNVBAGLBSA-N 1 2 322.630 3.059 20 10 DGCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C1CSC1 ZINC000708196370 660918613 /nfs/dbraw/zinc/91/86/13/660918613.db2.gz IUVAFYNLUJPWDC-UHFFFAOYSA-N 1 2 308.628 3.013 20 10 DGCDLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)CO1 ZINC000792793581 660985169 /nfs/dbraw/zinc/98/51/69/660985169.db2.gz GHQYUBZJEWBFQL-RYUDHWBXSA-N 1 2 316.367 3.381 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)CO1 ZINC000792793581 660985172 /nfs/dbraw/zinc/98/51/72/660985172.db2.gz GHQYUBZJEWBFQL-RYUDHWBXSA-N 1 2 316.367 3.381 20 10 DGCDLO COc1cc(Br)cc(C[NH2+]C(C)(C)C(F)F)c1O ZINC000793255907 661018356 /nfs/dbraw/zinc/01/83/56/661018356.db2.gz UUUXBKLSDLNDIQ-UHFFFAOYSA-N 1 2 324.165 3.297 20 10 DGCDLO CO[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)C(C)C ZINC000715799195 661213712 /nfs/dbraw/zinc/21/37/12/661213712.db2.gz ZLEPBVYZOYIMMD-LBPRGKRZSA-N 1 2 320.202 3.054 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCC(F)(F)F ZINC000715789385 661214504 /nfs/dbraw/zinc/21/45/04/661214504.db2.gz QDKDJNBBEFRFKN-UHFFFAOYSA-N 1 2 316.092 3.336 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000305797772 657737645 /nfs/dbraw/zinc/73/76/45/657737645.db2.gz WEKIVZGLBVPPKJ-ZDUSSCGKSA-N 1 2 313.731 3.147 20 10 DGCDLO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cccc(Cl)c1O ZINC000158118220 659144676 /nfs/dbraw/zinc/14/46/76/659144676.db2.gz PWAAGNGBALZIFC-AWEZNQCLSA-N 1 2 307.825 3.447 20 10 DGCDLO C[N@H+](Cc1nccs1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000074724310 661902551 /nfs/dbraw/zinc/90/25/51/661902551.db2.gz NFYLBGMMMBUJQT-UHFFFAOYSA-N 1 2 306.431 3.484 20 10 DGCDLO C[N@@H+](Cc1nccs1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000074724310 661902553 /nfs/dbraw/zinc/90/25/53/661902553.db2.gz NFYLBGMMMBUJQT-UHFFFAOYSA-N 1 2 306.431 3.484 20 10 DGCDLO C[C@H]1C[C@@H](C[NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000388683371 685190736 /nfs/dbraw/zinc/19/07/36/685190736.db2.gz ISFRGNWGMVMELF-QWRGUYRKSA-N 1 2 314.223 3.059 20 10 DGCDLO CC(C)(O)C(C)(C)C[NH2+]Cc1cccc(Br)c1O ZINC000393684367 685218852 /nfs/dbraw/zinc/21/88/52/685218852.db2.gz UQRKECIMNMHEAX-UHFFFAOYSA-N 1 2 316.239 3.041 20 10 DGCDLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CS1 ZINC000397957502 685234470 /nfs/dbraw/zinc/23/44/70/685234470.db2.gz ZVAHSWBVYLVEAB-SCZZXKLOSA-N 1 2 302.237 3.138 20 10 DGCDLO Nc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001580449681 1192027601 /nfs/dbraw/zinc/02/76/01/1192027601.db2.gz RLUGLVGYHADNMB-QGZVFWFLSA-N 1 2 321.384 3.028 20 10 DGCDLO C[C@@H](Nc1cccc(C2CC2)[nH+]1)c1cccc(-c2nn[nH]n2)c1O ZINC001589983987 1192481280 /nfs/dbraw/zinc/48/12/80/1192481280.db2.gz IGWQEVWMMVGSHK-SNVBAGLBSA-N 1 2 322.372 3.018 20 10 DGCDLO Cc1cc(C)cc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)c1 ZINC001591951092 1192582015 /nfs/dbraw/zinc/58/20/15/1192582015.db2.gz IQSRYUQDXLYXGU-ZDUSSCGKSA-N 1 2 323.400 3.040 20 10 DGCDLO COC(=O)CCC[N@@H+]1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001460285738 1182672892 /nfs/dbraw/zinc/67/28/92/1182672892.db2.gz OLLRULBVRSEECS-OAHLLOKOSA-N 1 2 305.418 3.283 20 10 DGCDLO COC(=O)CCC[N@H+]1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001460285738 1182672894 /nfs/dbraw/zinc/67/28/94/1182672894.db2.gz OLLRULBVRSEECS-OAHLLOKOSA-N 1 2 305.418 3.283 20 10 DGCDLO OC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC001461258594 1182788019 /nfs/dbraw/zinc/78/80/19/1182788019.db2.gz YYSDAUPSWFTBPX-ZDUSSCGKSA-N 1 2 309.768 3.050 20 10 DGCDLO CC[C@H]1C[NH+](Cc2cc(F)c(N(C)C)cc2F)C[C@H](CC)O1 ZINC001462358741 1182942487 /nfs/dbraw/zinc/94/24/87/1182942487.db2.gz XTBYTLNPLZGJBC-KBPBESRZSA-N 1 2 312.404 3.420 20 10 DGCDLO Cc1cn(C(C)(C)C(=O)NCc2c(O)ccc3ccccc32)c[nH+]1 ZINC001472085542 1183614358 /nfs/dbraw/zinc/61/43/58/1183614358.db2.gz VFENJWZWXGOMFD-UHFFFAOYSA-N 1 2 323.396 3.102 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCn1cnc2ccccc21 ZINC001473961287 1183838921 /nfs/dbraw/zinc/83/89/21/1183838921.db2.gz BAJYBEBTJXXMAD-UHFFFAOYSA-N 1 2 319.767 3.324 20 10 DGCDLO COC(=O)c1ccc(Cl)c(C[N@@H+]2Cc3cccc(O)c3C2)c1 ZINC001474677166 1183960801 /nfs/dbraw/zinc/96/08/01/1183960801.db2.gz FLGRCIIWCFLQJO-UHFFFAOYSA-N 1 2 317.772 3.348 20 10 DGCDLO COC(=O)c1ccc(Cl)c(C[N@H+]2Cc3cccc(O)c3C2)c1 ZINC001474677166 1183960803 /nfs/dbraw/zinc/96/08/03/1183960803.db2.gz FLGRCIIWCFLQJO-UHFFFAOYSA-N 1 2 317.772 3.348 20 10 DGCDLO COC(=O)C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(C)(C)C ZINC001474725811 1183968963 /nfs/dbraw/zinc/96/89/63/1183968963.db2.gz MXFZNKHYBIKCOI-LBPRGKRZSA-N 1 2 317.788 3.252 20 10 DGCDLO COc1nscc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001615219659 1193517899 /nfs/dbraw/zinc/51/78/99/1193517899.db2.gz OURHTQWXSXGAOE-UHFFFAOYSA-N 1 2 317.458 3.382 20 10 DGCDLO COc1nscc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001615219659 1193517902 /nfs/dbraw/zinc/51/79/02/1193517902.db2.gz OURHTQWXSXGAOE-UHFFFAOYSA-N 1 2 317.458 3.382 20 10 DGCDLO C=C/C=C/CC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001615936009 1193531350 /nfs/dbraw/zinc/53/13/50/1193531350.db2.gz YLVDFCWAHIUBSS-SNAWJCMRSA-N 1 2 309.793 3.153 20 10 DGCDLO C=C/C=C/CC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001615936009 1193531351 /nfs/dbraw/zinc/53/13/51/1193531351.db2.gz YLVDFCWAHIUBSS-SNAWJCMRSA-N 1 2 309.793 3.153 20 10 DGCDLO COc1ccc2c(c1)OCC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001560784158 1189382007 /nfs/dbraw/zinc/38/20/07/1189382007.db2.gz JLDJUQIWENDLQV-UHFFFAOYSA-N 1 2 321.323 3.074 20 10 DGCDLO COc1ccc2c(c1)OCC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001560784158 1189382012 /nfs/dbraw/zinc/38/20/12/1189382012.db2.gz JLDJUQIWENDLQV-UHFFFAOYSA-N 1 2 321.323 3.074 20 10 DGCDLO COc1ccc([N@H+](CC[C@H]2COC(C)(C)O2)CC2CC2)cc1 ZINC001618018347 1193721852 /nfs/dbraw/zinc/72/18/52/1193721852.db2.gz KLAGHKLXMXBHBL-KRWDZBQOSA-N 1 2 305.418 3.453 20 10 DGCDLO COc1ccc([N@@H+](CC[C@H]2COC(C)(C)O2)CC2CC2)cc1 ZINC001618018347 1193721854 /nfs/dbraw/zinc/72/18/54/1193721854.db2.gz KLAGHKLXMXBHBL-KRWDZBQOSA-N 1 2 305.418 3.453 20 10 DGCDLO C[N@H+](Cc1sncc1Br)Cc1ccccc1O ZINC001642072249 1194886851 /nfs/dbraw/zinc/88/68/51/1194886851.db2.gz WQRQPNKWEDMTJO-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO C[N@@H+](Cc1sncc1Br)Cc1ccccc1O ZINC001642072249 1194886853 /nfs/dbraw/zinc/88/68/53/1194886853.db2.gz WQRQPNKWEDMTJO-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC001652979027 1195677191 /nfs/dbraw/zinc/67/71/91/1195677191.db2.gz GJGDMHLWLSCXKP-UHFFFAOYSA-N 1 2 322.330 3.132 20 10 DGCDLO Cc1nc2ccccn2c1C[NH2+]Cc1cccc(Cl)c1O ZINC001657116552 1196107694 /nfs/dbraw/zinc/10/76/94/1196107694.db2.gz RABZKFFPBMFXFD-UHFFFAOYSA-N 1 2 301.777 3.292 20 10 DGCDLO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)cc(F)c2O)C12CCC2 ZINC001658434743 1196256551 /nfs/dbraw/zinc/25/65/51/1196256551.db2.gz OBJFKXKPLGMNOB-GJZGRUSLSA-N 1 2 311.372 3.450 20 10 DGCDLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc(F)c2O)C12CCC2 ZINC001658434743 1196256557 /nfs/dbraw/zinc/25/65/57/1196256557.db2.gz OBJFKXKPLGMNOB-GJZGRUSLSA-N 1 2 311.372 3.450 20 10 DGCDLO COc1cc(C)c(C[N@@H+]2CC(C)(C)[C@@H]2c2nccn2C)c(O)c1 ZINC001659259356 1196364922 /nfs/dbraw/zinc/36/49/22/1196364922.db2.gz RHZFXOUPRIPGDN-INIZCTEOSA-N 1 2 315.417 3.026 20 10 DGCDLO COc1cc(C)c(C[N@H+]2CC(C)(C)[C@@H]2c2nccn2C)c(O)c1 ZINC001659259356 1196364926 /nfs/dbraw/zinc/36/49/26/1196364926.db2.gz RHZFXOUPRIPGDN-INIZCTEOSA-N 1 2 315.417 3.026 20 10 DGCDLO Cc1cc(C[N@@H+]2CCO[C@](C)(C(F)(F)F)C2)ccc1N(C)C ZINC001659853849 1196421815 /nfs/dbraw/zinc/42/18/15/1196421815.db2.gz OYBUSWKLMVNFPA-HNNXBMFYSA-N 1 2 316.367 3.214 20 10 DGCDLO Cc1cc(C[N@H+]2CCO[C@](C)(C(F)(F)F)C2)ccc1N(C)C ZINC001659853849 1196421822 /nfs/dbraw/zinc/42/18/22/1196421822.db2.gz OYBUSWKLMVNFPA-HNNXBMFYSA-N 1 2 316.367 3.214 20 10 DGCDLO Cc1cc(C[N@@H+]2CCO[C@@](C)(C(F)(F)F)C2)ccc1N(C)C ZINC001659853850 1196421875 /nfs/dbraw/zinc/42/18/75/1196421875.db2.gz OYBUSWKLMVNFPA-OAHLLOKOSA-N 1 2 316.367 3.214 20 10 DGCDLO Cc1cc(C[N@H+]2CCO[C@@](C)(C(F)(F)F)C2)ccc1N(C)C ZINC001659853850 1196421876 /nfs/dbraw/zinc/42/18/76/1196421876.db2.gz OYBUSWKLMVNFPA-OAHLLOKOSA-N 1 2 316.367 3.214 20 10 DGCDLO Cn1cc(CC[NH2+]Cc2cccc(Cl)c2O)c2cccnc21 ZINC001659861875 1196422976 /nfs/dbraw/zinc/42/29/76/1196422976.db2.gz DOGFGCBNEVAHQB-UHFFFAOYSA-N 1 2 315.804 3.265 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH2+]Cc1noc2cc(F)ccc12 ZINC001659895050 1196426088 /nfs/dbraw/zinc/42/60/88/1196426088.db2.gz USDLLJZPFXDUFK-UHFFFAOYSA-N 1 2 308.259 3.241 20 10 DGCDLO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](F)C2)c1O ZINC000689909021 1083455614 /nfs/dbraw/zinc/45/56/14/1083455614.db2.gz ZVQBMHCYEHKUHG-LBPRGKRZSA-N 1 2 302.187 3.397 20 10 DGCDLO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](F)C2)c1O ZINC000689909021 1083455622 /nfs/dbraw/zinc/45/56/22/1083455622.db2.gz ZVQBMHCYEHKUHG-LBPRGKRZSA-N 1 2 302.187 3.397 20 10 DGCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@](C)(C(F)F)O1 ZINC000698928420 1087707749 /nfs/dbraw/zinc/70/77/49/1087707749.db2.gz JSAQKNFERPBGRE-LKFCYVNXSA-N 1 2 305.752 3.290 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@](C)(C(F)F)O1 ZINC000698928420 1087707753 /nfs/dbraw/zinc/70/77/53/1087707753.db2.gz JSAQKNFERPBGRE-LKFCYVNXSA-N 1 2 305.752 3.290 20 10 DGCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@](C)(C(F)F)O1 ZINC000698928422 1087707852 /nfs/dbraw/zinc/70/78/52/1087707852.db2.gz JSAQKNFERPBGRE-XPTSAGLGSA-N 1 2 305.752 3.290 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@](C)(C(F)F)O1 ZINC000698928422 1087707854 /nfs/dbraw/zinc/70/78/54/1087707854.db2.gz JSAQKNFERPBGRE-XPTSAGLGSA-N 1 2 305.752 3.290 20 10 DGCDLO Cc1cc(C)c(CNc2cc(N3CCCCC3)nc[nH+]2)c(O)c1 ZINC001160811475 1088977021 /nfs/dbraw/zinc/97/70/21/1088977021.db2.gz NWSDQDNIMMGJOK-UHFFFAOYSA-N 1 2 312.417 3.401 20 10 DGCDLO Cc1cc(C)c(CNc2cc(N3CCCCC3)[nH+]cn2)c(O)c1 ZINC001160811475 1088977043 /nfs/dbraw/zinc/97/70/43/1088977043.db2.gz NWSDQDNIMMGJOK-UHFFFAOYSA-N 1 2 312.417 3.401 20 10 DGCDLO CCCCCCN1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC001203675049 1090777765 /nfs/dbraw/zinc/77/77/65/1090777765.db2.gz JLRQQQDKQIPGMK-UHFFFAOYSA-N 1 2 306.450 3.099 20 10 DGCDLO C[N@H+](Cc1ccc(O)c(O)c1)Cc1ccccc1Br ZINC001203875526 1090825630 /nfs/dbraw/zinc/82/56/30/1090825630.db2.gz OZIOULLEFNXWBT-UHFFFAOYSA-N 1 2 322.202 3.492 20 10 DGCDLO C[N@@H+](Cc1ccc(O)c(O)c1)Cc1ccccc1Br ZINC001203875526 1090825632 /nfs/dbraw/zinc/82/56/32/1090825632.db2.gz OZIOULLEFNXWBT-UHFFFAOYSA-N 1 2 322.202 3.492 20 10 DGCDLO Oc1ccc(C[N@@H+]2Cc3ccc(Br)cc3C2)c(O)c1 ZINC001204272804 1090937179 /nfs/dbraw/zinc/93/71/79/1090937179.db2.gz SNQMTUBOTADEKP-UHFFFAOYSA-N 1 2 320.186 3.376 20 10 DGCDLO Oc1ccc(C[N@H+]2Cc3ccc(Br)cc3C2)c(O)c1 ZINC001204272804 1090937186 /nfs/dbraw/zinc/93/71/86/1090937186.db2.gz SNQMTUBOTADEKP-UHFFFAOYSA-N 1 2 320.186 3.376 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC001139129225 1091459287 /nfs/dbraw/zinc/45/92/87/1091459287.db2.gz RCNBVCZHEBUYLW-DGCLKSJQSA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC001139129225 1091459292 /nfs/dbraw/zinc/45/92/92/1091459292.db2.gz RCNBVCZHEBUYLW-DGCLKSJQSA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@](C)(F)C1 ZINC001139127579 1091459466 /nfs/dbraw/zinc/45/94/66/1091459466.db2.gz YCTWUQAVPOGCBM-KRWDZBQOSA-N 1 2 305.349 3.131 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@](C)(F)C1 ZINC001139127579 1091459472 /nfs/dbraw/zinc/45/94/72/1091459472.db2.gz YCTWUQAVPOGCBM-KRWDZBQOSA-N 1 2 305.349 3.131 20 10 DGCDLO Oc1ccc(F)cc1C[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001140055165 1091751948 /nfs/dbraw/zinc/75/19/48/1091751948.db2.gz MUOQTGCCLXVYFW-UHFFFAOYSA-N 1 2 309.287 3.073 20 10 DGCDLO CC(C)[C@@H]1COCC[N@@H+]1Cc1c(O)cccc1Br ZINC001140101454 1091769541 /nfs/dbraw/zinc/76/95/41/1091769541.db2.gz SQVDCZYNTMUSLA-ZDUSSCGKSA-N 1 2 314.223 3.012 20 10 DGCDLO CC(C)[C@@H]1COCC[N@H+]1Cc1c(O)cccc1Br ZINC001140101454 1091769547 /nfs/dbraw/zinc/76/95/47/1091769547.db2.gz SQVDCZYNTMUSLA-ZDUSSCGKSA-N 1 2 314.223 3.012 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2cccnc2C)C1 ZINC001207155579 1091867193 /nfs/dbraw/zinc/86/71/93/1091867193.db2.gz ZKIAMROSLLESLJ-UHFFFAOYSA-N 1 2 321.424 3.449 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2cccnc2C)C1 ZINC001207155579 1091867199 /nfs/dbraw/zinc/86/71/99/1091867199.db2.gz ZKIAMROSLLESLJ-UHFFFAOYSA-N 1 2 321.424 3.449 20 10 DGCDLO CSc1ncc2c(n1)C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140464478 1091875824 /nfs/dbraw/zinc/87/58/24/1091875824.db2.gz RDQVVFAAYAGTQS-UHFFFAOYSA-N 1 2 321.833 3.116 20 10 DGCDLO CSc1ncc2c(n1)C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140464478 1091875832 /nfs/dbraw/zinc/87/58/32/1091875832.db2.gz RDQVVFAAYAGTQS-UHFFFAOYSA-N 1 2 321.833 3.116 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001140583105 1091919418 /nfs/dbraw/zinc/91/94/18/1091919418.db2.gz WGRJUOUEHGHSSI-GFCCVEGCSA-N 1 2 313.241 3.394 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001140583105 1091919425 /nfs/dbraw/zinc/91/94/25/1091919425.db2.gz WGRJUOUEHGHSSI-GFCCVEGCSA-N 1 2 313.241 3.394 20 10 DGCDLO COc1ccccc1CC[N@H+](C)Cc1c(O)cc(F)cc1F ZINC001140583433 1091919496 /nfs/dbraw/zinc/91/94/96/1091919496.db2.gz GQWMJKSFQONQPR-UHFFFAOYSA-N 1 2 307.340 3.354 20 10 DGCDLO COc1ccccc1CC[N@@H+](C)Cc1c(O)cc(F)cc1F ZINC001140583433 1091919503 /nfs/dbraw/zinc/91/95/03/1091919503.db2.gz GQWMJKSFQONQPR-UHFFFAOYSA-N 1 2 307.340 3.354 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001140585273 1091921853 /nfs/dbraw/zinc/92/18/53/1091921853.db2.gz CNNCOWYEQWHJBA-CQSZACIVSA-N 1 2 323.314 3.463 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001140585273 1091921854 /nfs/dbraw/zinc/92/18/54/1091921854.db2.gz CNNCOWYEQWHJBA-CQSZACIVSA-N 1 2 323.314 3.463 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(C)cc1O ZINC001140948745 1092074221 /nfs/dbraw/zinc/07/42/21/1092074221.db2.gz YGKKDSBDGBGLRS-UHFFFAOYSA-N 1 2 313.397 3.266 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(C)cc1O ZINC001140948745 1092074229 /nfs/dbraw/zinc/07/42/29/1092074229.db2.gz YGKKDSBDGBGLRS-UHFFFAOYSA-N 1 2 313.397 3.266 20 10 DGCDLO Cc1ccc(C[N@H+]2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001140957549 1092079381 /nfs/dbraw/zinc/07/93/81/1092079381.db2.gz DEIZBYVTRBOYET-OAHLLOKOSA-N 1 2 306.406 3.099 20 10 DGCDLO Cc1ccc(C[N@@H+]2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001140957549 1092079392 /nfs/dbraw/zinc/07/93/92/1092079392.db2.gz DEIZBYVTRBOYET-OAHLLOKOSA-N 1 2 306.406 3.099 20 10 DGCDLO c1cc2c(cn1)C[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141076054 1092129477 /nfs/dbraw/zinc/12/94/77/1092129477.db2.gz KXZWCYABAWRJFM-UHFFFAOYSA-N 1 2 305.425 3.296 20 10 DGCDLO c1cc2c(cn1)C[N@@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141076054 1092129484 /nfs/dbraw/zinc/12/94/84/1092129484.db2.gz KXZWCYABAWRJFM-UHFFFAOYSA-N 1 2 305.425 3.296 20 10 DGCDLO c1cnc2c(c1)C[N@@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141074909 1092129979 /nfs/dbraw/zinc/12/99/79/1092129979.db2.gz WNKONVWOSYXBIN-UHFFFAOYSA-N 1 2 305.425 3.296 20 10 DGCDLO c1cnc2c(c1)C[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141074909 1092129982 /nfs/dbraw/zinc/12/99/82/1092129982.db2.gz WNKONVWOSYXBIN-UHFFFAOYSA-N 1 2 305.425 3.296 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001142508863 1092491900 /nfs/dbraw/zinc/49/19/00/1092491900.db2.gz OIOJBBFTMOUEHK-UHFFFAOYSA-N 1 2 322.330 3.132 20 10 DGCDLO Oc1cccc(-c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)c1O ZINC001215145662 1093927318 /nfs/dbraw/zinc/92/73/18/1093927318.db2.gz APHDYNXBJCUNQU-UHFFFAOYSA-N 1 2 320.308 3.001 20 10 DGCDLO COc1ccc(N2CCCN(c3cc(F)cc(C)[nH+]3)CC2)cc1 ZINC001336986293 1094801921 /nfs/dbraw/zinc/80/19/21/1094801921.db2.gz BYBJMLXIHMOHOK-UHFFFAOYSA-N 1 2 315.392 3.254 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222421238 1095604992 /nfs/dbraw/zinc/60/49/92/1095604992.db2.gz KXHLZCOINUOOLE-HNNXBMFYSA-N 1 2 315.244 3.417 20 10 DGCDLO Oc1ccc(Br)cc1CNc1ccn2cc[nH+]c2c1 ZINC001171174885 1095643964 /nfs/dbraw/zinc/64/39/64/1095643964.db2.gz ANVMACJXFMPFDB-UHFFFAOYSA-N 1 2 318.174 3.415 20 10 DGCDLO CCN(C)c1ccc(C[N@@H+]2CCOC[C@H]2c2cccn2C)cc1 ZINC001116821359 1095670497 /nfs/dbraw/zinc/67/04/97/1095670497.db2.gz OWULXCXQPWRZMK-IBGZPJMESA-N 1 2 313.445 3.055 20 10 DGCDLO CCN(C)c1ccc(C[N@H+]2CCOC[C@H]2c2cccn2C)cc1 ZINC001116821359 1095670503 /nfs/dbraw/zinc/67/05/03/1095670503.db2.gz OWULXCXQPWRZMK-IBGZPJMESA-N 1 2 313.445 3.055 20 10 DGCDLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2c(C)cc(C)cc2O)no1 ZINC001231846152 1097861828 /nfs/dbraw/zinc/86/18/28/1097861828.db2.gz GVISLMQUTGBLDN-OAHLLOKOSA-N 1 2 301.390 3.428 20 10 DGCDLO Cc1nc([C@H]2CCCC[N@H+]2Cc2c(C)cc(C)cc2O)no1 ZINC001231846152 1097861836 /nfs/dbraw/zinc/86/18/36/1097861836.db2.gz GVISLMQUTGBLDN-OAHLLOKOSA-N 1 2 301.390 3.428 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001231912855 1097890957 /nfs/dbraw/zinc/89/09/57/1097890957.db2.gz CGQILQQIXZDJAB-UHFFFAOYSA-N 1 2 317.820 3.153 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCCN(c2cccnc2)CC1 ZINC001231912855 1097890964 /nfs/dbraw/zinc/89/09/64/1097890964.db2.gz CGQILQQIXZDJAB-UHFFFAOYSA-N 1 2 317.820 3.153 20 10 DGCDLO Cc1cnc2c(c1)C[N@H+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232263103 1097985177 /nfs/dbraw/zinc/98/51/77/1097985177.db2.gz GZKCHLMFKPTUJJ-UHFFFAOYSA-N 1 2 304.777 3.013 20 10 DGCDLO Cc1cnc2c(c1)C[N@@H+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232263103 1097985165 /nfs/dbraw/zinc/98/51/65/1097985165.db2.gz GZKCHLMFKPTUJJ-UHFFFAOYSA-N 1 2 304.777 3.013 20 10 DGCDLO Oc1cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc(O)c1O ZINC001233012038 1098204366 /nfs/dbraw/zinc/20/43/66/1098204366.db2.gz HVFMUWFBQDKXDD-CQSZACIVSA-N 1 2 317.410 3.094 20 10 DGCDLO Oc1cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cc(O)c1O ZINC001233012038 1098204373 /nfs/dbraw/zinc/20/43/73/1098204373.db2.gz HVFMUWFBQDKXDD-CQSZACIVSA-N 1 2 317.410 3.094 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)ccc(F)c1F ZINC001233077106 1098219837 /nfs/dbraw/zinc/21/98/37/1098219837.db2.gz DMIAKKIUIUTDEY-CQSZACIVSA-N 1 2 323.314 3.463 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)ccc(F)c1F ZINC001233077106 1098219840 /nfs/dbraw/zinc/21/98/40/1098219840.db2.gz DMIAKKIUIUTDEY-CQSZACIVSA-N 1 2 323.314 3.463 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@H]2COCc2ccccc2)ccc(F)c1F ZINC001233077425 1098220506 /nfs/dbraw/zinc/22/05/06/1098220506.db2.gz NFQMQHHYACELAJ-HNNXBMFYSA-N 1 2 319.351 3.462 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@H]2COCc2ccccc2)ccc(F)c1F ZINC001233077425 1098220507 /nfs/dbraw/zinc/22/05/07/1098220507.db2.gz NFQMQHHYACELAJ-HNNXBMFYSA-N 1 2 319.351 3.462 20 10 DGCDLO Cc1ccnn1C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC001233079102 1098220700 /nfs/dbraw/zinc/22/07/00/1098220700.db2.gz VYHPBQYRORFUJG-UHFFFAOYSA-N 1 2 307.344 3.012 20 10 DGCDLO Oc1c(C[NH+]2CCC(Oc3cccnc3)CC2)ccc(F)c1F ZINC001233077711 1098221148 /nfs/dbraw/zinc/22/11/48/1098221148.db2.gz XKCIESAQMIKIHA-UHFFFAOYSA-N 1 2 320.339 3.109 20 10 DGCDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1cc(C(C)(C)C)ccc1O ZINC001233284571 1098274673 /nfs/dbraw/zinc/27/46/73/1098274673.db2.gz ZPMMREJGWBEZLS-UHFFFAOYSA-N 1 2 307.434 3.463 20 10 DGCDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(C(C)(C)C)ccc1O ZINC001233284571 1098274678 /nfs/dbraw/zinc/27/46/78/1098274678.db2.gz ZPMMREJGWBEZLS-UHFFFAOYSA-N 1 2 307.434 3.463 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCc3cccnc3C2)c1O ZINC001233290501 1098278329 /nfs/dbraw/zinc/27/83/29/1098278329.db2.gz GHBXHQCFDLZBDJ-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCc3cccnc3C2)c1O ZINC001233290501 1098278332 /nfs/dbraw/zinc/27/83/32/1098278332.db2.gz GHBXHQCFDLZBDJ-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cccc(C[N@H+](C)Cc2c(O)ccc(F)c2F)c1OC ZINC001233335751 1098292688 /nfs/dbraw/zinc/29/26/88/1098292688.db2.gz JTOHGPPKPDHEJH-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO COc1cccc(C[N@@H+](C)Cc2c(O)ccc(F)c2F)c1OC ZINC001233335751 1098292696 /nfs/dbraw/zinc/29/26/96/1098292696.db2.gz JTOHGPPKPDHEJH-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO CC[N@H+](CCCC(=O)OC)Cc1cccc(C(F)(F)F)c1O ZINC001233415971 1098323160 /nfs/dbraw/zinc/32/31/60/1098323160.db2.gz QHVFYGLJULNOTK-UHFFFAOYSA-N 1 2 319.323 3.186 20 10 DGCDLO CC[N@@H+](CCCC(=O)OC)Cc1cccc(C(F)(F)F)c1O ZINC001233415971 1098323168 /nfs/dbraw/zinc/32/31/68/1098323168.db2.gz QHVFYGLJULNOTK-UHFFFAOYSA-N 1 2 319.323 3.186 20 10 DGCDLO CCN(CC[NH+]1CCCC1)Cc1cccc(C(F)(F)F)c1O ZINC001233418571 1098324173 /nfs/dbraw/zinc/32/41/73/1098324173.db2.gz MFMKWULEDZWMMJ-UHFFFAOYSA-N 1 2 316.367 3.329 20 10 DGCDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C(F)(F)F)cc1O ZINC001233452273 1098338007 /nfs/dbraw/zinc/33/80/07/1098338007.db2.gz QDTYALRRBIGNBU-UHFFFAOYSA-N 1 2 319.323 3.185 20 10 DGCDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C(F)(F)F)cc1O ZINC001233452273 1098338013 /nfs/dbraw/zinc/33/80/13/1098338013.db2.gz QDTYALRRBIGNBU-UHFFFAOYSA-N 1 2 319.323 3.185 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001235300891 1098949671 /nfs/dbraw/zinc/94/96/71/1098949671.db2.gz APRFDEHEYHWNOZ-GZMMTYOYSA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001235300891 1098949677 /nfs/dbraw/zinc/94/96/77/1098949677.db2.gz APRFDEHEYHWNOZ-GZMMTYOYSA-N 1 2 300.171 3.278 20 10 DGCDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C(C)(C)C)cc1O ZINC001235681235 1099124916 /nfs/dbraw/zinc/12/49/16/1099124916.db2.gz HCAJAOINYNCPJZ-UHFFFAOYSA-N 1 2 307.434 3.463 20 10 DGCDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C(C)(C)C)cc1O ZINC001235681235 1099124920 /nfs/dbraw/zinc/12/49/20/1099124920.db2.gz HCAJAOINYNCPJZ-UHFFFAOYSA-N 1 2 307.434 3.463 20 10 DGCDLO Oc1cccc(F)c1C[N@@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235789095 1099179876 /nfs/dbraw/zinc/17/98/76/1099179876.db2.gz CFRZQFOFOOQFCW-INIZCTEOSA-N 1 2 320.795 3.331 20 10 DGCDLO Oc1cccc(F)c1C[N@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235789095 1099179879 /nfs/dbraw/zinc/17/98/79/1099179879.db2.gz CFRZQFOFOOQFCW-INIZCTEOSA-N 1 2 320.795 3.331 20 10 DGCDLO CCOCCOC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001179983804 1099266175 /nfs/dbraw/zinc/26/61/75/1099266175.db2.gz FWCSCEUISZJZMH-UHFFFAOYSA-N 1 2 313.825 3.063 20 10 DGCDLO CN(Cc1cc(Cl)c(Cl)cc1O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236215022 1099471802 /nfs/dbraw/zinc/47/18/02/1099471802.db2.gz GZMPWERFYQSJSR-QWHCGFSZSA-N 1 2 303.233 3.401 20 10 DGCDLO Oc1ccc(C[N@@H+]2CCc3ncc(C(F)(F)F)cc3C2)c(O)c1 ZINC001204278594 1099492829 /nfs/dbraw/zinc/49/28/29/1099492829.db2.gz GFIILVJTFKPFID-UHFFFAOYSA-N 1 2 324.302 3.070 20 10 DGCDLO Oc1ccc(C[N@H+]2CCc3ncc(C(F)(F)F)cc3C2)c(O)c1 ZINC001204278594 1099492837 /nfs/dbraw/zinc/49/28/37/1099492837.db2.gz GFIILVJTFKPFID-UHFFFAOYSA-N 1 2 324.302 3.070 20 10 DGCDLO Oc1cc(F)cc(F)c1CN([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236655058 1099727075 /nfs/dbraw/zinc/72/70/75/1099727075.db2.gz YZPRNFVVNDLWFS-CQSZACIVSA-N 1 2 310.388 3.167 20 10 DGCDLO [O-]c1cc(F)cc(F)c1C[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236655058 1099727080 /nfs/dbraw/zinc/72/70/80/1099727080.db2.gz YZPRNFVVNDLWFS-CQSZACIVSA-N 1 2 310.388 3.167 20 10 DGCDLO [O-]c1cc(F)cc(F)c1C[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236655058 1099727086 /nfs/dbraw/zinc/72/70/86/1099727086.db2.gz YZPRNFVVNDLWFS-CQSZACIVSA-N 1 2 310.388 3.167 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]2CF)c1 ZINC001236669052 1099735206 /nfs/dbraw/zinc/73/52/06/1099735206.db2.gz GAKBDAPMWZWQKT-LLVKDONJSA-N 1 2 302.187 3.397 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]2CF)c1 ZINC001236669052 1099735213 /nfs/dbraw/zinc/73/52/13/1099735213.db2.gz GAKBDAPMWZWQKT-LLVKDONJSA-N 1 2 302.187 3.397 20 10 DGCDLO CCc1ccc(C[N@@H+]2CCCC[C@H]2c2noc(C)n2)c(O)c1 ZINC001236793773 1099787253 /nfs/dbraw/zinc/78/72/53/1099787253.db2.gz FJJCUEOSDVLRNE-HNNXBMFYSA-N 1 2 301.390 3.373 20 10 DGCDLO CCc1ccc(C[N@H+]2CCCC[C@H]2c2noc(C)n2)c(O)c1 ZINC001236793773 1099787257 /nfs/dbraw/zinc/78/72/57/1099787257.db2.gz FJJCUEOSDVLRNE-HNNXBMFYSA-N 1 2 301.390 3.373 20 10 DGCDLO CCc1ccc(C[N@H+](CC(=O)OC)Cc2ccccc2)c(O)c1 ZINC001236795350 1099791330 /nfs/dbraw/zinc/79/13/30/1099791330.db2.gz UOLIOJFCHJLOPD-UHFFFAOYSA-N 1 2 313.397 3.130 20 10 DGCDLO CCc1ccc(C[N@@H+](CC(=O)OC)Cc2ccccc2)c(O)c1 ZINC001236795350 1099791339 /nfs/dbraw/zinc/79/13/39/1099791339.db2.gz UOLIOJFCHJLOPD-UHFFFAOYSA-N 1 2 313.397 3.130 20 10 DGCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001236798667 1099793683 /nfs/dbraw/zinc/79/36/83/1099793683.db2.gz JSMBQIBZCQYCRQ-CQSZACIVSA-N 1 2 302.201 3.454 20 10 DGCDLO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001236798667 1099793687 /nfs/dbraw/zinc/79/36/87/1099793687.db2.gz JSMBQIBZCQYCRQ-CQSZACIVSA-N 1 2 302.201 3.454 20 10 DGCDLO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c(O)c1Cl ZINC001236801481 1099797141 /nfs/dbraw/zinc/79/71/41/1099797141.db2.gz JWWGZZSIMGCLKZ-BZNIZROVSA-N 1 2 313.825 3.037 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c(O)c1Cl ZINC001236801481 1099797151 /nfs/dbraw/zinc/79/71/51/1099797151.db2.gz JWWGZZSIMGCLKZ-BZNIZROVSA-N 1 2 313.825 3.037 20 10 DGCDLO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1Cc2ccncc2C1 ZINC001237056659 1099947056 /nfs/dbraw/zinc/94/70/56/1099947056.db2.gz NMSBJIGLEVOCOI-UHFFFAOYSA-N 1 2 324.302 3.244 20 10 DGCDLO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1Cc2ccncc2C1 ZINC001237056659 1099947067 /nfs/dbraw/zinc/94/70/67/1099947067.db2.gz NMSBJIGLEVOCOI-UHFFFAOYSA-N 1 2 324.302 3.244 20 10 DGCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237131986 1099985837 /nfs/dbraw/zinc/98/58/37/1099985837.db2.gz ZXSMMENZAWEFCK-CYBMUJFWSA-N 1 2 321.726 3.185 20 10 DGCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237131986 1099985845 /nfs/dbraw/zinc/98/58/45/1099985845.db2.gz ZXSMMENZAWEFCK-CYBMUJFWSA-N 1 2 321.726 3.185 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CCC1=O ZINC001237138805 1099989735 /nfs/dbraw/zinc/98/97/35/1099989735.db2.gz ZAPKXTJEIVTHFQ-JTQLQIEISA-N 1 2 301.308 3.212 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CCC1=O ZINC001237138805 1099989744 /nfs/dbraw/zinc/98/97/44/1099989744.db2.gz ZAPKXTJEIVTHFQ-JTQLQIEISA-N 1 2 301.308 3.212 20 10 DGCDLO CCOC(=O)C1([N@H+](Cc2ccccc2)Cc2ccc(N)cc2)CC1 ZINC001237465293 1100133698 /nfs/dbraw/zinc/13/36/98/1100133698.db2.gz UCCYALOISFKTCV-UHFFFAOYSA-N 1 2 324.424 3.367 20 10 DGCDLO CCOC(=O)C1([N@@H+](Cc2ccccc2)Cc2ccc(N)cc2)CC1 ZINC001237465293 1100133708 /nfs/dbraw/zinc/13/37/08/1100133708.db2.gz UCCYALOISFKTCV-UHFFFAOYSA-N 1 2 324.424 3.367 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@]1(C)O ZINC001237618414 1100190316 /nfs/dbraw/zinc/19/03/16/1100190316.db2.gz ZZMBQUXQPCYQQQ-BMIGLBTASA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@]1(C)O ZINC001237618414 1100190322 /nfs/dbraw/zinc/19/03/22/1100190322.db2.gz ZZMBQUXQPCYQQQ-BMIGLBTASA-N 1 2 301.789 3.168 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001237621850 1100191644 /nfs/dbraw/zinc/19/16/44/1100191644.db2.gz GZJKQVKQHLORRT-AWEZNQCLSA-N 1 2 322.767 3.233 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCOC(C)(C)C2)cc1Br ZINC001237676074 1100209622 /nfs/dbraw/zinc/20/96/22/1100209622.db2.gz DPKHARIQTURIST-UHFFFAOYSA-N 1 2 314.223 3.074 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCOC(C)(C)C2)cc1Br ZINC001237676074 1100209631 /nfs/dbraw/zinc/20/96/31/1100209631.db2.gz DPKHARIQTURIST-UHFFFAOYSA-N 1 2 314.223 3.074 20 10 DGCDLO COc1cc(C[N@@H+]2Cc3cccc(F)c3C2)c(O)c(OC)c1 ZINC001237677983 1100213025 /nfs/dbraw/zinc/21/30/25/1100213025.db2.gz INILVXXOFGXZDK-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO COc1cc(C[N@H+]2Cc3cccc(F)c3C2)c(O)c(OC)c1 ZINC001237677983 1100213032 /nfs/dbraw/zinc/21/30/32/1100213032.db2.gz INILVXXOFGXZDK-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO CC(C)[N@@H+]1CCN(Cc2cc(F)cc(Cl)c2O)C[C@@H]1C ZINC001237803243 1100251578 /nfs/dbraw/zinc/25/15/78/1100251578.db2.gz RTTDYMLUIYVHOB-NSHDSACASA-N 1 2 300.805 3.099 20 10 DGCDLO CC(C)[N@H+]1CCN(Cc2cc(F)cc(Cl)c2O)C[C@@H]1C ZINC001237803243 1100251589 /nfs/dbraw/zinc/25/15/89/1100251589.db2.gz RTTDYMLUIYVHOB-NSHDSACASA-N 1 2 300.805 3.099 20 10 DGCDLO CN1CC[N@H+](Cc2cc(F)c(Cl)cc2O)Cc2cccnc21 ZINC001237938011 1100296540 /nfs/dbraw/zinc/29/65/40/1100296540.db2.gz RMAXANKYUINPSE-UHFFFAOYSA-N 1 2 321.783 3.032 20 10 DGCDLO CN1CC[N@@H+](Cc2cc(F)c(Cl)cc2O)Cc2cccnc21 ZINC001237938011 1100296546 /nfs/dbraw/zinc/29/65/46/1100296546.db2.gz RMAXANKYUINPSE-UHFFFAOYSA-N 1 2 321.783 3.032 20 10 DGCDLO Cc1cc(F)cc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1O ZINC001238068782 1100348353 /nfs/dbraw/zinc/34/83/53/1100348353.db2.gz FRBICAAFOYLKHV-UHFFFAOYSA-N 1 2 313.376 3.065 20 10 DGCDLO Cc1cc(F)cc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c1O ZINC001238068782 1100348363 /nfs/dbraw/zinc/34/83/63/1100348363.db2.gz FRBICAAFOYLKHV-UHFFFAOYSA-N 1 2 313.376 3.065 20 10 DGCDLO CO[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001196887130 1101414863 /nfs/dbraw/zinc/41/48/63/1101414863.db2.gz FWACKQCCARECAJ-IINYFYTJSA-N 1 2 311.809 3.248 20 10 DGCDLO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001196887130 1101414869 /nfs/dbraw/zinc/41/48/69/1101414869.db2.gz FWACKQCCARECAJ-IINYFYTJSA-N 1 2 311.809 3.248 20 10 DGCDLO CC(C)[NH2+]c1ccc(Nc2ccc(N3CCNC(=O)C3)cc2)cc1 ZINC001201497366 1102612011 /nfs/dbraw/zinc/61/20/11/1102612011.db2.gz FZXNPISCKACDBR-UHFFFAOYSA-N 1 2 324.428 3.187 20 10 DGCDLO CC(C)[NH2+]c1ccc(Nc2cc(S(C)(=O)=O)ccc2N)cc1 ZINC001201499855 1102614415 /nfs/dbraw/zinc/61/44/15/1102614415.db2.gz QUMUFUPGHLNADC-UHFFFAOYSA-N 1 2 319.430 3.236 20 10 DGCDLO CC(C)[NH2+]c1ccc(Nc2cc(S(C)(=O)=O)ccc2O)cc1 ZINC001201498721 1102614792 /nfs/dbraw/zinc/61/47/92/1102614792.db2.gz DKFXSEHWMPVDJY-UHFFFAOYSA-N 1 2 320.414 3.360 20 10 DGCDLO Oc1cc(F)cc(F)c1CN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275306495 1104716093 /nfs/dbraw/zinc/71/60/93/1104716093.db2.gz KPNZOOGTVCKPQH-UHFFFAOYSA-N 1 2 322.399 3.121 20 10 DGCDLO Oc1cc(F)cc(F)c1CN1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001275306495 1104716100 /nfs/dbraw/zinc/71/61/00/1104716100.db2.gz KPNZOOGTVCKPQH-UHFFFAOYSA-N 1 2 322.399 3.121 20 10 DGCDLO Cc1oc(Br)nc1C[N@@H+](C)Cc1ccccc1O ZINC001249390159 1105278850 /nfs/dbraw/zinc/27/88/50/1105278850.db2.gz FSXRULNEIPRNNJ-UHFFFAOYSA-N 1 2 311.179 3.083 20 10 DGCDLO Cc1oc(Br)nc1C[N@H+](C)Cc1ccccc1O ZINC001249390159 1105278855 /nfs/dbraw/zinc/27/88/55/1105278855.db2.gz FSXRULNEIPRNNJ-UHFFFAOYSA-N 1 2 311.179 3.083 20 10 DGCDLO CC[N@H+](Cc1nc2ccc(OC)cc2[nH]1)Cc1ccccc1O ZINC001249415100 1105283365 /nfs/dbraw/zinc/28/33/65/1105283365.db2.gz KQRIELDUOFHTEY-UHFFFAOYSA-N 1 2 311.385 3.299 20 10 DGCDLO CC[N@@H+](Cc1nc2ccc(OC)cc2[nH]1)Cc1ccccc1O ZINC001249415100 1105283368 /nfs/dbraw/zinc/28/33/68/1105283368.db2.gz KQRIELDUOFHTEY-UHFFFAOYSA-N 1 2 311.385 3.299 20 10 DGCDLO CC[C@H]([NH2+]Cc1c(C)c(C)n[nH]c1=O)c1cccc(Cl)c1O ZINC001258391611 1106728137 /nfs/dbraw/zinc/72/81/37/1106728137.db2.gz LQVZPLATFKNZSM-AWEZNQCLSA-N 1 2 321.808 3.399 20 10 DGCDLO COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(C)[nH+]c2C)c1 ZINC001321036628 1107230058 /nfs/dbraw/zinc/23/00/58/1107230058.db2.gz BIBRQJYIWMHZBT-NSHDSACASA-N 1 2 300.358 3.364 20 10 DGCDLO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC001325357004 1108631169 /nfs/dbraw/zinc/63/11/69/1108631169.db2.gz NGSWMWPVZHEFOO-NXEZZACHSA-N 1 2 315.360 3.441 20 10 DGCDLO CC[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1noc(C)n1 ZINC001308304413 1111414414 /nfs/dbraw/zinc/41/44/14/1111414414.db2.gz ZCTAFRWEYIPFPK-MOEXGYKKSA-N 1 2 300.406 3.198 20 10 DGCDLO O=C1Nc2ccccc2CC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC001308840422 1111482528 /nfs/dbraw/zinc/48/25/28/1111482528.db2.gz GQRVVGGQHOJSTF-OAHLLOKOSA-N 1 2 316.788 3.089 20 10 DGCDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc(Cl)c1O ZINC000092437921 185318424 /nfs/dbraw/zinc/31/84/24/185318424.db2.gz HCSRKLQIKGHCII-UHFFFAOYSA-N 1 2 314.216 3.455 20 10 DGCDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc(Cl)c1O ZINC000092437921 185318425 /nfs/dbraw/zinc/31/84/25/185318425.db2.gz HCSRKLQIKGHCII-UHFFFAOYSA-N 1 2 314.216 3.455 20 10 DGCDLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000180282061 432082818 /nfs/dbraw/zinc/08/28/18/432082818.db2.gz IDBPAJHFPWKNTH-MRXNPFEDSA-N 1 2 303.789 3.137 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)c2ccccn2)c1O ZINC000091701813 193093784 /nfs/dbraw/zinc/09/37/84/193093784.db2.gz WLALYMNPRNDYIK-NSHDSACASA-N 1 2 302.349 3.322 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C)c2ccccn2)c1O ZINC000091701813 193093785 /nfs/dbraw/zinc/09/37/85/193093785.db2.gz WLALYMNPRNDYIK-NSHDSACASA-N 1 2 302.349 3.322 20 10 DGCDLO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1O ZINC000276997211 299384063 /nfs/dbraw/zinc/38/40/63/299384063.db2.gz YRAWUODMFQJFGU-TVQRCGJNSA-N 1 2 307.344 3.132 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(F)c(F)c1O ZINC000191183575 296128316 /nfs/dbraw/zinc/12/83/16/296128316.db2.gz ACXLZIHDMWEBJO-MFKMUULPSA-N 1 2 310.344 3.217 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)c1nncn1C ZINC000278664978 296149648 /nfs/dbraw/zinc/14/96/48/296149648.db2.gz IXRGPURGAWVBAL-JGVFFNPUSA-N 1 2 315.204 3.239 20 10 DGCDLO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1O ZINC000185639450 533425694 /nfs/dbraw/zinc/42/56/94/533425694.db2.gz TWYFLIYVLBGTQU-OQPBUACISA-N 1 2 322.257 3.218 20 10 DGCDLO COCCOCCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000273431108 130120395 /nfs/dbraw/zinc/12/03/95/130120395.db2.gz VRPSTTMTSNRZHM-JTQLQIEISA-N 1 2 322.232 3.403 20 10 DGCDLO COC(=O)c1ccc(O)c([C@H](C)Nc2ccc([NH+](C)C)cc2)c1 ZINC000273456964 130123865 /nfs/dbraw/zinc/12/38/65/130123865.db2.gz PTSSWTVRCNJUCF-LBPRGKRZSA-N 1 2 314.385 3.418 20 10 DGCDLO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(F)cc1O ZINC000273512989 130130791 /nfs/dbraw/zinc/13/07/91/130130791.db2.gz RZNLSGQAPVHSGM-OTYXRUKQSA-N 1 2 311.303 3.194 20 10 DGCDLO COCC[N@H+](Cc1cccnc1)Cc1c(O)cccc1Cl ZINC000289405781 131383513 /nfs/dbraw/zinc/38/35/13/131383513.db2.gz HCSLIKFKWTUDQH-UHFFFAOYSA-N 1 2 306.793 3.089 20 10 DGCDLO COCC[N@@H+](Cc1cccnc1)Cc1c(O)cccc1Cl ZINC000289405781 131383514 /nfs/dbraw/zinc/38/35/14/131383514.db2.gz HCSLIKFKWTUDQH-UHFFFAOYSA-N 1 2 306.793 3.089 20 10 DGCDLO COc1ccc([NH+]2CCC(Nc3ncccc3F)CC2)cc1 ZINC000084485702 401142922 /nfs/dbraw/zinc/14/29/22/401142922.db2.gz CQZSSHBARMKEPW-UHFFFAOYSA-N 1 2 301.365 3.310 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000374541763 229566810 /nfs/dbraw/zinc/56/68/10/229566810.db2.gz QCKCWHQTLRBJFZ-NSHDSACASA-N 1 2 312.200 3.069 20 10 DGCDLO CC[C@H]([NH2+][C@@H](CCO)COC)c1cc(Cl)cc(Cl)c1O ZINC000287281808 288063349 /nfs/dbraw/zinc/06/33/49/288063349.db2.gz BMOZJFBDIMEDOU-GWCFXTLKSA-N 1 2 322.232 3.137 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1O ZINC000287643177 288091441 /nfs/dbraw/zinc/09/14/41/288091441.db2.gz KYHFFAYWNOVYQD-FZMZJTMJSA-N 1 2 320.824 3.001 20 10 DGCDLO Cc1ccc(O)c(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000120972772 431738238 /nfs/dbraw/zinc/73/82/38/431738238.db2.gz HYHVRYQDFANGHT-UHFFFAOYSA-N 1 2 312.413 3.145 20 10 DGCDLO Cc1c[nH+]ccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000121392879 431781109 /nfs/dbraw/zinc/78/11/09/431781109.db2.gz ZHVCPNKGRXHERL-UHFFFAOYSA-N 1 2 311.385 3.296 20 10 DGCDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cc(Cl)ccc2O)cn1 ZINC000191738002 432296756 /nfs/dbraw/zinc/29/67/56/432296756.db2.gz VHRPJFWXRGEOPB-AWEZNQCLSA-N 1 2 323.849 3.069 20 10 DGCDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cc(Cl)ccc2O)cn1 ZINC000191738002 432296757 /nfs/dbraw/zinc/29/67/57/432296757.db2.gz VHRPJFWXRGEOPB-AWEZNQCLSA-N 1 2 323.849 3.069 20 10 DGCDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000191431332 432263755 /nfs/dbraw/zinc/26/37/55/432263755.db2.gz JOHVIQRGSGBLSP-CYBMUJFWSA-N 1 2 323.799 3.428 20 10 DGCDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000191431332 432263759 /nfs/dbraw/zinc/26/37/59/432263759.db2.gz JOHVIQRGSGBLSP-CYBMUJFWSA-N 1 2 323.799 3.428 20 10 DGCDLO c1cc(N2CCCC2)ccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000192277607 432353281 /nfs/dbraw/zinc/35/32/81/432353281.db2.gz PIRDMQUOSLKAJC-UHFFFAOYSA-N 1 2 323.444 3.289 20 10 DGCDLO c1cc(N2CCCC2)ccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000192277607 432353285 /nfs/dbraw/zinc/35/32/85/432353285.db2.gz PIRDMQUOSLKAJC-UHFFFAOYSA-N 1 2 323.444 3.289 20 10 DGCDLO CCOC(=O)CC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000271731561 432422798 /nfs/dbraw/zinc/42/27/98/432422798.db2.gz NDCVDJVEZOHBFX-UHFFFAOYSA-N 1 2 311.809 3.211 20 10 DGCDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177094226 432585188 /nfs/dbraw/zinc/58/51/88/432585188.db2.gz BEDJFSPLQHZLOX-UHFFFAOYSA-N 1 2 321.808 3.004 20 10 DGCDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177094226 432585191 /nfs/dbraw/zinc/58/51/91/432585191.db2.gz BEDJFSPLQHZLOX-UHFFFAOYSA-N 1 2 321.808 3.004 20 10 DGCDLO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187720124 432679572 /nfs/dbraw/zinc/67/95/72/432679572.db2.gz YMWMBMGAXJWPAZ-PIGZYNQJSA-N 1 2 307.340 3.229 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187748084 432681473 /nfs/dbraw/zinc/68/14/73/432681473.db2.gz IPZQRMZOZMTSEF-YPMHNXCESA-N 1 2 307.340 3.097 20 10 DGCDLO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187806188 432686547 /nfs/dbraw/zinc/68/65/47/432686547.db2.gz GNOBSLMEPCDPTE-JTQLQIEISA-N 1 2 323.387 3.380 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)[C@H](O)C(F)(F)F ZINC000276912642 432827666 /nfs/dbraw/zinc/82/76/66/432827666.db2.gz LANINZNLCJTYNB-HQLZOWSPSA-N 1 2 313.266 3.023 20 10 DGCDLO CN(C)c1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1 ZINC000268174030 432852118 /nfs/dbraw/zinc/85/21/18/432852118.db2.gz HBRKOUOPXCJVRT-UHFFFAOYSA-N 1 2 304.463 3.191 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)c1ncn(C)n1 ZINC000278793776 432902082 /nfs/dbraw/zinc/90/20/82/432902082.db2.gz QNPZHNXNXJXAGZ-YUMQZZPRSA-N 1 2 315.204 3.239 20 10 DGCDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000289800593 432974692 /nfs/dbraw/zinc/97/46/92/432974692.db2.gz MTQJSKGFYFAFFT-INIZCTEOSA-N 1 2 318.396 3.310 20 10 DGCDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000289800593 432974695 /nfs/dbraw/zinc/97/46/95/432974695.db2.gz MTQJSKGFYFAFFT-INIZCTEOSA-N 1 2 318.396 3.310 20 10 DGCDLO CCOCc1nc([C@H](C)[NH2+][C@H](CC)c2ccccc2O)no1 ZINC000290140798 433000135 /nfs/dbraw/zinc/00/01/35/433000135.db2.gz KQIUWMQZFADWPY-WCQYABFASA-N 1 2 305.378 3.114 20 10 DGCDLO C[S@](=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000280618977 433110901 /nfs/dbraw/zinc/11/09/01/433110901.db2.gz KVKTVTMHIPYJSM-IBGZPJMESA-N 1 2 322.257 3.090 20 10 DGCDLO CCCCN(Cc1ccccc1O)C(=O)c1ccc2[nH+]ccn2c1 ZINC000282596636 433618135 /nfs/dbraw/zinc/61/81/35/433618135.db2.gz XPAOGYVHLNGZIU-UHFFFAOYSA-N 1 2 323.396 3.482 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000293933981 433932967 /nfs/dbraw/zinc/93/29/67/433932967.db2.gz HQSWKCFHILWABN-IRXDYDNUSA-N 1 2 323.820 3.198 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000293933981 433932971 /nfs/dbraw/zinc/93/29/71/433932971.db2.gz HQSWKCFHILWABN-IRXDYDNUSA-N 1 2 323.820 3.198 20 10 DGCDLO COc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000186639611 295166311 /nfs/dbraw/zinc/16/63/11/295166311.db2.gz AREZOJDVTZKRLU-CYBMUJFWSA-N 1 2 322.455 3.147 20 10 DGCDLO COc1ccc(O)c(C[N@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000186639611 295166314 /nfs/dbraw/zinc/16/63/14/295166314.db2.gz AREZOJDVTZKRLU-CYBMUJFWSA-N 1 2 322.455 3.147 20 10 DGCDLO CCOc1cccc(C[N@@H+]2CCCC[C@H]2c2noc(C)n2)c1O ZINC000372838961 434857516 /nfs/dbraw/zinc/85/75/16/434857516.db2.gz RHUNUIMZAIMUPI-AWEZNQCLSA-N 1 2 317.389 3.210 20 10 DGCDLO CCOc1cccc(C[N@H+]2CCCC[C@H]2c2noc(C)n2)c1O ZINC000372838961 434857519 /nfs/dbraw/zinc/85/75/19/434857519.db2.gz RHUNUIMZAIMUPI-AWEZNQCLSA-N 1 2 317.389 3.210 20 10 DGCDLO CCCC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)C(=O)OC ZINC000481608017 435434216 /nfs/dbraw/zinc/43/42/16/435434216.db2.gz LCPPMDDKLAQLKG-HNNXBMFYSA-N 1 2 302.418 3.308 20 10 DGCDLO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187742401 333237114 /nfs/dbraw/zinc/23/71/14/333237114.db2.gz RJDVTBMTVBUYDT-VXGBXAGGSA-N 1 2 301.377 3.366 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000278403383 334096075 /nfs/dbraw/zinc/09/60/75/334096075.db2.gz OPBBWOZGMKOOCK-GWCFXTLKSA-N 1 2 323.742 3.181 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000278403383 334096076 /nfs/dbraw/zinc/09/60/76/334096076.db2.gz OPBBWOZGMKOOCK-GWCFXTLKSA-N 1 2 323.742 3.181 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1O ZINC000184682165 533954165 /nfs/dbraw/zinc/95/41/65/533954165.db2.gz YMIWJZXHNBDEMR-LLVKDONJSA-N 1 2 321.808 3.157 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1O ZINC000184682165 533954175 /nfs/dbraw/zinc/95/41/75/533954175.db2.gz YMIWJZXHNBDEMR-LLVKDONJSA-N 1 2 321.808 3.157 20 10 DGCDLO CCCOc1ccc(C[N@H+](C)Cc2ncc(Cl)n2C)c(O)c1 ZINC000181144448 520346164 /nfs/dbraw/zinc/34/61/64/520346164.db2.gz LGPWOVXEPTYXQU-UHFFFAOYSA-N 1 2 323.824 3.200 20 10 DGCDLO CCCOc1ccc(C[N@@H+](C)Cc2ncc(Cl)n2C)c(O)c1 ZINC000181144448 520346172 /nfs/dbraw/zinc/34/61/72/520346172.db2.gz LGPWOVXEPTYXQU-UHFFFAOYSA-N 1 2 323.824 3.200 20 10 DGCDLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)c(C)n1-c1ccccc1C ZINC000267094216 524114659 /nfs/dbraw/zinc/11/46/59/524114659.db2.gz MWDPIYPBDGQOAY-UHFFFAOYSA-N 1 2 322.412 3.364 20 10 DGCDLO C[S@@](=O)C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000182099748 525368077 /nfs/dbraw/zinc/36/80/77/525368077.db2.gz IJYKAEOPHJBUSM-YCRPNKLZSA-N 1 2 323.845 3.255 20 10 DGCDLO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1O ZINC000191181665 525452726 /nfs/dbraw/zinc/45/27/26/525452726.db2.gz APDJNVCQKIHKQV-VIFPVBQESA-N 1 2 307.296 3.250 20 10 DGCDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000180060212 526348325 /nfs/dbraw/zinc/34/83/25/526348325.db2.gz KAVSDPDXIYSZPH-QGZVFWFLSA-N 1 2 305.324 3.244 20 10 DGCDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000180060212 526348331 /nfs/dbraw/zinc/34/83/31/526348331.db2.gz KAVSDPDXIYSZPH-QGZVFWFLSA-N 1 2 305.324 3.244 20 10 DGCDLO CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1O ZINC000286887828 535404889 /nfs/dbraw/zinc/40/48/89/535404889.db2.gz ISNOPZHSIWHQAA-UFBFGSQYSA-N 1 2 319.232 3.264 20 10 DGCDLO CCC[N@H+](Cc1cc(F)cc(F)c1O)[C@@H](CC)C(=O)OCC ZINC001658849500 1196309924 /nfs/dbraw/zinc/30/99/24/1196309924.db2.gz ZAMSPIJRFXLVTP-AWEZNQCLSA-N 1 2 315.360 3.224 20 10 DGCDLO CCC[N@@H+](Cc1cc(F)cc(F)c1O)[C@@H](CC)C(=O)OCC ZINC001658849500 1196309925 /nfs/dbraw/zinc/30/99/25/1196309925.db2.gz ZAMSPIJRFXLVTP-AWEZNQCLSA-N 1 2 315.360 3.224 20 10 DGCDLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)c(C)n1-c1ccccc1C ZINC000731857456 574560370 /nfs/dbraw/zinc/56/03/70/574560370.db2.gz CBSDMKDPSZDNFB-UHFFFAOYSA-N 1 2 321.380 3.177 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)c2nnc(C)o2)cc1 ZINC000738300212 574864933 /nfs/dbraw/zinc/86/49/33/574864933.db2.gz UUWQJDZUWCZGFU-CYBMUJFWSA-N 1 2 302.422 3.417 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)c2nnc(C)o2)cc1 ZINC000738300212 574864934 /nfs/dbraw/zinc/86/49/34/574864934.db2.gz UUWQJDZUWCZGFU-CYBMUJFWSA-N 1 2 302.422 3.417 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H](C)O1 ZINC000750045479 575699943 /nfs/dbraw/zinc/69/99/43/575699943.db2.gz RKIUDVUBDGTSPN-YGRLFVJLSA-N 1 2 311.809 3.248 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H](C)O1 ZINC000750045479 575699945 /nfs/dbraw/zinc/69/99/45/575699945.db2.gz RKIUDVUBDGTSPN-YGRLFVJLSA-N 1 2 311.809 3.248 20 10 DGCDLO C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000854232450 620787144 /nfs/dbraw/zinc/78/71/44/620787144.db2.gz QDEZLMZXQQHKJK-YUMQZZPRSA-N 1 2 321.646 3.067 20 10 DGCDLO CCC[N@H+](Cc1ncc(C(=O)OC)s1)Cc1ccccc1O ZINC000893984953 618690170 /nfs/dbraw/zinc/69/01/70/618690170.db2.gz VTHFYAVJADAXTI-UHFFFAOYSA-N 1 2 320.414 3.048 20 10 DGCDLO CCC[N@@H+](Cc1ncc(C(=O)OC)s1)Cc1ccccc1O ZINC000893984953 618690173 /nfs/dbraw/zinc/69/01/73/618690173.db2.gz VTHFYAVJADAXTI-UHFFFAOYSA-N 1 2 320.414 3.048 20 10 DGCDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894093003 618708369 /nfs/dbraw/zinc/70/83/69/618708369.db2.gz ATFNBTKLWKIZGL-HNNXBMFYSA-N 1 2 307.344 3.049 20 10 DGCDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894093003 618708370 /nfs/dbraw/zinc/70/83/70/618708370.db2.gz ATFNBTKLWKIZGL-HNNXBMFYSA-N 1 2 307.344 3.049 20 10 DGCDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894095314 618709076 /nfs/dbraw/zinc/70/90/76/618709076.db2.gz QTZONTFGZLFQLE-UHFFFAOYSA-N 1 2 300.736 3.294 20 10 DGCDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894095314 618709078 /nfs/dbraw/zinc/70/90/78/618709078.db2.gz QTZONTFGZLFQLE-UHFFFAOYSA-N 1 2 300.736 3.294 20 10 DGCDLO C[NH+](C)CC[C@H](NCc1cccc(Cl)c1O)c1cccnc1 ZINC000896718763 618947865 /nfs/dbraw/zinc/94/78/65/618947865.db2.gz CXRLGVLMJUJOAB-INIZCTEOSA-N 1 2 319.836 3.223 20 10 DGCDLO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cccc(Cl)c3O)C2)n1 ZINC000897046447 619006329 /nfs/dbraw/zinc/00/63/29/619006329.db2.gz ZEZLPBXOFIHSKW-CMPLNLGQSA-N 1 2 321.808 3.417 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000898142801 619218173 /nfs/dbraw/zinc/21/81/73/619218173.db2.gz SNFRPZXYBVAVML-NVXWUHKLSA-N 1 2 317.816 3.081 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000898142801 619218175 /nfs/dbraw/zinc/21/81/75/619218175.db2.gz SNFRPZXYBVAVML-NVXWUHKLSA-N 1 2 317.816 3.081 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000898215792 619222336 /nfs/dbraw/zinc/22/23/36/619222336.db2.gz QXEWSXZBBBPMLY-MAZHCROVSA-N 1 2 307.821 3.483 20 10 DGCDLO COC(=O)c1cc(C[NH2+]Cc2cccc(Cl)c2O)oc1C ZINC000898218343 619222357 /nfs/dbraw/zinc/22/23/57/619222357.db2.gz FHIHVSWYOCPROL-UHFFFAOYSA-N 1 2 309.749 3.023 20 10 DGCDLO Cn1cc(C[NH2+]Cc2cccc(Cl)c2O)c(C(C)(C)C)n1 ZINC000898218822 619222742 /nfs/dbraw/zinc/22/27/42/619222742.db2.gz PZGIYKJLEOVZNN-UHFFFAOYSA-N 1 2 307.825 3.366 20 10 DGCDLO COc1cc(C[NH2+]Cc2cccc(Cl)c2O)cc2c1OCO2 ZINC000898220072 619222925 /nfs/dbraw/zinc/22/29/25/619222925.db2.gz SYFJANKJSAEBNF-UHFFFAOYSA-N 1 2 321.760 3.073 20 10 DGCDLO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]1C ZINC000898218801 619222958 /nfs/dbraw/zinc/22/29/58/619222958.db2.gz PRPQGFOJXJCGQH-COPLHBTASA-N 1 2 311.809 3.113 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cc(F)cc(F)c1O ZINC000927108381 619266692 /nfs/dbraw/zinc/26/66/92/619266692.db2.gz NQCGNBADVMUBTG-SECBINFHSA-N 1 2 307.344 3.132 20 10 DGCDLO C[C@H]([NH2+][C@@H](CO)CCc1ccccc1)c1cc(F)cc(F)c1O ZINC000903292176 619752053 /nfs/dbraw/zinc/75/20/53/619752053.db2.gz CUOBGAGPDSYWJP-SWLSCSKDSA-N 1 2 321.367 3.315 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1ccc(F)cc1O ZINC000903342113 619760649 /nfs/dbraw/zinc/76/06/49/619760649.db2.gz WTNPEYVWFZSXHU-MRVPVSSYSA-N 1 2 317.286 3.134 20 10 DGCDLO COc1ccc(O)c([C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC000907060881 620136068 /nfs/dbraw/zinc/13/60/68/620136068.db2.gz PZLHKAKRQUNGDH-LBPRGKRZSA-N 1 2 314.385 3.212 20 10 DGCDLO CC(C)n1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)n1 ZINC000858141747 621157282 /nfs/dbraw/zinc/15/72/82/621157282.db2.gz SEIXSSQHZGKSKP-UHFFFAOYSA-N 1 2 308.376 3.098 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2Cc3cccc(F)c3C2)cc1OC ZINC000839181872 621343729 /nfs/dbraw/zinc/34/37/29/621343729.db2.gz DZJKKLMDBQGHPU-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO COc1cc(O)c(C[N@H+]2Cc3cccc(F)c3C2)cc1OC ZINC000839181872 621343732 /nfs/dbraw/zinc/34/37/32/621343732.db2.gz DZJKKLMDBQGHPU-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2cc(F)c(N(C)C)cc2F)cn1 ZINC000862324676 621574370 /nfs/dbraw/zinc/57/43/70/621574370.db2.gz SANMOBADKCVOPP-UHFFFAOYSA-N 1 2 321.371 3.066 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)cn1 ZINC000862324676 621574373 /nfs/dbraw/zinc/57/43/73/621574373.db2.gz SANMOBADKCVOPP-UHFFFAOYSA-N 1 2 321.371 3.066 20 10 DGCDLO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756366693 621631753 /nfs/dbraw/zinc/63/17/53/621631753.db2.gz HWUKFLPFFNYOAO-SNVBAGLBSA-N 1 2 320.339 3.480 20 10 DGCDLO CC(C)C[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)N(C)C ZINC000756400003 621635563 /nfs/dbraw/zinc/63/55/63/621635563.db2.gz SMDNPDMJRKSLTI-DGCLKSJQSA-N 1 2 300.393 3.297 20 10 DGCDLO C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N1CCC[C@@H](C)C1 ZINC000756410838 621636413 /nfs/dbraw/zinc/63/64/13/621636413.db2.gz KJTKFRYOCQZGDT-UPJWGTAASA-N 1 2 312.404 3.441 20 10 DGCDLO C[C@@H]([NH2+]C1CCOCC1)c1cc(Br)c(F)cc1O ZINC000756434231 621638344 /nfs/dbraw/zinc/63/83/44/621638344.db2.gz VIMNZOSIEMQLBC-MRVPVSSYSA-N 1 2 318.186 3.123 20 10 DGCDLO Cc1ccn2cc(C[NH2+][C@H](C)c3cc(F)cc(F)c3O)nc2c1 ZINC000756533441 621645360 /nfs/dbraw/zinc/64/53/60/621645360.db2.gz HQJWTJKPMGHDDF-LLVKDONJSA-N 1 2 317.339 3.477 20 10 DGCDLO C[C@@H]([NH2+]Cc1cocn1)c1cc(Br)c(F)cc1O ZINC000756831232 621667093 /nfs/dbraw/zinc/66/70/93/621667093.db2.gz MLEHMDYTTHCSIJ-SSDOTTSWSA-N 1 2 315.142 3.133 20 10 DGCDLO CCC[N@H+](CC(=O)OCC)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000756908740 621672331 /nfs/dbraw/zinc/67/23/31/621672331.db2.gz JPWOFGPEXXAEFE-UHFFFAOYSA-N 1 2 323.433 3.170 20 10 DGCDLO CCC[N@@H+](CC(=O)OCC)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000756908740 621672332 /nfs/dbraw/zinc/67/23/32/621672332.db2.gz JPWOFGPEXXAEFE-UHFFFAOYSA-N 1 2 323.433 3.170 20 10 DGCDLO c1csc(SCCCNc2cc(NCC3CC3)nc[nH+]2)n1 ZINC000758037830 621755086 /nfs/dbraw/zinc/75/50/86/621755086.db2.gz SNBWJBIXUKVPAP-UHFFFAOYSA-N 1 2 321.475 3.349 20 10 DGCDLO c1csc(SCCCNc2cc(NCC3CC3)[nH+]cn2)n1 ZINC000758037830 621755090 /nfs/dbraw/zinc/75/50/90/621755090.db2.gz SNBWJBIXUKVPAP-UHFFFAOYSA-N 1 2 321.475 3.349 20 10 DGCDLO Oc1cccc(Cl)c1C[NH+]1CCN(Cc2ccsc2)CC1 ZINC000768207310 622445654 /nfs/dbraw/zinc/44/56/54/622445654.db2.gz BUFZNMMUWGGFDG-UHFFFAOYSA-N 1 2 322.861 3.425 20 10 DGCDLO CCN(C)c1ccc(C[N@H+](C)Cc2ncc(Cl)n2C)cc1 ZINC000773831174 623075984 /nfs/dbraw/zinc/07/59/84/623075984.db2.gz HWXFGBHFVSEWGC-UHFFFAOYSA-N 1 2 306.841 3.162 20 10 DGCDLO CCN(C)c1ccc(C[N@@H+](C)Cc2ncc(Cl)n2C)cc1 ZINC000773831174 623075991 /nfs/dbraw/zinc/07/59/91/623075991.db2.gz HWXFGBHFVSEWGC-UHFFFAOYSA-N 1 2 306.841 3.162 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000775166843 623237615 /nfs/dbraw/zinc/23/76/15/623237615.db2.gz BHUGBFFPRGPNJX-AWEZNQCLSA-N 1 2 313.731 3.147 20 10 DGCDLO OCC[N@H+](Cc1cc(Cl)cc(F)c1O)C1CCCCC1 ZINC000775633258 623299748 /nfs/dbraw/zinc/29/97/48/623299748.db2.gz GOJYYRGRYHYDBD-UHFFFAOYSA-N 1 2 301.789 3.312 20 10 DGCDLO OCC[N@@H+](Cc1cc(Cl)cc(F)c1O)C1CCCCC1 ZINC000775633258 623299751 /nfs/dbraw/zinc/29/97/51/623299751.db2.gz GOJYYRGRYHYDBD-UHFFFAOYSA-N 1 2 301.789 3.312 20 10 DGCDLO CN1CC[N@H+](Cc2cccc(Cl)c2O)Cc2ccccc21 ZINC000775676305 623312372 /nfs/dbraw/zinc/31/23/72/623312372.db2.gz QDHQNOXZZVIWEP-UHFFFAOYSA-N 1 2 302.805 3.498 20 10 DGCDLO CN1CC[N@@H+](Cc2cccc(Cl)c2O)Cc2ccccc21 ZINC000775676305 623312376 /nfs/dbraw/zinc/31/23/76/623312376.db2.gz QDHQNOXZZVIWEP-UHFFFAOYSA-N 1 2 302.805 3.498 20 10 DGCDLO COC(=O)CCC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775694683 623314609 /nfs/dbraw/zinc/31/46/09/623314609.db2.gz OBWWBSLELJNPDH-UHFFFAOYSA-N 1 2 311.809 3.211 20 10 DGCDLO Cc1cc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c[nH+]1 ZINC000775698191 623316310 /nfs/dbraw/zinc/31/63/10/623316310.db2.gz UDZFFUGWCWSRHK-CQSZACIVSA-N 1 2 312.417 3.069 20 10 DGCDLO CC(C)CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775737717 623321936 /nfs/dbraw/zinc/32/19/36/623321936.db2.gz KCJHWDJFKPMDLO-ZDUSSCGKSA-N 1 2 301.789 3.432 20 10 DGCDLO CC(C)CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775737717 623321942 /nfs/dbraw/zinc/32/19/42/623321942.db2.gz KCJHWDJFKPMDLO-ZDUSSCGKSA-N 1 2 301.789 3.432 20 10 DGCDLO CCO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775832773 623338701 /nfs/dbraw/zinc/33/87/01/623338701.db2.gz BOZMGXXTDFMTIV-OLZOCXBDSA-N 1 2 318.421 3.084 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000776165778 623387091 /nfs/dbraw/zinc/38/70/91/623387091.db2.gz WNFCZHOLZHNLFM-UHFFFAOYSA-N 1 2 319.714 3.094 20 10 DGCDLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1ccc(N(C)C)cc1 ZINC000777574058 623543453 /nfs/dbraw/zinc/54/34/53/623543453.db2.gz FSLGHETYPKCDKK-CQSZACIVSA-N 1 2 321.428 3.389 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2O)cc1OC ZINC000876535997 623637174 /nfs/dbraw/zinc/63/71/74/623637174.db2.gz SPSLUTKVHHXRNQ-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2O)cc1OC ZINC000876535997 623637177 /nfs/dbraw/zinc/63/71/77/623637177.db2.gz SPSLUTKVHHXRNQ-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO Cc1ccccc1CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778994926 623718183 /nfs/dbraw/zinc/71/81/83/623718183.db2.gz LJCJONMQQNCPRX-UHFFFAOYSA-N 1 2 314.404 3.158 20 10 DGCDLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1cc(F)ccc1O ZINC000778999596 623719433 /nfs/dbraw/zinc/71/94/33/623719433.db2.gz IHWMTHATKYZAOR-UHFFFAOYSA-N 1 2 311.360 3.349 20 10 DGCDLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1cc(F)ccc1O ZINC000778999596 623719438 /nfs/dbraw/zinc/71/94/38/623719438.db2.gz IHWMTHATKYZAOR-UHFFFAOYSA-N 1 2 311.360 3.349 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1F ZINC000779148219 623735127 /nfs/dbraw/zinc/73/51/27/623735127.db2.gz GYBCNLOWEXVILV-CABZTGNLSA-N 1 2 302.187 3.335 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C[C@@H]1F ZINC000779148219 623735133 /nfs/dbraw/zinc/73/51/33/623735133.db2.gz GYBCNLOWEXVILV-CABZTGNLSA-N 1 2 302.187 3.335 20 10 DGCDLO Cc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)c(C)[nH+]1 ZINC000877116290 623794079 /nfs/dbraw/zinc/79/40/79/623794079.db2.gz VRPUOQMDIITDCK-UHFFFAOYSA-N 1 2 311.429 3.272 20 10 DGCDLO Oc1c(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)ccc(F)c1F ZINC000877636507 623972350 /nfs/dbraw/zinc/97/23/50/623972350.db2.gz ZEWCEQOEEWILEO-UHFFFAOYSA-N 1 2 309.356 3.061 20 10 DGCDLO Oc1c(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)ccc(F)c1F ZINC000877636507 623972353 /nfs/dbraw/zinc/97/23/53/623972353.db2.gz ZEWCEQOEEWILEO-UHFFFAOYSA-N 1 2 309.356 3.061 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645506 623976479 /nfs/dbraw/zinc/97/64/79/623976479.db2.gz NJTBFSOUCOAMFE-HNNXBMFYSA-N 1 2 318.804 3.232 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645506 623976483 /nfs/dbraw/zinc/97/64/83/623976483.db2.gz NJTBFSOUCOAMFE-HNNXBMFYSA-N 1 2 318.804 3.232 20 10 DGCDLO COC(=O)c1oc(C[NH2+]Cc2cccc(Cl)c2O)cc1C ZINC000877693604 623993624 /nfs/dbraw/zinc/99/36/24/623993624.db2.gz LVFGCMIDKKBZJZ-UHFFFAOYSA-N 1 2 309.749 3.023 20 10 DGCDLO CN1Cc2ccccc2[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000877732449 624007893 /nfs/dbraw/zinc/00/78/93/624007893.db2.gz FTUGFHVQHLDBFB-INIZCTEOSA-N 1 2 302.805 3.322 20 10 DGCDLO C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@H]21 ZINC000877744636 624016976 /nfs/dbraw/zinc/01/69/76/624016976.db2.gz WFCGXPSRSSYFAC-IINYFYTJSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@H]21 ZINC000877744636 624016982 /nfs/dbraw/zinc/01/69/82/624016982.db2.gz WFCGXPSRSSYFAC-IINYFYTJSA-N 1 2 315.244 3.225 20 10 DGCDLO C[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@H]21 ZINC000877744636 624016987 /nfs/dbraw/zinc/01/69/87/624016987.db2.gz WFCGXPSRSSYFAC-IINYFYTJSA-N 1 2 315.244 3.225 20 10 DGCDLO C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@H]21 ZINC000877744636 624016990 /nfs/dbraw/zinc/01/69/90/624016990.db2.gz WFCGXPSRSSYFAC-IINYFYTJSA-N 1 2 315.244 3.225 20 10 DGCDLO O=c1[nH]c2c(cc1C[NH2+]Cc1cccc(Cl)c1O)CCCC2 ZINC000877780448 624033653 /nfs/dbraw/zinc/03/36/53/624033653.db2.gz RBMWIHGUDWRETL-UHFFFAOYSA-N 1 2 318.804 3.315 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCOCC2(C)C)c1 ZINC000781903062 624168080 /nfs/dbraw/zinc/16/80/80/624168080.db2.gz WUNNOZHDLCYQCR-UHFFFAOYSA-N 1 2 314.223 3.074 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCOCC2(C)C)c1 ZINC000781903062 624168081 /nfs/dbraw/zinc/16/80/81/624168081.db2.gz WUNNOZHDLCYQCR-UHFFFAOYSA-N 1 2 314.223 3.074 20 10 DGCDLO CC[C@@H]1COCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000781901092 624168137 /nfs/dbraw/zinc/16/81/37/624168137.db2.gz MAEQQYLOTQRCCM-GFCCVEGCSA-N 1 2 314.223 3.074 20 10 DGCDLO CC[C@@H]1COCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000781901092 624168138 /nfs/dbraw/zinc/16/81/38/624168138.db2.gz MAEQQYLOTQRCCM-GFCCVEGCSA-N 1 2 314.223 3.074 20 10 DGCDLO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C(=O)OC(C)(C)C)C2CC2)c1 ZINC000878360768 624256159 /nfs/dbraw/zinc/25/61/59/624256159.db2.gz RJPPGARLVXSVKC-MEDUHNTESA-N 1 2 321.417 3.172 20 10 DGCDLO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000790928613 625715601 /nfs/dbraw/zinc/71/56/01/625715601.db2.gz VVYKXYOKFFKWOD-CQSZACIVSA-N 1 2 314.832 3.395 20 10 DGCDLO Cc1ccc(NC(=O)N[C@H](C)c2ccccc2O)c(N(C)C)[nH+]1 ZINC000879001908 624405795 /nfs/dbraw/zinc/40/57/95/624405795.db2.gz MLXLNVUMTHWSOO-GFCCVEGCSA-N 1 2 314.389 3.044 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CCC[C@H]1C(=O)NC)c1cccc(Cl)c1O ZINC000806150155 624913386 /nfs/dbraw/zinc/91/33/86/624913386.db2.gz MHIZBAIZENNQKA-XBFCOCLRSA-N 1 2 310.825 3.001 20 10 DGCDLO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000786574819 624924163 /nfs/dbraw/zinc/92/41/63/624924163.db2.gz GHFLOTRIPIAMNS-SWLSCSKDSA-N 1 2 321.367 3.233 20 10 DGCDLO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000786583252 624926176 /nfs/dbraw/zinc/92/61/76/624926176.db2.gz QBQUBEUZUOQOMZ-DOMZBBRYSA-N 1 2 321.367 3.233 20 10 DGCDLO C[C@H](O)CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000788603778 625225022 /nfs/dbraw/zinc/22/50/22/625225022.db2.gz DRZCYNAUPRZOPQ-IUCAKERBSA-N 1 2 320.202 3.105 20 10 DGCDLO CCC[NH+]1CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000790946602 625720619 /nfs/dbraw/zinc/72/06/19/625720619.db2.gz FDHIVVJGFUIOAD-UHFFFAOYSA-N 1 2 300.805 3.149 20 10 DGCDLO CC(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nc(C2CC2)no1 ZINC000882997570 625891460 /nfs/dbraw/zinc/89/14/60/625891460.db2.gz VIVQSJUJVUWWJP-CYBMUJFWSA-N 1 2 323.343 3.418 20 10 DGCDLO Cc1ccc(C[N@H+](CCO)Cc2c(O)ccc(Cl)c2F)cc1 ZINC000792174680 625921006 /nfs/dbraw/zinc/92/10/06/625921006.db2.gz YZOJJCUUYORLPP-UHFFFAOYSA-N 1 2 323.795 3.488 20 10 DGCDLO Cc1ccc(C[N@@H+](CCO)Cc2c(O)ccc(Cl)c2F)cc1 ZINC000792174680 625921010 /nfs/dbraw/zinc/92/10/10/625921010.db2.gz YZOJJCUUYORLPP-UHFFFAOYSA-N 1 2 323.795 3.488 20 10 DGCDLO CCCCN(Cc1ccccc1O)C(=O)CCCn1cc[nH+]c1 ZINC000801544785 626409335 /nfs/dbraw/zinc/40/93/35/626409335.db2.gz APVOIOUDZGTENA-UHFFFAOYSA-N 1 2 315.417 3.198 20 10 DGCDLO C[C@H]([NH2+]C1(c2ncccn2)CCC1)c1cc(F)cc(F)c1O ZINC000883312055 626642284 /nfs/dbraw/zinc/64/22/84/626642284.db2.gz SEOUAYOMPMHDQW-JTQLQIEISA-N 1 2 305.328 3.190 20 10 DGCDLO CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(Cl)c1O ZINC000883395906 626671829 /nfs/dbraw/zinc/67/18/29/626671829.db2.gz DTLDHCJUMLVPBZ-IUODEOHRSA-N 1 2 322.836 3.097 20 10 DGCDLO CC[C@@H]([NH2+]C[C@@H](O)COCC(C)C)c1cccc(Cl)c1O ZINC000806133458 626701216 /nfs/dbraw/zinc/70/12/16/626701216.db2.gz NOLQMTUPXGJXKK-IUODEOHRSA-N 1 2 315.841 3.120 20 10 DGCDLO CC[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cccc(Cl)c1O ZINC000806139911 626701893 /nfs/dbraw/zinc/70/18/93/626701893.db2.gz SHJBMRTVBSBTEF-IUODEOHRSA-N 1 2 313.825 3.282 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)NC)c1cccc(Cl)c1O ZINC000806150152 626702280 /nfs/dbraw/zinc/70/22/80/626702280.db2.gz MHIZBAIZENNQKA-FPMFFAJLSA-N 1 2 310.825 3.001 20 10 DGCDLO COCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000134906333 626891635 /nfs/dbraw/zinc/89/16/35/626891635.db2.gz RGTPNAQZPQZVPW-SSDOTTSWSA-N 1 2 308.603 3.105 20 10 DGCDLO CC[C@@H]([NH2+]CC(F)(F)CO)c1ccc(C(F)(F)F)cc1O ZINC000810237794 626991481 /nfs/dbraw/zinc/99/14/81/626991481.db2.gz WGSXFZFHQGEQJN-SNVBAGLBSA-N 1 2 313.266 3.079 20 10 DGCDLO CC[C@H]([NH2+]CC(F)(F)CO)c1ccc(C(F)(F)F)cc1O ZINC000810237793 626991536 /nfs/dbraw/zinc/99/15/36/626991536.db2.gz WGSXFZFHQGEQJN-JTQLQIEISA-N 1 2 313.266 3.079 20 10 DGCDLO C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1c(O)cccc1F ZINC000886522244 627155994 /nfs/dbraw/zinc/15/59/94/627155994.db2.gz FSRQCSJVPMHBDN-VIFPVBQESA-N 1 2 317.286 3.141 20 10 DGCDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2c(O)cccc2F)s1 ZINC000886629540 627176773 /nfs/dbraw/zinc/17/67/73/627176773.db2.gz HRWDXTVXBZMKQD-RKDXNWHRSA-N 1 2 324.377 3.186 20 10 DGCDLO Oc1cccc(Cl)c1C[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000811509018 627284504 /nfs/dbraw/zinc/28/45/04/627284504.db2.gz IYZPKQBZYOKDCE-UHFFFAOYSA-N 1 2 324.207 3.402 20 10 DGCDLO CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000811519121 627287156 /nfs/dbraw/zinc/28/71/56/627287156.db2.gz UFSQQQHBSJKRDA-CQSZACIVSA-N 1 2 301.789 3.071 20 10 DGCDLO c1ccc(CN2CCc3cc(C[N@@H+]4CCO[C@@H]5C[C@@H]54)ccc32)cc1 ZINC000814172208 627546746 /nfs/dbraw/zinc/54/67/46/627546746.db2.gz CQDPRYGLZZTRJE-LEWJYISDSA-N 1 2 320.436 3.222 20 10 DGCDLO c1ccc(CN2CCc3cc(C[N@H+]4CCO[C@@H]5C[C@@H]54)ccc32)cc1 ZINC000814172208 627546748 /nfs/dbraw/zinc/54/67/48/627546748.db2.gz CQDPRYGLZZTRJE-LEWJYISDSA-N 1 2 320.436 3.222 20 10 DGCDLO CCN(C)c1ccc(C[NH2+][C@](C)(c2noc(C)n2)C2CC2)cc1 ZINC000815123892 627631676 /nfs/dbraw/zinc/63/16/76/627631676.db2.gz JUFUDIADXVFOIW-SFHVURJKSA-N 1 2 314.433 3.249 20 10 DGCDLO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nnc2ccccn21 ZINC000816530434 627803587 /nfs/dbraw/zinc/80/35/87/627803587.db2.gz ICZSIVOLGZVDSQ-VIFPVBQESA-N 1 2 320.755 3.078 20 10 DGCDLO CC(C)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CCCC1 ZINC000816534266 627803609 /nfs/dbraw/zinc/80/36/09/627803609.db2.gz CPNCOPDBCJUQLG-OAHLLOKOSA-N 1 2 314.832 3.395 20 10 DGCDLO C[C@@H]([NH2+]CCCNCc1cccnc1)c1cc(Cl)ccc1O ZINC000817941310 627969067 /nfs/dbraw/zinc/96/90/67/627969067.db2.gz RZPURIDVKJTJFP-CYBMUJFWSA-N 1 2 319.836 3.271 20 10 DGCDLO C[N@H+](Cc1c(O)ccc(Cl)c1F)[C@H](CO)c1ccccc1 ZINC000824696393 628684922 /nfs/dbraw/zinc/68/49/22/628684922.db2.gz MHCNTZVTEBXXHB-CQSZACIVSA-N 1 2 309.768 3.350 20 10 DGCDLO C[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@H](CO)c1ccccc1 ZINC000824696393 628684923 /nfs/dbraw/zinc/68/49/23/628684923.db2.gz MHCNTZVTEBXXHB-CQSZACIVSA-N 1 2 309.768 3.350 20 10 DGCDLO Cc1cccc(C[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)c1O ZINC000825045689 628720737 /nfs/dbraw/zinc/72/07/37/628720737.db2.gz JKAJRYJYJBQGCN-KRWDZBQOSA-N 1 2 301.361 3.413 20 10 DGCDLO Cc1cccc(C[N@H+]2CCOC[C@H]2c2ccc(F)cc2)c1O ZINC000825045689 628720738 /nfs/dbraw/zinc/72/07/38/628720738.db2.gz JKAJRYJYJBQGCN-KRWDZBQOSA-N 1 2 301.361 3.413 20 10 DGCDLO Cc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)c1 ZINC000825046365 628720826 /nfs/dbraw/zinc/72/08/26/628720826.db2.gz SIKDOSWWZSMERF-QGZVFWFLSA-N 1 2 301.361 3.413 20 10 DGCDLO Cc1ccc(O)c(C[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)c1 ZINC000825046365 628720828 /nfs/dbraw/zinc/72/08/28/628720828.db2.gz SIKDOSWWZSMERF-QGZVFWFLSA-N 1 2 301.361 3.413 20 10 DGCDLO CC[C@@H](COCC1CC1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000826866835 628897610 /nfs/dbraw/zinc/89/76/10/628897610.db2.gz FPFSHFJPDBAKEJ-ZDUSSCGKSA-N 1 2 301.789 3.480 20 10 DGCDLO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cccc(Cl)c2O)cn1 ZINC000827322059 628949258 /nfs/dbraw/zinc/94/92/58/628949258.db2.gz STIHDXIJTCFBJL-XJKSGUPXSA-N 1 2 319.836 3.280 20 10 DGCDLO Cc1cc(C[N@@H+]2CCO[C@H](C(F)F)C2)ccc1N1CCCCC1 ZINC000829506379 629163895 /nfs/dbraw/zinc/16/38/95/629163895.db2.gz UHRXPQJXHRZVOB-KRWDZBQOSA-N 1 2 324.415 3.451 20 10 DGCDLO Cc1cc(C[N@H+]2CCO[C@H](C(F)F)C2)ccc1N1CCCCC1 ZINC000829506379 629163897 /nfs/dbraw/zinc/16/38/97/629163897.db2.gz UHRXPQJXHRZVOB-KRWDZBQOSA-N 1 2 324.415 3.451 20 10 DGCDLO CC1(C)C[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000835058710 629839421 /nfs/dbraw/zinc/83/94/21/629839421.db2.gz BNQICZFCXFXOFH-JTQLQIEISA-N 1 2 301.789 3.480 20 10 DGCDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)s1 ZINC000840721736 630352293 /nfs/dbraw/zinc/35/22/93/630352293.db2.gz WJXPCSQDIYGIOJ-LLVKDONJSA-N 1 2 320.414 3.098 20 10 DGCDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000840958736 630386232 /nfs/dbraw/zinc/38/62/32/630386232.db2.gz RQCATWYLMLXVDW-NSHDSACASA-N 1 2 309.381 3.226 20 10 DGCDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000840958736 630386236 /nfs/dbraw/zinc/38/62/36/630386236.db2.gz RQCATWYLMLXVDW-NSHDSACASA-N 1 2 309.381 3.226 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2csnn2)cc1F ZINC000840969803 630388930 /nfs/dbraw/zinc/38/89/30/630388930.db2.gz KHVQTQZBPMTQBK-NSHDSACASA-N 1 2 308.426 3.374 20 10 DGCDLO Oc1cccc(Cl)c1CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000841067313 630403893 /nfs/dbraw/zinc/40/38/93/630403893.db2.gz ASPKLALQUFOQGF-INIZCTEOSA-N 1 2 302.805 3.022 20 10 DGCDLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccc(Cl)cc1O ZINC000841749374 630461829 /nfs/dbraw/zinc/46/18/29/630461829.db2.gz DLRKBVAZNQGZTJ-LLVKDONJSA-N 1 2 321.808 3.042 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Br)cc(F)c1O ZINC000842928901 630594551 /nfs/dbraw/zinc/59/45/51/630594551.db2.gz KYZDMPUVNATART-MRTMQBJTSA-N 1 2 318.186 3.122 20 10 DGCDLO C[C@H](O)[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1F ZINC000846017769 631206379 /nfs/dbraw/zinc/20/63/79/631206379.db2.gz PVDXCXIJOOMNQU-ZUZCIYMTSA-N 1 2 309.768 3.396 20 10 DGCDLO CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cccc(Cl)c1O ZINC000848574323 631700398 /nfs/dbraw/zinc/70/03/98/631700398.db2.gz RTWRPKBDGUCXDE-RISCZKNCSA-N 1 2 324.808 3.070 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848927255 631791438 /nfs/dbraw/zinc/79/14/38/631791438.db2.gz DHYZRIGEKSNBJK-HUUCEWRRSA-N 1 2 312.816 3.291 20 10 DGCDLO CC(C)(C)N1CC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000850351932 632121760 /nfs/dbraw/zinc/12/17/60/632121760.db2.gz XISIXWGMWZLNSP-SNVBAGLBSA-N 1 2 300.805 3.147 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)[C@H](C)CO1 ZINC000707143452 660887978 /nfs/dbraw/zinc/88/79/78/660887978.db2.gz SHQUEZHEJBJJKV-GHMZBOCLSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)[C@H](C)CO1 ZINC000707143452 660887979 /nfs/dbraw/zinc/88/79/79/660887979.db2.gz SHQUEZHEJBJJKV-GHMZBOCLSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792789112 660984894 /nfs/dbraw/zinc/98/48/94/660984894.db2.gz UYOHZQIRBUOFFN-CYBMUJFWSA-N 1 2 316.367 3.382 20 10 DGCDLO CC[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792789112 660984896 /nfs/dbraw/zinc/98/48/96/660984896.db2.gz UYOHZQIRBUOFFN-CYBMUJFWSA-N 1 2 316.367 3.382 20 10 DGCDLO C[C@H]1OCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H]1C ZINC000792822271 660986584 /nfs/dbraw/zinc/98/65/84/660986584.db2.gz JNLWGFJDSIMINB-NWDGAFQWSA-N 1 2 316.367 3.381 20 10 DGCDLO C[C@H]1OCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H]1C ZINC000792822271 660986585 /nfs/dbraw/zinc/98/65/85/660986585.db2.gz JNLWGFJDSIMINB-NWDGAFQWSA-N 1 2 316.367 3.381 20 10 DGCDLO COCCC1([NH2+]Cc2cccc(Br)c2O)CCC1 ZINC000793330391 661025175 /nfs/dbraw/zinc/02/51/75/661025175.db2.gz XUJYGPILKHJURA-UHFFFAOYSA-N 1 2 314.223 3.204 20 10 DGCDLO OCC[C@@H]1CCCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000793609150 661049428 /nfs/dbraw/zinc/04/94/28/661049428.db2.gz OSHOKYTVYVLGOR-ZDUSSCGKSA-N 1 2 301.789 3.312 20 10 DGCDLO OCC[C@@H]1CCCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000793609150 661049430 /nfs/dbraw/zinc/04/94/30/661049430.db2.gz OSHOKYTVYVLGOR-ZDUSSCGKSA-N 1 2 301.789 3.312 20 10 DGCDLO CN(C)c1ccc(CNc2cc[nH+]cc2F)c(C(F)(F)F)c1 ZINC000794943721 661115633 /nfs/dbraw/zinc/11/56/33/661115633.db2.gz OATVDISMVSTLEI-UHFFFAOYSA-N 1 2 313.298 3.340 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000795063295 661125094 /nfs/dbraw/zinc/12/50/94/661125094.db2.gz BYENFSUDGKSDNM-CQSZACIVSA-N 1 2 316.367 3.294 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)cc1 ZINC000795063295 661125095 /nfs/dbraw/zinc/12/50/95/661125095.db2.gz BYENFSUDGKSDNM-CQSZACIVSA-N 1 2 316.367 3.294 20 10 DGCDLO Cc1nc(C2([NH2+]Cc3ccc(N(C)C)cc3)CCCC2)no1 ZINC000161366423 655789549 /nfs/dbraw/zinc/78/95/49/655789549.db2.gz WNOLQJHTGDZJLJ-UHFFFAOYSA-N 1 2 300.406 3.003 20 10 DGCDLO CC(F)(F)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715804691 661215047 /nfs/dbraw/zinc/21/50/47/661215047.db2.gz RAKSNQGQMWJWNZ-UHFFFAOYSA-N 1 2 312.129 3.429 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1nc(C(C)(C)C)no1 ZINC000237443631 658395544 /nfs/dbraw/zinc/39/55/44/658395544.db2.gz HSBHMBMBRYOOIJ-LLVKDONJSA-N 1 2 301.390 3.153 20 10 DGCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000045094642 658942872 /nfs/dbraw/zinc/94/28/72/658942872.db2.gz JCBFIIDJMBAOAV-UHFFFAOYSA-N 1 2 314.216 3.466 20 10 DGCDLO CCC[C@H](CCO)C[NH2+]Cc1cccc(Br)c1O ZINC000231386895 659380669 /nfs/dbraw/zinc/38/06/69/659380669.db2.gz WXQPCFRUMSYZAZ-LLVKDONJSA-N 1 2 316.239 3.043 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1ccccc1)Cc1cccc(C)c1O ZINC000179666734 659937858 /nfs/dbraw/zinc/93/78/58/659937858.db2.gz IYKYNLZAQQDARE-UHFFFAOYSA-N 1 2 313.397 3.266 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1ccccc1)Cc1cccc(C)c1O ZINC000179666734 659937859 /nfs/dbraw/zinc/93/78/59/659937859.db2.gz IYKYNLZAQQDARE-UHFFFAOYSA-N 1 2 313.397 3.266 20 10 DGCDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(CCC(C)C)no2)c1 ZINC000182367805 660048204 /nfs/dbraw/zinc/04/82/04/660048204.db2.gz DOJDCKBTJNQAPI-GFCCVEGCSA-N 1 2 319.405 3.223 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000092975472 662342490 /nfs/dbraw/zinc/34/24/90/662342490.db2.gz WJFXPQYKYIQVOE-LJQANCHMSA-N 1 2 314.404 3.465 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000092975472 662342492 /nfs/dbraw/zinc/34/24/92/662342492.db2.gz WJFXPQYKYIQVOE-LJQANCHMSA-N 1 2 314.404 3.465 20 10 DGCDLO COCCC(C)(C)[NH2+]Cc1cccc(Br)c1O ZINC000397930342 685232838 /nfs/dbraw/zinc/23/28/38/685232838.db2.gz UKXNIXMOXKXQMZ-UHFFFAOYSA-N 1 2 302.212 3.059 20 10 DGCDLO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O)c1ccsc1 ZINC001589952357 1192478275 /nfs/dbraw/zinc/47/82/75/1192478275.db2.gz NNQAIDJNEPMGTL-NXEZZACHSA-N 1 2 315.402 3.046 20 10 DGCDLO Cc1ccc(N2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)cc1 ZINC001461993883 1182891639 /nfs/dbraw/zinc/89/16/39/1182891639.db2.gz WVXIEYXVFINOGJ-UHFFFAOYSA-N 1 2 318.367 3.301 20 10 DGCDLO CCc1cccc(C[NH2+][C@@H](CC(C)C)C(=O)OC(C)C)c1O ZINC001462122619 1182911365 /nfs/dbraw/zinc/91/13/65/1182911365.db2.gz FJJWHYILNNUOAZ-INIZCTEOSA-N 1 2 307.434 3.411 20 10 DGCDLO OC[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(F)cc1F ZINC001474639925 1183954535 /nfs/dbraw/zinc/95/45/35/1183954535.db2.gz SRQFSMHXWOUVQZ-CQSZACIVSA-N 1 2 313.731 3.147 20 10 DGCDLO COC(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(C)(C)C ZINC001474725807 1183969293 /nfs/dbraw/zinc/96/92/93/1183969293.db2.gz MXFZNKHYBIKCOI-GFCCVEGCSA-N 1 2 317.788 3.252 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cn2ccccc2n1 ZINC001560251636 1189299516 /nfs/dbraw/zinc/29/95/16/1189299516.db2.gz XNYVRLKIVAUOPG-UHFFFAOYSA-N 1 2 305.740 3.122 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1nccn1C(F)F ZINC001560295159 1189307466 /nfs/dbraw/zinc/30/74/66/1189307466.db2.gz ODKVFRYEFRJCBM-UHFFFAOYSA-N 1 2 305.687 3.066 20 10 DGCDLO COc1ccnc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1F ZINC001560536963 1189337393 /nfs/dbraw/zinc/33/73/93/1189337393.db2.gz FADVRROQISAHEL-UHFFFAOYSA-N 1 2 314.719 3.017 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@H](CC)CO1 ZINC001560919315 1189405813 /nfs/dbraw/zinc/40/58/13/1189405813.db2.gz AJVVBQQREWRBDE-ZIAGYGMSSA-N 1 2 312.404 3.420 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)[C@H](CC)CO1 ZINC001560919315 1189405814 /nfs/dbraw/zinc/40/58/14/1189405814.db2.gz AJVVBQQREWRBDE-ZIAGYGMSSA-N 1 2 312.404 3.420 20 10 DGCDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@](C)(C(F)F)O1 ZINC001560938363 1189408624 /nfs/dbraw/zinc/40/86/24/1189408624.db2.gz CLYPNVZPGQAPQU-LKFCYVNXSA-N 1 2 305.752 3.290 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@](C)(C(F)F)O1 ZINC001560938363 1189408628 /nfs/dbraw/zinc/40/86/28/1189408628.db2.gz CLYPNVZPGQAPQU-LKFCYVNXSA-N 1 2 305.752 3.290 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC001561006530 1189419573 /nfs/dbraw/zinc/41/95/73/1189419573.db2.gz UDWATOLFISJLNI-XJKSGUPXSA-N 1 2 309.287 3.232 20 10 DGCDLO COc1ccccc1-n1nccc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC001621491093 1193849207 /nfs/dbraw/zinc/84/92/07/1193849207.db2.gz WSIVMKMCIUKVJX-UHFFFAOYSA-N 1 2 321.380 3.102 20 10 DGCDLO COc1ccccc1-n1nccc1C[N@H+]1Cc2cccc(O)c2C1 ZINC001621491093 1193849208 /nfs/dbraw/zinc/84/92/08/1193849208.db2.gz WSIVMKMCIUKVJX-UHFFFAOYSA-N 1 2 321.380 3.102 20 10 DGCDLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1O ZINC001635793925 1194572797 /nfs/dbraw/zinc/57/27/97/1194572797.db2.gz NZQUJFOKULDGRV-CQSZACIVSA-N 1 2 321.380 3.128 20 10 DGCDLO Oc1c(C[NH+]2CC(Cc3ccc(F)cc3)C2)ccc(F)c1F ZINC001647050631 1195244403 /nfs/dbraw/zinc/24/44/03/1195244403.db2.gz PQPNKHSKMSOMSU-UHFFFAOYSA-N 1 2 307.315 3.484 20 10 DGCDLO C[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1c(F)cncc1F ZINC001652430118 1195596887 /nfs/dbraw/zinc/59/68/87/1195596887.db2.gz PBNVUQJZTOEYPA-ZETCQYMHSA-N 1 2 300.255 3.194 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC001657297101 1196128065 /nfs/dbraw/zinc/12/80/65/1196128065.db2.gz KOJGXTVSWXXGBY-CQSZACIVSA-N 1 2 303.324 3.279 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC001657297101 1196128067 /nfs/dbraw/zinc/12/80/67/1196128067.db2.gz KOJGXTVSWXXGBY-CQSZACIVSA-N 1 2 303.324 3.279 20 10 DGCDLO CC(C)C[C@@H](CN1CCCC1)[NH2+]Cc1cc(F)cc(F)c1O ZINC001657413412 1196139369 /nfs/dbraw/zinc/13/93/69/1196139369.db2.gz NIVYHKHYERZCEB-HNNXBMFYSA-N 1 2 312.404 3.271 20 10 DGCDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001659039969 1196335657 /nfs/dbraw/zinc/33/56/57/1196335657.db2.gz GKTPWDJPGGSMOW-HNNXBMFYSA-N 1 2 307.344 3.131 20 10 DGCDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001659039969 1196335664 /nfs/dbraw/zinc/33/56/64/1196335664.db2.gz GKTPWDJPGGSMOW-HNNXBMFYSA-N 1 2 307.344 3.131 20 10 DGCDLO CCC[N@H+](Cc1ccc(F)c(F)c1O)[C@@H](CC)C(=O)OCC ZINC001659442732 1196383418 /nfs/dbraw/zinc/38/34/18/1196383418.db2.gz COKVEOPJJSOFFX-ZDUSSCGKSA-N 1 2 315.360 3.224 20 10 DGCDLO CCC[N@@H+](Cc1ccc(F)c(F)c1O)[C@@H](CC)C(=O)OCC ZINC001659442732 1196383421 /nfs/dbraw/zinc/38/34/21/1196383421.db2.gz COKVEOPJJSOFFX-ZDUSSCGKSA-N 1 2 315.360 3.224 20 10 DGCDLO CCC[N@H+](Cc1ccc(F)c(F)c1O)[C@H](CC)C(=O)OCC ZINC001659442730 1196383888 /nfs/dbraw/zinc/38/38/88/1196383888.db2.gz COKVEOPJJSOFFX-CYBMUJFWSA-N 1 2 315.360 3.224 20 10 DGCDLO CCC[N@@H+](Cc1ccc(F)c(F)c1O)[C@H](CC)C(=O)OCC ZINC001659442730 1196383890 /nfs/dbraw/zinc/38/38/90/1196383890.db2.gz COKVEOPJJSOFFX-CYBMUJFWSA-N 1 2 315.360 3.224 20 10 DGCDLO CCOC(=O)[C@H](C)[N@H+](Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC001659477222 1196387651 /nfs/dbraw/zinc/38/76/51/1196387651.db2.gz PTPRABWSMRUBPX-NSHDSACASA-N 1 2 311.809 3.270 20 10 DGCDLO CCOC(=O)[C@H](C)[N@@H+](Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC001659477222 1196387654 /nfs/dbraw/zinc/38/76/54/1196387654.db2.gz PTPRABWSMRUBPX-NSHDSACASA-N 1 2 311.809 3.270 20 10 DGCDLO C[C@H]1CCC[N@H+](Cc2cccc(F)c2O)[C@@H]1C(=O)OC(C)(C)C ZINC001660080420 1196443456 /nfs/dbraw/zinc/44/34/56/1196443456.db2.gz GCQCTUKCFXFJKT-WFASDCNBSA-N 1 2 323.408 3.474 20 10 DGCDLO C[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)[C@@H]1C(=O)OC(C)(C)C ZINC001660080420 1196443458 /nfs/dbraw/zinc/44/34/58/1196443458.db2.gz GCQCTUKCFXFJKT-WFASDCNBSA-N 1 2 323.408 3.474 20 10 DGCDLO Cc1cccc(OCC[N@@H+](C)Cc2ccc(F)c(F)c2O)c1 ZINC001663850688 1196951416 /nfs/dbraw/zinc/95/14/16/1196951416.db2.gz NOEXLGAHWFXDBW-UHFFFAOYSA-N 1 2 307.340 3.490 20 10 DGCDLO Cc1cccc(OCC[N@H+](C)Cc2ccc(F)c(F)c2O)c1 ZINC001663850688 1196951418 /nfs/dbraw/zinc/95/14/18/1196951418.db2.gz NOEXLGAHWFXDBW-UHFFFAOYSA-N 1 2 307.340 3.490 20 10 DGCDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1c(O)cccc1F ZINC001665713110 1197180096 /nfs/dbraw/zinc/18/00/96/1197180096.db2.gz XFWXUEYJRVMXFJ-UHFFFAOYSA-N 1 2 310.712 3.383 20 10 DGCDLO CC1(C)OCC[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000693067611 1081904397 /nfs/dbraw/zinc/90/43/97/1081904397.db2.gz XFQVOUSOCPKXLG-NSHDSACASA-N 1 2 314.223 3.059 20 10 DGCDLO C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001648914138 1082335389 /nfs/dbraw/zinc/33/53/89/1082335389.db2.gz PVUGWYILPCLHCI-NWDGAFQWSA-N 1 2 314.832 3.395 20 10 DGCDLO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](F)C2)c1O ZINC000689909020 1083456061 /nfs/dbraw/zinc/45/60/61/1083456061.db2.gz ZVQBMHCYEHKUHG-GFCCVEGCSA-N 1 2 302.187 3.397 20 10 DGCDLO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](F)C2)c1O ZINC000689909020 1083456067 /nfs/dbraw/zinc/45/60/67/1083456067.db2.gz ZVQBMHCYEHKUHG-GFCCVEGCSA-N 1 2 302.187 3.397 20 10 DGCDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2O)n1 ZINC001181648000 1083505543 /nfs/dbraw/zinc/50/55/43/1083505543.db2.gz YREVADUVOHZYGL-ZDUSSCGKSA-N 1 2 307.781 3.464 20 10 DGCDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2O)n1 ZINC001181648000 1083505551 /nfs/dbraw/zinc/50/55/51/1083505551.db2.gz YREVADUVOHZYGL-ZDUSSCGKSA-N 1 2 307.781 3.464 20 10 DGCDLO CCc1cc(N[C@H](C)c2cc(OC)ccc2O)nc(CC)[nH+]1 ZINC001185291046 1084405943 /nfs/dbraw/zinc/40/59/43/1084405943.db2.gz RXRHAHXRFGTVBX-LLVKDONJSA-N 1 2 301.390 3.489 20 10 DGCDLO C[N@@H+]1CCN(Cc2cc(F)c(F)cc2O)C[C@H]1c1ccccc1 ZINC001142520737 1087276495 /nfs/dbraw/zinc/27/64/95/1087276495.db2.gz OVBCYTZLEPSKFT-KRWDZBQOSA-N 1 2 318.367 3.159 20 10 DGCDLO C[N@H+]1CCN(Cc2cc(F)c(F)cc2O)C[C@H]1c1ccccc1 ZINC001142520737 1087276504 /nfs/dbraw/zinc/27/65/04/1087276504.db2.gz OVBCYTZLEPSKFT-KRWDZBQOSA-N 1 2 318.367 3.159 20 10 DGCDLO CN1CC[N@H+](Cc2cc(F)c(F)cc2O)C[C@H]1c1ccccc1 ZINC001142520737 1087276509 /nfs/dbraw/zinc/27/65/09/1087276509.db2.gz OVBCYTZLEPSKFT-KRWDZBQOSA-N 1 2 318.367 3.159 20 10 DGCDLO CN1CC[N@@H+](Cc2cc(F)c(F)cc2O)C[C@H]1c1ccccc1 ZINC001142520737 1087276511 /nfs/dbraw/zinc/27/65/11/1087276511.db2.gz OVBCYTZLEPSKFT-KRWDZBQOSA-N 1 2 318.367 3.159 20 10 DGCDLO Oc1ccccc1CN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001203562355 1090758060 /nfs/dbraw/zinc/75/80/60/1090758060.db2.gz JCHPSXJEUXHMQF-INIZCTEOSA-N 1 2 310.388 3.088 20 10 DGCDLO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]21 ZINC001203584750 1090761333 /nfs/dbraw/zinc/76/13/33/1090761333.db2.gz FCZIBAAXQAJMAT-QMTHXVAHSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@H+]1CCC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]21 ZINC001203584750 1090761340 /nfs/dbraw/zinc/76/13/40/1090761340.db2.gz FCZIBAAXQAJMAT-QMTHXVAHSA-N 1 2 315.244 3.225 20 10 DGCDLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC001203645490 1090772921 /nfs/dbraw/zinc/77/29/21/1090772921.db2.gz KYXPKYJKTHLRAZ-ZDUSSCGKSA-N 1 2 312.207 3.098 20 10 DGCDLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC001203645490 1090772925 /nfs/dbraw/zinc/77/29/25/1090772925.db2.gz KYXPKYJKTHLRAZ-ZDUSSCGKSA-N 1 2 312.207 3.098 20 10 DGCDLO CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC001203663980 1090775290 /nfs/dbraw/zinc/77/52/90/1090775290.db2.gz JLRLLISPOWZYII-BXUZGUMPSA-N 1 2 311.809 3.209 20 10 DGCDLO CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC001203663980 1090775295 /nfs/dbraw/zinc/77/52/95/1090775295.db2.gz JLRLLISPOWZYII-BXUZGUMPSA-N 1 2 311.809 3.209 20 10 DGCDLO CC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc2c(c1)CCCN2C ZINC001138356980 1091152455 /nfs/dbraw/zinc/15/24/55/1091152455.db2.gz WYFRPOAHDPHGIE-UHFFFAOYSA-N 1 2 318.461 3.233 20 10 DGCDLO CC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc2c(c1)CCCN2C ZINC001138356980 1091152459 /nfs/dbraw/zinc/15/24/59/1091152459.db2.gz WYFRPOAHDPHGIE-UHFFFAOYSA-N 1 2 318.461 3.233 20 10 DGCDLO CCN(CC)c1ccc(C[NH+]2CC(OC(C)C)C2)c(OC)c1 ZINC001138392469 1091166168 /nfs/dbraw/zinc/16/61/68/1091166168.db2.gz WWBXYKOCLSWIBO-UHFFFAOYSA-N 1 2 306.450 3.151 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1ccnc(Br)c1)CC2 ZINC001138734562 1091307823 /nfs/dbraw/zinc/30/78/23/1091307823.db2.gz DPQPBILCTQPKMS-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1ccnc(Br)c1)CC2 ZINC001138734562 1091307833 /nfs/dbraw/zinc/30/78/33/1091307833.db2.gz DPQPBILCTQPKMS-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)CCc1ccccc1 ZINC001139126285 1091457416 /nfs/dbraw/zinc/45/74/16/1091457416.db2.gz DOMHKLDHIYGCHX-UHFFFAOYSA-N 1 2 323.392 3.482 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)CCc1ccccc1 ZINC001139126285 1091457422 /nfs/dbraw/zinc/45/74/22/1091457422.db2.gz DOMHKLDHIYGCHX-UHFFFAOYSA-N 1 2 323.392 3.482 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)C[C@H]1CC1(C)C ZINC001139130660 1091459366 /nfs/dbraw/zinc/45/93/66/1091459366.db2.gz GXWHAFMFFBSPFF-GFCCVEGCSA-N 1 2 301.386 3.285 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)C[C@H]1CC1(C)C ZINC001139130660 1091459374 /nfs/dbraw/zinc/45/93/74/1091459374.db2.gz GXWHAFMFFBSPFF-GFCCVEGCSA-N 1 2 301.386 3.285 20 10 DGCDLO C[C@]1(F)CC[N@H+](Cc2c(O)cccc2Br)C[C@H]1F ZINC001140098605 1091767774 /nfs/dbraw/zinc/76/77/74/1091767774.db2.gz HNOQUSOEDFXYBZ-OLZOCXBDSA-N 1 2 320.177 3.427 20 10 DGCDLO C[C@]1(F)CC[N@@H+](Cc2c(O)cccc2Br)C[C@H]1F ZINC001140098605 1091767784 /nfs/dbraw/zinc/76/77/84/1091767784.db2.gz HNOQUSOEDFXYBZ-OLZOCXBDSA-N 1 2 320.177 3.427 20 10 DGCDLO Oc1cc(Cl)ccc1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC001140462472 1091876526 /nfs/dbraw/zinc/87/65/26/1091876526.db2.gz GYECMBCADKIUMQ-UHFFFAOYSA-N 1 2 316.832 3.363 20 10 DGCDLO O=C1c2ccccc2[C@@H]2C[N@H+](Cc3c(O)cc(F)cc3F)C[C@H]12 ZINC001140583153 1091920198 /nfs/dbraw/zinc/92/01/98/1091920198.db2.gz XIHAABFVCFIQOW-KBPBESRZSA-N 1 2 315.319 3.082 20 10 DGCDLO O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@H]12 ZINC001140583153 1091920206 /nfs/dbraw/zinc/92/02/06/1091920206.db2.gz XIHAABFVCFIQOW-KBPBESRZSA-N 1 2 315.319 3.082 20 10 DGCDLO C[N@@H+](Cc1c(O)cc(F)cc1F)C[C@@H]1Cc2ccccc2O1 ZINC001140584676 1091920257 /nfs/dbraw/zinc/92/02/57/1091920257.db2.gz AXWBSTXNLPBSCS-ZDUSSCGKSA-N 1 2 305.324 3.106 20 10 DGCDLO C[N@H+](Cc1c(O)cc(F)cc1F)C[C@@H]1Cc2ccccc2O1 ZINC001140584676 1091920264 /nfs/dbraw/zinc/92/02/64/1091920264.db2.gz AXWBSTXNLPBSCS-ZDUSSCGKSA-N 1 2 305.324 3.106 20 10 DGCDLO Cc1ccc(O)c(C[N@H+]2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c1 ZINC001140623372 1091935190 /nfs/dbraw/zinc/93/51/90/1091935190.db2.gz MZBIBTYKDYPQDM-OAHLLOKOSA-N 1 2 306.406 3.099 20 10 DGCDLO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c1 ZINC001140623372 1091935196 /nfs/dbraw/zinc/93/51/96/1091935196.db2.gz MZBIBTYKDYPQDM-OAHLLOKOSA-N 1 2 306.406 3.099 20 10 DGCDLO Cc1cc(Cl)ncc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209634465 1092856762 /nfs/dbraw/zinc/85/67/62/1092856762.db2.gz SQGJPTGCNFEOTG-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO Cc1cc(Cl)ncc1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209634465 1092856769 /nfs/dbraw/zinc/85/67/69/1092856769.db2.gz SQGJPTGCNFEOTG-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)[C@@H](C)CO1 ZINC000403839923 1094187591 /nfs/dbraw/zinc/18/75/91/1094187591.db2.gz SGZROYZOKZFVJK-GXFFZTMASA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)[C@@H](C)CO1 ZINC000403839923 1094187594 /nfs/dbraw/zinc/18/75/94/1094187594.db2.gz SGZROYZOKZFVJK-GXFFZTMASA-N 1 2 314.223 3.154 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222421240 1095605906 /nfs/dbraw/zinc/60/59/06/1095605906.db2.gz KXHLZCOINUOOLE-OAHLLOKOSA-N 1 2 315.244 3.417 20 10 DGCDLO C[N@@H+]1CCN(Cc2c(O)cccc2F)C[C@@H]1c1ccccc1 ZINC001137837714 1095757771 /nfs/dbraw/zinc/75/77/71/1095757771.db2.gz RQCAPKTZZJZDDE-QGZVFWFLSA-N 1 2 300.377 3.020 20 10 DGCDLO C[N@H+]1CCN(Cc2c(O)cccc2F)C[C@@H]1c1ccccc1 ZINC001137837714 1095757785 /nfs/dbraw/zinc/75/77/85/1095757785.db2.gz RQCAPKTZZJZDDE-QGZVFWFLSA-N 1 2 300.377 3.020 20 10 DGCDLO CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2c(O)cccc2F)C1 ZINC001137840223 1095758745 /nfs/dbraw/zinc/75/87/45/1095758745.db2.gz TZTRATODCBWAHZ-UHFFFAOYSA-N 1 2 324.396 3.020 20 10 DGCDLO OC[C@@H]1CCC(F)(F)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231588301 1097785790 /nfs/dbraw/zinc/78/57/90/1097785790.db2.gz PAMOQIRXAPQLBN-ZDUSSCGKSA-N 1 2 307.340 3.137 20 10 DGCDLO OC[C@@H]1CCC(F)(F)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231588301 1097785793 /nfs/dbraw/zinc/78/57/93/1097785793.db2.gz PAMOQIRXAPQLBN-ZDUSSCGKSA-N 1 2 307.340 3.137 20 10 DGCDLO Cc1cccc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1O ZINC001231594499 1097787939 /nfs/dbraw/zinc/78/79/39/1097787939.db2.gz GRMJSJYUTJBIDN-HNNXBMFYSA-N 1 2 310.388 3.006 20 10 DGCDLO Cc1cccc(C[N@H+]2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c1O ZINC001231595073 1097788615 /nfs/dbraw/zinc/78/86/15/1097788615.db2.gz RQCFJVBPVKCNLZ-CQSZACIVSA-N 1 2 306.406 3.099 20 10 DGCDLO Cc1cccc(C[N@@H+]2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c1O ZINC001231595073 1097788618 /nfs/dbraw/zinc/78/86/18/1097788618.db2.gz RQCFJVBPVKCNLZ-CQSZACIVSA-N 1 2 306.406 3.099 20 10 DGCDLO COc1cccc2c1C[N@H+](Cc1ccc(N(C)C)cc1OC)C2 ZINC001231854992 1097865899 /nfs/dbraw/zinc/86/58/99/1097865899.db2.gz NNLZSHKDDMKEHW-UHFFFAOYSA-N 1 2 312.413 3.286 20 10 DGCDLO COc1cccc2c1C[N@@H+](Cc1ccc(N(C)C)cc1OC)C2 ZINC001231854992 1097865903 /nfs/dbraw/zinc/86/59/03/1097865903.db2.gz NNLZSHKDDMKEHW-UHFFFAOYSA-N 1 2 312.413 3.286 20 10 DGCDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231910148 1097889495 /nfs/dbraw/zinc/88/94/95/1097889495.db2.gz WHSCWBQOLFWVID-CQSZACIVSA-N 1 2 324.852 3.126 20 10 DGCDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231910148 1097889502 /nfs/dbraw/zinc/88/95/02/1097889502.db2.gz WHSCWBQOLFWVID-CQSZACIVSA-N 1 2 324.852 3.126 20 10 DGCDLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)C2)nc1 ZINC001231913255 1097889792 /nfs/dbraw/zinc/88/97/92/1097889792.db2.gz JVUQLOVHNLNLKE-CQSZACIVSA-N 1 2 318.804 3.402 20 10 DGCDLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)nc1 ZINC001231913255 1097889799 /nfs/dbraw/zinc/88/97/99/1097889799.db2.gz JVUQLOVHNLNLKE-CQSZACIVSA-N 1 2 318.804 3.402 20 10 DGCDLO Cc1cccc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC001231910144 1097890441 /nfs/dbraw/zinc/89/04/41/1097890441.db2.gz WCFNROPFBRSFPL-UHFFFAOYSA-N 1 2 317.820 3.071 20 10 DGCDLO Oc1cc(O)c(C[N@@H+]2CCc3cc(F)ccc3C2)cc1Cl ZINC001232263087 1097984274 /nfs/dbraw/zinc/98/42/74/1097984274.db2.gz GAKLXWZRJJNONZ-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Oc1cc(O)c(C[N@H+]2CCc3cc(F)ccc3C2)cc1Cl ZINC001232263087 1097984278 /nfs/dbraw/zinc/98/42/78/1097984278.db2.gz GAKLXWZRJJNONZ-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO C[C@@H]1C(=O)CC[N@H+](Cc2cc(Cl)c(O)cc2O)C12CCCC2 ZINC001232266488 1097987331 /nfs/dbraw/zinc/98/73/31/1097987331.db2.gz VDUOJQTYMQHVDN-LLVKDONJSA-N 1 2 323.820 3.475 20 10 DGCDLO C[C@@H]1C(=O)CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C12CCCC2 ZINC001232266488 1097987332 /nfs/dbraw/zinc/98/73/32/1097987332.db2.gz VDUOJQTYMQHVDN-LLVKDONJSA-N 1 2 323.820 3.475 20 10 DGCDLO C[N@@H+]1CCC=C(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001175576443 1098102096 /nfs/dbraw/zinc/10/20/96/1098102096.db2.gz KQRQISFZEWBPIN-UHFFFAOYSA-N 1 2 318.376 3.093 20 10 DGCDLO C[N@H+]1CCC=C(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC001175576443 1098102104 /nfs/dbraw/zinc/10/21/04/1098102104.db2.gz KQRQISFZEWBPIN-UHFFFAOYSA-N 1 2 318.376 3.093 20 10 DGCDLO Cc1ccccc1N1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC001233073941 1098219826 /nfs/dbraw/zinc/21/98/26/1098219826.db2.gz HEEWOKDQQAYDGJ-UHFFFAOYSA-N 1 2 318.367 3.301 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2C[C@H](F)C[C@H]2C)cc1Br ZINC001233135605 1098235386 /nfs/dbraw/zinc/23/53/86/1098235386.db2.gz WOIQMZUBRODDSB-PSASIEDQSA-N 1 2 318.186 3.096 20 10 DGCDLO COc1cc(O)c(C[N@H+]2C[C@H](F)C[C@H]2C)cc1Br ZINC001233135605 1098235391 /nfs/dbraw/zinc/23/53/91/1098235391.db2.gz WOIQMZUBRODDSB-PSASIEDQSA-N 1 2 318.186 3.096 20 10 DGCDLO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)c1 ZINC001233286598 1098275701 /nfs/dbraw/zinc/27/57/01/1098275701.db2.gz AKQDSUFJZQVBBF-AWEZNQCLSA-N 1 2 317.351 3.453 20 10 DGCDLO CC(C)(C)c1ccc(O)c(C[N@H+]2CCO[C@H](C(F)(F)F)C2)c1 ZINC001233286598 1098275705 /nfs/dbraw/zinc/27/57/05/1098275705.db2.gz AKQDSUFJZQVBBF-AWEZNQCLSA-N 1 2 317.351 3.453 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cn3c(cccc3Cl)n1)CC2 ZINC001233608982 1098388926 /nfs/dbraw/zinc/38/89/26/1098388926.db2.gz OHTULJOQKXLVBK-UHFFFAOYSA-N 1 2 313.788 3.252 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cn3c(cccc3Cl)n1)CC2 ZINC001233608982 1098388934 /nfs/dbraw/zinc/38/89/34/1098388934.db2.gz OHTULJOQKXLVBK-UHFFFAOYSA-N 1 2 313.788 3.252 20 10 DGCDLO Oc1c(C[N@@H+]2C[C@@H](F)C[C@H]2CF)cccc1OC(F)(F)F ZINC001233727903 1098416786 /nfs/dbraw/zinc/41/67/86/1098416786.db2.gz RHTYVFNRZPKAQA-UWVGGRQHSA-N 1 2 311.250 3.173 20 10 DGCDLO Oc1c(C[N@H+]2C[C@@H](F)C[C@H]2CF)cccc1OC(F)(F)F ZINC001233727903 1098416790 /nfs/dbraw/zinc/41/67/90/1098416790.db2.gz RHTYVFNRZPKAQA-UWVGGRQHSA-N 1 2 311.250 3.173 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001177166672 1098480470 /nfs/dbraw/zinc/48/04/70/1098480470.db2.gz RVSQTIYQCKKYJU-GFCCVEGCSA-N 1 2 323.751 3.114 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235127071 1098826400 /nfs/dbraw/zinc/82/64/00/1098826400.db2.gz XERALEKGKGEIMS-HNNXBMFYSA-N 1 2 315.244 3.417 20 10 DGCDLO Oc1c(Cl)cccc1CN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235221388 1098892933 /nfs/dbraw/zinc/89/29/33/1098892933.db2.gz RBNCIWNKIGUHGB-DOTOQJQBSA-N 1 2 314.816 3.117 20 10 DGCDLO C[C@@]1(CF)CC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235299487 1098949092 /nfs/dbraw/zinc/94/90/92/1098949092.db2.gz VHCZCBLERGDPFR-ZDUSSCGKSA-N 1 2 320.177 3.475 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC2(CC2)C1 ZINC001235293337 1098946390 /nfs/dbraw/zinc/94/63/90/1098946390.db2.gz HTLGBIMSMZNZGV-UHFFFAOYSA-N 1 2 300.171 3.280 20 10 DGCDLO C[C@@]1(CF)CC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235299487 1098949082 /nfs/dbraw/zinc/94/90/82/1098949082.db2.gz VHCZCBLERGDPFR-ZDUSSCGKSA-N 1 2 320.177 3.475 20 10 DGCDLO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ncc(Cl)cn1 ZINC001235412866 1099009424 /nfs/dbraw/zinc/00/94/24/1099009424.db2.gz JVRXQZNJMDXZGC-UHFFFAOYSA-N 1 2 316.836 3.362 20 10 DGCDLO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ncc(Cl)cn1 ZINC001235412866 1099009436 /nfs/dbraw/zinc/00/94/36/1099009436.db2.gz JVRXQZNJMDXZGC-UHFFFAOYSA-N 1 2 316.836 3.362 20 10 DGCDLO Oc1c(F)cccc1CN1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001235794670 1099184287 /nfs/dbraw/zinc/18/42/87/1099184287.db2.gz VQBOZJWTYGYNQG-MRXNPFEDSA-N 1 2 320.795 3.331 20 10 DGCDLO Oc1c(F)cccc1C[N@@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235794670 1099184290 /nfs/dbraw/zinc/18/42/90/1099184290.db2.gz VQBOZJWTYGYNQG-MRXNPFEDSA-N 1 2 320.795 3.331 20 10 DGCDLO Oc1c(F)cccc1C[N@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235794670 1099184292 /nfs/dbraw/zinc/18/42/92/1099184292.db2.gz VQBOZJWTYGYNQG-MRXNPFEDSA-N 1 2 320.795 3.331 20 10 DGCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCc2c(O)cccc2C1 ZINC001237122700 1099982501 /nfs/dbraw/zinc/98/25/01/1099982501.db2.gz WWMMCWGVVIAVOQ-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCc2c(O)cccc2C1 ZINC001237122700 1099982509 /nfs/dbraw/zinc/98/25/09/1099982509.db2.gz WWMMCWGVVIAVOQ-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO COc1ccc(CN(C2CCC2)[C@H]2CCC[NH2+]C2)c(O)c1Cl ZINC001237157247 1100008035 /nfs/dbraw/zinc/00/80/35/1100008035.db2.gz SHEHQGANYGCGOL-AWEZNQCLSA-N 1 2 324.852 3.161 20 10 DGCDLO Oc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237618077 1100190132 /nfs/dbraw/zinc/19/01/32/1100190132.db2.gz XKOYABUSUVKKEL-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Oc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237618077 1100190136 /nfs/dbraw/zinc/19/01/36/1100190136.db2.gz XKOYABUSUVKKEL-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCOCC2(C)C)cc1Br ZINC001237678659 1100212286 /nfs/dbraw/zinc/21/22/86/1100212286.db2.gz KRNWWYPZRQGZQC-UHFFFAOYSA-N 1 2 314.223 3.074 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2O)CCC[C@]1(C)O ZINC001237807938 1100253438 /nfs/dbraw/zinc/25/34/38/1100253438.db2.gz OSJPKVFGJRFJKN-BMIGLBTASA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2O)CCC[C@]1(C)O ZINC001237807938 1100253443 /nfs/dbraw/zinc/25/34/43/1100253443.db2.gz OSJPKVFGJRFJKN-BMIGLBTASA-N 1 2 301.789 3.168 20 10 DGCDLO Oc1cc(Cl)c(F)cc1CN1CC[NH+](Cc2ccco2)CC1 ZINC001237935500 1100296112 /nfs/dbraw/zinc/29/61/12/1100296112.db2.gz DVOGZNAJUGECNA-UHFFFAOYSA-N 1 2 324.783 3.096 20 10 DGCDLO COc1cc2c(cc1OC)C[NH+](Cc1cc(F)cc(C)c1O)C2 ZINC001238064789 1100349317 /nfs/dbraw/zinc/34/93/17/1100349317.db2.gz CDVOMGNXQMLOCK-UHFFFAOYSA-N 1 2 317.360 3.373 20 10 DGCDLO COc1cnc(C[N@@H+]2CCc3cccc(O)c3C2)c(Cl)c1 ZINC001238495622 1100458469 /nfs/dbraw/zinc/45/84/69/1100458469.db2.gz ZETQDDKLQWGYEG-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cnc(C[N@H+]2CCc3cccc(O)c3C2)c(Cl)c1 ZINC001238495622 1100458476 /nfs/dbraw/zinc/45/84/76/1100458476.db2.gz ZETQDDKLQWGYEG-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO CCCCCC[C@@H](C)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001257359981 1106573547 /nfs/dbraw/zinc/57/35/47/1106573547.db2.gz GONPSEWJCBRBFV-HIFRSBDPSA-N 1 2 323.433 3.130 20 10 DGCDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2O)o1 ZINC000179562302 432063203 /nfs/dbraw/zinc/06/32/03/432063203.db2.gz UFQHAXTYXLHSDG-KRWDZBQOSA-N 1 2 321.380 3.383 20 10 DGCDLO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2O)o1 ZINC000179562302 432063204 /nfs/dbraw/zinc/06/32/04/432063204.db2.gz UFQHAXTYXLHSDG-KRWDZBQOSA-N 1 2 321.380 3.383 20 10 DGCDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000093413076 193245444 /nfs/dbraw/zinc/24/54/44/193245444.db2.gz VJQVJWPHKKCARB-KRWDZBQOSA-N 1 2 324.472 3.026 20 10 DGCDLO Cc1ccc([C@@H]2COCC[N@H+]2Cc2ccc(N(C)C)cc2)o1 ZINC000093459573 193254829 /nfs/dbraw/zinc/25/48/29/193254829.db2.gz BRDOWWHSHRPSEE-KRWDZBQOSA-N 1 2 300.402 3.228 20 10 DGCDLO Cc1ccc([C@@H]2COCC[N@@H+]2Cc2ccc(N(C)C)cc2)o1 ZINC000093459573 193254831 /nfs/dbraw/zinc/25/48/31/193254831.db2.gz BRDOWWHSHRPSEE-KRWDZBQOSA-N 1 2 300.402 3.228 20 10 DGCDLO COCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1 ZINC000272240534 130011978 /nfs/dbraw/zinc/01/19/78/130011978.db2.gz GWHSDQGEXYNKBE-AWEZNQCLSA-N 1 2 320.345 3.069 20 10 DGCDLO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(F)cc1O ZINC000273512986 130130077 /nfs/dbraw/zinc/13/00/77/130130077.db2.gz RZNLSGQAPVHSGM-LKFCYVNXSA-N 1 2 311.303 3.194 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(Cl)cc(Cl)c1O ZINC000287669317 131293676 /nfs/dbraw/zinc/29/36/76/131293676.db2.gz MCVAHGSYARCWAT-UFBFGSQYSA-N 1 2 319.232 3.216 20 10 DGCDLO CCC(=O)N1CC[C@H]([NH2+][C@H](CC)c2cccc(Cl)c2O)C1 ZINC000287771667 131299566 /nfs/dbraw/zinc/29/95/66/131299566.db2.gz RNLWAGYBGULVSC-SMDDNHRTSA-N 1 2 310.825 3.097 20 10 DGCDLO CC[C@@H]([NH2+]CCCOCCOC)c1cccc(Cl)c1O ZINC000287876346 131304285 /nfs/dbraw/zinc/30/42/85/131304285.db2.gz YELRQNQDUIMJRS-CQSZACIVSA-N 1 2 301.814 3.139 20 10 DGCDLO C[C@@H]1CN(c2ccc(CNc3cccc[nH+]3)cc2F)C[C@H](C)O1 ZINC000052457073 400732141 /nfs/dbraw/zinc/73/21/41/400732141.db2.gz HNYKDXBOFGFTHW-OKILXGFUSA-N 1 2 315.392 3.446 20 10 DGCDLO CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCO1)c1cccc(Cl)c1O ZINC000286972016 288085742 /nfs/dbraw/zinc/08/57/42/288085742.db2.gz IMJVGBIAAUGUTI-ZNMIVQPWSA-N 1 2 313.825 3.280 20 10 DGCDLO Cc1nn(C)c(C)c1C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000112018066 431246143 /nfs/dbraw/zinc/24/61/43/431246143.db2.gz YMSAMSIAJUJTRR-UHFFFAOYSA-N 1 2 314.216 3.339 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cnnn1C)c1cc(Cl)cc(Cl)c1O ZINC000287168073 280190875 /nfs/dbraw/zinc/19/08/75/280190875.db2.gz CAWIJLGNPBSBNG-GFCCVEGCSA-N 1 2 315.204 3.068 20 10 DGCDLO Cc1cc(C(=O)NC2=[NH+]CCS2)c(C)n1-c1ccccc1C ZINC000248129899 432270923 /nfs/dbraw/zinc/27/09/23/432270923.db2.gz WTQDUZVZVLAWRJ-UHFFFAOYSA-N 1 2 313.426 3.235 20 10 DGCDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000191431344 432262810 /nfs/dbraw/zinc/26/28/10/432262810.db2.gz JOHVIQRGSGBLSP-ZDUSSCGKSA-N 1 2 323.799 3.428 20 10 DGCDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000191431344 432262815 /nfs/dbraw/zinc/26/28/15/432262815.db2.gz JOHVIQRGSGBLSP-ZDUSSCGKSA-N 1 2 323.799 3.428 20 10 DGCDLO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(Cl)c(Cl)c1O ZINC000184982531 432452846 /nfs/dbraw/zinc/45/28/46/432452846.db2.gz BYBJDIFMPNMKNL-KWQFWETISA-N 1 2 317.216 3.018 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000184720696 432425994 /nfs/dbraw/zinc/42/59/94/432425994.db2.gz PPVHECMSOPEOAM-UHFFFAOYSA-N 1 2 318.200 3.038 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000184720696 432425996 /nfs/dbraw/zinc/42/59/96/432425996.db2.gz PPVHECMSOPEOAM-UHFFFAOYSA-N 1 2 318.200 3.038 20 10 DGCDLO C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1cc([N+](=O)[O-])ccc1O ZINC000273520632 432606520 /nfs/dbraw/zinc/60/65/20/432606520.db2.gz UGOVYPGMDUVHMY-VIFPVBQESA-N 1 2 319.386 3.485 20 10 DGCDLO CN(C)[C@@H](C[NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000159730107 432694022 /nfs/dbraw/zinc/69/40/22/432694022.db2.gz KUSFURBKUGNZCV-INIZCTEOSA-N 1 2 304.821 3.438 20 10 DGCDLO CN(CC[NH2+]Cc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC000224576309 432683842 /nfs/dbraw/zinc/68/38/42/432683842.db2.gz UCWGCOWLWHKCDQ-UHFFFAOYSA-N 1 2 314.813 3.002 20 10 DGCDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2c(O)cccc2Cl)cn1 ZINC000276734377 432824388 /nfs/dbraw/zinc/82/43/88/432824388.db2.gz CDZGKKMBISQJFT-CQSZACIVSA-N 1 2 323.849 3.069 20 10 DGCDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2c(O)cccc2Cl)cn1 ZINC000276734377 432824391 /nfs/dbraw/zinc/82/43/91/432824391.db2.gz CDZGKKMBISQJFT-CQSZACIVSA-N 1 2 323.849 3.069 20 10 DGCDLO CC[C@@H]([NH2+]CCc1nnc(C)s1)c1cccc(Cl)c1O ZINC000289926890 432978509 /nfs/dbraw/zinc/97/85/09/432978509.db2.gz VFSLOWYKRFCEOE-GFCCVEGCSA-N 1 2 311.838 3.489 20 10 DGCDLO COCc1nc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)cs1 ZINC000289911016 432978571 /nfs/dbraw/zinc/97/85/71/432978571.db2.gz UJAPVNRXZLDMLD-QMMMGPOBSA-N 1 2 314.357 3.124 20 10 DGCDLO CCCC[N@H+](Cc1nnc(OCC)s1)Cc1ccccc1O ZINC000282497280 433615890 /nfs/dbraw/zinc/61/58/90/433615890.db2.gz QNFYMUAJNBHDEG-UHFFFAOYSA-N 1 2 321.446 3.445 20 10 DGCDLO CCCC[N@@H+](Cc1nnc(OCC)s1)Cc1ccccc1O ZINC000282497280 433615905 /nfs/dbraw/zinc/61/59/05/433615905.db2.gz QNFYMUAJNBHDEG-UHFFFAOYSA-N 1 2 321.446 3.445 20 10 DGCDLO CC(C)c1nnc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)[nH]1 ZINC000293547732 433778272 /nfs/dbraw/zinc/77/82/72/433778272.db2.gz GRLDNLFWEBGFHC-QMMMGPOBSA-N 1 2 312.776 3.277 20 10 DGCDLO Cc1cc(N(C)C)ccc1CNc1nc(N)c2ccccc2[nH+]1 ZINC000301916570 433791100 /nfs/dbraw/zinc/79/11/00/433791100.db2.gz VWEMWNPACUXHKQ-UHFFFAOYSA-N 1 2 307.401 3.199 20 10 DGCDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(C)c(O)c2O)[nH+]1 ZINC000367878967 434560082 /nfs/dbraw/zinc/56/00/82/434560082.db2.gz NAYQYYVQKADTLG-UHFFFAOYSA-N 1 2 323.352 3.357 20 10 DGCDLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Br)cc1 ZINC000492853219 435061830 /nfs/dbraw/zinc/06/18/30/435061830.db2.gz BDYQYXYLCMLGPT-YVMONPNESA-N 1 2 320.190 3.239 20 10 DGCDLO Oc1cccc(Cl)c1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529664050 435039204 /nfs/dbraw/zinc/03/92/04/435039204.db2.gz CCIDXATZADSMPQ-UHFFFAOYSA-N 1 2 315.804 3.271 20 10 DGCDLO Oc1cccc(Cl)c1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529664050 435039206 /nfs/dbraw/zinc/03/92/06/435039206.db2.gz CCIDXATZADSMPQ-UHFFFAOYSA-N 1 2 315.804 3.271 20 10 DGCDLO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187742380 333237242 /nfs/dbraw/zinc/23/72/42/333237242.db2.gz RJDVTBMTVBUYDT-RYUDHWBXSA-N 1 2 301.377 3.366 20 10 DGCDLO COc1ccc(O)c(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000180531342 534200489 /nfs/dbraw/zinc/20/04/89/534200489.db2.gz DCPKCTLSFIZXFV-UHFFFAOYSA-N 1 2 308.381 3.440 20 10 DGCDLO COc1ccc(O)c(C[N@H+]2CCc3c4ccccc4[nH]c3C2)c1 ZINC000180531342 534200497 /nfs/dbraw/zinc/20/04/97/534200497.db2.gz DCPKCTLSFIZXFV-UHFFFAOYSA-N 1 2 308.381 3.440 20 10 DGCDLO CN(Cc1ccc(N2CCCC2)[nH+]c1)c1ccc2c(c1)OCO2 ZINC000180759735 523262192 /nfs/dbraw/zinc/26/21/92/523262192.db2.gz MKCHIBWODBQKAO-UHFFFAOYSA-N 1 2 311.385 3.047 20 10 DGCDLO C[C@](O)(CC[NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000190275856 525166413 /nfs/dbraw/zinc/16/64/13/525166413.db2.gz UTNJTWDIXIZTEK-KRWDZBQOSA-N 1 2 305.805 3.433 20 10 DGCDLO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)cc1 ZINC000191213087 525783757 /nfs/dbraw/zinc/78/37/57/525783757.db2.gz GFJLRZHTXGULPW-NHYWBVRUSA-N 1 2 307.340 3.363 20 10 DGCDLO COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273386002 536897084 /nfs/dbraw/zinc/89/70/84/536897084.db2.gz JLXMQKMZMNCMOF-NSHDSACASA-N 1 2 302.330 3.160 20 10 DGCDLO CCc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc[nH+]1 ZINC000733188487 574606189 /nfs/dbraw/zinc/60/61/89/574606189.db2.gz GLRNWHBSOLPWDO-CQSZACIVSA-N 1 2 312.417 3.049 20 10 DGCDLO COc1ccc([NH+]2CCC(NC(=O)C3=C(C)CCC3)CC2)cc1 ZINC000746839041 575478420 /nfs/dbraw/zinc/47/84/20/575478420.db2.gz GDBXHSOAFIURCX-UHFFFAOYSA-N 1 2 314.429 3.281 20 10 DGCDLO C[C@H](Cc1ccncc1)[NH2+]Cc1cccc(Br)c1O ZINC000749294193 575643502 /nfs/dbraw/zinc/64/35/02/575643502.db2.gz FZSPKWPLZSJWNK-LLVKDONJSA-N 1 2 321.218 3.271 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCc3ccc(F)cc3C2)c1O ZINC000749452044 575657151 /nfs/dbraw/zinc/65/71/51/575657151.db2.gz WGNHJLNIESGKMT-UHFFFAOYSA-N 1 2 317.335 3.431 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCc3ccc(F)cc3C2)c1O ZINC000749452044 575657154 /nfs/dbraw/zinc/65/71/54/575657154.db2.gz WGNHJLNIESGKMT-UHFFFAOYSA-N 1 2 317.335 3.431 20 10 DGCDLO CC[N@H+](Cc1ccccn1)Cc1cc(F)cc(C(C)=O)c1O ZINC000126642589 575895109 /nfs/dbraw/zinc/89/51/09/575895109.db2.gz ZMVLDWABMOWRNJ-UHFFFAOYSA-N 1 2 302.349 3.151 20 10 DGCDLO CC[N@@H+](Cc1ccccn1)Cc1cc(F)cc(C(C)=O)c1O ZINC000126642589 575895114 /nfs/dbraw/zinc/89/51/14/575895114.db2.gz ZMVLDWABMOWRNJ-UHFFFAOYSA-N 1 2 302.349 3.151 20 10 DGCDLO C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1O)Cn1cccn1 ZINC000725847435 575929279 /nfs/dbraw/zinc/92/92/79/575929279.db2.gz LRISZCLXVYBOSO-JTQLQIEISA-N 1 2 314.216 3.321 20 10 DGCDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000853572319 620710824 /nfs/dbraw/zinc/71/08/24/620710824.db2.gz OXLKDCKFUUYCLT-MEBBXXQBSA-N 1 2 315.335 3.033 20 10 DGCDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000853572319 620710826 /nfs/dbraw/zinc/71/08/26/620710826.db2.gz OXLKDCKFUUYCLT-MEBBXXQBSA-N 1 2 315.335 3.033 20 10 DGCDLO CC[C@@H](CO)[N@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000894871449 618484517 /nfs/dbraw/zinc/48/45/17/618484517.db2.gz UVTCVSUEOBLGAI-JTQLQIEISA-N 1 2 322.630 3.011 20 10 DGCDLO CC[C@@H](CO)[N@@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000894871449 618484520 /nfs/dbraw/zinc/48/45/20/618484520.db2.gz UVTCVSUEOBLGAI-JTQLQIEISA-N 1 2 322.630 3.011 20 10 DGCDLO c1ccc(-c2noc(C[NH2+]Cc3ccc4c(c3)CCCO4)n2)cc1 ZINC000893621020 618618503 /nfs/dbraw/zinc/61/85/03/618618503.db2.gz IIXWXMWRBOQCET-UHFFFAOYSA-N 1 2 321.380 3.351 20 10 DGCDLO CO[C@](C)([C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000840961020 618639265 /nfs/dbraw/zinc/63/92/65/618639265.db2.gz PKBJIANFXWJULI-BJOHPYRUSA-N 1 2 301.789 3.478 20 10 DGCDLO C[C@@H](O)CC[N@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000894033268 618695700 /nfs/dbraw/zinc/69/57/00/618695700.db2.gz FNFAXPLJQFYJKD-MRVPVSSYSA-N 1 2 322.630 3.011 20 10 DGCDLO C[C@@H](O)CC[N@@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000894033268 618695703 /nfs/dbraw/zinc/69/57/03/618695703.db2.gz FNFAXPLJQFYJKD-MRVPVSSYSA-N 1 2 322.630 3.011 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000894092803 618708267 /nfs/dbraw/zinc/70/82/67/618708267.db2.gz BYQSZQFJSDSPRI-SJKOYZFVSA-N 1 2 322.399 3.119 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000894092803 618708269 /nfs/dbraw/zinc/70/82/69/618708269.db2.gz BYQSZQFJSDSPRI-SJKOYZFVSA-N 1 2 322.399 3.119 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000894092803 618708272 /nfs/dbraw/zinc/70/82/72/618708272.db2.gz BYQSZQFJSDSPRI-SJKOYZFVSA-N 1 2 322.399 3.119 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000894092803 618708274 /nfs/dbraw/zinc/70/82/74/618708274.db2.gz BYQSZQFJSDSPRI-SJKOYZFVSA-N 1 2 322.399 3.119 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000896600399 618933110 /nfs/dbraw/zinc/93/31/10/618933110.db2.gz WZROJKUFRPXFFO-AWEZNQCLSA-N 1 2 307.756 3.216 20 10 DGCDLO Oc1cccc(F)c1C[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000896641711 618940325 /nfs/dbraw/zinc/94/03/25/618940325.db2.gz VHBYMWUZQQUDAT-UHFFFAOYSA-N 1 2 306.284 3.296 20 10 DGCDLO CC[C@H]([NH2+]CCOC1CCOCC1)c1cccc(Cl)c1O ZINC000927076374 619262572 /nfs/dbraw/zinc/26/25/72/619262572.db2.gz GPTYPEBNNKCYGH-HNNXBMFYSA-N 1 2 313.825 3.282 20 10 DGCDLO CCOCCOCC[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000927087228 619264303 /nfs/dbraw/zinc/26/43/03/619264303.db2.gz OVHQWMIZNNPISX-CQSZACIVSA-N 1 2 301.814 3.139 20 10 DGCDLO COC(=O)C1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000898611364 619288355 /nfs/dbraw/zinc/28/83/55/619288355.db2.gz VCCJYQUECCCLCN-UHFFFAOYSA-N 1 2 315.772 3.006 20 10 DGCDLO CCCN1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000915816646 620599271 /nfs/dbraw/zinc/59/92/71/620599271.db2.gz MWALLTPWHMKRTG-UHFFFAOYSA-N 1 2 320.477 3.226 20 10 DGCDLO FC(F)c1ccnc(C[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000922128935 620991991 /nfs/dbraw/zinc/99/19/91/620991991.db2.gz NCOSLAPXZDWVJU-UHFFFAOYSA-N 1 2 305.328 3.029 20 10 DGCDLO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC000857226191 621071180 /nfs/dbraw/zinc/07/11/80/621071180.db2.gz HEZVXNRECLIZAQ-QMTHXVAHSA-N 1 2 301.217 3.012 20 10 DGCDLO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1cc(F)cc(F)c1O ZINC000756420055 621118796 /nfs/dbraw/zinc/11/87/96/621118796.db2.gz VSFWWQIMQDKBRE-JTQLQIEISA-N 1 2 313.344 3.007 20 10 DGCDLO Cn1nc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1C1CC1 ZINC000922956069 621137585 /nfs/dbraw/zinc/13/75/85/621137585.db2.gz UORGIBMPVLTVOB-UHFFFAOYSA-N 1 2 309.772 3.085 20 10 DGCDLO COc1ccc[nH+]c1NCc1ccc(N2CCSCC2)cc1 ZINC000858353441 621179995 /nfs/dbraw/zinc/17/99/95/621179995.db2.gz LIBAGCCVYIJHNQ-UHFFFAOYSA-N 1 2 315.442 3.256 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cc(F)cc(F)c1O ZINC000858531324 621202254 /nfs/dbraw/zinc/20/22/54/621202254.db2.gz DKSIKNPMKOAAHE-RISCZKNCSA-N 1 2 310.388 3.338 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)c2nnc(C)[nH]2)cc1 ZINC000839459604 621378435 /nfs/dbraw/zinc/37/84/35/621378435.db2.gz OSSQCVKCJMTEDK-ZDUSSCGKSA-N 1 2 301.438 3.152 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)c2nnc(C)[nH]2)cc1 ZINC000839459604 621378439 /nfs/dbraw/zinc/37/84/39/621378439.db2.gz OSSQCVKCJMTEDK-ZDUSSCGKSA-N 1 2 301.438 3.152 20 10 DGCDLO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000753584952 621451299 /nfs/dbraw/zinc/45/12/99/621451299.db2.gz CHBUOWKDFMUUJA-MNOVXSKESA-N 1 2 301.789 3.480 20 10 DGCDLO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1O ZINC000756364014 621631417 /nfs/dbraw/zinc/63/14/17/621631417.db2.gz RMDALXRUWLUHKF-JTQLQIEISA-N 1 2 321.323 3.292 20 10 DGCDLO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000756455534 621639523 /nfs/dbraw/zinc/63/95/23/621639523.db2.gz DDOVFEVWZVTKGB-TZMCWYRMSA-N 1 2 321.367 3.172 20 10 DGCDLO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC000756603277 621652075 /nfs/dbraw/zinc/65/20/75/621652075.db2.gz AEHBZCCHJRSAFD-VIFPVBQESA-N 1 2 301.333 3.053 20 10 DGCDLO C[C@H]([NH2+][C@@H]1CCSC1)c1cc(Br)c(F)cc1O ZINC000756734145 621661498 /nfs/dbraw/zinc/66/14/98/621661498.db2.gz UXXAKLGRPUTGIZ-JGVFFNPUSA-N 1 2 320.227 3.450 20 10 DGCDLO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1O ZINC000756786225 621664334 /nfs/dbraw/zinc/66/43/34/621664334.db2.gz ZHNQEVXDWYBWHF-JTQLQIEISA-N 1 2 322.311 3.472 20 10 DGCDLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cc(Cl)ccc1O ZINC000756846600 621667996 /nfs/dbraw/zinc/66/79/96/621667996.db2.gz VQKBFNZKAHHPLH-LLVKDONJSA-N 1 2 321.808 3.042 20 10 DGCDLO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(Cl)c(Cl)cc1O ZINC000863548554 621683035 /nfs/dbraw/zinc/68/30/35/621683035.db2.gz ZVTBRCOWNHWGRE-UTLUCORTSA-N 1 2 303.233 3.490 20 10 DGCDLO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000757655913 621731114 /nfs/dbraw/zinc/73/11/14/621731114.db2.gz LORGIXKDKYDVAI-VGMNWLOBSA-N 1 2 320.202 3.104 20 10 DGCDLO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000757655901 621731209 /nfs/dbraw/zinc/73/12/09/621731209.db2.gz LORGIXKDKYDVAI-CIUDSAMLSA-N 1 2 320.202 3.104 20 10 DGCDLO CC[C@@H]([NH2+]CCCNc1ncccn1)c1cccc(Cl)c1O ZINC000806143629 622190159 /nfs/dbraw/zinc/19/01/59/622190159.db2.gz LTBIPQSEYMQJIM-CQSZACIVSA-N 1 2 320.824 3.379 20 10 DGCDLO CC(C)(C)CC(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000768252275 622447706 /nfs/dbraw/zinc/44/77/06/622447706.db2.gz HYRIQRITMIJSIN-UHFFFAOYSA-N 1 2 324.852 3.126 20 10 DGCDLO CCc1nc(C[N@H+](C)Cc2cc(OC)c(OC)cc2O)cs1 ZINC000768440971 622456395 /nfs/dbraw/zinc/45/63/95/622456395.db2.gz BXBVJDLGZBVHTD-UHFFFAOYSA-N 1 2 322.430 3.060 20 10 DGCDLO CCc1nc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2O)cs1 ZINC000768440971 622456397 /nfs/dbraw/zinc/45/63/97/622456397.db2.gz BXBVJDLGZBVHTD-UHFFFAOYSA-N 1 2 322.430 3.060 20 10 DGCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](C(F)(F)F)C1)CCCC2 ZINC000768445187 622457147 /nfs/dbraw/zinc/45/71/47/622457147.db2.gz GIVILXITQCRGFA-OAHLLOKOSA-N 1 2 315.335 3.034 20 10 DGCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](C(F)(F)F)C1)CCCC2 ZINC000768445187 622457149 /nfs/dbraw/zinc/45/71/49/622457149.db2.gz GIVILXITQCRGFA-OAHLLOKOSA-N 1 2 315.335 3.034 20 10 DGCDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC000769371890 622521564 /nfs/dbraw/zinc/52/15/64/622521564.db2.gz UUJSHAPEUKVEPA-UHFFFAOYSA-N 1 2 317.772 3.348 20 10 DGCDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000769371890 622521565 /nfs/dbraw/zinc/52/15/65/622521565.db2.gz UUJSHAPEUKVEPA-UHFFFAOYSA-N 1 2 317.772 3.348 20 10 DGCDLO CC[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc(Cl)c1O ZINC000806147223 622915169 /nfs/dbraw/zinc/91/51/69/622915169.db2.gz VJBWKUMHXSJNRJ-MGULZYLOSA-N 1 2 310.825 3.130 20 10 DGCDLO C[C@@H]([NH2+]CCN1CCCC(C)(C)C1)c1cc(F)cc(F)c1O ZINC000774484607 623151494 /nfs/dbraw/zinc/15/14/94/623151494.db2.gz BSFMUNDVLJKTGI-GFCCVEGCSA-N 1 2 312.404 3.443 20 10 DGCDLO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775178300 623238565 /nfs/dbraw/zinc/23/85/65/623238565.db2.gz VQYAOSRAWIIMBF-HNNXBMFYSA-N 1 2 301.789 3.312 20 10 DGCDLO CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775178300 623238570 /nfs/dbraw/zinc/23/85/70/623238570.db2.gz VQYAOSRAWIIMBF-HNNXBMFYSA-N 1 2 301.789 3.312 20 10 DGCDLO C[C@H]([NH2+]CCC(C)(C)O)c1cc(Br)c(F)cc1O ZINC000775586603 623293587 /nfs/dbraw/zinc/29/35/87/623293587.db2.gz TVTFFKUUEVPRTP-QMMMGPOBSA-N 1 2 320.202 3.105 20 10 DGCDLO CC(C)N(C)C(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775655312 623305993 /nfs/dbraw/zinc/30/59/93/623305993.db2.gz DGBHDUSMUIABGW-UHFFFAOYSA-N 1 2 324.852 3.124 20 10 DGCDLO CCC1(CO)CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775713421 623318750 /nfs/dbraw/zinc/31/87/50/623318750.db2.gz NGAZZUMQECZCRG-UHFFFAOYSA-N 1 2 301.789 3.169 20 10 DGCDLO CCO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775832772 623338616 /nfs/dbraw/zinc/33/86/16/623338616.db2.gz BOZMGXXTDFMTIV-CHWSQXEVSA-N 1 2 318.421 3.084 20 10 DGCDLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000775833793 623339461 /nfs/dbraw/zinc/33/94/61/623339461.db2.gz MHSOYWPXKDGJAX-NSHDSACASA-N 1 2 318.446 3.018 20 10 DGCDLO CC(=O)Nc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000775853122 623341406 /nfs/dbraw/zinc/34/14/06/623341406.db2.gz WXOYEJDGZUHFOL-UHFFFAOYSA-N 1 2 304.777 3.294 20 10 DGCDLO C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000776175484 623390418 /nfs/dbraw/zinc/39/04/18/623390418.db2.gz RRRLMRCAGZTKMI-MRXNPFEDSA-N 1 2 309.768 3.182 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000776253299 623401678 /nfs/dbraw/zinc/40/16/78/623401678.db2.gz LWCHQKHWZOZMNB-UHFFFAOYSA-N 1 2 321.783 3.184 20 10 DGCDLO Cc1cc(O)c(C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C)cc1C ZINC000776256506 623402690 /nfs/dbraw/zinc/40/26/90/623402690.db2.gz BUHNBSVMEVQTDI-MRXNPFEDSA-N 1 2 307.434 3.465 20 10 DGCDLO Cc1cccn2cc(C[NH2+]Cc3cc(Cl)cc(F)c3O)nc12 ZINC000777485509 623530921 /nfs/dbraw/zinc/53/09/21/623530921.db2.gz YRUYCJVJHOICGP-UHFFFAOYSA-N 1 2 319.767 3.431 20 10 DGCDLO Oc1c(F)c(F)ccc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000876635602 623665742 /nfs/dbraw/zinc/66/57/42/623665742.db2.gz ZHWWRDJBZFNVHB-CQSZACIVSA-N 1 2 323.339 3.445 20 10 DGCDLO Oc1c(F)c(F)ccc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000876635602 623665745 /nfs/dbraw/zinc/66/57/45/623665745.db2.gz ZHWWRDJBZFNVHB-CQSZACIVSA-N 1 2 323.339 3.445 20 10 DGCDLO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(Cl)c1O ZINC000779432187 623770502 /nfs/dbraw/zinc/77/05/02/623770502.db2.gz NLCKCGIOSRQTPV-BLLLJJGKSA-N 1 2 311.809 3.257 20 10 DGCDLO Oc1c(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)ccc(F)c1F ZINC000877653427 623978627 /nfs/dbraw/zinc/97/86/27/623978627.db2.gz KDYSHOYFOMDTQQ-GOSISDBHSA-N 1 2 319.351 3.154 20 10 DGCDLO Oc1c(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)ccc(F)c1F ZINC000877653427 623978629 /nfs/dbraw/zinc/97/86/29/623978629.db2.gz KDYSHOYFOMDTQQ-GOSISDBHSA-N 1 2 319.351 3.154 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)ccc(F)c1F ZINC000877673737 623987006 /nfs/dbraw/zinc/98/70/06/623987006.db2.gz QXVFGPQPHOLZKE-GDBMZVCRSA-N 1 2 319.351 3.368 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)ccc(F)c1F ZINC000877673737 623987009 /nfs/dbraw/zinc/98/70/09/623987009.db2.gz QXVFGPQPHOLZKE-GDBMZVCRSA-N 1 2 319.351 3.368 20 10 DGCDLO CCOc1cc(C[N@@H+]2Cc3cccc(O)c3C2)c(F)cc1OC ZINC000877702733 623997884 /nfs/dbraw/zinc/99/78/84/623997884.db2.gz FRWGNGIWYNXMNJ-UHFFFAOYSA-N 1 2 317.360 3.454 20 10 DGCDLO CCOc1cc(C[N@H+]2Cc3cccc(O)c3C2)c(F)cc1OC ZINC000877702733 623997887 /nfs/dbraw/zinc/99/78/87/623997887.db2.gz FRWGNGIWYNXMNJ-UHFFFAOYSA-N 1 2 317.360 3.454 20 10 DGCDLO CC[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1cccc(Cl)c1O ZINC000806149438 624410611 /nfs/dbraw/zinc/41/06/11/624410611.db2.gz SNCXOXWMWMEBDA-GZMMTYOYSA-N 1 2 311.731 3.400 20 10 DGCDLO CC(C)([NH2+]Cc1cc(Cl)cc(F)c1O)C1CCOCC1 ZINC000787332434 625001361 /nfs/dbraw/zinc/00/13/61/625001361.db2.gz KQJDUVFUPXAMPD-UHFFFAOYSA-N 1 2 301.789 3.480 20 10 DGCDLO C[C@@H](O)CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000788603780 625225115 /nfs/dbraw/zinc/22/51/15/625225115.db2.gz DRZCYNAUPRZOPQ-RKDXNWHRSA-N 1 2 320.202 3.105 20 10 DGCDLO OC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(F)cc1 ZINC000790966247 625725075 /nfs/dbraw/zinc/72/50/75/625725075.db2.gz CMIMSDNYABIGGI-ZDUSSCGKSA-N 1 2 313.731 3.147 20 10 DGCDLO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000882910149 625854890 /nfs/dbraw/zinc/85/48/90/625854890.db2.gz LRUFLTROQUFBNG-CQSZACIVSA-N 1 2 309.360 3.071 20 10 DGCDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(Br)ccc1O ZINC000131503345 626645742 /nfs/dbraw/zinc/64/57/42/626645742.db2.gz XANRBDOJSYMPJW-GWCFXTLKSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(Br)ccc1O ZINC000131502938 626645799 /nfs/dbraw/zinc/64/57/99/626645799.db2.gz XANRBDOJSYMPJW-MFKMUULPSA-N 1 2 314.223 3.154 20 10 DGCDLO CCC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000131689266 626670159 /nfs/dbraw/zinc/67/01/59/626670159.db2.gz VNAPZEOKSONATP-UHFFFAOYSA-N 1 2 303.233 3.227 20 10 DGCDLO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)C(F)F)c1O ZINC000883400012 626673028 /nfs/dbraw/zinc/67/30/28/626673028.db2.gz BKZMZZXMOBHRCB-NKWVEPMBSA-N 1 2 324.165 3.468 20 10 DGCDLO CN(C)c1nc(NCc2cc(Cl)cc(Cl)c2O)cc[nH+]1 ZINC000808089381 626791950 /nfs/dbraw/zinc/79/19/50/626791950.db2.gz QXVZYFUABHQDRR-UHFFFAOYSA-N 1 2 313.188 3.167 20 10 DGCDLO CCCC[N@H+](C)C[C@H](C)NCc1c(O)ccc(Cl)c1F ZINC000808454960 626826697 /nfs/dbraw/zinc/82/66/97/626826697.db2.gz RSISFGRFHRFYOR-NSHDSACASA-N 1 2 302.821 3.395 20 10 DGCDLO CCCC[N@@H+](C)C[C@H](C)NCc1c(O)ccc(Cl)c1F ZINC000808454960 626826699 /nfs/dbraw/zinc/82/66/99/626826699.db2.gz RSISFGRFHRFYOR-NSHDSACASA-N 1 2 302.821 3.395 20 10 DGCDLO CCCCN(C)C[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000808454960 626826702 /nfs/dbraw/zinc/82/67/02/626826702.db2.gz RSISFGRFHRFYOR-NSHDSACASA-N 1 2 302.821 3.395 20 10 DGCDLO C[S@@](=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000809793581 626955041 /nfs/dbraw/zinc/95/50/41/626955041.db2.gz HIAPGQHWHMBUGO-HXUWFJFHSA-N 1 2 309.818 3.073 20 10 DGCDLO COc1cccc2c(NCCc3ccc(O)c(O)c3)cc[nH+]c12 ZINC000811811660 627324355 /nfs/dbraw/zinc/32/43/55/627324355.db2.gz ZQHSSKSEAZNRJB-UHFFFAOYSA-N 1 2 310.353 3.309 20 10 DGCDLO Cn1ncc2ccc(C[NH2+]Cc3cccc(Cl)c3O)cc21 ZINC000812771251 627418347 /nfs/dbraw/zinc/41/83/47/627418347.db2.gz MKGAWXUMOQAOSV-UHFFFAOYSA-N 1 2 301.777 3.222 20 10 DGCDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816509450 627799447 /nfs/dbraw/zinc/79/94/47/627799447.db2.gz PZSQQVPJAXPFHF-LBPRGKRZSA-N 1 2 301.789 3.432 20 10 DGCDLO CC(C)C[C@H]1COCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816509450 627799449 /nfs/dbraw/zinc/79/94/49/627799449.db2.gz PZSQQVPJAXPFHF-LBPRGKRZSA-N 1 2 301.789 3.432 20 10 DGCDLO C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CCCCC1 ZINC000816536737 627804033 /nfs/dbraw/zinc/80/40/33/627804033.db2.gz IKANQNSZTCIBPJ-NSHDSACASA-N 1 2 300.805 3.149 20 10 DGCDLO CCN1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816550551 627805553 /nfs/dbraw/zinc/80/55/53/627805553.db2.gz USXNOWCLFBOXAF-GFCCVEGCSA-N 1 2 300.805 3.149 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000817969519 627978906 /nfs/dbraw/zinc/97/89/06/627978906.db2.gz VWDJPONNEHHOJN-DDTOSNHZSA-N 1 2 316.367 3.450 20 10 DGCDLO C[N@@H+]1C[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3O)[C@@H]2C1 ZINC000822520455 628460671 /nfs/dbraw/zinc/46/06/71/628460671.db2.gz CBBHWVPWDBSEHH-IINYFYTJSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@H+]1C[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3O)[C@@H]2C1 ZINC000822520455 628460673 /nfs/dbraw/zinc/46/06/73/628460673.db2.gz CBBHWVPWDBSEHH-IINYFYTJSA-N 1 2 315.244 3.225 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824716374 628687171 /nfs/dbraw/zinc/68/71/71/628687171.db2.gz SZMAHFNHAMQRBC-BPLDGKMQSA-N 1 2 313.800 3.310 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824716374 628687172 /nfs/dbraw/zinc/68/71/72/628687172.db2.gz SZMAHFNHAMQRBC-BPLDGKMQSA-N 1 2 313.800 3.310 20 10 DGCDLO CN(C)c1ccc(C[N@H+](C)Cc2csc(C(C)(C)O)n2)cc1 ZINC000825148070 628732240 /nfs/dbraw/zinc/73/22/40/628732240.db2.gz PIVTUBDQTXSNSG-UHFFFAOYSA-N 1 2 319.474 3.069 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](C)Cc2csc(C(C)(C)O)n2)cc1 ZINC000825148070 628732243 /nfs/dbraw/zinc/73/22/43/628732243.db2.gz PIVTUBDQTXSNSG-UHFFFAOYSA-N 1 2 319.474 3.069 20 10 DGCDLO Cc1cc(O)c(C[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)cc1Cl ZINC000825396786 628757676 /nfs/dbraw/zinc/75/76/76/628757676.db2.gz XTOJUDWWLFYQFR-JTQLQIEISA-N 1 2 308.813 3.446 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)[C@H](C)[C@@H](C)O1 ZINC000825634621 628779791 /nfs/dbraw/zinc/77/97/91/628779791.db2.gz PAXHMMUAVVHZFN-GMTAPVOTSA-N 1 2 314.223 3.152 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)[C@H](C)[C@@H](C)O1 ZINC000825634621 628779792 /nfs/dbraw/zinc/77/97/92/628779792.db2.gz PAXHMMUAVVHZFN-GMTAPVOTSA-N 1 2 314.223 3.152 20 10 DGCDLO CC[C@H](COCC1CC1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000826866834 628897373 /nfs/dbraw/zinc/89/73/73/628897373.db2.gz FPFSHFJPDBAKEJ-CYBMUJFWSA-N 1 2 301.789 3.480 20 10 DGCDLO COc1cccc(OC)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000826922048 628903908 /nfs/dbraw/zinc/90/39/08/628903908.db2.gz XWCWOJXIACTJBX-UHFFFAOYSA-N 1 2 307.777 3.353 20 10 DGCDLO Cc1cc(C[N@@H+]2CCc3c[nH]nc3C2)ccc1N1CCCCC1 ZINC000828461338 629056489 /nfs/dbraw/zinc/05/64/89/629056489.db2.gz SWVXAJWWQNBACQ-UHFFFAOYSA-N 1 2 310.445 3.267 20 10 DGCDLO Cc1cc(C[N@H+]2CCc3c[nH]nc3C2)ccc1N1CCCCC1 ZINC000828461338 629056491 /nfs/dbraw/zinc/05/64/91/629056491.db2.gz SWVXAJWWQNBACQ-UHFFFAOYSA-N 1 2 310.445 3.267 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)F ZINC000834828155 629785448 /nfs/dbraw/zinc/78/54/48/629785448.db2.gz PUZXCIVTKABKLP-RISCZKNCSA-N 1 2 316.367 3.357 20 10 DGCDLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cc(F)cc(F)c1O ZINC000840892054 630373887 /nfs/dbraw/zinc/37/38/87/630373887.db2.gz UGDCTVURIPLMHV-ZETCQYMHSA-N 1 2 311.357 3.250 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cccc(Br)c1O)[C@@H](O)C(C)C ZINC000840966466 630388285 /nfs/dbraw/zinc/38/82/85/630388285.db2.gz FYGVANRZJIEZPT-OLZOCXBDSA-N 1 2 316.239 3.040 20 10 DGCDLO Oc1ccc(Cl)c(F)c1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841085715 630406036 /nfs/dbraw/zinc/40/60/36/630406036.db2.gz BJIFPAYFKQCFMY-RISCZKNCSA-N 1 2 312.816 3.149 20 10 DGCDLO Cc1cc(C[N@H+](Cc2ccco2)Cc2ccccc2O)n(C)n1 ZINC000841826513 630469542 /nfs/dbraw/zinc/46/95/42/630469542.db2.gz JDUGTRRAXHEUEU-UHFFFAOYSA-N 1 2 311.385 3.230 20 10 DGCDLO Cc1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)n(C)n1 ZINC000841826513 630469545 /nfs/dbraw/zinc/46/95/45/630469545.db2.gz JDUGTRRAXHEUEU-UHFFFAOYSA-N 1 2 311.385 3.230 20 10 DGCDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@](C)(O)c1ccccc1 ZINC000846039445 631207497 /nfs/dbraw/zinc/20/74/97/631207497.db2.gz SUFCXKTYRVIKFJ-SJCJKPOMSA-N 1 2 305.805 3.431 20 10 DGCDLO CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cccc(Cl)c1O ZINC000848574321 631699998 /nfs/dbraw/zinc/69/99/98/631699998.db2.gz RTWRPKBDGUCXDE-BXUZGUMPSA-N 1 2 324.808 3.070 20 10 DGCDLO CCc1cccc(C[N@@H+]2CCOC[C@H]2c2ccc(C)o2)c1O ZINC000848887353 631771784 /nfs/dbraw/zinc/77/17/84/631771784.db2.gz UMAYNOVFSPRAIB-INIZCTEOSA-N 1 2 301.386 3.430 20 10 DGCDLO CCc1cccc(C[N@H+]2CCOC[C@H]2c2ccc(C)o2)c1O ZINC000848887353 631771787 /nfs/dbraw/zinc/77/17/87/631771787.db2.gz UMAYNOVFSPRAIB-INIZCTEOSA-N 1 2 301.386 3.430 20 10 DGCDLO CCc1cccc(C[N@@H+]2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1O ZINC000848910150 631783226 /nfs/dbraw/zinc/78/32/26/631783226.db2.gz HJLYIEHNGQMZRY-GWCFXTLKSA-N 1 2 303.324 3.106 20 10 DGCDLO CCc1cccc(C[N@H+]2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1O ZINC000848910150 631783229 /nfs/dbraw/zinc/78/32/29/631783229.db2.gz HJLYIEHNGQMZRY-GWCFXTLKSA-N 1 2 303.324 3.106 20 10 DGCDLO C[C@@H]1CCCN(C(=[NH2+])NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000849078400 631828673 /nfs/dbraw/zinc/82/86/73/631828673.db2.gz ZGKQXEZJENLDAL-SECBINFHSA-N 1 2 316.232 3.455 20 10 DGCDLO Cc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)c(O)c1 ZINC000186251380 660354395 /nfs/dbraw/zinc/35/43/95/660354395.db2.gz GXLSHRWMBBBWEE-CQSZACIVSA-N 1 2 313.401 3.105 20 10 DGCDLO Cc1nc(C[NH2+]Cc2c(O)cccc2Br)cs1 ZINC000706821324 660873760 /nfs/dbraw/zinc/87/37/60/660873760.db2.gz CUGAQXDDVPHQMP-UHFFFAOYSA-N 1 2 313.220 3.209 20 10 DGCDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)CO1 ZINC000708114987 660918107 /nfs/dbraw/zinc/91/81/07/660918107.db2.gz QQQHOMVCAZQMGD-XCBNKYQSSA-N 1 2 320.614 3.075 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@@H](C)O1 ZINC000708351419 660920304 /nfs/dbraw/zinc/92/03/04/660920304.db2.gz XQCQPQMPBCZSGM-MFKMUULPSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@@H](C)O1 ZINC000708351419 660920305 /nfs/dbraw/zinc/92/03/05/660920305.db2.gz XQCQPQMPBCZSGM-MFKMUULPSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000792778881 660984225 /nfs/dbraw/zinc/98/42/25/660984225.db2.gz WMWGFNXZIWMCNT-AWEZNQCLSA-N 1 2 316.367 3.382 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000792778881 660984226 /nfs/dbraw/zinc/98/42/26/660984226.db2.gz WMWGFNXZIWMCNT-AWEZNQCLSA-N 1 2 316.367 3.382 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC3(CCCCC3)C2)c1O ZINC000175739479 655541029 /nfs/dbraw/zinc/54/10/29/655541029.db2.gz FYOOJOJNDVLVPR-UHFFFAOYSA-N 1 2 321.392 3.269 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC3(CCCCC3)C2)c1O ZINC000175739479 655541031 /nfs/dbraw/zinc/54/10/31/655541031.db2.gz FYOOJOJNDVLVPR-UHFFFAOYSA-N 1 2 321.392 3.269 20 10 DGCDLO C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000040592906 655712358 /nfs/dbraw/zinc/71/23/58/655712358.db2.gz CCNNGUHTDXAKQR-SNVBAGLBSA-N 1 2 303.233 3.130 20 10 DGCDLO C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000040592906 655712359 /nfs/dbraw/zinc/71/23/59/655712359.db2.gz CCNNGUHTDXAKQR-SNVBAGLBSA-N 1 2 303.233 3.130 20 10 DGCDLO CCOC(C)(C)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715746709 661213955 /nfs/dbraw/zinc/21/39/55/661213955.db2.gz SQNNVGIUFZOMMK-UHFFFAOYSA-N 1 2 320.202 3.199 20 10 DGCDLO C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715790714 661214692 /nfs/dbraw/zinc/21/46/92/661214692.db2.gz CPEDUIZJLADCJG-HQJQHLMTSA-N 1 2 320.227 3.277 20 10 DGCDLO C[N@@H+](Cc1cccc(Br)c1O)CC1CCOCC1 ZINC000156026835 661857064 /nfs/dbraw/zinc/85/70/64/661857064.db2.gz FELAYTUHDDRZLM-UHFFFAOYSA-N 1 2 314.223 3.013 20 10 DGCDLO C[N@H+](Cc1cccc(Br)c1O)CC1CCOCC1 ZINC000156026835 661857069 /nfs/dbraw/zinc/85/70/69/661857069.db2.gz FELAYTUHDDRZLM-UHFFFAOYSA-N 1 2 314.223 3.013 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000091772997 662317635 /nfs/dbraw/zinc/31/76/35/662317635.db2.gz CNDNPAYFFKFMIO-UHFFFAOYSA-N 1 2 316.445 3.204 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000091772997 662317638 /nfs/dbraw/zinc/31/76/38/662317638.db2.gz CNDNPAYFFKFMIO-UHFFFAOYSA-N 1 2 316.445 3.204 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCN1CC(F)(F)F ZINC000092102929 662327318 /nfs/dbraw/zinc/32/73/18/662327318.db2.gz AYGMMFKAEZKOCY-JTQLQIEISA-N 1 2 322.758 3.114 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCN1CC(F)(F)F ZINC000092102929 662327320 /nfs/dbraw/zinc/32/73/20/662327320.db2.gz AYGMMFKAEZKOCY-JTQLQIEISA-N 1 2 322.758 3.114 20 10 DGCDLO CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093770356 662359875 /nfs/dbraw/zinc/35/98/75/662359875.db2.gz CBAQLFWXWCPESH-LLVKDONJSA-N 1 2 317.260 3.473 20 10 DGCDLO CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093770356 662359877 /nfs/dbraw/zinc/35/98/77/662359877.db2.gz CBAQLFWXWCPESH-LLVKDONJSA-N 1 2 317.260 3.473 20 10 DGCDLO CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093770356 662359879 /nfs/dbraw/zinc/35/98/79/662359879.db2.gz CBAQLFWXWCPESH-LLVKDONJSA-N 1 2 317.260 3.473 20 10 DGCDLO CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093770356 662359882 /nfs/dbraw/zinc/35/98/82/662359882.db2.gz CBAQLFWXWCPESH-LLVKDONJSA-N 1 2 317.260 3.473 20 10 DGCDLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)c(C)n1-c1cccc(C)c1 ZINC000172991243 685103966 /nfs/dbraw/zinc/10/39/66/685103966.db2.gz FDJVBRSPZKVDCH-UHFFFAOYSA-N 1 2 322.412 3.098 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1 ZINC000393502446 685217846 /nfs/dbraw/zinc/21/78/46/685217846.db2.gz KCYYSADOUOTTKJ-UHFFFAOYSA-N 1 2 306.841 3.210 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCN1Cc2ccccc2C1 ZINC001620749908 1192081654 /nfs/dbraw/zinc/08/16/54/1192081654.db2.gz VWDXKCPIAFZYPP-UHFFFAOYSA-N 1 2 320.795 3.290 20 10 DGCDLO Cc1cn2cc(NC(=O)c3ccc(N=NC(N)=O)cc3)ccc2[nH+]1 ZINC001584023675 1192174088 /nfs/dbraw/zinc/17/40/88/1192174088.db2.gz UPGJMDPLYXVNLQ-UHFFFAOYSA-N 1 2 322.328 3.057 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)c1ccsc1 ZINC001589952361 1192477716 /nfs/dbraw/zinc/47/77/16/1192477716.db2.gz NNQAIDJNEPMGTL-UWVGGRQHSA-N 1 2 315.402 3.046 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCC(F)F ZINC001332796220 1178499938 /nfs/dbraw/zinc/49/99/38/1178499938.db2.gz BQQKRGZEJAQILR-UHFFFAOYSA-N 1 2 312.129 3.429 20 10 DGCDLO O=C(C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1)C(F)(F)F ZINC001334358300 1178753529 /nfs/dbraw/zinc/75/35/29/1178753529.db2.gz JMRUVHSNGASOAL-UHFFFAOYSA-N 1 2 323.261 3.014 20 10 DGCDLO CN(CCC[N@H+](C)Cc1cc(F)cc(F)c1O)Cc1ccco1 ZINC001621319576 1193027583 /nfs/dbraw/zinc/02/75/83/1193027583.db2.gz HXPWPSGDWZERLL-UHFFFAOYSA-N 1 2 324.371 3.217 20 10 DGCDLO CN(CCC[N@@H+](C)Cc1cc(F)cc(F)c1O)Cc1ccco1 ZINC001621319576 1193027585 /nfs/dbraw/zinc/02/75/85/1193027585.db2.gz HXPWPSGDWZERLL-UHFFFAOYSA-N 1 2 324.371 3.217 20 10 DGCDLO COC(=O)C[N@H+](CCC=C(C)C)Cc1cc(Cl)ccc1O ZINC001459685135 1182604177 /nfs/dbraw/zinc/60/41/77/1182604177.db2.gz KUMMAIYSSOIPKH-UHFFFAOYSA-N 1 2 311.809 3.377 20 10 DGCDLO COC(=O)C[N@@H+](CCC=C(C)C)Cc1cc(Cl)ccc1O ZINC001459685135 1182604181 /nfs/dbraw/zinc/60/41/81/1182604181.db2.gz KUMMAIYSSOIPKH-UHFFFAOYSA-N 1 2 311.809 3.377 20 10 DGCDLO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1O ZINC001474425660 1183919862 /nfs/dbraw/zinc/91/98/62/1183919862.db2.gz KMZWPMYMKUJTBW-UHFFFAOYSA-N 1 2 315.360 3.224 20 10 DGCDLO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1O ZINC001474425660 1183919867 /nfs/dbraw/zinc/91/98/67/1183919867.db2.gz KMZWPMYMKUJTBW-UHFFFAOYSA-N 1 2 315.360 3.224 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCc1cn2ccccc2n1 ZINC001620711767 1193793834 /nfs/dbraw/zinc/79/38/34/1193793834.db2.gz LIBQSTYZMKFDOP-UHFFFAOYSA-N 1 2 319.767 3.165 20 10 DGCDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001657743826 1196174940 /nfs/dbraw/zinc/17/49/40/1196174940.db2.gz BAQYLZAYKKOQGQ-LLVKDONJSA-N 1 2 305.324 3.454 20 10 DGCDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cc(F)cc(F)c1O ZINC001657743826 1196174941 /nfs/dbraw/zinc/17/49/41/1196174941.db2.gz BAQYLZAYKKOQGQ-LLVKDONJSA-N 1 2 305.324 3.454 20 10 DGCDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001658464775 1196260496 /nfs/dbraw/zinc/26/04/96/1196260496.db2.gz AQGJDNHDBQAHTQ-CYBMUJFWSA-N 1 2 315.360 3.223 20 10 DGCDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001658464775 1196260503 /nfs/dbraw/zinc/26/05/03/1196260503.db2.gz AQGJDNHDBQAHTQ-CYBMUJFWSA-N 1 2 315.360 3.223 20 10 DGCDLO CCC(CC)(C[NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)OC ZINC001658791409 1196301542 /nfs/dbraw/zinc/30/15/42/1196301542.db2.gz FCHYPEVSOLZHMW-UHFFFAOYSA-N 1 2 317.788 3.254 20 10 DGCDLO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001661421082 1196604358 /nfs/dbraw/zinc/60/43/58/1196604358.db2.gz SQWYDWLDAJYQDO-MEDUHNTESA-N 1 2 323.795 3.439 20 10 DGCDLO O=C(CC[NH2+]Cc1cc(Cl)cc(F)c1O)Nc1ccccc1 ZINC001661429089 1196605084 /nfs/dbraw/zinc/60/50/84/1196605084.db2.gz TVQWNWMADQVDMQ-UHFFFAOYSA-N 1 2 322.767 3.303 20 10 DGCDLO Oc1ccc(CNc2cc[nH+]c(OCc3ccccn3)c2)cc1O ZINC001169996911 1081820020 /nfs/dbraw/zinc/82/00/20/1081820020.db2.gz MBRRAHZZPRMQPF-UHFFFAOYSA-N 1 2 323.352 3.079 20 10 DGCDLO CN(C)c1cc(F)c(C[N@@H+]2CCc3cc(O)ccc3C2)cc1F ZINC001184398747 1084171094 /nfs/dbraw/zinc/17/10/94/1084171094.db2.gz NICPPOLSEPKOIQ-UHFFFAOYSA-N 1 2 318.367 3.295 20 10 DGCDLO CN(C)c1cc(F)c(C[N@H+]2CCc3cc(O)ccc3C2)cc1F ZINC001184398747 1084171099 /nfs/dbraw/zinc/17/10/99/1084171099.db2.gz NICPPOLSEPKOIQ-UHFFFAOYSA-N 1 2 318.367 3.295 20 10 DGCDLO Nc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cc1 ZINC001159227321 1088244100 /nfs/dbraw/zinc/24/41/00/1088244100.db2.gz IWQICOIRYPTPNG-UHFFFAOYSA-N 1 2 303.163 3.423 20 10 DGCDLO CCN(Cc1ccccc1O)c1nc(N2CCCC2)c(C)c[nH+]1 ZINC001154882362 1088807809 /nfs/dbraw/zinc/80/78/09/1088807809.db2.gz UVNVCGSAAJEGOJ-UHFFFAOYSA-N 1 2 312.417 3.117 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](F)C(=O)C2)c2ccccc21 ZINC001204234178 1090931693 /nfs/dbraw/zinc/93/16/93/1090931693.db2.gz XUMOZXUOJRQPLL-QGZVFWFLSA-N 1 2 314.404 3.409 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H](F)C(=O)C2)c2ccccc21 ZINC001204234178 1090931697 /nfs/dbraw/zinc/93/16/97/1090931697.db2.gz XUMOZXUOJRQPLL-QGZVFWFLSA-N 1 2 314.404 3.409 20 10 DGCDLO C[C@]1([NH3+])CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001205287912 1091165778 /nfs/dbraw/zinc/16/57/78/1091165778.db2.gz DAEMFOWVXDYGLY-AWEZNQCLSA-N 1 2 303.233 3.402 20 10 DGCDLO C[C@]1([NH3+])CCC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001205287912 1091165781 /nfs/dbraw/zinc/16/57/81/1091165781.db2.gz DAEMFOWVXDYGLY-AWEZNQCLSA-N 1 2 303.233 3.402 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCC[C@@H](C)C1 ZINC001139126242 1091456279 /nfs/dbraw/zinc/45/62/79/1091456279.db2.gz CKDPCBOKYUEXDU-GFCCVEGCSA-N 1 2 301.386 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCC[C@@H](C)C1 ZINC001139126242 1091456285 /nfs/dbraw/zinc/45/62/85/1091456285.db2.gz CKDPCBOKYUEXDU-GFCCVEGCSA-N 1 2 301.386 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001139124533 1091457089 /nfs/dbraw/zinc/45/70/89/1091457089.db2.gz BTWFWOOMRVRSOP-KBPBESRZSA-N 1 2 313.397 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001139124533 1091457093 /nfs/dbraw/zinc/45/70/93/1091457093.db2.gz BTWFWOOMRVRSOP-KBPBESRZSA-N 1 2 313.397 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001139129534 1091459156 /nfs/dbraw/zinc/45/91/56/1091459156.db2.gz ALEGHRLJYHKNHQ-TXEJJXNPSA-N 1 2 301.386 3.285 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001139129534 1091459160 /nfs/dbraw/zinc/45/91/60/1091459160.db2.gz ALEGHRLJYHKNHQ-TXEJJXNPSA-N 1 2 301.386 3.285 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)CC1CC(F)(F)C1 ZINC001139129567 1091459972 /nfs/dbraw/zinc/45/99/72/1091459972.db2.gz ANFOTAYKFZKZNT-UHFFFAOYSA-N 1 2 323.339 3.284 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)CC1CC(F)(F)C1 ZINC001139129567 1091459975 /nfs/dbraw/zinc/45/99/75/1091459975.db2.gz ANFOTAYKFZKZNT-UHFFFAOYSA-N 1 2 323.339 3.284 20 10 DGCDLO CCOc1ccc(N2CC[NH+](Cc3ncc(C)s3)CC2)cc1 ZINC001139812169 1091676307 /nfs/dbraw/zinc/67/63/07/1091676307.db2.gz KVTYKNCJANFIAR-UHFFFAOYSA-N 1 2 317.458 3.172 20 10 DGCDLO O=c1cc[nH]c2cc(C[NH2+]Cc3cccc(Cl)c3O)ccc12 ZINC001206589512 1091681709 /nfs/dbraw/zinc/68/17/09/1091681709.db2.gz GDTDFLQBDCPGJG-UHFFFAOYSA-N 1 2 314.772 3.177 20 10 DGCDLO CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140465841 1091878002 /nfs/dbraw/zinc/87/80/02/1091878002.db2.gz RTLUVMQJVFELMS-BXUZGUMPSA-N 1 2 311.809 3.209 20 10 DGCDLO CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140465841 1091878011 /nfs/dbraw/zinc/87/80/11/1091878011.db2.gz RTLUVMQJVFELMS-BXUZGUMPSA-N 1 2 311.809 3.209 20 10 DGCDLO COc1cccc(CC[N@H+](C)Cc2c(O)cc(F)cc2F)c1 ZINC001140583546 1091919914 /nfs/dbraw/zinc/91/99/14/1091919914.db2.gz KQQGHJQXOJTKKE-UHFFFAOYSA-N 1 2 307.340 3.354 20 10 DGCDLO COc1cccc(CC[N@@H+](C)Cc2c(O)cc(F)cc2F)c1 ZINC001140583546 1091919920 /nfs/dbraw/zinc/91/99/20/1091919920.db2.gz KQQGHJQXOJTKKE-UHFFFAOYSA-N 1 2 307.340 3.354 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001140583106 1091919965 /nfs/dbraw/zinc/91/99/65/1091919965.db2.gz WGRJUOUEHGHSSI-LBPRGKRZSA-N 1 2 313.241 3.394 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001140583106 1091919971 /nfs/dbraw/zinc/91/99/71/1091919971.db2.gz WGRJUOUEHGHSSI-LBPRGKRZSA-N 1 2 313.241 3.394 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001140585272 1091921762 /nfs/dbraw/zinc/92/17/62/1091921762.db2.gz CNNCOWYEQWHJBA-AWEZNQCLSA-N 1 2 323.314 3.463 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001140585272 1091921765 /nfs/dbraw/zinc/92/17/65/1091921765.db2.gz CNNCOWYEQWHJBA-AWEZNQCLSA-N 1 2 323.314 3.463 20 10 DGCDLO COc1cc(F)c(C[N@@H+]2CCc3cccc(O)c3C2)c(F)c1 ZINC001140828435 1092020982 /nfs/dbraw/zinc/02/09/82/1092020982.db2.gz UKRSGOIERNRFIY-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1cc(F)c(C[N@H+]2CCc3cccc(O)c3C2)c(F)c1 ZINC001140828435 1092020993 /nfs/dbraw/zinc/02/09/93/1092020993.db2.gz UKRSGOIERNRFIY-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO CN(C)c1[nH+]ccc2cc(NC(=O)C3=CC(=O)CS3)ccc21 ZINC001298099505 1092031386 /nfs/dbraw/zinc/03/13/86/1092031386.db2.gz QRACPUCCHHUZJT-UHFFFAOYSA-N 1 2 313.382 3.320 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2Cc3ccc(F)cc3C2)c(OC)c1 ZINC001141028072 1092110796 /nfs/dbraw/zinc/11/07/96/1092110796.db2.gz AEAMLYCXNJTCIH-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO COc1cc(O)c(C[N@H+]2Cc3ccc(F)cc3C2)c(OC)c1 ZINC001141028072 1092110805 /nfs/dbraw/zinc/11/08/05/1092110805.db2.gz AEAMLYCXNJTCIH-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC001142530690 1092494141 /nfs/dbraw/zinc/49/41/41/1092494141.db2.gz KCCZJCXIJUEDSR-UHFFFAOYSA-N 1 2 322.330 3.132 20 10 DGCDLO CC(C)(C)c1cccc(C[NH+]2CC3(C2)CC(F)(F)CO3)c1O ZINC001143111556 1092616427 /nfs/dbraw/zinc/61/64/27/1092616427.db2.gz CPGXITHURLGVDZ-UHFFFAOYSA-N 1 2 311.372 3.300 20 10 DGCDLO CCCN(Cc1ccccc1O)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001149880698 1092739644 /nfs/dbraw/zinc/73/96/44/1092739644.db2.gz PQPLWEIEXSLEER-UHFFFAOYSA-N 1 2 309.369 3.321 20 10 DGCDLO Oc1cccc(-c2nc(-c3ccccc3-n3cc[nH+]c3)no2)c1O ZINC001215145860 1093926858 /nfs/dbraw/zinc/92/68/58/1093926858.db2.gz NLCMMDGMFJYPAR-UHFFFAOYSA-N 1 2 320.308 3.001 20 10 DGCDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000403832689 1094187514 /nfs/dbraw/zinc/18/75/14/1094187514.db2.gz NTOOTRJVJUETAP-AWEZNQCLSA-N 1 2 309.381 3.123 20 10 DGCDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000403832689 1094187516 /nfs/dbraw/zinc/18/75/16/1094187516.db2.gz NTOOTRJVJUETAP-AWEZNQCLSA-N 1 2 309.381 3.123 20 10 DGCDLO Oc1c(F)cc(Cl)cc1CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222277371 1095526729 /nfs/dbraw/zinc/52/67/29/1095526729.db2.gz MLPGUKAHGJBXEB-INIZCTEOSA-N 1 2 312.816 3.150 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001144300191 1095596679 /nfs/dbraw/zinc/59/66/79/1095596679.db2.gz WGTSKSCFXXKPOD-OVYXKVPISA-N 1 2 318.161 3.226 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001144300191 1095596688 /nfs/dbraw/zinc/59/66/88/1095596688.db2.gz WGTSKSCFXXKPOD-OVYXKVPISA-N 1 2 318.161 3.226 20 10 DGCDLO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1F ZINC001137841808 1095757655 /nfs/dbraw/zinc/75/76/55/1095757655.db2.gz VYRBVHYSXKOWDI-INIZCTEOSA-N 1 2 314.360 3.134 20 10 DGCDLO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1F ZINC001137841808 1095757669 /nfs/dbraw/zinc/75/76/69/1095757669.db2.gz VYRBVHYSXKOWDI-INIZCTEOSA-N 1 2 314.360 3.134 20 10 DGCDLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1F ZINC001137837559 1095759218 /nfs/dbraw/zinc/75/92/18/1095759218.db2.gz LUUYTQPTTRJENK-AWEZNQCLSA-N 1 2 309.381 3.228 20 10 DGCDLO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1F ZINC001137837559 1095759231 /nfs/dbraw/zinc/75/92/31/1095759231.db2.gz LUUYTQPTTRJENK-AWEZNQCLSA-N 1 2 309.381 3.228 20 10 DGCDLO C[C@@H](c1ccccc1)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137839250 1095760112 /nfs/dbraw/zinc/76/01/12/1095760112.db2.gz YJBAFUQDGYNQOF-HNNXBMFYSA-N 1 2 314.404 3.410 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCO[C@](C)(C(F)F)C2)cc1 ZINC001118674090 1096053194 /nfs/dbraw/zinc/05/31/94/1096053194.db2.gz IMXSCMXRMBYBSG-CHYADLBTSA-N 1 2 310.388 3.122 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCO[C@](C)(C(F)F)C2)cc1 ZINC001118674090 1096053202 /nfs/dbraw/zinc/05/32/02/1096053202.db2.gz IMXSCMXRMBYBSG-CHYADLBTSA-N 1 2 310.388 3.122 20 10 DGCDLO COc1c(F)ccc(F)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001231414220 1097744540 /nfs/dbraw/zinc/74/45/40/1097744540.db2.gz KHCBRDXQGRHIQQ-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1c(F)ccc(F)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001231414220 1097744543 /nfs/dbraw/zinc/74/45/43/1097744543.db2.gz KHCBRDXQGRHIQQ-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1ccc(Cl)c(O)c1)CCC2 ZINC001231736309 1097827922 /nfs/dbraw/zinc/82/79/22/1097827922.db2.gz HLDAQPRZXBUOMO-UHFFFAOYSA-N 1 2 319.788 3.405 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1ccc(Cl)c(O)c1)CCC2 ZINC001231736309 1097827929 /nfs/dbraw/zinc/82/79/29/1097827929.db2.gz HLDAQPRZXBUOMO-UHFFFAOYSA-N 1 2 319.788 3.405 20 10 DGCDLO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231912343 1097889564 /nfs/dbraw/zinc/88/95/64/1097889564.db2.gz FGLWLSRRFLSSES-CYBMUJFWSA-N 1 2 311.809 3.211 20 10 DGCDLO CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231912343 1097889577 /nfs/dbraw/zinc/88/95/77/1097889577.db2.gz FGLWLSRRFLSSES-CYBMUJFWSA-N 1 2 311.809 3.211 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ncccn2)cc1Cl ZINC001232271512 1097989088 /nfs/dbraw/zinc/98/90/88/1097989088.db2.gz VNQKANSVHJNJGU-CYBMUJFWSA-N 1 2 319.792 3.181 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ncccn2)cc1Cl ZINC001232271512 1097989092 /nfs/dbraw/zinc/98/90/92/1097989092.db2.gz VNQKANSVHJNJGU-CYBMUJFWSA-N 1 2 319.792 3.181 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001233030525 1098206455 /nfs/dbraw/zinc/20/64/55/1098206455.db2.gz WSPABNNGEYZDQO-PELKAZGASA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001233030525 1098206461 /nfs/dbraw/zinc/20/64/61/1098206461.db2.gz WSPABNNGEYZDQO-PELKAZGASA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[NH+]1CC2CC(C2)C1 ZINC001233030089 1098207240 /nfs/dbraw/zinc/20/72/40/1098207240.db2.gz MREWXXHXTFSOPA-UHFFFAOYSA-N 1 2 300.171 3.136 20 10 DGCDLO Cc1ccc(N2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)cc1 ZINC001233073852 1098219148 /nfs/dbraw/zinc/21/91/48/1098219148.db2.gz FKDZTIGYCHOKNL-UHFFFAOYSA-N 1 2 318.367 3.301 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@@H](OCc3ccccc3)C2)ccc(F)c1F ZINC001233077835 1098220581 /nfs/dbraw/zinc/22/05/81/1098220581.db2.gz ZGPWWZNGGSSKTA-OAHLLOKOSA-N 1 2 319.351 3.462 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)ccc(F)c1F ZINC001233077835 1098220583 /nfs/dbraw/zinc/22/05/83/1098220583.db2.gz ZGPWWZNGGSSKTA-OAHLLOKOSA-N 1 2 319.351 3.462 20 10 DGCDLO O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233078656 1098221452 /nfs/dbraw/zinc/22/14/52/1098221452.db2.gz CZTPDKSFFLMVPP-AWEZNQCLSA-N 1 2 317.335 3.375 20 10 DGCDLO O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001233078656 1098221456 /nfs/dbraw/zinc/22/14/56/1098221456.db2.gz CZTPDKSFFLMVPP-AWEZNQCLSA-N 1 2 317.335 3.375 20 10 DGCDLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC001233110362 1098228059 /nfs/dbraw/zinc/22/80/59/1098228059.db2.gz BRGHIRDZILPVNU-ZDUSSCGKSA-N 1 2 312.207 3.017 20 10 DGCDLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC001233110362 1098228063 /nfs/dbraw/zinc/22/80/63/1098228063.db2.gz BRGHIRDZILPVNU-ZDUSSCGKSA-N 1 2 312.207 3.017 20 10 DGCDLO C[N@H+](Cc1nnc2ccccn21)Cc1cc(C(C)(C)C)ccc1O ZINC001233283933 1098274441 /nfs/dbraw/zinc/27/44/41/1098274441.db2.gz BHITXSHNDVLZMT-UHFFFAOYSA-N 1 2 324.428 3.364 20 10 DGCDLO C[N@@H+](Cc1nnc2ccccn21)Cc1cc(C(C)(C)C)ccc1O ZINC001233283933 1098274446 /nfs/dbraw/zinc/27/44/46/1098274446.db2.gz BHITXSHNDVLZMT-UHFFFAOYSA-N 1 2 324.428 3.364 20 10 DGCDLO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC001233286599 1098276577 /nfs/dbraw/zinc/27/65/77/1098276577.db2.gz AKQDSUFJZQVBBF-CQSZACIVSA-N 1 2 317.351 3.453 20 10 DGCDLO CC(C)(C)c1ccc(O)c(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC001233286599 1098276583 /nfs/dbraw/zinc/27/65/83/1098276583.db2.gz AKQDSUFJZQVBBF-CQSZACIVSA-N 1 2 317.351 3.453 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2ncccn2)c1O ZINC001233290879 1098277918 /nfs/dbraw/zinc/27/79/18/1098277918.db2.gz AYFPXHHOJLXJJI-CYBMUJFWSA-N 1 2 319.792 3.181 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2ncccn2)c1O ZINC001233290879 1098277922 /nfs/dbraw/zinc/27/79/22/1098277922.db2.gz AYFPXHHOJLXJJI-CYBMUJFWSA-N 1 2 319.792 3.181 20 10 DGCDLO CCCCOC1C[NH+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233755405 1098423351 /nfs/dbraw/zinc/42/33/51/1098423351.db2.gz UGEYLZSXJLGWJZ-UHFFFAOYSA-N 1 2 319.323 3.292 20 10 DGCDLO C[N@H+](Cc1nccs1)Cc1cccc(OC(F)(F)F)c1O ZINC001233768400 1098427576 /nfs/dbraw/zinc/42/75/76/1098427576.db2.gz QFPGBGKBHMDSQL-UHFFFAOYSA-N 1 2 318.320 3.379 20 10 DGCDLO C[N@@H+](Cc1nccs1)Cc1cccc(OC(F)(F)F)c1O ZINC001233768400 1098427579 /nfs/dbraw/zinc/42/75/79/1098427579.db2.gz QFPGBGKBHMDSQL-UHFFFAOYSA-N 1 2 318.320 3.379 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCOc1ccccc1F ZINC001177167098 1098480460 /nfs/dbraw/zinc/48/04/60/1098480460.db2.gz YOVZFIBWUHEEDU-UHFFFAOYSA-N 1 2 313.731 3.492 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCCCC12C[NH2+]C2 ZINC001235104605 1098805669 /nfs/dbraw/zinc/80/56/69/1098805669.db2.gz UCCCYMOOMMHHHM-UHFFFAOYSA-N 1 2 301.217 3.027 20 10 DGCDLO CC1(C)[C@@H]2C[N@@H+](Cc3cc(F)cc(Br)c3O)C[C@@H]21 ZINC001235303673 1098951358 /nfs/dbraw/zinc/95/13/58/1098951358.db2.gz QATRTDVOAAUHII-PHIMTYICSA-N 1 2 314.198 3.382 20 10 DGCDLO CC1(C)[C@@H]2C[N@H+](Cc3cc(F)cc(Br)c3O)C[C@@H]21 ZINC001235303673 1098951361 /nfs/dbraw/zinc/95/13/61/1098951361.db2.gz QATRTDVOAAUHII-PHIMTYICSA-N 1 2 314.198 3.382 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1noc2cc(F)ccc12 ZINC001179429531 1099091747 /nfs/dbraw/zinc/09/17/47/1099091747.db2.gz DPGWRLCYDRQQEL-UHFFFAOYSA-N 1 2 308.259 3.241 20 10 DGCDLO Oc1c(Cl)cccc1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235854006 1099214728 /nfs/dbraw/zinc/21/47/28/1099214728.db2.gz DGYUTQVZHYURRZ-MRXNPFEDSA-N 1 2 302.805 3.192 20 10 DGCDLO O=C1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CN1C1CCCCC1 ZINC001180699349 1099494495 /nfs/dbraw/zinc/49/44/95/1099494495.db2.gz ZBIYHIPRVZHKKB-CYBMUJFWSA-N 1 2 322.836 3.069 20 10 DGCDLO [O-]c1c(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cccc1C(F)(F)F ZINC001236240453 1099494968 /nfs/dbraw/zinc/49/49/68/1099494968.db2.gz LXVBEGHJQDTXCC-CYBMUJFWSA-N 1 2 314.351 3.127 20 10 DGCDLO [O-]c1c(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cccc1C(F)(F)F ZINC001236240453 1099494972 /nfs/dbraw/zinc/49/49/72/1099494972.db2.gz LXVBEGHJQDTXCC-CYBMUJFWSA-N 1 2 314.351 3.127 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCCC(=O)CC2)c1 ZINC001236667444 1099734005 /nfs/dbraw/zinc/73/40/05/1099734005.db2.gz WLNCVFYOSLEHIA-UHFFFAOYSA-N 1 2 312.207 3.018 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCCC(=O)CC2)c1 ZINC001236667444 1099734011 /nfs/dbraw/zinc/73/40/11/1099734011.db2.gz WLNCVFYOSLEHIA-UHFFFAOYSA-N 1 2 312.207 3.018 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCc3ncsc3C2)c(Cl)c1 ZINC001236802829 1099795837 /nfs/dbraw/zinc/79/58/37/1099795837.db2.gz KSBMLMCLYMSONB-UHFFFAOYSA-N 1 2 310.806 3.069 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCc3ncsc3C2)c(Cl)c1 ZINC001236802829 1099795847 /nfs/dbraw/zinc/79/58/47/1099795847.db2.gz KSBMLMCLYMSONB-UHFFFAOYSA-N 1 2 310.806 3.069 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2ncccn2)c(Cl)c1 ZINC001236806295 1099799149 /nfs/dbraw/zinc/79/91/49/1099799149.db2.gz UGFVEMLSERPWBS-CQSZACIVSA-N 1 2 319.792 3.181 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ncccn2)c(Cl)c1 ZINC001236806295 1099799153 /nfs/dbraw/zinc/79/91/53/1099799153.db2.gz UGFVEMLSERPWBS-CQSZACIVSA-N 1 2 319.792 3.181 20 10 DGCDLO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(O)c1Cl ZINC001236807836 1099800103 /nfs/dbraw/zinc/80/01/03/1099800103.db2.gz SQVKWOFESYYASY-MRXNPFEDSA-N 1 2 311.809 3.057 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c(O)c1Cl ZINC001236807836 1099800125 /nfs/dbraw/zinc/80/01/25/1099800125.db2.gz SQVKWOFESYYASY-MRXNPFEDSA-N 1 2 311.809 3.057 20 10 DGCDLO CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)c(O)c1 ZINC001237050071 1099944553 /nfs/dbraw/zinc/94/45/53/1099944553.db2.gz XFDFUXVXFNYDCV-KCQAQPDRSA-N 1 2 315.335 3.420 20 10 DGCDLO CC(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)c(O)c1 ZINC001237050071 1099944562 /nfs/dbraw/zinc/94/45/62/1099944562.db2.gz XFDFUXVXFNYDCV-KCQAQPDRSA-N 1 2 315.335 3.420 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@]1(C)O ZINC001237618417 1100189357 /nfs/dbraw/zinc/18/93/57/1100189357.db2.gz ZZMBQUXQPCYQQQ-BONVTDFDSA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@]1(C)O ZINC001237618417 1100189364 /nfs/dbraw/zinc/18/93/64/1100189364.db2.gz ZZMBQUXQPCYQQQ-BONVTDFDSA-N 1 2 301.789 3.168 20 10 DGCDLO Cc1cc(O)c(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC001237675969 1100210399 /nfs/dbraw/zinc/21/03/99/1100210399.db2.gz DHQOIDWHVADTKF-GHMZBOCLSA-N 1 2 314.223 3.072 20 10 DGCDLO COc1cc(C[N@@H+]2Cc3ccc(F)cc3C2)c(O)c(OC)c1 ZINC001237678116 1100212801 /nfs/dbraw/zinc/21/28/01/1100212801.db2.gz KIKYVKWKLZPCNW-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO COc1cc(C[N@H+]2Cc3ccc(F)cc3C2)c(O)c(OC)c1 ZINC001237678116 1100212807 /nfs/dbraw/zinc/21/28/07/1100212807.db2.gz KIKYVKWKLZPCNW-UHFFFAOYSA-N 1 2 303.333 3.064 20 10 DGCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001237938224 1100299156 /nfs/dbraw/zinc/29/91/56/1100299156.db2.gz ZHPQFIKKALAHQK-CQSZACIVSA-N 1 2 307.756 3.312 20 10 DGCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001237938224 1100299162 /nfs/dbraw/zinc/29/91/62/1100299162.db2.gz ZHPQFIKKALAHQK-CQSZACIVSA-N 1 2 307.756 3.312 20 10 DGCDLO Cc1cc(-c2cccc3c2ccn3C)c[nH+]c1N1CCOCC1 ZINC001241822434 1101728754 /nfs/dbraw/zinc/72/87/54/1101728754.db2.gz VTQBJZMPEQEAFL-UHFFFAOYSA-N 1 2 307.397 3.385 20 10 DGCDLO CC[C@H]1COCC[N@@H+]1Cc1cc(C)c(Br)cc1O ZINC001250134204 1105450859 /nfs/dbraw/zinc/45/08/59/1105450859.db2.gz XKPFIXZOUFOJRS-LBPRGKRZSA-N 1 2 314.223 3.074 20 10 DGCDLO CC[C@H]1COCC[N@H+]1Cc1cc(C)c(Br)cc1O ZINC001250134204 1105450865 /nfs/dbraw/zinc/45/08/65/1105450865.db2.gz XKPFIXZOUFOJRS-LBPRGKRZSA-N 1 2 314.223 3.074 20 10 DGCDLO Cc1nc2ccccn2c1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001308547303 1111441106 /nfs/dbraw/zinc/44/11/06/1111441106.db2.gz WPNFCPQTRZWAAS-UHFFFAOYSA-N 1 2 319.767 3.431 20 10 DGCDLO C[C@@H](c1ccccc1)[N@H+](Cc1ncnn1C)Cc1ccccc1O ZINC000179646493 432065714 /nfs/dbraw/zinc/06/57/14/432065714.db2.gz BEFOAGDONRMQNL-HNNXBMFYSA-N 1 2 322.412 3.284 20 10 DGCDLO C[C@@H](c1ccccc1)[N@@H+](Cc1ncnn1C)Cc1ccccc1O ZINC000179646493 432065718 /nfs/dbraw/zinc/06/57/18/432065718.db2.gz BEFOAGDONRMQNL-HNNXBMFYSA-N 1 2 322.412 3.284 20 10 DGCDLO Cc1noc(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC000179756263 432070399 /nfs/dbraw/zinc/07/03/99/432070399.db2.gz RDYYCEZDAQJLOP-UHFFFAOYSA-N 1 2 307.781 3.117 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(F)c(F)c1O ZINC000276972999 299310994 /nfs/dbraw/zinc/31/09/94/299310994.db2.gz ULSZQIZZWAPDOX-WDEREUQCSA-N 1 2 313.344 3.007 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)c1nncn1C ZINC000278664989 299344884 /nfs/dbraw/zinc/34/48/84/299344884.db2.gz IXRGPURGAWVBAL-YUMQZZPRSA-N 1 2 315.204 3.239 20 10 DGCDLO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1O ZINC000187700199 296126720 /nfs/dbraw/zinc/12/67/20/296126720.db2.gz NSOTXMGQQLMIHF-SNVBAGLBSA-N 1 2 322.311 3.472 20 10 DGCDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000093413077 193245906 /nfs/dbraw/zinc/24/59/06/193245906.db2.gz VJQVJWPHKKCARB-QGZVFWFLSA-N 1 2 324.472 3.026 20 10 DGCDLO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2c2ccc(C)o2)c1 ZINC000093460043 193255271 /nfs/dbraw/zinc/25/52/71/193255271.db2.gz DRPLYWZTWPHBJV-MRXNPFEDSA-N 1 2 317.385 3.266 20 10 DGCDLO CCOc1ccc(O)c(C[N@H+]2CCOC[C@@H]2c2ccc(C)o2)c1 ZINC000093460043 193255273 /nfs/dbraw/zinc/25/52/73/193255273.db2.gz DRPLYWZTWPHBJV-MRXNPFEDSA-N 1 2 317.385 3.266 20 10 DGCDLO CCc1noc(CC)c1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273604012 130142766 /nfs/dbraw/zinc/14/27/66/130142766.db2.gz SODYCJPMUAYXSF-JTQLQIEISA-N 1 2 319.361 3.264 20 10 DGCDLO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)c1ncn(C)n1 ZINC000275789632 130385992 /nfs/dbraw/zinc/38/59/92/130385992.db2.gz XANCGFKWSWPGCP-HUUCEWRRSA-N 1 2 313.449 3.217 20 10 DGCDLO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1O ZINC000276858223 130553483 /nfs/dbraw/zinc/55/34/83/130553483.db2.gz CFIHLWBCGZELHX-JTQLQIEISA-N 1 2 322.311 3.472 20 10 DGCDLO CC[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc(Cl)c1O ZINC000287677335 131294141 /nfs/dbraw/zinc/29/41/41/131294141.db2.gz MLKVMVIBZGABNX-SWLSCSKDSA-N 1 2 313.825 3.282 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289220302 131366694 /nfs/dbraw/zinc/36/66/94/131366694.db2.gz CLNQQGHMJJMSLD-ZDUSSCGKSA-N 1 2 323.742 3.325 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289220302 131366695 /nfs/dbraw/zinc/36/66/95/131366695.db2.gz CLNQQGHMJJMSLD-ZDUSSCGKSA-N 1 2 323.742 3.325 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC3(CCCC3)OC[C@H]2C)c1O ZINC000852637022 620635972 /nfs/dbraw/zinc/63/59/72/620635972.db2.gz AQYADLOZDKPWJU-GFCCVEGCSA-N 1 2 321.392 3.267 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC3(CCCC3)OC[C@H]2C)c1O ZINC000852637022 620635975 /nfs/dbraw/zinc/63/59/75/620635975.db2.gz AQYADLOZDKPWJU-GFCCVEGCSA-N 1 2 321.392 3.267 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC3(CCCC3)OC[C@@H]2C)c1O ZINC000852637024 620636340 /nfs/dbraw/zinc/63/63/40/620636340.db2.gz AQYADLOZDKPWJU-LBPRGKRZSA-N 1 2 321.392 3.267 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC3(CCCC3)OC[C@@H]2C)c1O ZINC000852637024 620636343 /nfs/dbraw/zinc/63/63/43/620636343.db2.gz AQYADLOZDKPWJU-LBPRGKRZSA-N 1 2 321.392 3.267 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1O ZINC000287643180 288072674 /nfs/dbraw/zinc/07/26/74/288072674.db2.gz KYHFFAYWNOVYQD-RISCZKNCSA-N 1 2 320.824 3.001 20 10 DGCDLO Cc1cc([NH+](C)C)ccc1NCc1cc2c(cc1O)OCO2 ZINC000120130136 431721622 /nfs/dbraw/zinc/72/16/22/431721622.db2.gz MTFKOQLFHGIFFH-UHFFFAOYSA-N 1 2 300.358 3.107 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820374 431916959 /nfs/dbraw/zinc/91/69/59/431916959.db2.gz QVRLNLPNSGWLDN-CQSZACIVSA-N 1 2 302.201 3.311 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820374 431916961 /nfs/dbraw/zinc/91/69/61/431916961.db2.gz QVRLNLPNSGWLDN-CQSZACIVSA-N 1 2 302.201 3.311 20 10 DGCDLO COc1ccc2c(c1)CCCC[N@H+]2CCCc1nc(C)no1 ZINC000270840643 432296423 /nfs/dbraw/zinc/29/64/23/432296423.db2.gz FVJGOQDEGHANFB-UHFFFAOYSA-N 1 2 301.390 3.162 20 10 DGCDLO COc1ccc2c(c1)CCCC[N@@H+]2CCCc1nc(C)no1 ZINC000270840643 432296426 /nfs/dbraw/zinc/29/64/26/432296426.db2.gz FVJGOQDEGHANFB-UHFFFAOYSA-N 1 2 301.390 3.162 20 10 DGCDLO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185467951 432502514 /nfs/dbraw/zinc/50/25/14/432502514.db2.gz UCOQDIBQYRGDGB-LKFCYVNXSA-N 1 2 322.232 3.137 20 10 DGCDLO Cc1n[nH]c(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)n1 ZINC000278637096 432898026 /nfs/dbraw/zinc/89/80/26/432898026.db2.gz HHQFMZMPQDGKRV-ZETCQYMHSA-N 1 2 315.204 3.019 20 10 DGCDLO Cc1nc(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)n[nH]1 ZINC000278637096 432898029 /nfs/dbraw/zinc/89/80/29/432898029.db2.gz HHQFMZMPQDGKRV-ZETCQYMHSA-N 1 2 315.204 3.019 20 10 DGCDLO Cc1nnc(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)[nH]1 ZINC000278637096 432898030 /nfs/dbraw/zinc/89/80/30/432898030.db2.gz HHQFMZMPQDGKRV-ZETCQYMHSA-N 1 2 315.204 3.019 20 10 DGCDLO C[C@]1(O)CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000279643043 432988761 /nfs/dbraw/zinc/98/87/61/432988761.db2.gz JMPHQVVWWQVAFK-AWEZNQCLSA-N 1 2 304.217 3.436 20 10 DGCDLO C[C@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000279643043 432988763 /nfs/dbraw/zinc/98/87/63/432988763.db2.gz JMPHQVVWWQVAFK-AWEZNQCLSA-N 1 2 304.217 3.436 20 10 DGCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)no1 ZINC000290200343 433011376 /nfs/dbraw/zinc/01/13/76/433011376.db2.gz PCAOBAVCMGTDHM-VXGBXAGGSA-N 1 2 305.378 3.032 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CCCO1 ZINC000281226235 433273767 /nfs/dbraw/zinc/27/37/67/433273767.db2.gz BZBGRRKNLVABNR-AWEZNQCLSA-N 1 2 311.809 3.249 20 10 DGCDLO CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccccc1F ZINC000291766340 433340625 /nfs/dbraw/zinc/34/06/25/433340625.db2.gz SDCFZFRMIKKTAQ-UHFFFAOYSA-N 1 2 304.321 3.464 20 10 DGCDLO COC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000273447793 292843172 /nfs/dbraw/zinc/84/31/72/292843172.db2.gz FLNOIHAAEABZBF-MLGOLLRUSA-N 1 2 316.357 3.339 20 10 DGCDLO Cc1cc(N(C)C)ccc1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000301822304 433741618 /nfs/dbraw/zinc/74/16/18/433741618.db2.gz KOYQVEVLKADRRH-UHFFFAOYSA-N 1 2 311.433 3.285 20 10 DGCDLO Cc1cc(N(C)C)ccc1CNc1cc(NCC2CC2)nc[nH+]1 ZINC000301822304 433741625 /nfs/dbraw/zinc/74/16/25/433741625.db2.gz KOYQVEVLKADRRH-UHFFFAOYSA-N 1 2 311.433 3.285 20 10 DGCDLO CC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cccc(Cl)c1O ZINC000287755859 434442936 /nfs/dbraw/zinc/44/29/36/434442936.db2.gz QOMACJDKSGVESW-ZYHUDNBSSA-N 1 2 311.731 3.400 20 10 DGCDLO c1nc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)no1 ZINC000371376415 434682022 /nfs/dbraw/zinc/68/20/22/434682022.db2.gz YKDLFUHBEWMARD-KRWDZBQOSA-N 1 2 312.417 3.397 20 10 DGCDLO c1nc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)no1 ZINC000371376415 434682024 /nfs/dbraw/zinc/68/20/24/434682024.db2.gz YKDLFUHBEWMARD-KRWDZBQOSA-N 1 2 312.417 3.397 20 10 DGCDLO CCn1cc[nH+]c1/C=C/C(=O)NCc1c(C)c2ccccc2n1C ZINC000492735802 435042449 /nfs/dbraw/zinc/04/24/49/435042449.db2.gz MVRWRCXDHLZSRZ-MDZDMXLPSA-N 1 2 322.412 3.033 20 10 DGCDLO CCc1noc(C)c1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000293676013 335114773 /nfs/dbraw/zinc/11/47/73/335114773.db2.gz JZEVFNNRLDZIDI-SECBINFHSA-N 1 2 305.334 3.010 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCOC(C)(C)C2)c1O ZINC000314217351 333094168 /nfs/dbraw/zinc/09/41/68/333094168.db2.gz AKYDCYQHSAVDJA-UHFFFAOYSA-N 1 2 311.809 3.249 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCOC(C)(C)C2)c1O ZINC000314217351 333094170 /nfs/dbraw/zinc/09/41/70/333094170.db2.gz AKYDCYQHSAVDJA-UHFFFAOYSA-N 1 2 311.809 3.249 20 10 DGCDLO CCC[N@H+](Cc1csc(NC(C)=O)n1)Cc1ccccc1O ZINC000266538850 521692949 /nfs/dbraw/zinc/69/29/49/521692949.db2.gz ICFKZZDVPNDYOP-UHFFFAOYSA-N 1 2 319.430 3.219 20 10 DGCDLO CCC[N@@H+](Cc1csc(NC(C)=O)n1)Cc1ccccc1O ZINC000266538850 521692953 /nfs/dbraw/zinc/69/29/53/521692953.db2.gz ICFKZZDVPNDYOP-UHFFFAOYSA-N 1 2 319.430 3.219 20 10 DGCDLO C[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1O ZINC000157253110 523552787 /nfs/dbraw/zinc/55/27/87/523552787.db2.gz QCBMEZJRVYVSTI-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccccc1O ZINC000157253110 523552795 /nfs/dbraw/zinc/55/27/95/523552795.db2.gz QCBMEZJRVYVSTI-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191212975 524800360 /nfs/dbraw/zinc/80/03/60/524800360.db2.gz PYANCCHYUOZAHV-QMTHXVAHSA-N 1 2 323.339 3.063 20 10 DGCDLO CN1C(=O)C2(CCCC2)[NH2+][C@H]1c1cc(-c2ccccc2)ccc1O ZINC000742438850 575000149 /nfs/dbraw/zinc/00/01/49/575000149.db2.gz GGIOFEBBKFWHOG-GOSISDBHSA-N 1 2 322.408 3.432 20 10 DGCDLO CCCCN1C(=O)C2(CCCCC2)[NH2+][C@H]1c1cc(F)ccc1O ZINC000742443759 575000420 /nfs/dbraw/zinc/00/04/20/575000420.db2.gz OHTORMXTZUYVML-MRXNPFEDSA-N 1 2 320.408 3.465 20 10 DGCDLO COc1ccc2c(c1)CCC[N@H+]2CCCOCC(F)(F)F ZINC000740873727 575229304 /nfs/dbraw/zinc/22/93/04/575229304.db2.gz YUOOWELIUNUMJI-UHFFFAOYSA-N 1 2 303.324 3.417 20 10 DGCDLO COc1ccc2c(c1)CCC[N@@H+]2CCCOCC(F)(F)F ZINC000740873727 575229305 /nfs/dbraw/zinc/22/93/05/575229305.db2.gz YUOOWELIUNUMJI-UHFFFAOYSA-N 1 2 303.324 3.417 20 10 DGCDLO CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000746756592 575473714 /nfs/dbraw/zinc/47/37/14/575473714.db2.gz UVWZBMSDXILOKQ-NEPJUHHUSA-N 1 2 314.223 3.202 20 10 DGCDLO Cc1ccc(C)n1-c1ccsc1C(=O)OCc1c[nH+]cn1C ZINC000747783809 575541422 /nfs/dbraw/zinc/54/14/22/575541422.db2.gz WNTOPECACGJWNC-UHFFFAOYSA-N 1 2 315.398 3.246 20 10 DGCDLO C[C@H](C[NH2+]Cc1cccc(Br)c1O)c1ccncc1 ZINC000749297234 575643184 /nfs/dbraw/zinc/64/31/84/575643184.db2.gz RYOOCHDQRMKFRG-LLVKDONJSA-N 1 2 321.218 3.443 20 10 DGCDLO CC/C=C(/C)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726562989 576030805 /nfs/dbraw/zinc/03/08/05/576030805.db2.gz UEPCMINRFZYDIK-RZNTYIFUSA-N 1 2 302.418 3.137 20 10 DGCDLO Cc1cc(CC(=O)OCCn2cc[nH+]c2)c(C)n1-c1ccccc1 ZINC000853120076 620670927 /nfs/dbraw/zinc/67/09/27/620670927.db2.gz QLDZDFQBVBRPMH-UHFFFAOYSA-N 1 2 323.396 3.077 20 10 DGCDLO CCc1nc(NCc2cccc(Br)c2O)cc(C)[nH+]1 ZINC000804654391 617604251 /nfs/dbraw/zinc/60/42/51/617604251.db2.gz PGDCDKAORICURI-UHFFFAOYSA-N 1 2 322.206 3.428 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(Cl)c1[O-] ZINC000806159996 617618828 /nfs/dbraw/zinc/61/88/28/617618828.db2.gz DAOMWNQNGNLLSG-FZMZJTMJSA-N 1 2 305.809 3.298 20 10 DGCDLO CC[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cccc(Cl)c1O ZINC000806129438 617663062 /nfs/dbraw/zinc/66/30/62/617663062.db2.gz FZNYSJYDHSJNSS-HNNXBMFYSA-N 1 2 318.804 3.385 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000894882827 618486919 /nfs/dbraw/zinc/48/69/19/618486919.db2.gz LSALFFCBTJVNGU-GFCCVEGCSA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000894882827 618486924 /nfs/dbraw/zinc/48/69/24/618486924.db2.gz LSALFFCBTJVNGU-GFCCVEGCSA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000894900926 618493896 /nfs/dbraw/zinc/49/38/96/618493896.db2.gz QDDZDQYGSAFLFS-ZBFHGGJFSA-N 1 2 323.383 3.452 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000894900926 618493897 /nfs/dbraw/zinc/49/38/97/618493897.db2.gz QDDZDQYGSAFLFS-ZBFHGGJFSA-N 1 2 323.383 3.452 20 10 DGCDLO COc1ccc(O)c(C[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c1 ZINC000840957272 618633864 /nfs/dbraw/zinc/63/38/64/618633864.db2.gz KPPZEJPJTFXHSP-LBPRGKRZSA-N 1 2 321.417 3.095 20 10 DGCDLO COc1ccc(O)c(C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C2CC2)c1 ZINC000840957272 618633865 /nfs/dbraw/zinc/63/38/65/618633865.db2.gz KPPZEJPJTFXHSP-LBPRGKRZSA-N 1 2 321.417 3.095 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cc(CO)on2)cc1F ZINC000925014400 618764338 /nfs/dbraw/zinc/76/43/38/618764338.db2.gz QEMHKOVCKUUXLC-LBPRGKRZSA-N 1 2 321.396 3.003 20 10 DGCDLO Cn1ccc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000896494144 618920208 /nfs/dbraw/zinc/92/02/08/618920208.db2.gz ZSHGNHGWFNPQQV-LLVKDONJSA-N 1 2 323.799 3.298 20 10 DGCDLO Cn1ccc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000896494144 618920209 /nfs/dbraw/zinc/92/02/09/618920209.db2.gz ZSHGNHGWFNPQQV-LLVKDONJSA-N 1 2 323.799 3.298 20 10 DGCDLO Cn1nc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1C1CC1 ZINC000897231044 619033306 /nfs/dbraw/zinc/03/33/06/619033306.db2.gz SOGKGCAYLHZCEM-UHFFFAOYSA-N 1 2 309.772 3.085 20 10 DGCDLO COc1c(C)c[nH+]c(CN(C)c2ccc3c(c2)OCO3)c1C ZINC000121299569 619041651 /nfs/dbraw/zinc/04/16/51/619041651.db2.gz ALHALVGCPRARDC-UHFFFAOYSA-N 1 2 300.358 3.072 20 10 DGCDLO C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cc(F)cc(F)c1O ZINC000927108383 619266678 /nfs/dbraw/zinc/26/66/78/619266678.db2.gz NQCGNBADVMUBTG-VIFPVBQESA-N 1 2 307.344 3.132 20 10 DGCDLO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1cc(F)cc(F)c1O ZINC000903326703 619761646 /nfs/dbraw/zinc/76/16/46/619761646.db2.gz MUWKNKVFYZKIBL-LKFCYVNXSA-N 1 2 305.328 3.262 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2cn(C3CC3)nn2)cc1 ZINC000906253656 620076296 /nfs/dbraw/zinc/07/62/96/620076296.db2.gz ULTVRHBXYZTBFX-UHFFFAOYSA-N 1 2 313.449 3.091 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2cn(C3CC3)nn2)cc1 ZINC000906253656 620076298 /nfs/dbraw/zinc/07/62/98/620076298.db2.gz ULTVRHBXYZTBFX-UHFFFAOYSA-N 1 2 313.449 3.091 20 10 DGCDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc3c(c2)CCCO3)cs1 ZINC000921823996 620955900 /nfs/dbraw/zinc/95/59/00/620955900.db2.gz JVEDXCCXHQRKQV-GFCCVEGCSA-N 1 2 318.442 3.465 20 10 DGCDLO COC[C@@H](C[NH2+]Cc1cccc(Br)c1O)C(C)C ZINC000922949686 621136435 /nfs/dbraw/zinc/13/64/35/621136435.db2.gz PIRWGCDBKYXRTD-GFCCVEGCSA-N 1 2 316.239 3.163 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1cccc(Cl)c1O ZINC000858471148 621194839 /nfs/dbraw/zinc/19/48/39/621194839.db2.gz BMZVUXAIWIOJML-RISCZKNCSA-N 1 2 309.793 3.348 20 10 DGCDLO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000839147134 621332916 /nfs/dbraw/zinc/33/29/16/621332916.db2.gz DSFHFGZUFWOAPN-TXEJJXNPSA-N 1 2 314.223 3.200 20 10 DGCDLO Cc1ncsc1C[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862238858 621565334 /nfs/dbraw/zinc/56/53/34/621565334.db2.gz MPHGSUJEEWBGSU-UHFFFAOYSA-N 1 2 311.401 3.428 20 10 DGCDLO Cc1ncsc1C[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862238858 621565337 /nfs/dbraw/zinc/56/53/37/621565337.db2.gz MPHGSUJEEWBGSU-UHFFFAOYSA-N 1 2 311.401 3.428 20 10 DGCDLO CCn1cc(C[N@H+](C)Cc2c(O)cccc2Br)cn1 ZINC000862244941 621566860 /nfs/dbraw/zinc/56/68/60/621566860.db2.gz HYXAKIOXOJHVSB-UHFFFAOYSA-N 1 2 324.222 3.003 20 10 DGCDLO CCn1cc(C[N@@H+](C)Cc2c(O)cccc2Br)cn1 ZINC000862244941 621566861 /nfs/dbraw/zinc/56/68/61/621566861.db2.gz HYXAKIOXOJHVSB-UHFFFAOYSA-N 1 2 324.222 3.003 20 10 DGCDLO CN(C)c1cc(F)c(C[NH+]2CC(CC(F)(F)F)C2)cc1F ZINC000862389253 621582847 /nfs/dbraw/zinc/58/28/47/621582847.db2.gz ICHABDZFEGSQSI-UHFFFAOYSA-N 1 2 308.294 3.415 20 10 DGCDLO C[C@H]([NH2+]CCN(C)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000756448634 621639202 /nfs/dbraw/zinc/63/92/02/621639202.db2.gz DMDGHRNDIADNOR-ZDUSSCGKSA-N 1 2 320.383 3.453 20 10 DGCDLO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1cc(F)cc(F)c1O ZINC000756455071 621639509 /nfs/dbraw/zinc/63/95/09/621639509.db2.gz IOBFDBQQSYZHMJ-QMMMGPOBSA-N 1 2 309.341 3.230 20 10 DGCDLO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1cc(F)cc(F)c1O ZINC000756455070 621639632 /nfs/dbraw/zinc/63/96/32/621639632.db2.gz IOBFDBQQSYZHMJ-MRVPVSSYSA-N 1 2 309.341 3.230 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)CN1CCC[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000756460795 621639934 /nfs/dbraw/zinc/63/99/34/621639934.db2.gz SYFHVLYZZDDQNB-FRRDWIJNSA-N 1 2 312.404 3.441 20 10 DGCDLO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756461534 621640184 /nfs/dbraw/zinc/64/01/84/621640184.db2.gz UIBILNSCGGZCJT-BDJLRTHQSA-N 1 2 307.340 3.363 20 10 DGCDLO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756605664 621652343 /nfs/dbraw/zinc/65/23/43/621652343.db2.gz ULBZUUQNYVEZAD-GXTWGEPZSA-N 1 2 321.367 3.487 20 10 DGCDLO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756636301 621654465 /nfs/dbraw/zinc/65/44/65/621654465.db2.gz WSCURNSFWAEQOQ-AAEUAGOBSA-N 1 2 307.340 3.097 20 10 DGCDLO C[C@@H]([NH2+][C@H]1CCSC1)c1cc(Br)cc(F)c1O ZINC000756730855 621661442 /nfs/dbraw/zinc/66/14/42/621661442.db2.gz CAVAHPSCJHHFHC-APPZFPTMSA-N 1 2 320.227 3.450 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C(C)(C)O ZINC000756817365 621666627 /nfs/dbraw/zinc/66/66/27/621666627.db2.gz FJYRRJKDZFFNBB-JGVFFNPUSA-N 1 2 320.202 3.104 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cc(Br)c(F)cc1O ZINC000757655916 621731074 /nfs/dbraw/zinc/73/10/74/621731074.db2.gz LORGIXKDKYDVAI-XHNCKOQMSA-N 1 2 320.202 3.104 20 10 DGCDLO COc1cccc(O)c1C[N@H+](C)Cc1ncc(C)c(OC)c1C ZINC000757903017 621745802 /nfs/dbraw/zinc/74/58/02/621745802.db2.gz LYDHAWXUFFCVEL-UHFFFAOYSA-N 1 2 316.401 3.053 20 10 DGCDLO COc1cccc(O)c1C[N@@H+](C)Cc1ncc(C)c(OC)c1C ZINC000757903017 621745804 /nfs/dbraw/zinc/74/58/04/621745804.db2.gz LYDHAWXUFFCVEL-UHFFFAOYSA-N 1 2 316.401 3.053 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000765283003 622256555 /nfs/dbraw/zinc/25/65/55/622256555.db2.gz YEEQQFNCCGKONQ-LBPRGKRZSA-N 1 2 322.206 3.045 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000765283003 622256557 /nfs/dbraw/zinc/25/65/57/622256557.db2.gz YEEQQFNCCGKONQ-LBPRGKRZSA-N 1 2 322.206 3.045 20 10 DGCDLO CCC(CC)C(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000768334136 622450473 /nfs/dbraw/zinc/45/04/73/622450473.db2.gz MCLPNFGMUGYHLI-UHFFFAOYSA-N 1 2 324.852 3.126 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[NH+](C2CCC2)CC1 ZINC000769410398 622525603 /nfs/dbraw/zinc/52/56/03/622525603.db2.gz CBSPQAMGYNBSKC-UHFFFAOYSA-N 1 2 315.244 3.369 20 10 DGCDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000769421419 622526373 /nfs/dbraw/zinc/52/63/73/622526373.db2.gz BQHFGKSXIJHKTA-SFHVURJKSA-N 1 2 313.397 3.355 20 10 DGCDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000769421419 622526376 /nfs/dbraw/zinc/52/63/76/622526376.db2.gz BQHFGKSXIJHKTA-SFHVURJKSA-N 1 2 313.397 3.355 20 10 DGCDLO CCOc1ccc(C[N@@H+]2CCOC[C@@H]2c2ccc(C)o2)c(O)c1 ZINC000769447242 622528671 /nfs/dbraw/zinc/52/86/71/622528671.db2.gz XFNAXWQGOQXKBH-MRXNPFEDSA-N 1 2 317.385 3.266 20 10 DGCDLO CCOc1ccc(C[N@H+]2CCOC[C@@H]2c2ccc(C)o2)c(O)c1 ZINC000769447242 622528673 /nfs/dbraw/zinc/52/86/73/622528673.db2.gz XFNAXWQGOQXKBH-MRXNPFEDSA-N 1 2 317.385 3.266 20 10 DGCDLO CN(Cc1ccccc1O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000770510157 622640563 /nfs/dbraw/zinc/64/05/63/622640563.db2.gz ZPFZQIWZHNSDJD-LJQANCHMSA-N 1 2 310.441 3.489 20 10 DGCDLO CN(Cc1ccccc1O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000770510157 622640568 /nfs/dbraw/zinc/64/05/68/622640568.db2.gz ZPFZQIWZHNSDJD-LJQANCHMSA-N 1 2 310.441 3.489 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cc(F)cc(F)c1O ZINC000774377336 623137841 /nfs/dbraw/zinc/13/78/41/623137841.db2.gz FZXDNWQJEAUJRY-SMDDNHRTSA-N 1 2 310.388 3.338 20 10 DGCDLO Oc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC000775666012 623309697 /nfs/dbraw/zinc/30/96/97/623309697.db2.gz PTIPFICFIXGQHW-UHFFFAOYSA-N 1 2 321.779 3.491 20 10 DGCDLO Oc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC000775666012 623309702 /nfs/dbraw/zinc/30/97/02/623309702.db2.gz PTIPFICFIXGQHW-UHFFFAOYSA-N 1 2 321.779 3.491 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](N3CCCCC3)C2)c1O ZINC000775676901 623312585 /nfs/dbraw/zinc/31/25/85/623312585.db2.gz AHNDOYZAIBLBPJ-INIZCTEOSA-N 1 2 308.853 3.414 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](N3CCCCC3)C2)c1O ZINC000775676901 623312589 /nfs/dbraw/zinc/31/25/89/623312589.db2.gz AHNDOYZAIBLBPJ-INIZCTEOSA-N 1 2 308.853 3.414 20 10 DGCDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000775987673 623361355 /nfs/dbraw/zinc/36/13/55/623361355.db2.gz VZQRUYNTGBPJGI-VHSXEESVSA-N 1 2 303.233 3.223 20 10 DGCDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000775987673 623361358 /nfs/dbraw/zinc/36/13/58/623361358.db2.gz VZQRUYNTGBPJGI-VHSXEESVSA-N 1 2 303.233 3.223 20 10 DGCDLO CO[C@@]1(C)C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1(C)C ZINC000776220066 623398779 /nfs/dbraw/zinc/39/87/79/623398779.db2.gz JTZKJLUIMBELTR-WFASDCNBSA-N 1 2 301.789 3.478 20 10 DGCDLO CCOc1ccc(C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C)c(O)c1 ZINC000776258111 623402375 /nfs/dbraw/zinc/40/23/75/623402375.db2.gz RRCRMPUSEARGHG-MRXNPFEDSA-N 1 2 323.433 3.247 20 10 DGCDLO C[C@H](CCO)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCC1 ZINC000776256604 623402415 /nfs/dbraw/zinc/40/24/15/623402415.db2.gz CVRFHIHWMXBKNY-LLVKDONJSA-N 1 2 315.816 3.463 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1N(C)CCCC1(C)C)c1cc(F)cc(F)c1O ZINC000790495873 625661539 /nfs/dbraw/zinc/66/15/39/625661539.db2.gz CZEMILOMOBHVDA-IAQYHMDHSA-N 1 2 312.404 3.441 20 10 DGCDLO Cc1cccc(O)c1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000876821667 623717942 /nfs/dbraw/zinc/71/79/42/623717942.db2.gz NKNPJBBYIJGKJF-UHFFFAOYSA-N 1 2 312.413 3.274 20 10 DGCDLO CC1(C)CN(Cc2ccccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000779015374 623720204 /nfs/dbraw/zinc/72/02/04/623720204.db2.gz UGNAVFVYLDXWMU-UHFFFAOYSA-N 1 2 310.441 3.489 20 10 DGCDLO CC1(C)CN(Cc2ccccc2O)CC[N@H+]1Cc1ccccc1 ZINC000779015374 623720207 /nfs/dbraw/zinc/72/02/07/623720207.db2.gz UGNAVFVYLDXWMU-UHFFFAOYSA-N 1 2 310.441 3.489 20 10 DGCDLO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(F)c(F)c2O)o1 ZINC000877043927 623774307 /nfs/dbraw/zinc/77/43/07/623774307.db2.gz SMROGNIQZNGBJV-ZDUSSCGKSA-N 1 2 311.328 3.303 20 10 DGCDLO CCOC1CC(C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000877479829 623903573 /nfs/dbraw/zinc/90/35/73/623903573.db2.gz YXTONIGBLXXMFX-UHFFFAOYSA-N 1 2 314.223 3.059 20 10 DGCDLO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cccc(Cl)c1O ZINC000877696724 623994925 /nfs/dbraw/zinc/99/49/25/623994925.db2.gz WWRONMJMIZFUBP-QGZVFWFLSA-N 1 2 323.795 3.268 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877739350 624012021 /nfs/dbraw/zinc/01/20/21/624012021.db2.gz RUIMFLLEYRWRAT-KOLCDFICSA-N 1 2 301.814 3.370 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877739350 624012023 /nfs/dbraw/zinc/01/20/23/624012023.db2.gz RUIMFLLEYRWRAT-KOLCDFICSA-N 1 2 301.814 3.370 20 10 DGCDLO C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]21 ZINC000877744635 624016913 /nfs/dbraw/zinc/01/69/13/624016913.db2.gz WFCGXPSRSSYFAC-HZMBPMFUSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]21 ZINC000877744635 624016916 /nfs/dbraw/zinc/01/69/16/624016916.db2.gz WFCGXPSRSSYFAC-HZMBPMFUSA-N 1 2 315.244 3.225 20 10 DGCDLO C[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]21 ZINC000877744635 624016923 /nfs/dbraw/zinc/01/69/23/624016923.db2.gz WFCGXPSRSSYFAC-HZMBPMFUSA-N 1 2 315.244 3.225 20 10 DGCDLO C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]21 ZINC000877744635 624016926 /nfs/dbraw/zinc/01/69/26/624016926.db2.gz WFCGXPSRSSYFAC-HZMBPMFUSA-N 1 2 315.244 3.225 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2ccon2)c1 ZINC000781913994 624170359 /nfs/dbraw/zinc/17/03/59/624170359.db2.gz VMQBLMDGWGIWTO-UHFFFAOYSA-N 1 2 311.179 3.083 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2ccon2)c1 ZINC000781913994 624170362 /nfs/dbraw/zinc/17/03/62/624170362.db2.gz VMQBLMDGWGIWTO-UHFFFAOYSA-N 1 2 311.179 3.083 20 10 DGCDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccccc1O ZINC000783517765 624360672 /nfs/dbraw/zinc/36/06/72/624360672.db2.gz IXWFSWOZFQKEQO-NSHDSACASA-N 1 2 312.348 3.167 20 10 DGCDLO C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccccc1O ZINC000783517765 624360674 /nfs/dbraw/zinc/36/06/74/624360674.db2.gz IXWFSWOZFQKEQO-NSHDSACASA-N 1 2 312.348 3.167 20 10 DGCDLO CC[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cccc(Cl)c1O ZINC000806149439 624410673 /nfs/dbraw/zinc/41/06/73/624410673.db2.gz SNCXOXWMWMEBDA-KCJUWKMLSA-N 1 2 311.731 3.400 20 10 DGCDLO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000786583255 624925974 /nfs/dbraw/zinc/92/59/74/624925974.db2.gz QBQUBEUZUOQOMZ-SWLSCSKDSA-N 1 2 321.367 3.233 20 10 DGCDLO COc1ccc(C[NH2+]Cc2nc(-c3ccccc3)no2)cc1C ZINC000788433346 625169052 /nfs/dbraw/zinc/16/90/52/625169052.db2.gz VNSOZJAPAIBIPR-UHFFFAOYSA-N 1 2 309.369 3.343 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cn2ccccc2n1 ZINC000790947669 625720427 /nfs/dbraw/zinc/72/04/27/625720427.db2.gz VXKWIGOBKYPMQA-UHFFFAOYSA-N 1 2 305.740 3.122 20 10 DGCDLO C[NH+](C)Cc1cc(NC(=O)C2=CC(=O)CS2)ccc1Cl ZINC000799186826 626278550 /nfs/dbraw/zinc/27/85/50/626278550.db2.gz HLIVZIFRVSDEIN-UHFFFAOYSA-N 1 2 310.806 3.421 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1cccc(Cl)c1O ZINC000883395905 626671756 /nfs/dbraw/zinc/67/17/56/626671756.db2.gz DTLDHCJUMLVPBZ-DOMZBBRYSA-N 1 2 322.836 3.097 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C(=O)NC)c1cccc(Cl)c1O ZINC000806150153 626702284 /nfs/dbraw/zinc/70/22/84/626702284.db2.gz MHIZBAIZENNQKA-KWCYVHTRSA-N 1 2 310.825 3.001 20 10 DGCDLO CC[C@@H]([NH2+]CCCNC(=O)C(C)C)c1cccc(Cl)c1O ZINC000806148998 626702542 /nfs/dbraw/zinc/70/25/42/626702542.db2.gz NJSDAQLJGLLRPY-CQSZACIVSA-N 1 2 312.841 3.249 20 10 DGCDLO CC[C@H]([NH2+]Cc1cccn(CC)c1=O)c1cccc(Cl)c1O ZINC000806163421 626703830 /nfs/dbraw/zinc/70/38/30/626703830.db2.gz QLOPDEOEBZYEGA-HNNXBMFYSA-N 1 2 320.820 3.468 20 10 DGCDLO C[C@H]([NH2+]Cc1cccc(Br)c1O)C1CCOCC1 ZINC000134478102 626878093 /nfs/dbraw/zinc/87/80/93/626878093.db2.gz XUUAHLHNQVNITD-JTQLQIEISA-N 1 2 314.223 3.059 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1F ZINC000809693385 626937245 /nfs/dbraw/zinc/93/72/45/626937245.db2.gz UZZRTOXBHLHTBT-KRWDZBQOSA-N 1 2 302.397 3.342 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1F ZINC000809693385 626937247 /nfs/dbraw/zinc/93/72/47/626937247.db2.gz UZZRTOXBHLHTBT-KRWDZBQOSA-N 1 2 302.397 3.342 20 10 DGCDLO CN(C)CC[N@H+](Cc1cccc(F)c1)Cc1ccccc1O ZINC000809738288 626944143 /nfs/dbraw/zinc/94/41/43/626944143.db2.gz WFUQMSUIEPUHIP-UHFFFAOYSA-N 1 2 302.393 3.095 20 10 DGCDLO CN(C)CC[N@@H+](Cc1cccc(F)c1)Cc1ccccc1O ZINC000809738288 626944145 /nfs/dbraw/zinc/94/41/45/626944145.db2.gz WFUQMSUIEPUHIP-UHFFFAOYSA-N 1 2 302.393 3.095 20 10 DGCDLO CCC[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000809790723 626954440 /nfs/dbraw/zinc/95/44/40/626954440.db2.gz LWKITRPYDAAOAR-HNNXBMFYSA-N 1 2 301.789 3.169 20 10 DGCDLO CCC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000809790723 626954444 /nfs/dbraw/zinc/95/44/44/626954444.db2.gz LWKITRPYDAAOAR-HNNXBMFYSA-N 1 2 301.789 3.169 20 10 DGCDLO COCc1nc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cs1 ZINC000810253153 626992898 /nfs/dbraw/zinc/99/28/98/626992898.db2.gz MYWAKVXHVTUVTK-QMMMGPOBSA-N 1 2 314.357 3.124 20 10 DGCDLO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000810258098 626993950 /nfs/dbraw/zinc/99/39/50/626993950.db2.gz ZGLHEKYYMDNXRT-HRDYMLBCSA-N 1 2 320.202 3.368 20 10 DGCDLO CC[C@H](C[NH2+][C@H](C)c1cc(Br)cc(F)c1O)OC ZINC000810260048 626994642 /nfs/dbraw/zinc/99/46/42/626994642.db2.gz CKHMHTCIEKPIBF-PSASIEDQSA-N 1 2 320.202 3.369 20 10 DGCDLO CN(C)c1cc(F)c(C[NH2+]Cc2cc(C3CC3)no2)cc1F ZINC000886268830 627128120 /nfs/dbraw/zinc/12/81/20/627128120.db2.gz CHMMKISMDULRRQ-UHFFFAOYSA-N 1 2 307.344 3.186 20 10 DGCDLO C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1c(O)cccc1F ZINC000886625305 627176202 /nfs/dbraw/zinc/17/62/02/627176202.db2.gz NEWHYVQJSKBNFM-MRVPVSSYSA-N 1 2 315.270 3.191 20 10 DGCDLO Cc1ccc2nc(C[NH2+]Cc3cc(Cl)cc(F)c3O)cn2c1 ZINC000811634384 627297208 /nfs/dbraw/zinc/29/72/08/627297208.db2.gz MWOGZKONQJXAGW-UHFFFAOYSA-N 1 2 319.767 3.431 20 10 DGCDLO Oc1ccc2c(c1CNc1cc(N3CCCC3)nc[nH+]1)CCCC2 ZINC000811809117 627323746 /nfs/dbraw/zinc/32/37/46/627323746.db2.gz YIDWHPOKDMHVMV-UHFFFAOYSA-N 1 2 324.428 3.273 20 10 DGCDLO Oc1ccc2c(c1CNc1cc(N3CCCC3)[nH+]cn1)CCCC2 ZINC000811809117 627323747 /nfs/dbraw/zinc/32/37/47/627323747.db2.gz YIDWHPOKDMHVMV-UHFFFAOYSA-N 1 2 324.428 3.273 20 10 DGCDLO c1nnc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CCCCC2)[nH]1 ZINC000813857495 627516176 /nfs/dbraw/zinc/51/61/76/627516176.db2.gz VSCFXQSMXBURJP-KRWDZBQOSA-N 1 2 312.417 3.151 20 10 DGCDLO C[C@H]([NH2+]Cc1cccc(Br)c1O)c1cc[nH]c(=O)c1 ZINC000815148531 627637197 /nfs/dbraw/zinc/63/71/97/627637197.db2.gz YTROBOGTFBAUST-VIFPVBQESA-N 1 2 323.190 3.106 20 10 DGCDLO C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CCC[C@@H](C)C1 ZINC000816535589 627804115 /nfs/dbraw/zinc/80/41/15/627804115.db2.gz UERVCOSLMZZDCS-VXGBXAGGSA-N 1 2 314.832 3.395 20 10 DGCDLO C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CCC(C)CC1 ZINC000816543905 627805074 /nfs/dbraw/zinc/80/50/74/627805074.db2.gz RHZMTWMMPXDTLH-GFCCVEGCSA-N 1 2 314.832 3.395 20 10 DGCDLO CC(C)(C)OC(=O)CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816554093 627806747 /nfs/dbraw/zinc/80/67/47/627806747.db2.gz OMYUKIRIYHHKTC-UHFFFAOYSA-N 1 2 317.788 3.396 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nccc(C(F)F)n1 ZINC000816611978 627814300 /nfs/dbraw/zinc/81/43/00/627814300.db2.gz CUIVAPQJLNEQBV-UHFFFAOYSA-N 1 2 317.698 3.202 20 10 DGCDLO CC[C@@H]1C[N@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000816660880 627821597 /nfs/dbraw/zinc/82/15/97/627821597.db2.gz SQIAQIMMJWCSNA-GFCCVEGCSA-N 1 2 303.233 3.225 20 10 DGCDLO CC[C@@H]1C[N@@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000816660880 627821600 /nfs/dbraw/zinc/82/16/00/627821600.db2.gz SQIAQIMMJWCSNA-GFCCVEGCSA-N 1 2 303.233 3.225 20 10 DGCDLO CC(C)[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CCCO1 ZINC000816674776 627823184 /nfs/dbraw/zinc/82/31/84/627823184.db2.gz KKFSXZACHZVAKV-CQSZACIVSA-N 1 2 301.789 3.432 20 10 DGCDLO CC(C)[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CCCO1 ZINC000816674776 627823185 /nfs/dbraw/zinc/82/31/85/627823185.db2.gz KKFSXZACHZVAKV-CQSZACIVSA-N 1 2 301.789 3.432 20 10 DGCDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@H+]2CC[C@@H]1CCOC1=O ZINC000817299133 627879616 /nfs/dbraw/zinc/87/96/16/627879616.db2.gz VNKPZOOUJICHIT-ZBFHGGJFSA-N 1 2 317.429 3.283 20 10 DGCDLO COc1ccc2c(c1)C[C@H](C(C)C)C[N@@H+]2CC[C@@H]1CCOC1=O ZINC000817299133 627879617 /nfs/dbraw/zinc/87/96/17/627879617.db2.gz VNKPZOOUJICHIT-ZBFHGGJFSA-N 1 2 317.429 3.283 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817949373 627971422 /nfs/dbraw/zinc/97/14/22/627971422.db2.gz JWVDKHVQLMCGHJ-ZJUUUORDSA-N 1 2 303.233 3.492 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(Br)c(F)cc1O ZINC000818357164 628017703 /nfs/dbraw/zinc/01/77/03/628017703.db2.gz VUVFASOGPJOLQD-JMCQJSRRSA-N 1 2 300.171 3.497 20 10 DGCDLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)c2nccn21 ZINC000825017679 628716773 /nfs/dbraw/zinc/71/67/73/628716773.db2.gz XDBWVJZTRWCUSP-SKDRFNHKSA-N 1 2 322.206 3.147 20 10 DGCDLO CC[C@]1(C)C[N@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000825634425 628779848 /nfs/dbraw/zinc/77/98/48/628779848.db2.gz NFURHNCILMFTQZ-CQSZACIVSA-N 1 2 314.223 3.156 20 10 DGCDLO CC[C@]1(C)C[N@@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000825634425 628779850 /nfs/dbraw/zinc/77/98/50/628779850.db2.gz NFURHNCILMFTQZ-CQSZACIVSA-N 1 2 314.223 3.156 20 10 DGCDLO C[C@H](CSCCF)[NH2+]Cc1cccc(Br)c1O ZINC000825710337 628788381 /nfs/dbraw/zinc/78/83/81/628788381.db2.gz MFFZFIANNGHJQR-SECBINFHSA-N 1 2 322.243 3.336 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000827538348 628969519 /nfs/dbraw/zinc/96/95/19/628969519.db2.gz OTXDHDLIHHKFJS-UHFFFAOYSA-N 1 2 307.821 3.437 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000827538348 628969521 /nfs/dbraw/zinc/96/95/21/628969521.db2.gz OTXDHDLIHHKFJS-UHFFFAOYSA-N 1 2 307.821 3.437 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H](CC(F)(F)F)O1 ZINC000827787095 628991234 /nfs/dbraw/zinc/99/12/34/628991234.db2.gz MIOJUKQUNMDJQU-BXKDBHETSA-N 1 2 307.287 3.073 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H](CC(F)(F)F)O1 ZINC000827787095 628991235 /nfs/dbraw/zinc/99/12/35/628991235.db2.gz MIOJUKQUNMDJQU-BXKDBHETSA-N 1 2 307.287 3.073 20 10 DGCDLO Cc1cc(C[N@@H+]2CCO[C@@H](C(F)F)C2)ccc1N1CCCCC1 ZINC000829506380 629163721 /nfs/dbraw/zinc/16/37/21/629163721.db2.gz UHRXPQJXHRZVOB-QGZVFWFLSA-N 1 2 324.415 3.451 20 10 DGCDLO Cc1cc(C[N@H+]2CCO[C@@H](C(F)F)C2)ccc1N1CCCCC1 ZINC000829506380 629163727 /nfs/dbraw/zinc/16/37/27/629163727.db2.gz UHRXPQJXHRZVOB-QGZVFWFLSA-N 1 2 324.415 3.451 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)[C@H](C)O ZINC000834886956 629797689 /nfs/dbraw/zinc/79/76/89/629797689.db2.gz GGYHVUGRKGVWSV-LWINAJNOSA-N 1 2 320.202 3.104 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)[C@@H](C)O ZINC000834886960 629797821 /nfs/dbraw/zinc/79/78/21/629797821.db2.gz GGYHVUGRKGVWSV-RWYTXXIDSA-N 1 2 320.202 3.104 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)Cc1cnn(C)c1)c1cccc(Cl)c1O ZINC000834896556 629801163 /nfs/dbraw/zinc/80/11/63/629801163.db2.gz LEFLXPKFCXJCJS-ABAIWWIYSA-N 1 2 307.825 3.451 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000835053542 629837670 /nfs/dbraw/zinc/83/76/70/629837670.db2.gz NWKVJINSAHYGNP-CWDCEQMOSA-N 1 2 310.388 3.122 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000835053542 629837674 /nfs/dbraw/zinc/83/76/74/629837674.db2.gz NWKVJINSAHYGNP-CWDCEQMOSA-N 1 2 310.388 3.122 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCOCC1CCCC1 ZINC000835056831 629839391 /nfs/dbraw/zinc/83/93/91/629839391.db2.gz PGJJYWSMWPIPSD-UHFFFAOYSA-N 1 2 301.789 3.481 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000841888872 630473658 /nfs/dbraw/zinc/47/36/58/630473658.db2.gz UEILUGZWQJGKJD-CYBMUJFWSA-N 1 2 319.788 3.365 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000844909015 630975802 /nfs/dbraw/zinc/97/58/02/630975802.db2.gz ZLOOPHQVZJBERO-ZDUSSCGKSA-N 1 2 306.768 3.311 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000846042404 631207718 /nfs/dbraw/zinc/20/77/18/631207718.db2.gz LDOZGOLVQWFMEB-OAHLLOKOSA-N 1 2 313.800 3.480 20 10 DGCDLO COc1ccc(N(C)CC[N@H+](C)Cc2coc(C3CC3)n2)cc1 ZINC000846052398 631208331 /nfs/dbraw/zinc/20/83/31/631208331.db2.gz NNYOWILENSBTBL-UHFFFAOYSA-N 1 2 315.417 3.129 20 10 DGCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2coc(C3CC3)n2)cc1 ZINC000846052398 631208333 /nfs/dbraw/zinc/20/83/33/631208333.db2.gz NNYOWILENSBTBL-UHFFFAOYSA-N 1 2 315.417 3.129 20 10 DGCDLO CCCCN(Cc1ccccc1O)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000846096575 631209315 /nfs/dbraw/zinc/20/93/15/631209315.db2.gz XJRQUCMLNTTXMQ-HNNXBMFYSA-N 1 2 315.417 3.369 20 10 DGCDLO COc1cc(Br)cc([C@H](C)[NH2+]CC(C)(F)F)c1O ZINC000848551167 631689311 /nfs/dbraw/zinc/68/93/11/631689311.db2.gz FOUULVKRUNITCD-ZETCQYMHSA-N 1 2 324.165 3.469 20 10 DGCDLO CC[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1cc(Cl)ccc1O ZINC000848560880 631693188 /nfs/dbraw/zinc/69/31/88/631693188.db2.gz MNHIRIKKVCZWJG-LBPRGKRZSA-N 1 2 323.828 3.028 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2c(O)cccc2Br)[C@@H](C)CO1 ZINC000707143454 660887817 /nfs/dbraw/zinc/88/78/17/660887817.db2.gz SHQUEZHEJBJJKV-QWRGUYRKSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2c(O)cccc2Br)[C@@H](C)CO1 ZINC000707143454 660887820 /nfs/dbraw/zinc/88/78/20/660887820.db2.gz SHQUEZHEJBJJKV-QWRGUYRKSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@]1(C)COCC[N@@H+]1Cc1c(O)cccc1Br ZINC000707129707 660889765 /nfs/dbraw/zinc/88/97/65/660889765.db2.gz LLHLUCPAEBHIHP-CQSZACIVSA-N 1 2 314.223 3.156 20 10 DGCDLO CC[C@]1(C)COCC[N@H+]1Cc1c(O)cccc1Br ZINC000707129707 660889766 /nfs/dbraw/zinc/88/97/66/660889766.db2.gz LLHLUCPAEBHIHP-CQSZACIVSA-N 1 2 314.223 3.156 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000708419365 660920889 /nfs/dbraw/zinc/92/08/89/660920889.db2.gz BWFKVKMTARKAKU-MRXNPFEDSA-N 1 2 318.367 3.035 20 10 DGCDLO CC(C)[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000709000156 660923506 /nfs/dbraw/zinc/92/35/06/660923506.db2.gz KTOWUXXDIRPULP-AWEZNQCLSA-N 1 2 314.223 3.012 20 10 DGCDLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000709000156 660923507 /nfs/dbraw/zinc/92/35/07/660923507.db2.gz KTOWUXXDIRPULP-AWEZNQCLSA-N 1 2 314.223 3.012 20 10 DGCDLO C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715768157 661214469 /nfs/dbraw/zinc/21/44/69/661214469.db2.gz BWRKFSWABCGALW-CPCISQLKSA-N 1 2 320.227 3.135 20 10 DGCDLO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CS1 ZINC000715768170 661214566 /nfs/dbraw/zinc/21/45/66/661214566.db2.gz CACVMFSXYQUIKQ-XVKPBYJWSA-N 1 2 320.227 3.277 20 10 DGCDLO CCOc1ccc(O)c(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000236851487 656900303 /nfs/dbraw/zinc/90/03/03/656900303.db2.gz OBNUCSRANKWZJF-LLVKDONJSA-N 1 2 319.405 3.322 20 10 DGCDLO Cc1cc(C(=O)NCCn2cc[nH+]c2)c(C)n1-c1ccccc1C ZINC000075862258 661954128 /nfs/dbraw/zinc/95/41/28/661954128.db2.gz ZMWLJCAWLIJWEM-UHFFFAOYSA-N 1 2 322.412 3.029 20 10 DGCDLO CCc1ccc([C@@H]2COCC[N@@H+]2Cc2cc(C)ccc2O)o1 ZINC000093459459 662355348 /nfs/dbraw/zinc/35/53/48/662355348.db2.gz NFYRDJADDRHGOJ-INIZCTEOSA-N 1 2 301.386 3.430 20 10 DGCDLO CCc1ccc([C@@H]2COCC[N@H+]2Cc2cc(C)ccc2O)o1 ZINC000093459459 662355350 /nfs/dbraw/zinc/35/53/50/662355350.db2.gz NFYRDJADDRHGOJ-INIZCTEOSA-N 1 2 301.386 3.430 20 10 DGCDLO Cc1cccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC001620854390 1192461285 /nfs/dbraw/zinc/46/12/85/1192461285.db2.gz DVDQVVQDGPAGQP-OAHLLOKOSA-N 1 2 309.768 3.316 20 10 DGCDLO Cc1cc(-c2nnc(Cn3cc[nH+]c3)o2)c(C)n1-c1ccccc1 ZINC001347426650 1179807524 /nfs/dbraw/zinc/80/75/24/1179807524.db2.gz XEJZEVROBFFXNG-UHFFFAOYSA-N 1 2 319.368 3.389 20 10 DGCDLO Cc1ccc(O)c(CNc2nc(C)[nH+]c(C)c2Br)c1 ZINC001351352317 1180203334 /nfs/dbraw/zinc/20/33/34/1180203334.db2.gz KCCRJKGWIBGBKE-UHFFFAOYSA-N 1 2 322.206 3.482 20 10 DGCDLO Nc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC001352789007 1180398640 /nfs/dbraw/zinc/39/86/40/1180398640.db2.gz UAFGRYZNCPNVST-KRWDZBQOSA-N 1 2 304.340 3.121 20 10 DGCDLO Nc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC001352789007 1180398644 /nfs/dbraw/zinc/39/86/44/1180398644.db2.gz UAFGRYZNCPNVST-KRWDZBQOSA-N 1 2 304.340 3.121 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC001473983953 1183844030 /nfs/dbraw/zinc/84/40/30/1183844030.db2.gz LCPUSQRWJBCXEV-ZDUSSCGKSA-N 1 2 307.752 3.278 20 10 DGCDLO Oc1c(F)cc(F)cc1CNc1cccc(-n2cc[nH+]c2)c1 ZINC001474063655 1183860314 /nfs/dbraw/zinc/86/03/14/1183860314.db2.gz YWEVXGUUCCKEIE-UHFFFAOYSA-N 1 2 301.296 3.468 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nc(CO)cs2)cc1 ZINC001474398166 1183915858 /nfs/dbraw/zinc/91/58/58/1183915858.db2.gz ARSGMHFWARJURE-UHFFFAOYSA-N 1 2 319.474 3.114 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nc(CO)cs2)cc1 ZINC001474398166 1183915861 /nfs/dbraw/zinc/91/58/61/1183915861.db2.gz ARSGMHFWARJURE-UHFFFAOYSA-N 1 2 319.474 3.114 20 10 DGCDLO O=C(NCc1cc(Cl)ccc1O)Nc1ccn2cc[nH+]c2c1 ZINC001476534939 1184042293 /nfs/dbraw/zinc/04/22/93/1184042293.db2.gz CXQPYUUVZGZTNT-UHFFFAOYSA-N 1 2 316.748 3.015 20 10 DGCDLO OCC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC001560344727 1189314800 /nfs/dbraw/zinc/31/48/00/1189314800.db2.gz ISYMPZIZJQKMCU-ZDUSSCGKSA-N 1 2 323.795 3.441 20 10 DGCDLO CCc1[nH]nc(Cl)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001560627115 1189351675 /nfs/dbraw/zinc/35/16/75/1189351675.db2.gz ONDXFMVMYZYDRR-UHFFFAOYSA-N 1 2 306.841 3.324 20 10 DGCDLO CCc1[nH]nc(Cl)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001560627115 1189351680 /nfs/dbraw/zinc/35/16/80/1189351680.db2.gz ONDXFMVMYZYDRR-UHFFFAOYSA-N 1 2 306.841 3.324 20 10 DGCDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001560919313 1189405266 /nfs/dbraw/zinc/40/52/66/1189405266.db2.gz AJVVBQQREWRBDE-KGLIPLIRSA-N 1 2 312.404 3.420 20 10 DGCDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001560919313 1189405269 /nfs/dbraw/zinc/40/52/69/1189405269.db2.gz AJVVBQQREWRBDE-KGLIPLIRSA-N 1 2 312.404 3.420 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@](C)(C(F)F)O1 ZINC001560938364 1189408488 /nfs/dbraw/zinc/40/84/88/1189408488.db2.gz CLYPNVZPGQAPQU-OTYXRUKQSA-N 1 2 305.752 3.290 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@@](C)(C(F)F)O1 ZINC001560938364 1189408492 /nfs/dbraw/zinc/40/84/92/1189408492.db2.gz CLYPNVZPGQAPQU-OTYXRUKQSA-N 1 2 305.752 3.290 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@](C)(C(F)F)O1 ZINC001560938366 1189408752 /nfs/dbraw/zinc/40/87/52/1189408752.db2.gz CLYPNVZPGQAPQU-YMTOWFKASA-N 1 2 305.752 3.290 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@](C)(C(F)F)O1 ZINC001560938366 1189408753 /nfs/dbraw/zinc/40/87/53/1189408753.db2.gz CLYPNVZPGQAPQU-YMTOWFKASA-N 1 2 305.752 3.290 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC001561006528 1189419277 /nfs/dbraw/zinc/41/92/77/1189419277.db2.gz UDWATOLFISJLNI-CJNGLKHVSA-N 1 2 309.287 3.232 20 10 DGCDLO COc1ccc2nc(C[NH2+]Cc3c(O)cccc3F)sc2c1 ZINC001561015968 1189420600 /nfs/dbraw/zinc/42/06/00/1189420600.db2.gz LSPJFJJGEWEALT-UHFFFAOYSA-N 1 2 318.373 3.439 20 10 DGCDLO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001620717008 1193794569 /nfs/dbraw/zinc/79/45/69/1193794569.db2.gz JKJKFDHWABYSEO-CYBMUJFWSA-N 1 2 309.772 3.085 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](O)Cc1ccccc1 ZINC001650807847 1195384933 /nfs/dbraw/zinc/38/49/33/1195384933.db2.gz QGOVTOZTFODKFB-BDJLRTHQSA-N 1 2 323.795 3.266 20 10 DGCDLO Cc1[nH+]c(NCc2cc(F)ccc2O)ccc1-c1cnn(C)c1 ZINC001652516997 1195610457 /nfs/dbraw/zinc/61/04/57/1195610457.db2.gz QZXKSZDYBNRHOL-UHFFFAOYSA-N 1 2 312.348 3.247 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+]CCC1CSC1 ZINC001653270134 1195706058 /nfs/dbraw/zinc/70/60/58/1195706058.db2.gz SQLXWQMHSZYTMT-UHFFFAOYSA-N 1 2 320.227 3.137 20 10 DGCDLO C[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCCC[C@@H]1O ZINC001656689458 1196062615 /nfs/dbraw/zinc/06/26/15/1196062615.db2.gz XXVBZULUKQCWEL-ZFWWWQNUSA-N 1 2 301.789 3.216 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001657488136 1196148179 /nfs/dbraw/zinc/14/81/79/1196148179.db2.gz SXEUPMFTQYGDKB-LLVKDONJSA-N 1 2 321.783 3.354 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001657488136 1196148182 /nfs/dbraw/zinc/14/81/82/1196148182.db2.gz SXEUPMFTQYGDKB-LLVKDONJSA-N 1 2 321.783 3.354 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)c1c(F)cncc1F ZINC001658061386 1196208444 /nfs/dbraw/zinc/20/84/44/1196208444.db2.gz SEVUWULFESEZKW-SSDOTTSWSA-N 1 2 300.255 3.194 20 10 DGCDLO CCCN(CC[NH+]1CCCCC1)Cc1cc(F)cc(F)c1O ZINC001658073822 1196209797 /nfs/dbraw/zinc/20/97/97/1196209797.db2.gz LDGMYDXGJZTXEB-UHFFFAOYSA-N 1 2 312.404 3.368 20 10 DGCDLO Oc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC001665938206 1197219069 /nfs/dbraw/zinc/21/90/69/1197219069.db2.gz XGFUWNSCAOSKSP-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Oc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC001665938206 1197219071 /nfs/dbraw/zinc/21/90/71/1197219071.db2.gz XGFUWNSCAOSKSP-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001648914186 1082336834 /nfs/dbraw/zinc/33/68/34/1082336834.db2.gz PVUGWYILPCLHCI-VXGBXAGGSA-N 1 2 314.832 3.395 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)Cc2ccccc2O1 ZINC001182129660 1083626951 /nfs/dbraw/zinc/62/69/51/1083626951.db2.gz ZBLWVLSOVNIMBD-NSHDSACASA-N 1 2 305.324 3.454 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)Cc2ccccc2O1 ZINC001182129660 1083626956 /nfs/dbraw/zinc/62/69/56/1083626956.db2.gz ZBLWVLSOVNIMBD-NSHDSACASA-N 1 2 305.324 3.454 20 10 DGCDLO Cc1cc(C)c(C(=O)NCc2ccc(N(C)C)cc2C)c(C)[nH+]1 ZINC001126004473 1083757271 /nfs/dbraw/zinc/75/72/71/1083757271.db2.gz DLHJKOGCTYSRQY-UHFFFAOYSA-N 1 2 311.429 3.311 20 10 DGCDLO C[N@H+](Cc1csc(Br)n1)Cc1ccccc1O ZINC001137583992 1083976799 /nfs/dbraw/zinc/97/67/99/1083976799.db2.gz APQGJKRUFFKXKZ-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO C[N@@H+](Cc1csc(Br)n1)Cc1ccccc1O ZINC001137583992 1083976814 /nfs/dbraw/zinc/97/68/14/1083976814.db2.gz APQGJKRUFFKXKZ-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO C[C@@]1(F)CC[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1F ZINC001203636607 1084633752 /nfs/dbraw/zinc/63/37/52/1084633752.db2.gz YFYPSVCFFSSSLG-QWHCGFSZSA-N 1 2 320.177 3.427 20 10 DGCDLO C[C@@]1(F)CC[N@@H+](Cc2cc(Br)ccc2O)C[C@@H]1F ZINC001203636607 1084633756 /nfs/dbraw/zinc/63/37/56/1084633756.db2.gz YFYPSVCFFSSSLG-QWHCGFSZSA-N 1 2 320.177 3.427 20 10 DGCDLO CCOC(=O)Cc1ccc(NCc2c(C)cc(C)cc2O)[nH+]c1 ZINC001160810162 1088973939 /nfs/dbraw/zinc/97/39/39/1088973939.db2.gz LAMMAXNPIBJVKJ-UHFFFAOYSA-N 1 2 314.385 3.122 20 10 DGCDLO COc1cccc(CNc2nc3ccccc3n3c[nH+]cc23)c1O ZINC001162423501 1089728669 /nfs/dbraw/zinc/72/86/69/1089728669.db2.gz ADNRZKGTUFXQPZ-UHFFFAOYSA-N 1 2 320.352 3.209 20 10 DGCDLO Cc1cc2ccccc2[nH+]c1NCCc1cc(O)c(O)cc1O ZINC001157239892 1089889684 /nfs/dbraw/zinc/88/96/84/1089889684.db2.gz LZFIYERGXZMSIT-UHFFFAOYSA-N 1 2 310.353 3.315 20 10 DGCDLO COc1nsc(C[NH2+]Cc2cccc(Cl)c2O)c1Cl ZINC001204002664 1090866008 /nfs/dbraw/zinc/86/60/08/1090866008.db2.gz RYDXUROWBRUJAP-UHFFFAOYSA-N 1 2 319.213 3.454 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1c(F)cccc1F)CCC2 ZINC001204206081 1090922227 /nfs/dbraw/zinc/92/22/27/1090922227.db2.gz OSRCIUSVDQWPAB-UHFFFAOYSA-N 1 2 305.324 3.324 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1c(F)cccc1F)CCC2 ZINC001204206081 1090922232 /nfs/dbraw/zinc/92/22/32/1090922232.db2.gz OSRCIUSVDQWPAB-UHFFFAOYSA-N 1 2 305.324 3.324 20 10 DGCDLO Oc1c(C[NH+]2CC(F)(C3CC3)C2)cc2c3c1CCCN3CCC2 ZINC001138338144 1091146965 /nfs/dbraw/zinc/14/69/65/1091146965.db2.gz KVZKFRMYHOMAAE-UHFFFAOYSA-N 1 2 316.420 3.025 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC001139126807 1091456340 /nfs/dbraw/zinc/45/63/40/1091456340.db2.gz QQAIKRUCVDONNY-LLVKDONJSA-N 1 2 323.339 3.284 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC001139126807 1091456346 /nfs/dbraw/zinc/45/63/46/1091456346.db2.gz QQAIKRUCVDONNY-LLVKDONJSA-N 1 2 323.339 3.284 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001139126576 1091456480 /nfs/dbraw/zinc/45/64/80/1091456480.db2.gz LGUQNNQHFJTSOQ-RHSMWYFYSA-N 1 2 323.339 3.079 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001139126576 1091456484 /nfs/dbraw/zinc/45/64/84/1091456484.db2.gz LGUQNNQHFJTSOQ-RHSMWYFYSA-N 1 2 323.339 3.079 20 10 DGCDLO CC[N@H+](Cc1cccnc1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139128827 1091459394 /nfs/dbraw/zinc/45/93/94/1091459394.db2.gz FUIGPVIMOZAOGB-UHFFFAOYSA-N 1 2 324.380 3.224 20 10 DGCDLO CC[N@@H+](Cc1cccnc1)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139128827 1091459398 /nfs/dbraw/zinc/45/93/98/1091459398.db2.gz FUIGPVIMOZAOGB-UHFFFAOYSA-N 1 2 324.380 3.224 20 10 DGCDLO C[C@H](C[NH+](C)C)[C@H]1CCCCN1Cc1cc(F)c(F)cc1O ZINC001206800504 1091746154 /nfs/dbraw/zinc/74/61/54/1091746154.db2.gz KTYMWBSRYNNLJV-MLGOLLRUSA-N 1 2 312.404 3.223 20 10 DGCDLO Oc1cc(F)cc(F)c1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001140583119 1091919735 /nfs/dbraw/zinc/91/97/35/1091919735.db2.gz WNZGEJJOXYCKDK-UHFFFAOYSA-N 1 2 319.298 3.061 20 10 DGCDLO Cc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c(O)c1 ZINC001140953819 1092080404 /nfs/dbraw/zinc/08/04/04/1092080404.db2.gz HDDMBMLUJBWNOL-QGZVFWFLSA-N 1 2 324.415 3.396 20 10 DGCDLO CCCCCC[NH+]1CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139684246 1095350734 /nfs/dbraw/zinc/35/07/34/1095350734.db2.gz SCNBEPAMOKDPAX-UHFFFAOYSA-N 1 2 312.404 3.368 20 10 DGCDLO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC001138130630 1095901081 /nfs/dbraw/zinc/90/10/81/1095901081.db2.gz DPFJUCBQFDFXEF-INIZCTEOSA-N 1 2 314.360 3.134 20 10 DGCDLO COC(=O)Cc1ccc(NCc2cc3ccccc3cc2O)[nH+]c1 ZINC001171399079 1096659715 /nfs/dbraw/zinc/65/97/15/1096659715.db2.gz BAIPGRLGLKSSHB-UHFFFAOYSA-N 1 2 322.364 3.268 20 10 DGCDLO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](F)C2)c1O ZINC001231553017 1097778836 /nfs/dbraw/zinc/77/88/36/1097778836.db2.gz OWHNKZAUUYSLSP-SECBINFHSA-N 1 2 318.186 3.097 20 10 DGCDLO COc1ccc(Br)c(C[N@H+]2CCC[C@@H](F)C2)c1O ZINC001231553017 1097778840 /nfs/dbraw/zinc/77/88/40/1097778840.db2.gz OWHNKZAUUYSLSP-SECBINFHSA-N 1 2 318.186 3.097 20 10 DGCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001231847776 1097861708 /nfs/dbraw/zinc/86/17/08/1097861708.db2.gz CVKPSUZLSYTMLR-OAHLLOKOSA-N 1 2 316.367 3.330 20 10 DGCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001231847776 1097861714 /nfs/dbraw/zinc/86/17/14/1097861714.db2.gz CVKPSUZLSYTMLR-OAHLLOKOSA-N 1 2 316.367 3.330 20 10 DGCDLO Cc1ccc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)nc1 ZINC001231911715 1097889733 /nfs/dbraw/zinc/88/97/33/1097889733.db2.gz KLDBUAWZUAJPFQ-UHFFFAOYSA-N 1 2 317.820 3.071 20 10 DGCDLO CCOC(=O)C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231910955 1097890159 /nfs/dbraw/zinc/89/01/59/1097890159.db2.gz WTVVPLPHWVSFDD-GFCCVEGCSA-N 1 2 311.809 3.211 20 10 DGCDLO CCOC(=O)C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231910955 1097890163 /nfs/dbraw/zinc/89/01/63/1097890163.db2.gz WTVVPLPHWVSFDD-GFCCVEGCSA-N 1 2 311.809 3.211 20 10 DGCDLO Cc1cccc(O[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC001231913013 1097890419 /nfs/dbraw/zinc/89/04/19/1097890419.db2.gz CRIZYKDSISMLPL-CQSZACIVSA-N 1 2 318.804 3.402 20 10 DGCDLO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC001231913013 1097890424 /nfs/dbraw/zinc/89/04/24/1097890424.db2.gz CRIZYKDSISMLPL-CQSZACIVSA-N 1 2 318.804 3.402 20 10 DGCDLO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231912091 1097891255 /nfs/dbraw/zinc/89/12/55/1097891255.db2.gz VUZXFVHSLKBVRM-KRWDZBQOSA-N 1 2 322.836 3.023 20 10 DGCDLO CC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231912091 1097891259 /nfs/dbraw/zinc/89/12/59/1097891259.db2.gz VUZXFVHSLKBVRM-KRWDZBQOSA-N 1 2 322.836 3.023 20 10 DGCDLO O=C1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)[C@@H]2CCCC[C@@H]12 ZINC001232258638 1097982916 /nfs/dbraw/zinc/98/29/16/1097982916.db2.gz BPGGKLRPQITAJF-DGCLKSJQSA-N 1 2 309.793 3.085 20 10 DGCDLO O=C1CC[N@H+](Cc2cc(Cl)c(O)cc2O)[C@@H]2CCCC[C@@H]12 ZINC001232258638 1097982924 /nfs/dbraw/zinc/98/29/24/1097982924.db2.gz BPGGKLRPQITAJF-DGCLKSJQSA-N 1 2 309.793 3.085 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCc3cnccc3C2)cc1Cl ZINC001232266068 1097986441 /nfs/dbraw/zinc/98/64/41/1097986441.db2.gz IGZXVLAIEZBYLS-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCc3cnccc3C2)cc1Cl ZINC001232266068 1097986449 /nfs/dbraw/zinc/98/64/49/1097986449.db2.gz IGZXVLAIEZBYLS-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO O=C(C1CC[NH+](Cc2c(O)ccc(F)c2F)CC1)C(F)(F)F ZINC001233334425 1098291671 /nfs/dbraw/zinc/29/16/71/1098291671.db2.gz GGOVSJGYZIDZJC-UHFFFAOYSA-N 1 2 323.261 3.014 20 10 DGCDLO CC[N@H+](Cc1cccc(C(F)(F)F)c1O)C1CCOCC1 ZINC001233417633 1098323254 /nfs/dbraw/zinc/32/32/54/1098323254.db2.gz BPSZKXGYZVGSAV-UHFFFAOYSA-N 1 2 303.324 3.412 20 10 DGCDLO CC[N@@H+](Cc1cccc(C(F)(F)F)c1O)C1CCOCC1 ZINC001233417633 1098323263 /nfs/dbraw/zinc/32/32/63/1098323263.db2.gz BPSZKXGYZVGSAV-UHFFFAOYSA-N 1 2 303.324 3.412 20 10 DGCDLO CC(C)C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N(C)C ZINC001177200340 1098488212 /nfs/dbraw/zinc/48/82/12/1098488212.db2.gz WHPGWGXTOWWTGN-ZDUSSCGKSA-N 1 2 302.821 3.251 20 10 DGCDLO Cc1ccccc1[C@@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001177800316 1098619306 /nfs/dbraw/zinc/61/93/06/1098619306.db2.gz YNUWAMVCJMBXQZ-HNNXBMFYSA-N 1 2 309.768 3.316 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC001180178128 1099324275 /nfs/dbraw/zinc/32/42/75/1099324275.db2.gz QABQMVPYDKFLSR-AWEZNQCLSA-N 1 2 323.339 3.445 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC001180178128 1099324287 /nfs/dbraw/zinc/32/42/87/1099324287.db2.gz QABQMVPYDKFLSR-AWEZNQCLSA-N 1 2 323.339 3.445 20 10 DGCDLO O=C1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CN1C1CCCCC1 ZINC001180699350 1099494020 /nfs/dbraw/zinc/49/40/20/1099494020.db2.gz ZBIYHIPRVZHKKB-ZDUSSCGKSA-N 1 2 322.836 3.069 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC001236797723 1099791411 /nfs/dbraw/zinc/79/14/11/1099791411.db2.gz INNNKGCCZWUWFW-SWLSCSKDSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC001236797723 1099791417 /nfs/dbraw/zinc/79/14/17/1099791417.db2.gz INNNKGCCZWUWFW-SWLSCSKDSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1ccc(C[N@H+](C(C)C)C2CCOCC2)c(O)c1Cl ZINC001236818568 1099805627 /nfs/dbraw/zinc/80/56/27/1099805627.db2.gz OIQHXCIJZOASNH-UHFFFAOYSA-N 1 2 313.825 3.444 20 10 DGCDLO COc1ccc(C[N@@H+](C(C)C)C2CCOCC2)c(O)c1Cl ZINC001236818568 1099805640 /nfs/dbraw/zinc/80/56/40/1099805640.db2.gz OIQHXCIJZOASNH-UHFFFAOYSA-N 1 2 313.825 3.444 20 10 DGCDLO Oc1cc2ccccc2cc1C[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001236834221 1099821025 /nfs/dbraw/zinc/82/10/25/1099821025.db2.gz UXTVDOPRJGEBCR-DZKIICNBSA-N 1 2 323.314 3.449 20 10 DGCDLO Oc1cc2ccccc2cc1C[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001236834221 1099821032 /nfs/dbraw/zinc/82/10/32/1099821032.db2.gz UXTVDOPRJGEBCR-DZKIICNBSA-N 1 2 323.314 3.449 20 10 DGCDLO CCOc1ccc(C[NH+]2CC(OCc3ccccc3)C2)c(O)c1 ZINC001237041476 1099939070 /nfs/dbraw/zinc/93/90/70/1099939070.db2.gz LKGGBHSDQQPQHE-UHFFFAOYSA-N 1 2 313.397 3.192 20 10 DGCDLO CC(C)c1ccc(C[N@@H+]2CCOC[C@H]2c2cccnc2)c(O)c1 ZINC001237056158 1099947153 /nfs/dbraw/zinc/94/71/53/1099947153.db2.gz UMRRUOIGXOFECK-SFHVURJKSA-N 1 2 312.413 3.484 20 10 DGCDLO CC(C)c1ccc(C[N@H+]2CCOC[C@H]2c2cccnc2)c(O)c1 ZINC001237056158 1099947164 /nfs/dbraw/zinc/94/71/64/1099947164.db2.gz UMRRUOIGXOFECK-SFHVURJKSA-N 1 2 312.413 3.484 20 10 DGCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001237127008 1099983675 /nfs/dbraw/zinc/98/36/75/1099983675.db2.gz SAKOZWUIMAEDIB-ZDUSSCGKSA-N 1 2 307.756 3.312 20 10 DGCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC001237127008 1099983682 /nfs/dbraw/zinc/98/36/82/1099983682.db2.gz SAKOZWUIMAEDIB-ZDUSSCGKSA-N 1 2 307.756 3.312 20 10 DGCDLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(Cc2ccc(N)cc2)CC1 ZINC001237276342 1100057121 /nfs/dbraw/zinc/05/71/21/1100057121.db2.gz VIRGRHOIKVPUFT-OAHLLOKOSA-N 1 2 313.420 3.287 20 10 DGCDLO Cc1cccc(O)c1C[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001237493284 1100144060 /nfs/dbraw/zinc/14/40/60/1100144060.db2.gz XFQSLZFUGGBPGN-UHFFFAOYSA-N 1 2 305.381 3.402 20 10 DGCDLO Cc1cccc(O)c1C[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001237493284 1100144064 /nfs/dbraw/zinc/14/40/64/1100144064.db2.gz XFQSLZFUGGBPGN-UHFFFAOYSA-N 1 2 305.381 3.402 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001237621087 1100190368 /nfs/dbraw/zinc/19/03/68/1100190368.db2.gz TZVOBSQKBJVROY-AWEZNQCLSA-N 1 2 322.767 3.233 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001237621087 1100190372 /nfs/dbraw/zinc/19/03/72/1100190372.db2.gz TZVOBSQKBJVROY-AWEZNQCLSA-N 1 2 322.767 3.233 20 10 DGCDLO CC1(C)C[N@H+](Cc2cc(Cl)cc(F)c2O)[C@@](C)(CO)C1 ZINC001237617179 1100190586 /nfs/dbraw/zinc/19/05/86/1100190586.db2.gz MBLSFFHCNOUPSJ-OAHLLOKOSA-N 1 2 301.789 3.168 20 10 DGCDLO CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2O)[C@@](C)(CO)C1 ZINC001237617179 1100190590 /nfs/dbraw/zinc/19/05/90/1100190590.db2.gz MBLSFFHCNOUPSJ-OAHLLOKOSA-N 1 2 301.789 3.168 20 10 DGCDLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Br)c(C)cc1O ZINC001237684343 1100215239 /nfs/dbraw/zinc/21/52/39/1100215239.db2.gz IRTXAUVVZDNULK-ZDUSSCGKSA-N 1 2 312.207 3.017 20 10 DGCDLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Br)c(C)cc1O ZINC001237684343 1100215242 /nfs/dbraw/zinc/21/52/42/1100215242.db2.gz IRTXAUVVZDNULK-ZDUSSCGKSA-N 1 2 312.207 3.017 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[NH+]1CCC(c2ncccn2)CC1 ZINC001237798283 1100250111 /nfs/dbraw/zinc/25/01/11/1100250111.db2.gz CYEXGQCIFUGARQ-UHFFFAOYSA-N 1 2 321.783 3.354 20 10 DGCDLO CC1(C)C[N@H+](Cc2cc(F)cc(Cl)c2O)[C@](C)(CO)C1 ZINC001237808166 1100253481 /nfs/dbraw/zinc/25/34/81/1100253481.db2.gz RQZOFVCRKAVFEJ-HNNXBMFYSA-N 1 2 301.789 3.168 20 10 DGCDLO CC1(C)C[N@@H+](Cc2cc(F)cc(Cl)c2O)[C@](C)(CO)C1 ZINC001237808166 1100253484 /nfs/dbraw/zinc/25/34/84/1100253484.db2.gz RQZOFVCRKAVFEJ-HNNXBMFYSA-N 1 2 301.789 3.168 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001237812778 1100254890 /nfs/dbraw/zinc/25/48/90/1100254890.db2.gz HNRMFDWDFFWBAA-AWEZNQCLSA-N 1 2 322.767 3.233 20 10 DGCDLO C[C@@H]1CC[C@H](C[NH3+])N(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC001205804630 1101561244 /nfs/dbraw/zinc/56/12/44/1101561244.db2.gz NZPLBTOGHMRPNN-BXKDBHETSA-N 1 2 303.233 3.258 20 10 DGCDLO Cc1cc(N2CCOCC2)[nH+]cc1-c1cccc2c1ccn2C ZINC001241821568 1101728925 /nfs/dbraw/zinc/72/89/25/1101728925.db2.gz IMECANVTUCHYIY-UHFFFAOYSA-N 1 2 307.397 3.385 20 10 DGCDLO CCOc1ncccc1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001199178894 1102079804 /nfs/dbraw/zinc/07/98/04/1102079804.db2.gz KJCRHOPZOOSHRQ-UHFFFAOYSA-N 1 2 310.756 3.268 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1ccc(Cl)nc1)CCC2 ZINC001137168614 1104033009 /nfs/dbraw/zinc/03/30/09/1104033009.db2.gz ICFYBXFWKPDMBY-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1ccc(Cl)nc1)CCC2 ZINC001137168614 1104033017 /nfs/dbraw/zinc/03/30/17/1104033017.db2.gz ICFYBXFWKPDMBY-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1cc(F)cc(F)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001275307188 1104717431 /nfs/dbraw/zinc/71/74/31/1104717431.db2.gz ZDXILASDOQAPHZ-GASCZTMLSA-N 1 2 322.399 3.262 20 10 DGCDLO Oc1cc(F)cc(F)c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001275307188 1104717438 /nfs/dbraw/zinc/71/74/38/1104717438.db2.gz ZDXILASDOQAPHZ-GASCZTMLSA-N 1 2 322.399 3.262 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2ccc(Br)cc2O)[C@H](C)CO1 ZINC000701194742 1108902802 /nfs/dbraw/zinc/90/28/02/1108902802.db2.gz WJGYQVMVLJUBST-MFKMUULPSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)[C@H](C)CO1 ZINC000701194742 1108902811 /nfs/dbraw/zinc/90/28/11/1108902811.db2.gz WJGYQVMVLJUBST-MFKMUULPSA-N 1 2 314.223 3.154 20 10 DGCDLO Cc1cc(C)n(CCC[NH2+]Cc2cc(Cl)cc(F)c2O)n1 ZINC001308176921 1111391431 /nfs/dbraw/zinc/39/14/31/1111391431.db2.gz QPFFVNQMDPZJBP-UHFFFAOYSA-N 1 2 311.788 3.178 20 10 DGCDLO CCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)OCC ZINC001308579878 1111447400 /nfs/dbraw/zinc/44/74/00/1111447400.db2.gz JKNBCZWJKBNPIB-BQYQJAHWSA-N 1 2 304.434 3.041 20 10 DGCDLO CCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)OCC ZINC001308579878 1111447402 /nfs/dbraw/zinc/44/74/02/1111447402.db2.gz JKNBCZWJKBNPIB-BQYQJAHWSA-N 1 2 304.434 3.041 20 10 DGCDLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000180282078 432082496 /nfs/dbraw/zinc/08/24/96/432082496.db2.gz IDBPAJHFPWKNTH-INIZCTEOSA-N 1 2 303.789 3.137 20 10 DGCDLO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(Cl)c(Cl)c1O ZINC000185831024 299353046 /nfs/dbraw/zinc/35/30/46/299353046.db2.gz HEYRDFHRTPGKHM-LPEHRKFASA-N 1 2 302.201 3.287 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)[C@H](O)c1ccccc1 ZINC000290157011 296150181 /nfs/dbraw/zinc/15/01/81/296150181.db2.gz DARSAOLTIPTFHH-USBNGQNGSA-N 1 2 307.340 3.443 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273379225 130113835 /nfs/dbraw/zinc/11/38/35/130113835.db2.gz HUJWQENDLBJLKT-NEPJUHHUSA-N 1 2 316.357 3.205 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(Cl)c(Cl)c1O ZINC000273568654 130139206 /nfs/dbraw/zinc/13/92/06/130139206.db2.gz KDSLJHUWDRDUCR-SFYZADRCSA-N 1 2 315.204 3.239 20 10 DGCDLO CN(C)c1ccc(C[N@H+](Cc2c(Cl)cnn2C)C2CC2)cc1 ZINC000275680066 130361175 /nfs/dbraw/zinc/36/11/75/130361175.db2.gz HJOYVZRDPCGYAO-UHFFFAOYSA-N 1 2 318.852 3.304 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](Cc2c(Cl)cnn2C)C2CC2)cc1 ZINC000275680066 130361179 /nfs/dbraw/zinc/36/11/79/130361179.db2.gz HJOYVZRDPCGYAO-UHFFFAOYSA-N 1 2 318.852 3.304 20 10 DGCDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1Cc1ccccc1O ZINC000290458350 278113120 /nfs/dbraw/zinc/11/31/20/278113120.db2.gz MXESQPKIABMPCL-CYBMUJFWSA-N 1 2 312.417 3.218 20 10 DGCDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1Cc1ccccc1O ZINC000290458350 278113123 /nfs/dbraw/zinc/11/31/23/278113123.db2.gz MXESQPKIABMPCL-CYBMUJFWSA-N 1 2 312.417 3.218 20 10 DGCDLO CC[C@H]([NH2+]C[C@@H](COC)OC)c1cc(Cl)cc(Cl)c1O ZINC000287885160 288044047 /nfs/dbraw/zinc/04/40/47/288044047.db2.gz YQSCOFXIGFNFNR-GWCFXTLKSA-N 1 2 322.232 3.401 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)[C@@H](CO)SC)c1cccc(Cl)c1O ZINC000287880048 288060166 /nfs/dbraw/zinc/06/01/66/288060166.db2.gz YJJFFURRLZCOOZ-TVYUQYBPSA-N 1 2 303.855 3.199 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)[C@@H](O)C(F)(F)F ZINC000276912643 288081130 /nfs/dbraw/zinc/08/11/30/288081130.db2.gz LANINZNLCJTYNB-PUQNFTFYSA-N 1 2 313.266 3.023 20 10 DGCDLO Cc1nc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)oc1C ZINC000109761768 431178824 /nfs/dbraw/zinc/17/88/24/431178824.db2.gz BGZSZSIJJJSJEF-INIZCTEOSA-N 1 2 316.401 3.178 20 10 DGCDLO Cc1nc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)oc1C ZINC000109761768 431178832 /nfs/dbraw/zinc/17/88/32/431178832.db2.gz BGZSZSIJJJSJEF-INIZCTEOSA-N 1 2 316.401 3.178 20 10 DGCDLO Cc1nnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000271408328 432389985 /nfs/dbraw/zinc/38/99/85/432389985.db2.gz JMERPTDWZAHDIG-UHFFFAOYSA-N 1 2 302.447 3.077 20 10 DGCDLO Cc1nnc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000271408328 432389989 /nfs/dbraw/zinc/38/99/89/432389989.db2.gz JMERPTDWZAHDIG-UHFFFAOYSA-N 1 2 302.447 3.077 20 10 DGCDLO Oc1ccccc1C[N@@H+](Cc1cscn1)C[C@@H]1CCCO1 ZINC000176799392 432554246 /nfs/dbraw/zinc/55/42/46/432554246.db2.gz NUJUXTXEAMFPTN-HNNXBMFYSA-N 1 2 304.415 3.030 20 10 DGCDLO COCC1=CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000185846520 432538342 /nfs/dbraw/zinc/53/83/42/432538342.db2.gz RWPOTJNKORWORS-UHFFFAOYSA-N 1 2 309.793 3.027 20 10 DGCDLO COCC1=CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000185846520 432538344 /nfs/dbraw/zinc/53/83/44/432538344.db2.gz RWPOTJNKORWORS-UHFFFAOYSA-N 1 2 309.793 3.027 20 10 DGCDLO Cc1cc(C(=O)NCc2[nH+]ccn2C)c(C)n1-c1cccc(C)c1 ZINC000264309915 432633922 /nfs/dbraw/zinc/63/39/22/432633922.db2.gz NIYDXFMCSDACFV-UHFFFAOYSA-N 1 2 322.412 3.066 20 10 DGCDLO Cc1cc(NCc2ccc(N3CCOCC3)cc2)nc(C2CC2)[nH+]1 ZINC000264647990 432661529 /nfs/dbraw/zinc/66/15/29/432661529.db2.gz OCDXWUUVXIPUIL-UHFFFAOYSA-N 1 2 324.428 3.111 20 10 DGCDLO COCC1=CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000187620446 432673440 /nfs/dbraw/zinc/67/34/40/432673440.db2.gz BIDHQOZLMPFOEV-UHFFFAOYSA-N 1 2 302.201 3.478 20 10 DGCDLO COCC1=CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000187620446 432673442 /nfs/dbraw/zinc/67/34/42/432673442.db2.gz BIDHQOZLMPFOEV-UHFFFAOYSA-N 1 2 302.201 3.478 20 10 DGCDLO C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1O ZINC000187668265 432676609 /nfs/dbraw/zinc/67/66/09/432676609.db2.gz SLWAMUIRHJUYQT-XPTSAGLGSA-N 1 2 311.303 3.194 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(F)c(F)c1O ZINC000276904120 432827479 /nfs/dbraw/zinc/82/74/79/432827479.db2.gz JMNAULHAZZTKPP-OCCSQVGLSA-N 1 2 321.367 3.315 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000289983641 432981317 /nfs/dbraw/zinc/98/13/17/432981317.db2.gz BUZCWFLOYSLESD-UHFFFAOYSA-N 1 2 317.820 3.331 20 10 DGCDLO Cc1cc(O)c(C[NH2+][C@@H](C)c2noc(COC(C)C)n2)cc1C ZINC000291035667 433217304 /nfs/dbraw/zinc/21/73/04/433217304.db2.gz YTQHNFWNPILDKB-ZDUSSCGKSA-N 1 2 319.405 3.168 20 10 DGCDLO CN(C)c1ccc(CNc2nc(N)c3ccccc3[nH+]2)cc1F ZINC000301796600 433727169 /nfs/dbraw/zinc/72/71/69/433727169.db2.gz AKXCUDCRSRTRHJ-UHFFFAOYSA-N 1 2 311.364 3.029 20 10 DGCDLO COc1ccc([NH+]2CCC(Nc3ncncc3Cl)CC2)cc1 ZINC000302516165 433824408 /nfs/dbraw/zinc/82/44/08/433824408.db2.gz ALGVGDLNIRIGHB-UHFFFAOYSA-N 1 2 318.808 3.220 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)c1O ZINC000362847823 433883360 /nfs/dbraw/zinc/88/33/60/433883360.db2.gz QPIIZVNIXPASTB-INIZCTEOSA-N 1 2 318.348 3.367 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2c2cc(C)on2)c1O ZINC000362847823 433883370 /nfs/dbraw/zinc/88/33/70/433883370.db2.gz QPIIZVNIXPASTB-INIZCTEOSA-N 1 2 318.348 3.367 20 10 DGCDLO CN(C)c1ccc(CN2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1F ZINC000294706788 434127085 /nfs/dbraw/zinc/12/70/85/434127085.db2.gz DJBSFYQVUBBLJL-MRXNPFEDSA-N 1 2 316.424 3.208 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000367047490 434535920 /nfs/dbraw/zinc/53/59/20/434535920.db2.gz JWDIECWFONOARZ-CQSZACIVSA-N 1 2 302.201 3.454 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC000367047490 434535927 /nfs/dbraw/zinc/53/59/27/434535927.db2.gz JWDIECWFONOARZ-CQSZACIVSA-N 1 2 302.201 3.454 20 10 DGCDLO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2noc(C)n2)c1O ZINC000372838962 434857746 /nfs/dbraw/zinc/85/77/46/434857746.db2.gz RHUNUIMZAIMUPI-CQSZACIVSA-N 1 2 317.389 3.210 20 10 DGCDLO CCOc1cccc(C[N@H+]2CCCC[C@@H]2c2noc(C)n2)c1O ZINC000372838962 434857748 /nfs/dbraw/zinc/85/77/48/434857748.db2.gz RHUNUIMZAIMUPI-CQSZACIVSA-N 1 2 317.389 3.210 20 10 DGCDLO CCn1nncc1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000527918861 435016977 /nfs/dbraw/zinc/01/69/77/435016977.db2.gz FERLAAWUBVTELD-QMMMGPOBSA-N 1 2 315.204 3.161 20 10 DGCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCc2c(OC(F)F)cccc21 ZINC000493189371 435122599 /nfs/dbraw/zinc/12/25/99/435122599.db2.gz MDHWPNDEGHRLLG-SREVYHEPSA-N 1 2 319.311 3.004 20 10 DGCDLO Cn1ccc(/C=C/C(=O)N(Cc2[nH]cc[nH+]2)c2cccc(F)c2)c1 ZINC000493387508 435161365 /nfs/dbraw/zinc/16/13/65/435161365.db2.gz MNWQPFZUQFMNHL-AATRIKPKSA-N 1 2 324.359 3.134 20 10 DGCDLO CSC1(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000193658561 525334269 /nfs/dbraw/zinc/33/42/69/525334269.db2.gz YABSOZZEQFSUBN-UHFFFAOYSA-N 1 2 302.237 3.140 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1nc(C(C)(C)C)no1 ZINC000742390882 574995663 /nfs/dbraw/zinc/99/56/63/574995663.db2.gz SUXDHXBJCQOQGO-LLVKDONJSA-N 1 2 320.412 3.423 20 10 DGCDLO COc1ccc([NH+]2CCC(NC(=O)c3cccc(C)c3)CC2)cc1 ZINC000726562653 576031345 /nfs/dbraw/zinc/03/13/45/576031345.db2.gz RVHCXXJMYMAORY-UHFFFAOYSA-N 1 2 324.424 3.402 20 10 DGCDLO CCN(C)c1ccc(C[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1 ZINC000852741210 620644464 /nfs/dbraw/zinc/64/44/64/620644464.db2.gz XTVUBQZFVIDPFB-HNNXBMFYSA-N 1 2 316.367 3.296 20 10 DGCDLO CCN(C)c1ccc(C[N@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1 ZINC000852741210 620644467 /nfs/dbraw/zinc/64/44/67/620644467.db2.gz XTVUBQZFVIDPFB-HNNXBMFYSA-N 1 2 316.367 3.296 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000894885372 618488084 /nfs/dbraw/zinc/48/80/84/618488084.db2.gz BPDXNFGRTRKGGN-IMJJTQAJSA-N 1 2 311.372 3.186 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000894885372 618488087 /nfs/dbraw/zinc/48/80/87/618488087.db2.gz BPDXNFGRTRKGGN-IMJJTQAJSA-N 1 2 311.372 3.186 20 10 DGCDLO CO[C@](C)([C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000840961028 618639241 /nfs/dbraw/zinc/63/92/41/618639241.db2.gz PKBJIANFXWJULI-RFAUZJTJSA-N 1 2 301.789 3.478 20 10 DGCDLO CCC[N@H+](CCO)Cc1cc(Cl)cc(Br)c1O ZINC000893896702 618673885 /nfs/dbraw/zinc/67/38/85/618673885.db2.gz VXANJGWHKFGSRT-UHFFFAOYSA-N 1 2 322.630 3.012 20 10 DGCDLO CCC[N@@H+](CCO)Cc1cc(Cl)cc(Br)c1O ZINC000893896702 618673889 /nfs/dbraw/zinc/67/38/89/618673889.db2.gz VXANJGWHKFGSRT-UHFFFAOYSA-N 1 2 322.630 3.012 20 10 DGCDLO COc1ccc(C[NH2+]CC(F)(F)c2ccccc2)c(O)c1OC ZINC000893956503 618682744 /nfs/dbraw/zinc/68/27/44/618682744.db2.gz DNTORFBPJRCZOM-UHFFFAOYSA-N 1 2 323.339 3.291 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000896599049 618932717 /nfs/dbraw/zinc/93/27/17/618932717.db2.gz NVJCYLBYUFZUCU-ZDUSSCGKSA-N 1 2 307.756 3.216 20 10 DGCDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(O)cccc1F ZINC000896642461 618938039 /nfs/dbraw/zinc/93/80/39/618938039.db2.gz WZSDWGNFIPJVNO-UHFFFAOYSA-N 1 2 320.320 3.128 20 10 DGCDLO CCn1cnc2c1CC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000897336683 619062560 /nfs/dbraw/zinc/06/25/60/619062560.db2.gz LCYXJFWMRXHEAB-UHFFFAOYSA-N 1 2 324.472 3.452 20 10 DGCDLO CCn1cnc2c1CC[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000897336683 619062562 /nfs/dbraw/zinc/06/25/62/619062562.db2.gz LCYXJFWMRXHEAB-UHFFFAOYSA-N 1 2 324.472 3.452 20 10 DGCDLO Cc1noc(C[C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000897579265 619162425 /nfs/dbraw/zinc/16/24/25/619162425.db2.gz SFPKFFCRUSPBFB-GFCCVEGCSA-N 1 2 321.808 3.192 20 10 DGCDLO Cc1noc(C[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000897579265 619162427 /nfs/dbraw/zinc/16/24/27/619162427.db2.gz SFPKFFCRUSPBFB-GFCCVEGCSA-N 1 2 321.808 3.192 20 10 DGCDLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000898216197 619222453 /nfs/dbraw/zinc/22/24/53/619222453.db2.gz WEAFTGDHYXXMJX-UHFFFAOYSA-N 1 2 300.189 3.274 20 10 DGCDLO COC(=O)C1CCC([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000898610881 619288276 /nfs/dbraw/zinc/28/82/76/619288276.db2.gz HAIAWXXPACFEHI-UHFFFAOYSA-N 1 2 315.772 3.006 20 10 DGCDLO Cc1cc(C)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)[nH+]1 ZINC000905449442 619997503 /nfs/dbraw/zinc/99/75/03/619997503.db2.gz WNEVWKGWMFJRBN-UHFFFAOYSA-N 1 2 311.429 3.345 20 10 DGCDLO CC(C)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000914581413 620543261 /nfs/dbraw/zinc/54/32/61/620543261.db2.gz CXEQFDSPVRHUMV-UHFFFAOYSA-N 1 2 301.478 3.203 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000922520846 621050160 /nfs/dbraw/zinc/05/01/60/621050160.db2.gz FTHCCNVIDWBIQF-HIFRSBDPSA-N 1 2 309.287 3.232 20 10 DGCDLO [NH3+][C@@]12CCC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC000857226190 621071598 /nfs/dbraw/zinc/07/15/98/621071598.db2.gz HEZVXNRECLIZAQ-IINYFYTJSA-N 1 2 301.217 3.012 20 10 DGCDLO COCCC1(C)C[NH+](Cc2cccc(Br)c2O)C1 ZINC000839143027 621340949 /nfs/dbraw/zinc/34/09/49/621340949.db2.gz NTNCSZXWEXBBLS-UHFFFAOYSA-N 1 2 314.223 3.013 20 10 DGCDLO CC[N@H+](Cc1ccccn1)Cc1cc(F)c(N(C)C)cc1F ZINC000862244019 621566633 /nfs/dbraw/zinc/56/66/33/621566633.db2.gz IBUQTYFWMMKVNB-UHFFFAOYSA-N 1 2 305.372 3.448 20 10 DGCDLO CC[N@@H+](Cc1ccccn1)Cc1cc(F)c(N(C)C)cc1F ZINC000862244019 621566635 /nfs/dbraw/zinc/56/66/35/621566635.db2.gz IBUQTYFWMMKVNB-UHFFFAOYSA-N 1 2 305.372 3.448 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)[C@@H](C)[C@@H](C)O1 ZINC000862337551 621575861 /nfs/dbraw/zinc/57/58/61/621575861.db2.gz WYVPKAQWTFZCIK-OUAUKWLOSA-N 1 2 314.223 3.152 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)[C@@H](C)[C@@H](C)O1 ZINC000862337551 621575863 /nfs/dbraw/zinc/57/58/63/621575863.db2.gz WYVPKAQWTFZCIK-OUAUKWLOSA-N 1 2 314.223 3.152 20 10 DGCDLO COC[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000756343399 621629616 /nfs/dbraw/zinc/62/96/16/621629616.db2.gz YTFOSITWSBKGNJ-HTQZYQBOSA-N 1 2 322.630 3.494 20 10 DGCDLO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756381544 621633377 /nfs/dbraw/zinc/63/33/77/621633377.db2.gz MSIXEYXREKCAQW-QFYYESIMSA-N 1 2 323.339 3.063 20 10 DGCDLO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756461539 621640187 /nfs/dbraw/zinc/64/01/87/621640187.db2.gz UIBILNSCGGZCJT-MEDUHNTESA-N 1 2 307.340 3.363 20 10 DGCDLO C[C@H]([NH2+]CCN1Cc2ccccc2C1)c1cc(F)cc(F)c1O ZINC000756479438 621640758 /nfs/dbraw/zinc/64/07/58/621640758.db2.gz MWKCVBJKUHADHM-LBPRGKRZSA-N 1 2 318.367 3.337 20 10 DGCDLO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756571683 621650023 /nfs/dbraw/zinc/65/00/23/621650023.db2.gz IYGPHZSLOPCROJ-DIFFPNOSSA-N 1 2 307.340 3.229 20 10 DGCDLO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756571684 621650414 /nfs/dbraw/zinc/65/04/14/621650414.db2.gz IYGPHZSLOPCROJ-GTNSWQLSSA-N 1 2 307.340 3.229 20 10 DGCDLO C[C@H]([NH2+]Cc1ccon1)c1cc(Br)c(F)cc1O ZINC000756637687 621654574 /nfs/dbraw/zinc/65/45/74/621654574.db2.gz ONMMBYJNNRTVKP-ZETCQYMHSA-N 1 2 315.142 3.133 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccon1)c1cc(Br)cc(F)c1O ZINC000756635740 621654602 /nfs/dbraw/zinc/65/46/02/621654602.db2.gz HIHIAHHMTZQDKN-SSDOTTSWSA-N 1 2 315.142 3.133 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000756757922 621662939 /nfs/dbraw/zinc/66/29/39/621662939.db2.gz DAGZSCJAORNDQK-PRXAMGSTSA-N 1 2 321.367 3.313 20 10 DGCDLO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000809756349 621999885 /nfs/dbraw/zinc/99/98/85/621999885.db2.gz GNVWTXCBSFCVEE-HNNXBMFYSA-N 1 2 301.789 3.312 20 10 DGCDLO C[C@@]1(CCCO)CCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000809756349 621999889 /nfs/dbraw/zinc/99/98/89/621999889.db2.gz GNVWTXCBSFCVEE-HNNXBMFYSA-N 1 2 301.789 3.312 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCc3cc(F)ccc3C2)c1O ZINC000768810869 622478869 /nfs/dbraw/zinc/47/88/69/622478869.db2.gz DURCBHBUYPRZRC-UHFFFAOYSA-N 1 2 317.335 3.431 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCc3cc(F)ccc3C2)c1O ZINC000768810869 622478871 /nfs/dbraw/zinc/47/88/71/622478871.db2.gz DURCBHBUYPRZRC-UHFFFAOYSA-N 1 2 317.335 3.431 20 10 DGCDLO CCCOc1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1C ZINC000873130692 623042594 /nfs/dbraw/zinc/04/25/94/623042594.db2.gz GEIYKVZGOXFZEN-UHFFFAOYSA-N 1 2 307.825 3.461 20 10 DGCDLO CCN(C)c1ccc(CN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000773734984 623065332 /nfs/dbraw/zinc/06/53/32/623065332.db2.gz VIVQOYZWIYNYMS-UHFFFAOYSA-N 1 2 313.445 3.054 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000775157872 623236878 /nfs/dbraw/zinc/23/68/78/623236878.db2.gz KXGJWKQZHNWIPD-AWEZNQCLSA-N 1 2 312.816 3.291 20 10 DGCDLO Cn1nccc1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775660774 623307856 /nfs/dbraw/zinc/30/78/56/623307856.db2.gz YFGBQVVSNWOPMA-NSHDSACASA-N 1 2 323.799 3.298 20 10 DGCDLO Cn1nccc1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775660774 623307859 /nfs/dbraw/zinc/30/78/59/623307859.db2.gz YFGBQVVSNWOPMA-NSHDSACASA-N 1 2 323.799 3.298 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)[C@@H](CC)CN1C(C)=O ZINC000775720274 623318224 /nfs/dbraw/zinc/31/82/24/623318224.db2.gz KPMKHXMBXUQURR-LSDHHAIUSA-N 1 2 324.852 3.267 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)[C@@H](CC)CN1C(C)=O ZINC000775720274 623318228 /nfs/dbraw/zinc/31/82/28/623318228.db2.gz KPMKHXMBXUQURR-LSDHHAIUSA-N 1 2 324.852 3.267 20 10 DGCDLO C[N@H+](CCC1CCOCC1)Cc1cc(Cl)cc(F)c1O ZINC000775714561 623318507 /nfs/dbraw/zinc/31/85/07/623318507.db2.gz SPEGHEYLSNXOCF-UHFFFAOYSA-N 1 2 301.789 3.433 20 10 DGCDLO C[N@@H+](CCC1CCOCC1)Cc1cc(Cl)cc(F)c1O ZINC000775714561 623318509 /nfs/dbraw/zinc/31/85/09/623318509.db2.gz SPEGHEYLSNXOCF-UHFFFAOYSA-N 1 2 301.789 3.433 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1n1ccnc1 ZINC000775738244 623321594 /nfs/dbraw/zinc/32/15/94/623321594.db2.gz XFUNCAWPVZPHIU-ABAIWWIYSA-N 1 2 323.799 3.464 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1n1ccnc1 ZINC000775738244 623321602 /nfs/dbraw/zinc/32/16/02/623321602.db2.gz XFUNCAWPVZPHIU-ABAIWWIYSA-N 1 2 323.799 3.464 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1n1ccnc1 ZINC000775738247 623321674 /nfs/dbraw/zinc/32/16/74/623321674.db2.gz XFUNCAWPVZPHIU-XHDPSFHLSA-N 1 2 323.799 3.464 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1n1ccnc1 ZINC000775738247 623321677 /nfs/dbraw/zinc/32/16/77/623321677.db2.gz XFUNCAWPVZPHIU-XHDPSFHLSA-N 1 2 323.799 3.464 20 10 DGCDLO CC(=O)Nc1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000775990673 623362356 /nfs/dbraw/zinc/36/23/56/623362356.db2.gz VABKVEIUZSUJGZ-UHFFFAOYSA-N 1 2 304.777 3.294 20 10 DGCDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000776004233 623363652 /nfs/dbraw/zinc/36/36/52/623363652.db2.gz ZUBSJACONAMFAD-IINYFYTJSA-N 1 2 311.809 3.128 20 10 DGCDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000776004233 623363656 /nfs/dbraw/zinc/36/36/56/623363656.db2.gz ZUBSJACONAMFAD-IINYFYTJSA-N 1 2 311.809 3.128 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1cc(F)cc(F)c1O ZINC000790495874 625660938 /nfs/dbraw/zinc/66/09/38/625660938.db2.gz CZEMILOMOBHVDA-NHYWBVRUSA-N 1 2 312.404 3.441 20 10 DGCDLO CCOC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000779070975 623727570 /nfs/dbraw/zinc/72/75/70/623727570.db2.gz CEBKWMTYPAIVBE-IUCAKERBSA-N 1 2 320.202 3.369 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H]1CCCC[C@H]1O ZINC000779154989 623735476 /nfs/dbraw/zinc/73/54/76/623735476.db2.gz XVRDFQAPQLYSJS-IINYFYTJSA-N 1 2 301.789 3.168 20 10 DGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H]1CCCC[C@H]1O ZINC000779154989 623735478 /nfs/dbraw/zinc/73/54/78/623735478.db2.gz XVRDFQAPQLYSJS-IINYFYTJSA-N 1 2 301.789 3.168 20 10 DGCDLO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cccc(Cl)c1O ZINC000779432190 623770294 /nfs/dbraw/zinc/77/02/94/623770294.db2.gz NLCKCGIOSRQTPV-WBMJQRKESA-N 1 2 311.809 3.257 20 10 DGCDLO Cc1cccc(O)c1C[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000877573286 623948773 /nfs/dbraw/zinc/94/87/73/623948773.db2.gz NYIUBYHZKJJUTC-UHFFFAOYSA-N 1 2 306.431 3.017 20 10 DGCDLO Cc1cccc(O)c1C[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000877573286 623948778 /nfs/dbraw/zinc/94/87/78/623948778.db2.gz NYIUBYHZKJJUTC-UHFFFAOYSA-N 1 2 306.431 3.017 20 10 DGCDLO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cccc(Cl)c1O ZINC000877696723 623994903 /nfs/dbraw/zinc/99/49/03/623994903.db2.gz WWRONMJMIZFUBP-KRWDZBQOSA-N 1 2 323.795 3.268 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000877709474 624000774 /nfs/dbraw/zinc/00/07/74/624000774.db2.gz ACVJSGXYCKQKLH-NHYWBVRUSA-N 1 2 313.800 3.480 20 10 DGCDLO CC(C)(O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000877796717 624037906 /nfs/dbraw/zinc/03/79/06/624037906.db2.gz KOQUSEARFDZZSZ-NSHDSACASA-N 1 2 301.789 3.168 20 10 DGCDLO CC(C)(O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000877796717 624037908 /nfs/dbraw/zinc/03/79/08/624037908.db2.gz KOQUSEARFDZZSZ-NSHDSACASA-N 1 2 301.789 3.168 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000781896039 624166619 /nfs/dbraw/zinc/16/66/19/624166619.db2.gz GMJHFZOKHPYCSJ-QWRGUYRKSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000781896039 624166620 /nfs/dbraw/zinc/16/66/20/624166620.db2.gz GMJHFZOKHPYCSJ-QWRGUYRKSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@H](C)[C@H]2C)c1 ZINC000781908685 624169224 /nfs/dbraw/zinc/16/92/24/624169224.db2.gz KXKKEUVQFXMZSF-GHMZBOCLSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@H](C)[C@H]2C)c1 ZINC000781908685 624169227 /nfs/dbraw/zinc/16/92/27/624169227.db2.gz KXKKEUVQFXMZSF-GHMZBOCLSA-N 1 2 314.223 3.072 20 10 DGCDLO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)C2CC2)c1 ZINC000878360767 624256111 /nfs/dbraw/zinc/25/61/11/624256111.db2.gz RJPPGARLVXSVKC-BZNIZROVSA-N 1 2 321.417 3.172 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C(=O)NC)c1cccc(Cl)c1O ZINC000806150154 624913167 /nfs/dbraw/zinc/91/31/67/624913167.db2.gz MHIZBAIZENNQKA-UBHSHLNASA-N 1 2 310.825 3.001 20 10 DGCDLO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000786583254 624926002 /nfs/dbraw/zinc/92/60/02/624926002.db2.gz QBQUBEUZUOQOMZ-IUODEOHRSA-N 1 2 321.367 3.233 20 10 DGCDLO C[C@@H](O)CCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000788604267 625225076 /nfs/dbraw/zinc/22/50/76/625225076.db2.gz JGIRTHKKNHAORR-RKDXNWHRSA-N 1 2 320.202 3.105 20 10 DGCDLO COc1cnccc1[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790993323 625733634 /nfs/dbraw/zinc/73/36/34/625733634.db2.gz TXAQEEUCKBSMJU-VIFPVBQESA-N 1 2 310.756 3.439 20 10 DGCDLO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000798089326 626193496 /nfs/dbraw/zinc/19/34/96/626193496.db2.gz QKPYOTRLBNNQSV-SKDRFNHKSA-N 1 2 315.772 3.006 20 10 DGCDLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1O ZINC000806130350 626700503 /nfs/dbraw/zinc/70/05/03/626700503.db2.gz WDEVCWNFCRQYPH-HUUCEWRRSA-N 1 2 318.804 3.313 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)COCCOC)c1cccc(Cl)c1O ZINC000806147962 626702571 /nfs/dbraw/zinc/70/25/71/626702571.db2.gz PBCKNCDBMREDMW-FZMZJTMJSA-N 1 2 301.814 3.138 20 10 DGCDLO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000806160473 626703177 /nfs/dbraw/zinc/70/31/77/626703177.db2.gz SASKNTTXHBQXFI-QLFBSQMISA-N 1 2 313.825 3.280 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cnn2ccccc12 ZINC000809701114 626938672 /nfs/dbraw/zinc/93/86/72/626938672.db2.gz UKIQVOCPAMPNFG-UHFFFAOYSA-N 1 2 305.740 3.122 20 10 DGCDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cccc(Cl)c1O ZINC000809713806 626940060 /nfs/dbraw/zinc/94/00/60/626940060.db2.gz MBWWIMQXOHWCAQ-UHFFFAOYSA-N 1 2 324.852 3.270 20 10 DGCDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cccc(Cl)c1O ZINC000809713806 626940062 /nfs/dbraw/zinc/94/00/62/626940062.db2.gz MBWWIMQXOHWCAQ-UHFFFAOYSA-N 1 2 324.852 3.270 20 10 DGCDLO COc1cccc(OC)c1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886636151 627177763 /nfs/dbraw/zinc/17/77/63/627177763.db2.gz GSPQTJHVBQPGPP-NSHDSACASA-N 1 2 305.349 3.399 20 10 DGCDLO CC[C@H]([NH2+][C@@H](CO)C[C@@H]1CCCO1)c1cccc(Cl)c1O ZINC000886670388 627185681 /nfs/dbraw/zinc/18/56/81/627185681.db2.gz NWTLAAHDIXNGIK-XUJVJEKNSA-N 1 2 313.825 3.016 20 10 DGCDLO CC1(C)CCC[C@]1(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000816640306 627818586 /nfs/dbraw/zinc/81/85/86/627818586.db2.gz CDWYKVSBFUMWHX-HNNXBMFYSA-N 1 2 301.789 3.216 20 10 DGCDLO CC[C@H]1C[N@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000816660881 627821942 /nfs/dbraw/zinc/82/19/42/627821942.db2.gz SQIAQIMMJWCSNA-LBPRGKRZSA-N 1 2 303.233 3.225 20 10 DGCDLO CC[C@H]1C[N@@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000816660881 627821945 /nfs/dbraw/zinc/82/19/45/627821945.db2.gz SQIAQIMMJWCSNA-LBPRGKRZSA-N 1 2 303.233 3.225 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817949370 627971181 /nfs/dbraw/zinc/97/11/81/627971181.db2.gz JWVDKHVQLMCGHJ-NXEZZACHSA-N 1 2 303.233 3.492 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976525 627981672 /nfs/dbraw/zinc/98/16/72/627981672.db2.gz NAXSHGUDQSWEHR-VGMNWLOBSA-N 1 2 307.196 3.050 20 10 DGCDLO Cc1ccc(NCC[NH2+][C@H](C)c2cc(F)cc(F)c2O)nc1 ZINC000927073701 628008280 /nfs/dbraw/zinc/00/82/80/628008280.db2.gz OFZSYIDOXBUQQJ-LLVKDONJSA-N 1 2 307.344 3.137 20 10 DGCDLO C[C@H]([NH2+][C@@H]1CC12CC2)c1cc(Br)cc(F)c1O ZINC000818355898 628017835 /nfs/dbraw/zinc/01/78/35/628017835.db2.gz KYMRFEMVHOXJFZ-WRWORJQWSA-N 1 2 300.171 3.497 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC1(CF)CCOCC1 ZINC000824795022 628694649 /nfs/dbraw/zinc/69/46/49/628694649.db2.gz KVUGLYDSXHDOFR-UHFFFAOYSA-N 1 2 305.752 3.041 20 10 DGCDLO C[C@@H](CSCCF)[NH2+]Cc1cccc(Br)c1O ZINC000825710338 628788478 /nfs/dbraw/zinc/78/84/78/628788478.db2.gz MFFZFIANNGHJQR-VIFPVBQESA-N 1 2 322.243 3.336 20 10 DGCDLO CCCN(CCC)c1ccc(C[N@H+](C)Cc2cn(C)nn2)cc1 ZINC000827304664 628947233 /nfs/dbraw/zinc/94/72/33/628947233.db2.gz BXNGUAIDKXUCQC-UHFFFAOYSA-N 1 2 315.465 3.074 20 10 DGCDLO CCCN(CCC)c1ccc(C[N@@H+](C)Cc2cn(C)nn2)cc1 ZINC000827304664 628947235 /nfs/dbraw/zinc/94/72/35/628947235.db2.gz BXNGUAIDKXUCQC-UHFFFAOYSA-N 1 2 315.465 3.074 20 10 DGCDLO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cccc(Cl)c2O)cn1 ZINC000827322053 628949043 /nfs/dbraw/zinc/94/90/43/628949043.db2.gz STIHDXIJTCFBJL-BBRMVZONSA-N 1 2 319.836 3.280 20 10 DGCDLO COc1ccc(O)c(C[NH2+]CC(F)(F)c2ccc(F)cc2)c1 ZINC000827612975 628977041 /nfs/dbraw/zinc/97/70/41/628977041.db2.gz JOBMULZCKXWQRN-UHFFFAOYSA-N 1 2 311.303 3.422 20 10 DGCDLO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(Cl)c1O ZINC000827733792 628986268 /nfs/dbraw/zinc/98/62/68/628986268.db2.gz OHOJNGWSMLSTKV-MLGOLLRUSA-N 1 2 305.805 3.300 20 10 DGCDLO CC(C)C[C@H](C(=O)N[C@H](C)c1ccccc1O)n1cc[nH+]c1 ZINC000827952304 629006940 /nfs/dbraw/zinc/00/69/40/629006940.db2.gz NBXKIDBRRDXXPH-UKRRQHHQSA-N 1 2 301.390 3.053 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000835027980 629829131 /nfs/dbraw/zinc/82/91/31/629829131.db2.gz HUGOUPQXWQQPOO-UABKOXTMSA-N 1 2 312.413 3.432 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000835027980 629829133 /nfs/dbraw/zinc/82/91/33/629829133.db2.gz HUGOUPQXWQQPOO-UABKOXTMSA-N 1 2 312.413 3.432 20 10 DGCDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000840974917 630389305 /nfs/dbraw/zinc/38/93/05/630389305.db2.gz QKHISMWVMPRMEC-AWEZNQCLSA-N 1 2 322.836 3.023 20 10 DGCDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000840974917 630389307 /nfs/dbraw/zinc/38/93/07/630389307.db2.gz QKHISMWVMPRMEC-AWEZNQCLSA-N 1 2 322.836 3.023 20 10 DGCDLO Oc1cc2c(cc1C[N@@H+]1CCc3sc(Cl)cc3C1)OCO2 ZINC000842616994 630553946 /nfs/dbraw/zinc/55/39/46/630553946.db2.gz DZMOHVYHENTKEQ-UHFFFAOYSA-N 1 2 323.801 3.394 20 10 DGCDLO Oc1cc2c(cc1C[N@H+]1CCc3sc(Cl)cc3C1)OCO2 ZINC000842616994 630553949 /nfs/dbraw/zinc/55/39/49/630553949.db2.gz DZMOHVYHENTKEQ-UHFFFAOYSA-N 1 2 323.801 3.394 20 10 DGCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@](C)(O)c1ccccc1 ZINC000846039443 631207600 /nfs/dbraw/zinc/20/76/00/631207600.db2.gz SUFCXKTYRVIKFJ-PXAZEXFGSA-N 1 2 305.805 3.431 20 10 DGCDLO CC[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1cc(Cl)ccc1O ZINC000848560878 631692757 /nfs/dbraw/zinc/69/27/57/631692757.db2.gz MNHIRIKKVCZWJG-GFCCVEGCSA-N 1 2 323.828 3.028 20 10 DGCDLO CC[C@@H]([NH2+]CC[C@@H](COC)OC)c1cccc(Cl)c1O ZINC000850487259 632167916 /nfs/dbraw/zinc/16/79/16/632167916.db2.gz YNBNVKRTBHMLTJ-SMDDNHRTSA-N 1 2 301.814 3.138 20 10 DGCDLO Oc1cccc2c1[C@@H](N[C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000850538927 632186785 /nfs/dbraw/zinc/18/67/85/632186785.db2.gz OGWGKIGDIHOKQL-WBVHZDCISA-N 1 2 300.446 3.376 20 10 DGCDLO Oc1cccc2c1[C@@H](N[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000850538927 632186789 /nfs/dbraw/zinc/18/67/89/632186789.db2.gz OGWGKIGDIHOKQL-WBVHZDCISA-N 1 2 300.446 3.376 20 10 DGCDLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000707691504 660916752 /nfs/dbraw/zinc/91/67/52/660916752.db2.gz QZUWPTHICNYMIQ-CQSZACIVSA-N 1 2 314.223 3.156 20 10 DGCDLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(Br)cc1O ZINC000707691504 660916753 /nfs/dbraw/zinc/91/67/53/660916753.db2.gz QZUWPTHICNYMIQ-CQSZACIVSA-N 1 2 314.223 3.156 20 10 DGCDLO Cn1c[nH+]cc1CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000177254178 655918634 /nfs/dbraw/zinc/91/86/34/655918634.db2.gz XWRWMXKKXXFMNU-UHFFFAOYSA-N 1 2 311.307 3.272 20 10 DGCDLO CC[C@@H](CSC)[NH2+]Cc1cccc(Br)c1O ZINC000162160402 655965439 /nfs/dbraw/zinc/96/54/39/655965439.db2.gz NXGMQAKCDFWVRV-JTQLQIEISA-N 1 2 304.253 3.386 20 10 DGCDLO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715790711 661214450 /nfs/dbraw/zinc/21/44/50/661214450.db2.gz CPEDUIZJLADCJG-CPCISQLKSA-N 1 2 320.227 3.277 20 10 DGCDLO COc1c(C)c[nH+]c(CN(C)Cc2ccc(N(C)C)cc2)c1C ZINC000171233922 659268500 /nfs/dbraw/zinc/26/85/00/659268500.db2.gz NXVUVEQJAIDIHC-UHFFFAOYSA-N 1 2 313.445 3.405 20 10 DGCDLO COc1cc(C)c(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c(O)c1 ZINC001461911897 1182875355 /nfs/dbraw/zinc/87/53/55/1182875355.db2.gz FTOQROIQCSDDKO-UHFFFAOYSA-N 1 2 314.341 3.133 20 10 DGCDLO COc1cc(C)c(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c(O)c1 ZINC001461911897 1182875365 /nfs/dbraw/zinc/87/53/65/1182875365.db2.gz FTOQROIQCSDDKO-UHFFFAOYSA-N 1 2 314.341 3.133 20 10 DGCDLO CCOC(=O)[C@@H](C)[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC001462094194 1182907414 /nfs/dbraw/zinc/90/74/14/1182907414.db2.gz KOVDXAGUCZKNPL-IDTUSYRASA-N 1 2 316.445 3.182 20 10 DGCDLO CCOC(=O)[C@@H](C)[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC001462094194 1182907418 /nfs/dbraw/zinc/90/74/18/1182907418.db2.gz KOVDXAGUCZKNPL-IDTUSYRASA-N 1 2 316.445 3.182 20 10 DGCDLO CC(C)C1C[NH+](Cc2cc(Br)cc(F)c2O)C1 ZINC001462153953 1182915784 /nfs/dbraw/zinc/91/57/84/1182915784.db2.gz FUCPTUNBKXVRQM-UHFFFAOYSA-N 1 2 302.187 3.382 20 10 DGCDLO Cc1cn2cc(NC(=O)N[C@@H](C)c3ccccc3O)ccc2[nH+]1 ZINC001465531882 1183155735 /nfs/dbraw/zinc/15/57/35/1183155735.db2.gz JMKQPCRPIYKXTG-LBPRGKRZSA-N 1 2 310.357 3.231 20 10 DGCDLO CC(C)C[C@H](CCO)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001474021055 1183851989 /nfs/dbraw/zinc/85/19/89/1183851989.db2.gz JMVXURDWJLWAPW-NSHDSACASA-N 1 2 303.805 3.319 20 10 DGCDLO Fc1cc(F)c(F)c(C[NH2+]Cc2ccc3c(c2)CCO3)c1F ZINC001474039830 1183856437 /nfs/dbraw/zinc/85/64/37/1183856437.db2.gz YQSGTYPIQGPTQY-UHFFFAOYSA-N 1 2 311.278 3.468 20 10 DGCDLO OC[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(F)cc1F ZINC001474639924 1183954826 /nfs/dbraw/zinc/95/48/26/1183954826.db2.gz SRQFSMHXWOUVQZ-AWEZNQCLSA-N 1 2 313.731 3.147 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH2+]Cc1noc2ccc(F)cc12 ZINC001474672327 1183959763 /nfs/dbraw/zinc/95/97/63/1183959763.db2.gz CHIXZHKKLVLFTG-UHFFFAOYSA-N 1 2 308.259 3.241 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC001560437333 1189328697 /nfs/dbraw/zinc/32/86/97/1189328697.db2.gz LXXJCMVDSYCQHW-GFCCVEGCSA-N 1 2 313.250 3.172 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cc1Cl ZINC001621114263 1193804742 /nfs/dbraw/zinc/80/47/42/1193804742.db2.gz FJZVLXPBTRGMHQ-UHFFFAOYSA-N 1 2 324.852 3.185 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cc1Cl ZINC001621114263 1193804746 /nfs/dbraw/zinc/80/47/46/1193804746.db2.gz FJZVLXPBTRGMHQ-UHFFFAOYSA-N 1 2 324.852 3.185 20 10 DGCDLO CC[N@H+](CCCNC(=O)OC(C)(C)C)c1ccc(OC)cc1 ZINC001653660941 1195742103 /nfs/dbraw/zinc/74/21/03/1195742103.db2.gz ARMKFZVWYWRXOH-UHFFFAOYSA-N 1 2 308.422 3.436 20 10 DGCDLO CC[N@@H+](CCCNC(=O)OC(C)(C)C)c1ccc(OC)cc1 ZINC001653660941 1195742105 /nfs/dbraw/zinc/74/21/05/1195742105.db2.gz ARMKFZVWYWRXOH-UHFFFAOYSA-N 1 2 308.422 3.436 20 10 DGCDLO COc1ccc([N@H+](CCc2ccc(C(N)=O)cc2)CC2CC2)cc1 ZINC001654494674 1195809240 /nfs/dbraw/zinc/80/92/40/1195809240.db2.gz BFQXHNQSQQQGLW-UHFFFAOYSA-N 1 2 324.424 3.253 20 10 DGCDLO COc1ccc([N@@H+](CCc2ccc(C(N)=O)cc2)CC2CC2)cc1 ZINC001654494674 1195809243 /nfs/dbraw/zinc/80/92/43/1195809243.db2.gz BFQXHNQSQQQGLW-UHFFFAOYSA-N 1 2 324.424 3.253 20 10 DGCDLO CN(CC[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC001656017202 1195988435 /nfs/dbraw/zinc/98/84/35/1195988435.db2.gz XVIFISBMDNKTEA-UHFFFAOYSA-N 1 2 308.784 3.411 20 10 DGCDLO CCCCN1CCCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC001656395229 1196035659 /nfs/dbraw/zinc/03/56/59/1196035659.db2.gz LBVRXFPYIBWRRF-HNNXBMFYSA-N 1 2 312.404 3.415 20 10 DGCDLO CCCCN1CCCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC001656395230 1196035684 /nfs/dbraw/zinc/03/56/84/1196035684.db2.gz LBVRXFPYIBWRRF-OAHLLOKOSA-N 1 2 312.404 3.415 20 10 DGCDLO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC001658786719 1196300743 /nfs/dbraw/zinc/30/07/43/1196300743.db2.gz YMQYCPXKSIIMCK-UHFFFAOYSA-N 1 2 316.307 3.214 20 10 DGCDLO CCOC(=O)[C@H]1CCCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001659002636 1196330607 /nfs/dbraw/zinc/33/06/07/1196330607.db2.gz LJKNWVFGLNYTMX-LKGOPFMKSA-N 1 2 316.445 3.183 20 10 DGCDLO CCOC(=O)[C@H]1CCCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001659002636 1196330611 /nfs/dbraw/zinc/33/06/11/1196330611.db2.gz LJKNWVFGLNYTMX-LKGOPFMKSA-N 1 2 316.445 3.183 20 10 DGCDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001659002637 1196331130 /nfs/dbraw/zinc/33/11/30/1196331130.db2.gz LJKNWVFGLNYTMX-ZEVQVBBLSA-N 1 2 316.445 3.183 20 10 DGCDLO CCOC(=O)[C@@H]1CCCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001659002637 1196331134 /nfs/dbraw/zinc/33/11/34/1196331134.db2.gz LJKNWVFGLNYTMX-ZEVQVBBLSA-N 1 2 316.445 3.183 20 10 DGCDLO CCOCc1nc([C@H](C)[NH2+]Cc2cc(C(C)C)ccc2O)no1 ZINC001659342141 1196373683 /nfs/dbraw/zinc/37/36/83/1196373683.db2.gz BDMMKIUZSOMVLA-LBPRGKRZSA-N 1 2 319.405 3.286 20 10 DGCDLO COc1ccc2c(c1)CCCC[N@H+]2C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001659360022 1196374548 /nfs/dbraw/zinc/37/45/48/1196374548.db2.gz NIKHLKUDMHGSCL-MAUKXSAKSA-N 1 2 311.429 3.375 20 10 DGCDLO COc1ccc2c(c1)CCCC[N@@H+]2C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001659360022 1196374550 /nfs/dbraw/zinc/37/45/50/1196374550.db2.gz NIKHLKUDMHGSCL-MAUKXSAKSA-N 1 2 311.429 3.375 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC001660763710 1196520735 /nfs/dbraw/zinc/52/07/35/1196520735.db2.gz GNRAHFKHIKSCKM-UHFFFAOYSA-N 1 2 309.724 3.203 20 10 DGCDLO CCN(CC)CC[N@@H+](Cc1cc(F)c(F)cc1O)CC(C)C ZINC001663870834 1196953046 /nfs/dbraw/zinc/95/30/46/1196953046.db2.gz QSTNJXSIBUKNFO-UHFFFAOYSA-N 1 2 314.420 3.470 20 10 DGCDLO CCN(CC)CC[N@H+](Cc1cc(F)c(F)cc1O)CC(C)C ZINC001663870834 1196953048 /nfs/dbraw/zinc/95/30/48/1196953048.db2.gz QSTNJXSIBUKNFO-UHFFFAOYSA-N 1 2 314.420 3.470 20 10 DGCDLO CN1CC[N@@H+](Cc2ccc(F)c(F)c2O)Cc2ccccc21 ZINC001663903921 1196956433 /nfs/dbraw/zinc/95/64/33/1196956433.db2.gz UPGIUHNZUCDZRL-UHFFFAOYSA-N 1 2 304.340 3.122 20 10 DGCDLO Cc1ncccc1C[N@H+](C)Cc1c(O)cccc1Br ZINC001140103943 1081842492 /nfs/dbraw/zinc/84/24/92/1081842492.db2.gz VDFZPBPBGSNDPK-UHFFFAOYSA-N 1 2 321.218 3.490 20 10 DGCDLO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001648914185 1082336789 /nfs/dbraw/zinc/33/67/89/1082336789.db2.gz PVUGWYILPCLHCI-RYUDHWBXSA-N 1 2 314.832 3.395 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2cccn2C)C1 ZINC001203264789 1083722235 /nfs/dbraw/zinc/72/22/35/1083722235.db2.gz AXRHINWMNQCFGF-UHFFFAOYSA-N 1 2 309.413 3.084 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2cccn2C)C1 ZINC001203264789 1083722245 /nfs/dbraw/zinc/72/22/45/1083722245.db2.gz AXRHINWMNQCFGF-UHFFFAOYSA-N 1 2 309.413 3.084 20 10 DGCDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1Cc1cccc(F)c1O ZINC001183179530 1083889137 /nfs/dbraw/zinc/88/91/37/1083889137.db2.gz FYVYIXIJHXSCBX-KRWDZBQOSA-N 1 2 309.381 3.228 20 10 DGCDLO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1Cc1cccc(F)c1O ZINC001183179530 1083889142 /nfs/dbraw/zinc/88/91/42/1083889142.db2.gz FYVYIXIJHXSCBX-KRWDZBQOSA-N 1 2 309.381 3.228 20 10 DGCDLO CC1(C)CC[C@@H](CO)[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001183512148 1083965181 /nfs/dbraw/zinc/96/51/81/1083965181.db2.gz YXKWDGCAJLRSKA-LBPRGKRZSA-N 1 2 301.789 3.168 20 10 DGCDLO CC1(C)CC[C@@H](CO)[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001183512148 1083965186 /nfs/dbraw/zinc/96/51/86/1083965186.db2.gz YXKWDGCAJLRSKA-LBPRGKRZSA-N 1 2 301.789 3.168 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1ccc(Br)[nH]1)CC2 ZINC001232695089 1087613566 /nfs/dbraw/zinc/61/35/66/1087613566.db2.gz WBYNZJOUJYUZCX-UHFFFAOYSA-N 1 2 307.191 3.041 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1ccc(Br)[nH]1)CC2 ZINC001232695089 1087613569 /nfs/dbraw/zinc/61/35/69/1087613569.db2.gz WBYNZJOUJYUZCX-UHFFFAOYSA-N 1 2 307.191 3.041 20 10 DGCDLO COC(=O)c1ccc2cc[nH+]c(NCc3ccc(O)c(O)c3)c2c1 ZINC001158995542 1088125176 /nfs/dbraw/zinc/12/51/76/1088125176.db2.gz JEYOMLJZSPTQLW-UHFFFAOYSA-N 1 2 324.336 3.045 20 10 DGCDLO CCN(Cc1ccccc1O)c1[nH+]c(C)cc(C)c1C(=O)OC ZINC001154889384 1088814203 /nfs/dbraw/zinc/81/42/03/1088814203.db2.gz YCNNCZLJRCPYJB-UHFFFAOYSA-N 1 2 314.385 3.217 20 10 DGCDLO CCOC(=O)Cc1cc[nH+]c(NCc2c(C)cc(C)cc2O)c1 ZINC001160811248 1088977387 /nfs/dbraw/zinc/97/73/87/1088977387.db2.gz HZNRBUVLDQPTJZ-UHFFFAOYSA-N 1 2 314.385 3.122 20 10 DGCDLO Cc1nc(N2CCCc3cc(O)c(O)cc3C2)cc(C(C)C)[nH+]1 ZINC001155933634 1089302475 /nfs/dbraw/zinc/30/24/75/1089302475.db2.gz ZASJYAWZCSVOLS-UHFFFAOYSA-N 1 2 313.401 3.272 20 10 DGCDLO Cc1cc(N2CCCc3cc(O)c(O)cc3C2)nc(C2CC2)[nH+]1 ZINC001155944958 1089308541 /nfs/dbraw/zinc/30/85/41/1089308541.db2.gz MLGMDQHBNUHTFL-UHFFFAOYSA-N 1 2 311.385 3.026 20 10 DGCDLO CCC(C)(C)OC1C[NH+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC001206691611 1090455451 /nfs/dbraw/zinc/45/54/51/1090455451.db2.gz LUGPGOSWGFOKHW-UHFFFAOYSA-N 1 2 313.825 3.444 20 10 DGCDLO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(Cl)cc(Cl)c1O ZINC001203579701 1090760401 /nfs/dbraw/zinc/76/04/01/1090760401.db2.gz CBBHWVPWDBSEHH-HZMBPMFUSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(Cl)cc(Cl)c1O ZINC001203579701 1090760406 /nfs/dbraw/zinc/76/04/06/1090760406.db2.gz CBBHWVPWDBSEHH-HZMBPMFUSA-N 1 2 315.244 3.225 20 10 DGCDLO CCOc1cccc(C[NH+]2CC(Oc3ccccc3F)C2)c1O ZINC001203614134 1090767225 /nfs/dbraw/zinc/76/72/25/1090767225.db2.gz QHCGRZSXJQZXIW-UHFFFAOYSA-N 1 2 317.360 3.193 20 10 DGCDLO Oc1ccc(Br)cc1C[N@@H+]1CCc2ncccc2C1 ZINC001203643237 1090771939 /nfs/dbraw/zinc/77/19/39/1090771939.db2.gz VUKVKGSCOXLUSE-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1ccc(Br)cc1C[N@H+]1CCc2ncccc2C1 ZINC001203643237 1090771941 /nfs/dbraw/zinc/77/19/41/1090771941.db2.gz VUKVKGSCOXLUSE-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO CC1(C)CCN(CC[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001204002021 1090864588 /nfs/dbraw/zinc/86/45/88/1090864588.db2.gz IGKGMBWJIKBTIE-UHFFFAOYSA-N 1 2 300.805 3.006 20 10 DGCDLO c1cncc(OC2C[NH+](Cc3ccc(N4CCCCC4)cc3)C2)c1 ZINC001138219511 1091118007 /nfs/dbraw/zinc/11/80/07/1091118007.db2.gz FIAKLLPLIUACHX-UHFFFAOYSA-N 1 2 323.440 3.335 20 10 DGCDLO Cc1cc(C)c(NC(=O)NCc2c(O)cccc2F)c(C)[nH+]1 ZINC001205908046 1091404040 /nfs/dbraw/zinc/40/40/40/1091404040.db2.gz QAWCYNVSBKYFIC-UHFFFAOYSA-N 1 2 303.337 3.173 20 10 DGCDLO Cc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cnc1Cl ZINC001139547652 1091596657 /nfs/dbraw/zinc/59/66/57/1091596657.db2.gz MHPVGCAHMGRQMA-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO Cc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cnc1Cl ZINC001139547652 1091596663 /nfs/dbraw/zinc/59/66/63/1091596663.db2.gz MHPVGCAHMGRQMA-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140055333 1091751267 /nfs/dbraw/zinc/75/12/67/1091751267.db2.gz RNFVTLAGURCUGW-HNNXBMFYSA-N 1 2 314.404 3.410 20 10 DGCDLO CC(C)[C@H]1COCC[N@H+]1Cc1c(O)cccc1Br ZINC001140101453 1091768659 /nfs/dbraw/zinc/76/86/59/1091768659.db2.gz SQVDCZYNTMUSLA-CYBMUJFWSA-N 1 2 314.223 3.012 20 10 DGCDLO C[N@@H+]1CCN(Cc2cc(F)ccc2O)C[C@H]1c1ccccc1 ZINC001140055834 1091752068 /nfs/dbraw/zinc/75/20/68/1091752068.db2.gz XFTZCCTZGDPLOQ-KRWDZBQOSA-N 1 2 300.377 3.020 20 10 DGCDLO C[N@H+]1CCN(Cc2cc(F)ccc2O)C[C@H]1c1ccccc1 ZINC001140055834 1091752075 /nfs/dbraw/zinc/75/20/75/1091752075.db2.gz XFTZCCTZGDPLOQ-KRWDZBQOSA-N 1 2 300.377 3.020 20 10 DGCDLO Cc1ccc(CN2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC001140055482 1091752948 /nfs/dbraw/zinc/75/29/48/1091752948.db2.gz GPQMWHSYDVFXHB-UHFFFAOYSA-N 1 2 314.404 3.158 20 10 DGCDLO CC(C)[C@H]1COCC[N@@H+]1Cc1c(O)cccc1Br ZINC001140101453 1091768653 /nfs/dbraw/zinc/76/86/53/1091768653.db2.gz SQVDCZYNTMUSLA-CYBMUJFWSA-N 1 2 314.223 3.012 20 10 DGCDLO C[N@@H+]1CCN(Cc2c(O)cc(F)cc2F)[C@@H](c2ccccc2)C1 ZINC001140580359 1091918372 /nfs/dbraw/zinc/91/83/72/1091918372.db2.gz YYVFJHPRHRZVFX-QGZVFWFLSA-N 1 2 318.367 3.159 20 10 DGCDLO C[N@H+]1CCN(Cc2c(O)cc(F)cc2F)[C@@H](c2ccccc2)C1 ZINC001140580359 1091918379 /nfs/dbraw/zinc/91/83/79/1091918379.db2.gz YYVFJHPRHRZVFX-QGZVFWFLSA-N 1 2 318.367 3.159 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001140582987 1091919586 /nfs/dbraw/zinc/91/95/86/1091919586.db2.gz RYMQYRSCVVCWNN-GMSGAONNSA-N 1 2 313.241 3.250 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001140582987 1091919590 /nfs/dbraw/zinc/91/95/90/1091919590.db2.gz RYMQYRSCVVCWNN-GMSGAONNSA-N 1 2 313.241 3.250 20 10 DGCDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1c(O)cc(F)cc1F ZINC001140583170 1091919665 /nfs/dbraw/zinc/91/96/65/1091919665.db2.gz XUZAVEVZVHTAGL-UHFFFAOYSA-N 1 2 321.323 3.074 20 10 DGCDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1c(O)cc(F)cc1F ZINC001140583170 1091919672 /nfs/dbraw/zinc/91/96/72/1091919672.db2.gz XUZAVEVZVHTAGL-UHFFFAOYSA-N 1 2 321.323 3.074 20 10 DGCDLO Cc1ccc(O)c(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c1 ZINC001140624511 1091936701 /nfs/dbraw/zinc/93/67/01/1091936701.db2.gz ZFICVCHZSUBJSA-KRWDZBQOSA-N 1 2 324.415 3.396 20 10 DGCDLO Cc1[nH+]cc(Nc2ccccc2C(=O)c2ccncc2)cc1N ZINC001210292845 1093111685 /nfs/dbraw/zinc/11/16/85/1093111685.db2.gz AHNHTAVKNBCPBL-UHFFFAOYSA-N 1 2 304.353 3.342 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(F)(F)CC2)c1O ZINC000404757732 1094267506 /nfs/dbraw/zinc/26/75/06/1094267506.db2.gz CIYNBIMCLPBCHR-UHFFFAOYSA-N 1 2 303.736 3.479 20 10 DGCDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001337042816 1094828619 /nfs/dbraw/zinc/82/86/19/1094828619.db2.gz SMUULXJABLAQNB-HNNXBMFYSA-N 1 2 304.434 3.059 20 10 DGCDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001337042816 1094828633 /nfs/dbraw/zinc/82/86/33/1094828633.db2.gz SMUULXJABLAQNB-HNNXBMFYSA-N 1 2 304.434 3.059 20 10 DGCDLO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001337262578 1094912360 /nfs/dbraw/zinc/91/23/60/1094912360.db2.gz LUGXKINFXLSXFM-VIFPVBQESA-N 1 2 317.788 3.395 20 10 DGCDLO CC(C)n1c[nH+]c2cc(N(CCO)c3ccc(N)cc3)ccc21 ZINC001174381229 1097703947 /nfs/dbraw/zinc/70/39/47/1097703947.db2.gz KBPMZOCUQPTDKO-UHFFFAOYSA-N 1 2 310.401 3.330 20 10 DGCDLO Cc1cccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1O ZINC001231593413 1097787108 /nfs/dbraw/zinc/78/71/08/1097787108.db2.gz WOIJLBQHOGAOCE-OALUTQOASA-N 1 2 308.425 3.159 20 10 DGCDLO Cc1cccc(CN2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)c1O ZINC001231593413 1097787112 /nfs/dbraw/zinc/78/71/12/1097787112.db2.gz WOIJLBQHOGAOCE-OALUTQOASA-N 1 2 308.425 3.159 20 10 DGCDLO Cc1cccc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)c1O ZINC001231594580 1097788599 /nfs/dbraw/zinc/78/85/99/1097788599.db2.gz IKEGQABMYBROLG-INIZCTEOSA-N 1 2 324.415 3.396 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)cc1Cl ZINC001231870678 1097872228 /nfs/dbraw/zinc/87/22/28/1097872228.db2.gz NWAYPVVMUILOJR-QGZVFWFLSA-N 1 2 318.804 3.323 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccccn3)C2)cc1Cl ZINC001231870678 1097872233 /nfs/dbraw/zinc/87/22/33/1097872233.db2.gz NWAYPVVMUILOJR-QGZVFWFLSA-N 1 2 318.804 3.323 20 10 DGCDLO CCC[N@H+](CCOC)Cc1c(O)cc(Br)cc1F ZINC001233026756 1098206677 /nfs/dbraw/zinc/20/66/77/1098206677.db2.gz DRADLLYAWVCGCA-UHFFFAOYSA-N 1 2 320.202 3.152 20 10 DGCDLO CCC[N@@H+](CCOC)Cc1c(O)cc(Br)cc1F ZINC001233026756 1098206684 /nfs/dbraw/zinc/20/66/84/1098206684.db2.gz DRADLLYAWVCGCA-UHFFFAOYSA-N 1 2 320.202 3.152 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)ccc(F)c1F ZINC001233077317 1098219662 /nfs/dbraw/zinc/21/96/62/1098219662.db2.gz INRSZIVZXORKIY-CQSZACIVSA-N 1 2 305.324 3.324 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)ccc(F)c1F ZINC001233077317 1098219665 /nfs/dbraw/zinc/21/96/65/1098219665.db2.gz INRSZIVZXORKIY-CQSZACIVSA-N 1 2 305.324 3.324 20 10 DGCDLO CC(C)(C)c1ccc(O)c(C[N@H+]2CCN(C(C)(C)C)C(=O)C2)c1 ZINC001233286342 1098276940 /nfs/dbraw/zinc/27/69/40/1098276940.db2.gz PKKVMIZNCYTMHE-UHFFFAOYSA-N 1 2 318.461 3.132 20 10 DGCDLO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCN(C(C)(C)C)C(=O)C2)c1 ZINC001233286342 1098276944 /nfs/dbraw/zinc/27/69/44/1098276944.db2.gz PKKVMIZNCYTMHE-UHFFFAOYSA-N 1 2 318.461 3.132 20 10 DGCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(c2ccccc2F)CC1 ZINC001233334854 1098293010 /nfs/dbraw/zinc/29/30/10/1098293010.db2.gz WXKWTVDOLANSOK-UHFFFAOYSA-N 1 2 322.330 3.132 20 10 DGCDLO Oc1c(C[N@@H+]2CCc3cccnc3C2)cccc1C(F)(F)F ZINC001233418915 1098324492 /nfs/dbraw/zinc/32/44/92/1098324492.db2.gz BMJHVNWNSITRKG-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO Oc1c(C[N@H+]2CCc3cccnc3C2)cccc1C(F)(F)F ZINC001233418915 1098324499 /nfs/dbraw/zinc/32/44/99/1098324499.db2.gz BMJHVNWNSITRKG-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO C[N@H+](Cc1nccs1)Cc1cccc(C(F)(F)F)c1O ZINC001233418287 1098325987 /nfs/dbraw/zinc/32/59/87/1098325987.db2.gz AIWUQEAAROLRSV-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO C[N@@H+](Cc1nccs1)Cc1cccc(C(F)(F)F)c1O ZINC001233418287 1098325994 /nfs/dbraw/zinc/32/59/94/1098325994.db2.gz AIWUQEAAROLRSV-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ncc(Cl)cn1 ZINC001235424339 1099017391 /nfs/dbraw/zinc/01/73/91/1099017391.db2.gz RJEJIWLBCJLRMV-UHFFFAOYSA-N 1 2 304.825 3.218 20 10 DGCDLO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ncc(Cl)cn1 ZINC001235424339 1099017402 /nfs/dbraw/zinc/01/74/02/1099017402.db2.gz RJEJIWLBCJLRMV-UHFFFAOYSA-N 1 2 304.825 3.218 20 10 DGCDLO Nc1cccc2c1CC[N@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001236365105 1099553286 /nfs/dbraw/zinc/55/32/86/1099553286.db2.gz CVPQSPGZGKTYJD-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO Nc1cccc2c1CC[N@@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001236365105 1099553298 /nfs/dbraw/zinc/55/32/98/1099553298.db2.gz CVPQSPGZGKTYJD-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)c(O)c1Cl ZINC001236801480 1099796694 /nfs/dbraw/zinc/79/66/94/1099796694.db2.gz JWWGZZSIMGCLKZ-BDJLRTHQSA-N 1 2 313.825 3.037 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@@H](C)[C@](C)(O)CC2)c(O)c1Cl ZINC001236801480 1099796705 /nfs/dbraw/zinc/79/67/05/1099796705.db2.gz JWWGZZSIMGCLKZ-BDJLRTHQSA-N 1 2 313.825 3.037 20 10 DGCDLO COc1cc(C)c(C[N@@H+]2CCCC[C@H]2c2noc(C)n2)c(O)c1 ZINC001236814084 1099803216 /nfs/dbraw/zinc/80/32/16/1099803216.db2.gz OXJUFBJYPDAZDD-HNNXBMFYSA-N 1 2 317.389 3.128 20 10 DGCDLO COc1cc(C)c(C[N@H+]2CCCC[C@H]2c2noc(C)n2)c(O)c1 ZINC001236814084 1099803223 /nfs/dbraw/zinc/80/32/23/1099803223.db2.gz OXJUFBJYPDAZDD-HNNXBMFYSA-N 1 2 317.389 3.128 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C[C@H]1F ZINC001237119388 1099979544 /nfs/dbraw/zinc/97/95/44/1099979544.db2.gz HEARMOCXEJOGLT-MWLCHTKSSA-N 1 2 307.287 3.471 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)C[C@H]1F ZINC001237119388 1099979555 /nfs/dbraw/zinc/97/95/55/1099979555.db2.gz HEARMOCXEJOGLT-MWLCHTKSSA-N 1 2 307.287 3.471 20 10 DGCDLO C[N@H+](Cc1nccs1)Cc1cc(C(F)(F)F)ccc1O ZINC001237138941 1099989426 /nfs/dbraw/zinc/98/94/26/1099989426.db2.gz AHISKJFWKAWATG-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO C[N@@H+](Cc1nccs1)Cc1cc(C(F)(F)F)ccc1O ZINC001237138941 1099989436 /nfs/dbraw/zinc/98/94/36/1099989436.db2.gz AHISKJFWKAWATG-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO OCC[N@H+](Cc1cccs1)Cc1cc(Cl)cc(F)c1O ZINC001237621379 1100192174 /nfs/dbraw/zinc/19/21/74/1100192174.db2.gz ZESUXHLQBSQDBM-UHFFFAOYSA-N 1 2 315.797 3.241 20 10 DGCDLO OCC[N@@H+](Cc1cccs1)Cc1cc(Cl)cc(F)c1O ZINC001237621379 1100192180 /nfs/dbraw/zinc/19/21/80/1100192180.db2.gz ZESUXHLQBSQDBM-UHFFFAOYSA-N 1 2 315.797 3.241 20 10 DGCDLO Cc1cc(C)c(CNC(=O)c2ccccc2-n2cc[nH+]c2)c(O)c1 ZINC001190114196 1100209167 /nfs/dbraw/zinc/20/91/67/1100209167.db2.gz PRKLBOTYRRDEBR-UHFFFAOYSA-N 1 2 321.380 3.125 20 10 DGCDLO C[N@H+](Cc1cccc(I)c1O)C(C)(C)C ZINC001237780728 1100246472 /nfs/dbraw/zinc/24/64/72/1100246472.db2.gz WLHPLBJMRPRJFW-UHFFFAOYSA-N 1 2 319.186 3.227 20 10 DGCDLO C[N@@H+](Cc1cccc(I)c1O)C(C)(C)C ZINC001237780728 1100246477 /nfs/dbraw/zinc/24/64/77/1100246477.db2.gz WLHPLBJMRPRJFW-UHFFFAOYSA-N 1 2 319.186 3.227 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001237800833 1100251178 /nfs/dbraw/zinc/25/11/78/1100251178.db2.gz BYAGSSVTCIMFAE-AWEZNQCLSA-N 1 2 322.767 3.233 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001237800833 1100251184 /nfs/dbraw/zinc/25/11/84/1100251184.db2.gz BYAGSSVTCIMFAE-AWEZNQCLSA-N 1 2 322.767 3.233 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[NH+]1CCC2(C[C@H](F)CO2)CC1 ZINC001237806392 1100253331 /nfs/dbraw/zinc/25/33/31/1100253331.db2.gz VEMORZXLCBYYHC-LBPRGKRZSA-N 1 2 317.763 3.278 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2O)CCC[C@]1(C)O ZINC001237807940 1100253951 /nfs/dbraw/zinc/25/39/51/1100253951.db2.gz OSJPKVFGJRFJKN-BONVTDFDSA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2O)CCC[C@]1(C)O ZINC001237807940 1100253961 /nfs/dbraw/zinc/25/39/61/1100253961.db2.gz OSJPKVFGJRFJKN-BONVTDFDSA-N 1 2 301.789 3.168 20 10 DGCDLO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cncs2)n1C ZINC001241496190 1101512066 /nfs/dbraw/zinc/51/20/66/1101512066.db2.gz RLHAWRVJUKJQHS-UHFFFAOYSA-N 1 2 301.371 3.182 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCO[C@](C)(C(F)F)C2)cc1Cl ZINC001330434200 1104551401 /nfs/dbraw/zinc/55/14/01/1104551401.db2.gz HQHSZXYXKGBBRI-AWEZNQCLSA-N 1 2 305.752 3.210 20 10 DGCDLO C[C@H](c1nnc(-c2ccc(-n3cccc3)cc2)o1)n1cc[nH+]c1 ZINC001256957184 1106515415 /nfs/dbraw/zinc/51/54/15/1106515415.db2.gz KWTRRTKDVOOHRY-CYBMUJFWSA-N 1 2 305.341 3.333 20 10 DGCDLO CCCCCC[C@H](C)[NH2+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC ZINC001257359982 1106573583 /nfs/dbraw/zinc/57/35/83/1106573583.db2.gz GONPSEWJCBRBFV-ZFWWWQNUSA-N 1 2 323.433 3.130 20 10 DGCDLO COc1ccccc1C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000103171928 432004864 /nfs/dbraw/zinc/00/48/64/432004864.db2.gz XWXUGMDLDWCUIU-UHFFFAOYSA-N 1 2 316.357 3.334 20 10 DGCDLO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(Cl)c(Cl)c1O ZINC000185194512 299288537 /nfs/dbraw/zinc/28/85/37/299288537.db2.gz MDGWJCMMZZYTDQ-VIFPVBQESA-N 1 2 319.232 3.218 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)c2ccccn2)c1O ZINC000091701814 193093453 /nfs/dbraw/zinc/09/34/53/193093453.db2.gz WLALYMNPRNDYIK-LLVKDONJSA-N 1 2 302.349 3.322 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)c2ccccn2)c1O ZINC000091701814 193093454 /nfs/dbraw/zinc/09/34/54/193093454.db2.gz WLALYMNPRNDYIK-LLVKDONJSA-N 1 2 302.349 3.322 20 10 DGCDLO C[N@H+](Cc1nccs1)Cc1cc(Br)ccc1O ZINC000093582018 193269356 /nfs/dbraw/zinc/26/93/56/193269356.db2.gz PIHFRCXOSCIEJX-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO C[N@@H+](Cc1nccs1)Cc1cc(Br)ccc1O ZINC000093582018 193269358 /nfs/dbraw/zinc/26/93/58/193269358.db2.gz PIHFRCXOSCIEJX-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccc(Cl)c(Cl)c1O ZINC000275694691 296152289 /nfs/dbraw/zinc/15/22/89/296152289.db2.gz JTIBDUZDLZTGGK-SFYZADRCSA-N 1 2 315.204 3.239 20 10 DGCDLO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(F)c(F)c1O ZINC000276863100 296159209 /nfs/dbraw/zinc/15/92/09/296159209.db2.gz CUSZUTFHNAUYTG-IAQYHMDHSA-N 1 2 307.340 3.445 20 10 DGCDLO Cc1cc(C(=O)N(C)Cc2[nH+]ccn2C)c(C)n1-c1ccccc1 ZINC000061511904 184172034 /nfs/dbraw/zinc/17/20/34/184172034.db2.gz QGGWWIHDOUZIKF-UHFFFAOYSA-N 1 2 322.412 3.100 20 10 DGCDLO Cc1nc(C2([NH2+]Cc3cc(F)ccc3O)CCCCC2)no1 ZINC000272248714 130012273 /nfs/dbraw/zinc/01/22/73/130012273.db2.gz BSQRUXVQEVANCU-UHFFFAOYSA-N 1 2 305.353 3.172 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000273226116 130098997 /nfs/dbraw/zinc/09/89/97/130098997.db2.gz WEMVXVJUSYPRMX-HNNXBMFYSA-N 1 2 305.805 3.129 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)c1O ZINC000286123938 131220300 /nfs/dbraw/zinc/22/03/00/131220300.db2.gz MGXBVVUDILYEPX-HNNXBMFYSA-N 1 2 319.792 3.308 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)c1O ZINC000286123938 131220302 /nfs/dbraw/zinc/22/03/02/131220302.db2.gz MGXBVVUDILYEPX-HNNXBMFYSA-N 1 2 319.792 3.308 20 10 DGCDLO COCc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000297597005 132024773 /nfs/dbraw/zinc/02/47/73/132024773.db2.gz FOVVCTKQNROSQT-UHFFFAOYSA-N 1 2 315.417 3.052 20 10 DGCDLO COCc1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000297597005 132024775 /nfs/dbraw/zinc/02/47/75/132024775.db2.gz FOVVCTKQNROSQT-UHFFFAOYSA-N 1 2 315.417 3.052 20 10 DGCDLO CC[C@@H]([NH2+]CC(=O)NC(C)C)c1cc(Cl)cc(Cl)c1O ZINC000287700167 286902185 /nfs/dbraw/zinc/90/21/85/286902185.db2.gz NOSBDRWKQSRQGJ-GFCCVEGCSA-N 1 2 319.232 3.264 20 10 DGCDLO CC[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cccc(Cl)c1O ZINC000287547470 286903194 /nfs/dbraw/zinc/90/31/94/286903194.db2.gz FKOBMFFPLPJFNM-CYBMUJFWSA-N 1 2 310.825 3.132 20 10 DGCDLO CC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cccc(Cl)c1O ZINC000287755858 286912957 /nfs/dbraw/zinc/91/29/57/286912957.db2.gz QOMACJDKSGVESW-PWSUYJOCSA-N 1 2 311.731 3.400 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000180484509 228356638 /nfs/dbraw/zinc/35/66/38/228356638.db2.gz DRZKRONRWYLAGO-AWEZNQCLSA-N 1 2 304.777 3.094 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000180484509 228356639 /nfs/dbraw/zinc/35/66/39/228356639.db2.gz DRZKRONRWYLAGO-AWEZNQCLSA-N 1 2 304.777 3.094 20 10 DGCDLO Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000182089929 228366317 /nfs/dbraw/zinc/36/63/17/228366317.db2.gz ZAUYFVSHZDNXQX-ZDUSSCGKSA-N 1 2 319.836 3.234 20 10 DGCDLO Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000182089929 228366322 /nfs/dbraw/zinc/36/63/22/228366322.db2.gz ZAUYFVSHZDNXQX-ZDUSSCGKSA-N 1 2 319.836 3.234 20 10 DGCDLO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000182089929 228366327 /nfs/dbraw/zinc/36/63/27/228366327.db2.gz ZAUYFVSHZDNXQX-ZDUSSCGKSA-N 1 2 319.836 3.234 20 10 DGCDLO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000182089929 228366329 /nfs/dbraw/zinc/36/63/29/228366329.db2.gz ZAUYFVSHZDNXQX-ZDUSSCGKSA-N 1 2 319.836 3.234 20 10 DGCDLO CC[C@H]([NH2+]C[C@H](COC)OC)c1cc(Cl)cc(Cl)c1O ZINC000287885181 288048205 /nfs/dbraw/zinc/04/82/05/288048205.db2.gz YQSCOFXIGFNFNR-MFKMUULPSA-N 1 2 322.232 3.401 20 10 DGCDLO CC[C@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1cccc(Cl)c1O ZINC000287069633 288050731 /nfs/dbraw/zinc/05/07/31/288050731.db2.gz NYXXMBCSKDPXGS-HNNXBMFYSA-N 1 2 320.820 3.294 20 10 DGCDLO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000189410781 279027300 /nfs/dbraw/zinc/02/73/00/279027300.db2.gz LCSPVNVMRFMKGY-IUCAKERBSA-N 1 2 319.232 3.216 20 10 DGCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000116374524 431506959 /nfs/dbraw/zinc/50/69/59/431506959.db2.gz ZVWDWQWDDRQXQT-UHFFFAOYSA-N 1 2 319.386 3.316 20 10 DGCDLO Cc1n[nH]cc1CCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000050182500 431947618 /nfs/dbraw/zinc/94/76/18/431947618.db2.gz WSOAWRRZNQENBC-UHFFFAOYSA-N 1 2 314.216 3.453 20 10 DGCDLO CCCN(Cc1ccccc1O)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000102896934 432000325 /nfs/dbraw/zinc/00/03/25/432000325.db2.gz JPHUPPGHYLQUQQ-UHFFFAOYSA-N 1 2 323.396 3.021 20 10 DGCDLO COCCOCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185136975 432469644 /nfs/dbraw/zinc/46/96/44/432469644.db2.gz UHSYTJPWVITHRV-SECBINFHSA-N 1 2 308.205 3.013 20 10 DGCDLO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187805548 432686861 /nfs/dbraw/zinc/68/68/61/432686861.db2.gz RYFVRBFAIPIMIO-BONVTDFDSA-N 1 2 301.377 3.364 20 10 DGCDLO CC[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc(Cl)c1O ZINC000296241646 432887519 /nfs/dbraw/zinc/88/75/19/432887519.db2.gz CNINCCYERADRSD-LBPRGKRZSA-N 1 2 306.797 3.282 20 10 DGCDLO C[NH+](C)C[C@@H](NCc1cc(F)ccc1O)c1ccc(F)cc1 ZINC000290466236 433059675 /nfs/dbraw/zinc/05/96/75/433059675.db2.gz NFVVICNCAQOMIF-MRXNPFEDSA-N 1 2 306.356 3.063 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000373466361 433154350 /nfs/dbraw/zinc/15/43/50/433154350.db2.gz OERDXGTYLAFFHH-SECBINFHSA-N 1 2 302.201 3.167 20 10 DGCDLO Cc1n[nH]cc1C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000375265374 433404475 /nfs/dbraw/zinc/40/44/75/433404475.db2.gz GYWUHSHGXHCLJH-UHFFFAOYSA-N 1 2 305.809 3.457 20 10 DGCDLO CC(C)c1nnc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)[nH]1 ZINC000293547731 433778006 /nfs/dbraw/zinc/77/80/06/433778006.db2.gz GRLDNLFWEBGFHC-MRVPVSSYSA-N 1 2 312.776 3.277 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)c1O ZINC000362847824 433885426 /nfs/dbraw/zinc/88/54/26/433885426.db2.gz QPIIZVNIXPASTB-MRXNPFEDSA-N 1 2 318.348 3.367 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)c1O ZINC000362847824 433885437 /nfs/dbraw/zinc/88/54/37/433885437.db2.gz QPIIZVNIXPASTB-MRXNPFEDSA-N 1 2 318.348 3.367 20 10 DGCDLO CC(C)c1nnc(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)[nH]1 ZINC000294756452 434131158 /nfs/dbraw/zinc/13/11/58/434131158.db2.gz ISHYKFIAHUMMDU-UHFFFAOYSA-N 1 2 315.204 3.230 20 10 DGCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000378493735 434202979 /nfs/dbraw/zinc/20/29/79/434202979.db2.gz KCDCFJGGFIEWAD-INIZCTEOSA-N 1 2 323.314 3.383 20 10 DGCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000378493735 434202984 /nfs/dbraw/zinc/20/29/84/434202984.db2.gz KCDCFJGGFIEWAD-INIZCTEOSA-N 1 2 323.314 3.383 20 10 DGCDLO CC[C@@H]([NH2+][C@@H](CO)CCOC)c1cc(Cl)cc(Cl)c1O ZINC000286967848 434297643 /nfs/dbraw/zinc/29/76/43/434297643.db2.gz IHYAUCCPKQEJGZ-ZWNOBZJWSA-N 1 2 322.232 3.137 20 10 DGCDLO Cc1c2ccccc2n(C)c1CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000359845091 434444283 /nfs/dbraw/zinc/44/42/83/434444283.db2.gz OLPQKWFJSVNBLZ-UHFFFAOYSA-N 1 2 305.385 3.679 20 10 DGCDLO COc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273428431 295299746 /nfs/dbraw/zinc/29/97/46/295299746.db2.gz VBGWUDKOCFUYMC-NSHDSACASA-N 1 2 302.330 3.160 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000369390930 434592856 /nfs/dbraw/zinc/59/28/56/434592856.db2.gz GSBAISDNPUKGIU-GFCCVEGCSA-N 1 2 322.767 3.233 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000369390930 434592867 /nfs/dbraw/zinc/59/28/67/434592867.db2.gz GSBAISDNPUKGIU-GFCCVEGCSA-N 1 2 322.767 3.233 20 10 DGCDLO CC(C)(CO)[C@H]([NH2+]Cc1cccc(Cl)c1O)c1cccnc1 ZINC000293748059 335113065 /nfs/dbraw/zinc/11/30/65/335113065.db2.gz WNINRRXVOCMLCG-MRXNPFEDSA-N 1 2 320.820 3.290 20 10 DGCDLO COCCCOC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180354387 523384207 /nfs/dbraw/zinc/38/42/07/523384207.db2.gz JVYCMSLOBGULGQ-UHFFFAOYSA-N 1 2 313.825 3.063 20 10 DGCDLO C[C@@](O)(CC[NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000190275840 525763727 /nfs/dbraw/zinc/76/37/27/525763727.db2.gz UTNJTWDIXIZTEK-QGZVFWFLSA-N 1 2 305.805 3.433 20 10 DGCDLO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2O)cc1 ZINC000191213105 525976445 /nfs/dbraw/zinc/97/64/45/525976445.db2.gz GFJLRZHTXGULPW-IAQYHMDHSA-N 1 2 307.340 3.363 20 10 DGCDLO Cc1c[nH+]ccc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000121978275 526238420 /nfs/dbraw/zinc/23/84/20/526238420.db2.gz HGMMCVCDKYZNSU-UHFFFAOYSA-N 1 2 310.401 3.094 20 10 DGCDLO CC[C@H]([NH2+]CCSCCCO)c1cccc(Cl)c1O ZINC000287834291 535904747 /nfs/dbraw/zinc/90/47/47/535904747.db2.gz VVJXBWACIIYPSL-ZDUSSCGKSA-N 1 2 303.855 3.202 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc[nH+]cc2C)cc1 ZINC000730565875 574531844 /nfs/dbraw/zinc/53/18/44/574531844.db2.gz IGKBXESLYXTMJA-UHFFFAOYSA-N 1 2 305.381 3.472 20 10 DGCDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1=CC(=O)CS1 ZINC000731863785 574560452 /nfs/dbraw/zinc/56/04/52/574560452.db2.gz DZGCLPPOXTYCJL-CYBMUJFWSA-N 1 2 320.414 3.004 20 10 DGCDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H]2c2ncon2)c1 ZINC000750020193 575697973 /nfs/dbraw/zinc/69/79/73/575697973.db2.gz XJHHKSCYRVLREW-ZDUSSCGKSA-N 1 2 317.389 3.115 20 10 DGCDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H]2c2ncon2)c1 ZINC000750020193 575697978 /nfs/dbraw/zinc/69/79/78/575697978.db2.gz XJHHKSCYRVLREW-ZDUSSCGKSA-N 1 2 317.389 3.115 20 10 DGCDLO COc1ccc([N@H+](CCn2ccccc2=O)CC(C)C)cc1 ZINC000726185083 576010990 /nfs/dbraw/zinc/01/09/90/576010990.db2.gz HMBAQLIMCTUZNY-UHFFFAOYSA-N 1 2 300.402 3.020 20 10 DGCDLO COc1ccc([N@@H+](CCn2ccccc2=O)CC(C)C)cc1 ZINC000726185083 576010994 /nfs/dbraw/zinc/01/09/94/576010994.db2.gz HMBAQLIMCTUZNY-UHFFFAOYSA-N 1 2 300.402 3.020 20 10 DGCDLO OC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccsc1 ZINC000770668163 620890889 /nfs/dbraw/zinc/89/08/89/620890889.db2.gz KLLNJAWBLGKZHS-LBPRGKRZSA-N 1 2 301.770 3.069 20 10 DGCDLO C[N@@H+]1CCN(Cc2cc3c(cc2O)CCC3)[C@@H](c2ccccc2)C1 ZINC000917462509 620669596 /nfs/dbraw/zinc/66/95/96/620669596.db2.gz HNFINSLSCYDJNK-HXUWFJFHSA-N 1 2 322.452 3.370 20 10 DGCDLO C[N@H+]1CCN(Cc2cc3c(cc2O)CCC3)[C@@H](c2ccccc2)C1 ZINC000917462509 620669597 /nfs/dbraw/zinc/66/95/97/620669597.db2.gz HNFINSLSCYDJNK-HXUWFJFHSA-N 1 2 322.452 3.370 20 10 DGCDLO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000806160476 617619672 /nfs/dbraw/zinc/61/96/72/617619672.db2.gz SASKNTTXHBQXFI-SOUVJXGZSA-N 1 2 313.825 3.280 20 10 DGCDLO CC[N@H+](Cc1cc(Cl)cc(Br)c1O)[C@@H](C)CO ZINC000894862915 618482301 /nfs/dbraw/zinc/48/23/01/618482301.db2.gz NFAJGQKOGVTJLV-QMMMGPOBSA-N 1 2 322.630 3.011 20 10 DGCDLO CC[N@@H+](Cc1cc(Cl)cc(Br)c1O)[C@@H](C)CO ZINC000894862915 618482303 /nfs/dbraw/zinc/48/23/03/618482303.db2.gz NFAJGQKOGVTJLV-QMMMGPOBSA-N 1 2 322.630 3.011 20 10 DGCDLO COC(=O)c1cc(C[N@@H+]2Cc3cccc(O)c3C2)[nH]c1C(C)C ZINC000895450010 618786305 /nfs/dbraw/zinc/78/63/05/618786305.db2.gz RRRKPPPQTCWFIL-UHFFFAOYSA-N 1 2 314.385 3.146 20 10 DGCDLO COC(=O)c1cc(C[N@H+]2Cc3cccc(O)c3C2)[nH]c1C(C)C ZINC000895450010 618786306 /nfs/dbraw/zinc/78/63/06/618786306.db2.gz RRRKPPPQTCWFIL-UHFFFAOYSA-N 1 2 314.385 3.146 20 10 DGCDLO OC[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(Cl)c1O ZINC000896525260 618925315 /nfs/dbraw/zinc/92/53/15/618925315.db2.gz ZTWDNODMZLXZDQ-OAHLLOKOSA-N 1 2 305.805 3.129 20 10 DGCDLO C[C@@](O)(C[NH2+]Cc1cccc(Cl)c1O)c1cccc(F)c1 ZINC000896563694 618928847 /nfs/dbraw/zinc/92/88/47/618928847.db2.gz LDANZODIEBJGDQ-MRXNPFEDSA-N 1 2 309.768 3.182 20 10 DGCDLO CN(C)[C@H](CC[NH2+]Cc1cccc(Cl)c1O)C(F)(F)F ZINC000896877862 618974058 /nfs/dbraw/zinc/97/40/58/618974058.db2.gz FWVDKPGUPQEEMD-LLVKDONJSA-N 1 2 310.747 3.018 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)ccc(F)c1F ZINC000898069662 619212279 /nfs/dbraw/zinc/21/22/79/619212279.db2.gz ZRYDYBIOWFDEJO-JTQLQIEISA-N 1 2 310.369 3.192 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@@H](Cc3nccs3)C2)ccc(F)c1F ZINC000898069662 619212282 /nfs/dbraw/zinc/21/22/82/619212282.db2.gz ZRYDYBIOWFDEJO-JTQLQIEISA-N 1 2 310.369 3.192 20 10 DGCDLO Cc1nn2c(nc(C)c2C[NH2+]Cc2cccc(Cl)c2O)s1 ZINC000898219102 619222685 /nfs/dbraw/zinc/22/26/85/619222685.db2.gz VCBLSUMQMJPBHI-UHFFFAOYSA-N 1 2 322.821 3.056 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000898219573 619222901 /nfs/dbraw/zinc/22/29/01/619222901.db2.gz ZUGWCJWEKWSLPT-KOLCDFICSA-N 1 2 309.715 3.245 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000898219572 619222978 /nfs/dbraw/zinc/22/29/78/619222978.db2.gz ZUGWCJWEKWSLPT-GXSJLCMTSA-N 1 2 309.715 3.245 20 10 DGCDLO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000898481760 619278435 /nfs/dbraw/zinc/27/84/35/619278435.db2.gz VBHWMKWAWKSDIB-SKDRFNHKSA-N 1 2 315.772 3.006 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898511640 619281836 /nfs/dbraw/zinc/28/18/36/619281836.db2.gz CZUGGZJAAHAJSD-OLZOCXBDSA-N 1 2 311.372 3.309 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898511640 619281838 /nfs/dbraw/zinc/28/18/38/619281838.db2.gz CZUGGZJAAHAJSD-OLZOCXBDSA-N 1 2 311.372 3.309 20 10 DGCDLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000857920462 621132466 /nfs/dbraw/zinc/13/24/66/621132466.db2.gz DGXDRBWVYBLHHV-CQSZACIVSA-N 1 2 309.413 3.095 20 10 DGCDLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000857920462 621132468 /nfs/dbraw/zinc/13/24/68/621132468.db2.gz DGXDRBWVYBLHHV-CQSZACIVSA-N 1 2 309.413 3.095 20 10 DGCDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)c2nccn21 ZINC000858171765 621161004 /nfs/dbraw/zinc/16/10/04/621161004.db2.gz CQDCJOPLTZEZDX-IINYFYTJSA-N 1 2 306.360 3.023 20 10 DGCDLO C[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)c2nccn21 ZINC000858172488 621161149 /nfs/dbraw/zinc/16/11/49/621161149.db2.gz WGBROZUXFMPELF-SKDRFNHKSA-N 1 2 322.206 3.147 20 10 DGCDLO CC[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cccc(Cl)c1O ZINC000858602854 621208896 /nfs/dbraw/zinc/20/88/96/621208896.db2.gz KFHLDLCKZWWOCD-HUUCEWRRSA-N 1 2 322.836 3.240 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cccc(Cl)c1O ZINC000858602853 621209134 /nfs/dbraw/zinc/20/91/34/621209134.db2.gz KFHLDLCKZWWOCD-GJZGRUSLSA-N 1 2 322.836 3.240 20 10 DGCDLO Cc1cc(Br)c(O)c(C[NH+]2CC(C(F)F)C2)c1 ZINC000839141503 621340269 /nfs/dbraw/zinc/34/02/69/621340269.db2.gz RAXXMTJNXAAHBF-UHFFFAOYSA-N 1 2 306.150 3.160 20 10 DGCDLO CC[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cccc(Cl)c1O ZINC000806139566 621390672 /nfs/dbraw/zinc/39/06/72/621390672.db2.gz PRPWBNZACDWTJE-IUODEOHRSA-N 1 2 313.825 3.139 20 10 DGCDLO CN(Cc1cc(-n2cc[nH+]c2)cs1)c1ccc2c(c1)OCO2 ZINC000753569217 621449522 /nfs/dbraw/zinc/44/95/22/621449522.db2.gz GMHKVOYNSQLQQA-UHFFFAOYSA-N 1 2 313.382 3.299 20 10 DGCDLO CCN(CC[NH2+]Cc1cccc(Cl)c1O)CCC(F)(F)F ZINC000756127865 621617291 /nfs/dbraw/zinc/61/72/91/621617291.db2.gz JADWMPJXGGGDEU-UHFFFAOYSA-N 1 2 324.774 3.410 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cc(F)cc(F)c1O ZINC000756378873 621633065 /nfs/dbraw/zinc/63/30/65/621633065.db2.gz JFSOPXCLUUXPPL-GWCFXTLKSA-N 1 2 305.324 3.325 20 10 DGCDLO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(F)cc(F)c1O ZINC000756401550 621635612 /nfs/dbraw/zinc/63/56/12/621635612.db2.gz ITAYGSSMCHUELV-LLVKDONJSA-N 1 2 321.371 3.097 20 10 DGCDLO Cc1ccnc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000756482067 621641080 /nfs/dbraw/zinc/64/10/80/621641080.db2.gz NIYXZFDPVOXPCA-UHFFFAOYSA-N 1 2 310.445 3.407 20 10 DGCDLO Cc1ccnc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000756482067 621641081 /nfs/dbraw/zinc/64/10/81/621641081.db2.gz NIYXZFDPVOXPCA-UHFFFAOYSA-N 1 2 310.445 3.407 20 10 DGCDLO C[C@H]([NH2+]CCn1cnc2ccccc21)c1cc(F)cc(F)c1O ZINC000756481943 621641168 /nfs/dbraw/zinc/64/11/68/621641168.db2.gz HBHIVBYAWCPNOH-NSHDSACASA-N 1 2 317.339 3.371 20 10 DGCDLO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cc(F)cc(F)c1O ZINC000756503154 621642868 /nfs/dbraw/zinc/64/28/68/621642868.db2.gz LFZXZRNHJMYVJK-VIFPVBQESA-N 1 2 320.330 3.051 20 10 DGCDLO CCc1nc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)cs1 ZINC000756556965 621648438 /nfs/dbraw/zinc/64/84/38/621648438.db2.gz YPJLKKDNNBHVBJ-SNVBAGLBSA-N 1 2 320.414 3.049 20 10 DGCDLO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756576282 621650708 /nfs/dbraw/zinc/65/07/08/621650708.db2.gz LXPPJZWTGVGGIF-ZBEGNZNMSA-N 1 2 307.340 3.363 20 10 DGCDLO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756624903 621653556 /nfs/dbraw/zinc/65/35/56/621653556.db2.gz HGOFDJFZZMWOQJ-RYUDHWBXSA-N 1 2 301.377 3.366 20 10 DGCDLO C[C@H]([NH2+]Cc1cocn1)c1cc(Br)c(F)cc1O ZINC000756831234 621666991 /nfs/dbraw/zinc/66/69/91/621666991.db2.gz MLEHMDYTTHCSIJ-ZETCQYMHSA-N 1 2 315.142 3.133 20 10 DGCDLO CCc1cccc(C[N@@H+]2CCO[C@](C)(C(F)(F)F)C2)c1O ZINC000864054673 621732578 /nfs/dbraw/zinc/73/25/78/621732578.db2.gz YOPXVNSVHFEFLD-AWEZNQCLSA-N 1 2 303.324 3.108 20 10 DGCDLO CCc1cccc(C[N@H+]2CCO[C@](C)(C(F)(F)F)C2)c1O ZINC000864054673 621732580 /nfs/dbraw/zinc/73/25/80/621732580.db2.gz YOPXVNSVHFEFLD-AWEZNQCLSA-N 1 2 303.324 3.108 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000866218642 622068339 /nfs/dbraw/zinc/06/83/39/622068339.db2.gz UXLIISBHLLJVOS-AEFFLSMTSA-N 1 2 300.377 3.314 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1F ZINC000866247993 622075334 /nfs/dbraw/zinc/07/53/34/622075334.db2.gz IWBCCIRSNACPTB-YJBOKZPZSA-N 1 2 318.367 3.453 20 10 DGCDLO C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)CC1(C)OCCO1 ZINC000866425262 622115928 /nfs/dbraw/zinc/11/59/28/622115928.db2.gz KQZQORZATNWFNM-QWRGUYRKSA-N 1 2 315.360 3.110 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]C1CCSCC1 ZINC000122728826 622397094 /nfs/dbraw/zinc/39/70/94/622397094.db2.gz LCEZRQZAKHSQQA-UHFFFAOYSA-N 1 2 302.237 3.140 20 10 DGCDLO CN(C)c1ccc(CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000768209032 622445694 /nfs/dbraw/zinc/44/56/94/622445694.db2.gz XKEGZPYYVIUKAA-UHFFFAOYSA-N 1 2 315.486 3.132 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000768235642 622447032 /nfs/dbraw/zinc/44/70/32/622447032.db2.gz BULGCCHBJGPPKX-LJQANCHMSA-N 1 2 314.404 3.465 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000768235642 622447033 /nfs/dbraw/zinc/44/70/33/622447033.db2.gz BULGCCHBJGPPKX-LJQANCHMSA-N 1 2 314.404 3.465 20 10 DGCDLO CC(C)(C)CC(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000768252726 622447625 /nfs/dbraw/zinc/44/76/25/622447625.db2.gz NMEVOUOJPZWZTM-UHFFFAOYSA-N 1 2 324.852 3.126 20 10 DGCDLO CC[N@@H+](Cc1cccc(Br)c1O)C[C@H]1CCOC1 ZINC000768521445 622461568 /nfs/dbraw/zinc/46/15/68/622461568.db2.gz QRMZTGLFZZRFKC-LLVKDONJSA-N 1 2 314.223 3.013 20 10 DGCDLO CC[N@H+](Cc1cccc(Br)c1O)C[C@H]1CCOC1 ZINC000768521445 622461570 /nfs/dbraw/zinc/46/15/70/622461570.db2.gz QRMZTGLFZZRFKC-LLVKDONJSA-N 1 2 314.223 3.013 20 10 DGCDLO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000769309309 622515939 /nfs/dbraw/zinc/51/59/39/622515939.db2.gz ULRVEARHPWYGOU-GOSISDBHSA-N 1 2 317.360 3.113 20 10 DGCDLO COc1cccc(O)c1C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000769309309 622515940 /nfs/dbraw/zinc/51/59/40/622515940.db2.gz ULRVEARHPWYGOU-GOSISDBHSA-N 1 2 317.360 3.113 20 10 DGCDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000769326824 622518070 /nfs/dbraw/zinc/51/80/70/622518070.db2.gz PHMRGRIYPBNINL-ZDUSSCGKSA-N 1 2 311.809 3.352 20 10 DGCDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000769326824 622518074 /nfs/dbraw/zinc/51/80/74/622518074.db2.gz PHMRGRIYPBNINL-ZDUSSCGKSA-N 1 2 311.809 3.352 20 10 DGCDLO CC[C@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1ccccc1O ZINC000775542337 623286724 /nfs/dbraw/zinc/28/67/24/623286724.db2.gz NSNZAYHQDWQQOS-HNNXBMFYSA-N 1 2 308.385 3.418 20 10 DGCDLO CC[C@H]([NH2+]Cc1nc(-c2ccccc2)n[nH]1)c1ccccc1O ZINC000775542337 623286730 /nfs/dbraw/zinc/28/67/30/623286730.db2.gz NSNZAYHQDWQQOS-HNNXBMFYSA-N 1 2 308.385 3.418 20 10 DGCDLO C[NH+](C)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000125056146 623294464 /nfs/dbraw/zinc/29/44/64/623294464.db2.gz CAZRYTMIMMQMCC-UHFFFAOYSA-N 1 2 311.429 3.201 20 10 DGCDLO Cc1cc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c[nH+]1 ZINC000775698189 623315915 /nfs/dbraw/zinc/31/59/15/623315915.db2.gz UDZFFUGWCWSRHK-AWEZNQCLSA-N 1 2 312.417 3.069 20 10 DGCDLO C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccsc1 ZINC000776208717 623396794 /nfs/dbraw/zinc/39/67/94/623396794.db2.gz KVERLOYYTUKFCC-CQSZACIVSA-N 1 2 315.797 3.244 20 10 DGCDLO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776253328 623401805 /nfs/dbraw/zinc/40/18/05/623401805.db2.gz MFVUBJUKLSMPKG-RNCFNFMXSA-N 1 2 313.756 3.380 20 10 DGCDLO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(F)c(F)c1O ZINC000876773749 623702776 /nfs/dbraw/zinc/70/27/76/623702776.db2.gz XCGMVOSJHFNSIP-UHFFFAOYSA-N 1 2 311.328 3.220 20 10 DGCDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(F)c(F)c1O ZINC000876773749 623702782 /nfs/dbraw/zinc/70/27/82/623702782.db2.gz XCGMVOSJHFNSIP-UHFFFAOYSA-N 1 2 311.328 3.220 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1ccccc1O ZINC000779007963 623720373 /nfs/dbraw/zinc/72/03/73/623720373.db2.gz OQXWENHOKQRKCJ-KRWDZBQOSA-N 1 2 310.441 3.489 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1O ZINC000779007963 623720378 /nfs/dbraw/zinc/72/03/78/623720378.db2.gz OQXWENHOKQRKCJ-KRWDZBQOSA-N 1 2 310.441 3.489 20 10 DGCDLO COC(=O)C[C@](C)([NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000877707483 623999774 /nfs/dbraw/zinc/99/97/74/623999774.db2.gz UNIGOHNEIBHLNI-HNNXBMFYSA-N 1 2 315.772 3.006 20 10 DGCDLO CN1Cc2ccccc2[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000877732450 624007808 /nfs/dbraw/zinc/00/78/08/624007808.db2.gz FTUGFHVQHLDBFB-MRXNPFEDSA-N 1 2 302.805 3.322 20 10 DGCDLO C[C@H]([NH2+]Cc1nc(C2CCC2)no1)c1ccc(N(C)C)cc1 ZINC000878454287 624282241 /nfs/dbraw/zinc/28/22/41/624282241.db2.gz AVOTXGADLPAPHE-LBPRGKRZSA-N 1 2 300.406 3.254 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)c1O ZINC000878877994 624378195 /nfs/dbraw/zinc/37/81/95/624378195.db2.gz NFJLAOOVKARHGI-HNNXBMFYSA-N 1 2 319.792 3.308 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c1O ZINC000878877994 624378200 /nfs/dbraw/zinc/37/82/00/624378200.db2.gz NFJLAOOVKARHGI-HNNXBMFYSA-N 1 2 319.792 3.308 20 10 DGCDLO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000786584861 624926304 /nfs/dbraw/zinc/92/63/04/624926304.db2.gz UXAGJHWVQLOEAK-WFASDCNBSA-N 1 2 321.367 3.233 20 10 DGCDLO FC(F)(F)c1cnc(C[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000788509863 625203006 /nfs/dbraw/zinc/20/30/06/625203006.db2.gz SFSWSLUXVUUBAH-UHFFFAOYSA-N 1 2 314.332 3.387 20 10 DGCDLO C[C@@H]([NH2+]CCC[C@H](C)O)c1cc(Br)cc(F)c1O ZINC000788604265 625224875 /nfs/dbraw/zinc/22/48/75/625224875.db2.gz JGIRTHKKNHAORR-DTWKUNHWSA-N 1 2 320.202 3.105 20 10 DGCDLO COC(=O)CCC(C)(C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000792175410 625920309 /nfs/dbraw/zinc/92/03/09/625920309.db2.gz TWSXVZLSWUMQMO-UHFFFAOYSA-N 1 2 303.761 3.006 20 10 DGCDLO COCCc1cc[nH+]c(N[C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000797046609 626107841 /nfs/dbraw/zinc/10/78/41/626107841.db2.gz XSSHSZDGDPIBBF-SNVBAGLBSA-N 1 2 308.328 3.427 20 10 DGCDLO Cc1cc(NCc2ccc(N3CCC(O)CC3)cc2)c[nH+]c1C ZINC000883340923 626653804 /nfs/dbraw/zinc/65/38/04/626653804.db2.gz CUWFKQBEHXOYJI-UHFFFAOYSA-N 1 2 311.429 3.272 20 10 DGCDLO CC[C@H]([NH2+]C[C@H](O)COCC(C)C)c1cccc(Cl)c1O ZINC000806133460 626701239 /nfs/dbraw/zinc/70/12/39/626701239.db2.gz NOLQMTUPXGJXKK-WFASDCNBSA-N 1 2 315.841 3.120 20 10 DGCDLO COc1cc(C[N@@H+]2Cc3ccc(C(C)=O)cc3C2)c(O)cc1C ZINC000840178356 626914788 /nfs/dbraw/zinc/91/47/88/626914788.db2.gz CLJVDRBDATWOBC-UHFFFAOYSA-N 1 2 311.381 3.428 20 10 DGCDLO COc1cc(C[N@H+]2Cc3ccc(C(C)=O)cc3C2)c(O)cc1C ZINC000840178356 626914793 /nfs/dbraw/zinc/91/47/93/626914793.db2.gz CLJVDRBDATWOBC-UHFFFAOYSA-N 1 2 311.381 3.428 20 10 DGCDLO CCCC[N@H+](CCCO)Cc1cccc(Br)c1O ZINC000809752310 626946516 /nfs/dbraw/zinc/94/65/16/626946516.db2.gz PEVKGHOYTRNDNO-UHFFFAOYSA-N 1 2 316.239 3.139 20 10 DGCDLO CCCC[N@@H+](CCCO)Cc1cccc(Br)c1O ZINC000809752310 626946518 /nfs/dbraw/zinc/94/65/18/626946518.db2.gz PEVKGHOYTRNDNO-UHFFFAOYSA-N 1 2 316.239 3.139 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H](O)c1ccccc1 ZINC000809786744 626953340 /nfs/dbraw/zinc/95/33/40/626953340.db2.gz JYBKEOMHBUEHND-MEBBXXQBSA-N 1 2 309.768 3.396 20 10 DGCDLO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000810258097 626994010 /nfs/dbraw/zinc/99/40/10/626994010.db2.gz ZGLHEKYYMDNXRT-HLTSFMKQSA-N 1 2 320.202 3.368 20 10 DGCDLO Cc1cnn([C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)c1 ZINC000811520352 627286900 /nfs/dbraw/zinc/28/69/00/627286900.db2.gz NMPQOGPQWKFPME-ZDUSSCGKSA-N 1 2 309.772 3.137 20 10 DGCDLO Cc1cnn([C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)c1 ZINC000811520352 627286905 /nfs/dbraw/zinc/28/69/05/627286905.db2.gz NMPQOGPQWKFPME-ZDUSSCGKSA-N 1 2 309.772 3.137 20 10 DGCDLO c1csc(SCCCNc2cc(NC3CC3)nc[nH+]2)n1 ZINC000840261729 627408886 /nfs/dbraw/zinc/40/88/86/627408886.db2.gz TWCPCBUXXOOFDP-UHFFFAOYSA-N 1 2 307.448 3.102 20 10 DGCDLO c1csc(SCCCNc2cc(NC3CC3)[nH+]cn2)n1 ZINC000840261729 627408889 /nfs/dbraw/zinc/40/88/89/627408889.db2.gz TWCPCBUXXOOFDP-UHFFFAOYSA-N 1 2 307.448 3.102 20 10 DGCDLO c1ccc(CN2CCc3cc(C[N@@H+]4CCO[C@H]5C[C@H]54)ccc32)cc1 ZINC000814172210 627546780 /nfs/dbraw/zinc/54/67/80/627546780.db2.gz CQDPRYGLZZTRJE-RTWAWAEBSA-N 1 2 320.436 3.222 20 10 DGCDLO c1ccc(CN2CCc3cc(C[N@H+]4CCO[C@H]5C[C@H]54)ccc32)cc1 ZINC000814172210 627546781 /nfs/dbraw/zinc/54/67/81/627546781.db2.gz CQDPRYGLZZTRJE-RTWAWAEBSA-N 1 2 320.436 3.222 20 10 DGCDLO C[C@@H]([NH2+]Cc1cccc(Br)c1O)c1cc[nH]c(=O)c1 ZINC000815148530 627637246 /nfs/dbraw/zinc/63/72/46/627637246.db2.gz YTROBOGTFBAUST-SECBINFHSA-N 1 2 323.190 3.106 20 10 DGCDLO Cc1ccc([C@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)c(O)c1 ZINC000815657949 627695926 /nfs/dbraw/zinc/69/59/26/627695926.db2.gz NKYKRGYTQVSGKO-AWEZNQCLSA-N 1 2 308.385 3.132 20 10 DGCDLO C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CCC[C@@H](C)C1 ZINC000816535586 627803287 /nfs/dbraw/zinc/80/32/87/627803287.db2.gz UERVCOSLMZZDCS-NEPJUHHUSA-N 1 2 314.832 3.395 20 10 DGCDLO Oc1cccc2c1C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C2 ZINC000816591749 627812846 /nfs/dbraw/zinc/81/28/46/627812846.db2.gz MXGSBJWFDAWWPH-NSHDSACASA-N 1 2 307.752 3.147 20 10 DGCDLO COCC1(CC[NH2+]Cc2cc(Cl)cc(F)c2O)CCC1 ZINC000816638422 627818234 /nfs/dbraw/zinc/81/82/34/627818234.db2.gz LQWMXKODXPWAPO-UHFFFAOYSA-N 1 2 301.789 3.481 20 10 DGCDLO C[C@]1(F)CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000824472326 628663294 /nfs/dbraw/zinc/66/32/94/628663294.db2.gz QBZCJKPSHYVITM-ZDUSSCGKSA-N 1 2 302.187 3.479 20 10 DGCDLO C[C@]1(F)CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000824472326 628663295 /nfs/dbraw/zinc/66/32/95/628663295.db2.gz QBZCJKPSHYVITM-ZDUSSCGKSA-N 1 2 302.187 3.479 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCCC1CCOCC1 ZINC000824477683 628664585 /nfs/dbraw/zinc/66/45/85/628664585.db2.gz VPHGNTJXOHTADF-UHFFFAOYSA-N 1 2 301.789 3.481 20 10 DGCDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](F)C2)ccc1N1CCCCC1 ZINC000824572228 628672502 /nfs/dbraw/zinc/67/25/02/628672502.db2.gz VMLYSYWZZUOUIX-CQSZACIVSA-N 1 2 307.369 3.129 20 10 DGCDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](F)C2)ccc1N1CCCCC1 ZINC000824572228 628672503 /nfs/dbraw/zinc/67/25/03/628672503.db2.gz VMLYSYWZZUOUIX-CQSZACIVSA-N 1 2 307.369 3.129 20 10 DGCDLO CC1(C)C[C@@H](O)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000825090882 628726218 /nfs/dbraw/zinc/72/62/18/628726218.db2.gz MATJQWRKARLOBI-LBPRGKRZSA-N 1 2 301.789 3.168 20 10 DGCDLO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000825090882 628726219 /nfs/dbraw/zinc/72/62/19/628726219.db2.gz MATJQWRKARLOBI-LBPRGKRZSA-N 1 2 301.789 3.168 20 10 DGCDLO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000826790245 628886854 /nfs/dbraw/zinc/88/68/54/628886854.db2.gz AFJARYIBWKNTNM-NSHDSACASA-N 1 2 300.805 3.147 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2nnc(C)o2)c(O)c(C(C)(C)C)c1 ZINC000827039193 628915216 /nfs/dbraw/zinc/91/52/16/628915216.db2.gz JWWURRUIPUDTEL-UHFFFAOYSA-N 1 2 319.405 3.022 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2nnc(C)o2)c(O)c(C(C)(C)C)c1 ZINC000827039193 628915218 /nfs/dbraw/zinc/91/52/18/628915218.db2.gz JWWURRUIPUDTEL-UHFFFAOYSA-N 1 2 319.405 3.022 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000827179450 628932878 /nfs/dbraw/zinc/93/28/78/628932878.db2.gz YBDBPZDNHSJUPS-LSDHHAIUSA-N 1 2 307.752 3.453 20 10 DGCDLO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000827733923 628986855 /nfs/dbraw/zinc/98/68/55/628986855.db2.gz RAWDONDLZSAAJH-ZBEGNZNMSA-N 1 2 323.795 3.439 20 10 DGCDLO C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000840868197 630369511 /nfs/dbraw/zinc/36/95/11/630369511.db2.gz VXGGYBUTHJXWNP-LLVKDONJSA-N 1 2 324.350 3.412 20 10 DGCDLO CC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cccc(Cl)c1O ZINC000842886587 630589642 /nfs/dbraw/zinc/58/96/42/630589642.db2.gz SQBMXTRIQKZHOL-KGLIPLIRSA-N 1 2 324.852 3.486 20 10 DGCDLO Oc1c(F)cc(Cl)cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843044487 630607558 /nfs/dbraw/zinc/60/75/58/630607558.db2.gz DGPASMZFXSLUAS-NHYWBVRUSA-N 1 2 312.816 3.149 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843055684 630609427 /nfs/dbraw/zinc/60/94/27/630609427.db2.gz NERPHKVBJCXVPW-LBPRGKRZSA-N 1 2 301.217 3.025 20 10 DGCDLO Oc1ccc(Cl)cc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000845709912 631190831 /nfs/dbraw/zinc/19/08/31/631190831.db2.gz ZMCSEUDRDJBXCY-UHFFFAOYSA-N 1 2 304.781 3.048 20 10 DGCDLO Oc1ccc(Cl)cc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000845709912 631190832 /nfs/dbraw/zinc/19/08/32/631190832.db2.gz ZMCSEUDRDJBXCY-UHFFFAOYSA-N 1 2 304.781 3.048 20 10 DGCDLO OC[C@@]1(C[NH2+]Cc2cccc(Cl)c2O)CCc2ccccc21 ZINC000846010780 631205700 /nfs/dbraw/zinc/20/57/00/631205700.db2.gz IJXAKZVAAXJLAJ-SFHVURJKSA-N 1 2 317.816 3.012 20 10 DGCDLO C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)C(=O)OC(C)(C)C ZINC000848562113 631693751 /nfs/dbraw/zinc/69/37/51/631693751.db2.gz HCOYTYKUXPWYNG-ZJUUUORDSA-N 1 2 315.360 3.299 20 10 DGCDLO CCO[C@@H](C)c1noc(C[N@H+](C)Cc2cccc(CC)c2O)n1 ZINC000848888776 631773135 /nfs/dbraw/zinc/77/31/35/631773135.db2.gz BOHMUEAPGLKLMH-LBPRGKRZSA-N 1 2 319.405 3.067 20 10 DGCDLO CCO[C@@H](C)c1noc(C[N@@H+](C)Cc2cccc(CC)c2O)n1 ZINC000848888776 631773141 /nfs/dbraw/zinc/77/31/41/631773141.db2.gz BOHMUEAPGLKLMH-LBPRGKRZSA-N 1 2 319.405 3.067 20 10 DGCDLO CCO[C@H](C)c1noc(C[N@H+](C)Cc2cccc(CC)c2O)n1 ZINC000848888773 631773240 /nfs/dbraw/zinc/77/32/40/631773240.db2.gz BOHMUEAPGLKLMH-GFCCVEGCSA-N 1 2 319.405 3.067 20 10 DGCDLO CCO[C@H](C)c1noc(C[N@@H+](C)Cc2cccc(CC)c2O)n1 ZINC000848888773 631773245 /nfs/dbraw/zinc/77/32/45/631773245.db2.gz BOHMUEAPGLKLMH-GFCCVEGCSA-N 1 2 319.405 3.067 20 10 DGCDLO CC(C)(C)OC(=O)C[N@H+](Cc1cc(F)ccc1O)C1CCC1 ZINC000848927607 631790761 /nfs/dbraw/zinc/79/07/61/631790761.db2.gz JAVYAZWGVDLCPS-UHFFFAOYSA-N 1 2 309.381 3.228 20 10 DGCDLO CC(C)(C)OC(=O)C[N@@H+](Cc1cc(F)ccc1O)C1CCC1 ZINC000848927607 631790766 /nfs/dbraw/zinc/79/07/66/631790766.db2.gz JAVYAZWGVDLCPS-UHFFFAOYSA-N 1 2 309.381 3.228 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1F ZINC000850351659 632122040 /nfs/dbraw/zinc/12/20/40/632122040.db2.gz GLIBISCRTYDPEO-WFASDCNBSA-N 1 2 317.412 3.059 20 10 DGCDLO CC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000850527843 632181374 /nfs/dbraw/zinc/18/13/74/632181374.db2.gz CCIPYUOIGDMHHN-VXNVDRBHSA-N 1 2 322.630 3.230 20 10 DGCDLO CCN(Cc1ccccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184801024 660187695 /nfs/dbraw/zinc/18/76/95/660187695.db2.gz VBSIZDFXYCEKEV-IBGZPJMESA-N 1 2 310.441 3.489 20 10 DGCDLO CCN(Cc1ccccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184801024 660187696 /nfs/dbraw/zinc/18/76/96/660187696.db2.gz VBSIZDFXYCEKEV-IBGZPJMESA-N 1 2 310.441 3.489 20 10 DGCDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CN1CCSC1=O ZINC000073389038 660270468 /nfs/dbraw/zinc/27/04/68/660270468.db2.gz FJDYODCCMYMFFJ-UHFFFAOYSA-N 1 2 319.474 3.235 20 10 DGCDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CN1CCSC1=O ZINC000073389038 660270469 /nfs/dbraw/zinc/27/04/69/660270469.db2.gz FJDYODCCMYMFFJ-UHFFFAOYSA-N 1 2 319.474 3.235 20 10 DGCDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1c(O)cccc1Br ZINC000707146666 660893661 /nfs/dbraw/zinc/89/36/61/660893661.db2.gz QDPJWOLCPRYMHV-WDEREUQCSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1c(O)cccc1Br ZINC000707146666 660893663 /nfs/dbraw/zinc/89/36/63/660893663.db2.gz QDPJWOLCPRYMHV-WDEREUQCSA-N 1 2 314.223 3.154 20 10 DGCDLO C[C@@H]1[N@H+](Cc2ccc(Br)cc2O)CCOC1(C)C ZINC000708321353 660920291 /nfs/dbraw/zinc/92/02/91/660920291.db2.gz SAEJMIFMEKXSCH-JTQLQIEISA-N 1 2 314.223 3.154 20 10 DGCDLO C[C@@H]1[N@@H+](Cc2ccc(Br)cc2O)CCOC1(C)C ZINC000708321353 660920294 /nfs/dbraw/zinc/92/02/94/660920294.db2.gz SAEJMIFMEKXSCH-JTQLQIEISA-N 1 2 314.223 3.154 20 10 DGCDLO CC(C)[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000709029838 660923488 /nfs/dbraw/zinc/92/34/88/660923488.db2.gz ORYJBMSINZOKEE-AWEZNQCLSA-N 1 2 314.223 3.012 20 10 DGCDLO CC(C)[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000709029838 660923489 /nfs/dbraw/zinc/92/34/89/660923489.db2.gz ORYJBMSINZOKEE-AWEZNQCLSA-N 1 2 314.223 3.012 20 10 DGCDLO CC(C)[C@H]1C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000708999828 660923683 /nfs/dbraw/zinc/92/36/83/660923683.db2.gz HWLHVMYWXBENJM-CQSZACIVSA-N 1 2 314.223 3.012 20 10 DGCDLO CC(C)[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC000708999828 660923687 /nfs/dbraw/zinc/92/36/87/660923687.db2.gz HWLHVMYWXBENJM-CQSZACIVSA-N 1 2 314.223 3.012 20 10 DGCDLO C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000794833471 661108065 /nfs/dbraw/zinc/10/80/65/661108065.db2.gz DZOSDGKQYPQXKG-LMWSTFAQSA-N 1 2 310.388 3.338 20 10 DGCDLO Cc1ccccc1Cc1noc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000079433203 662110328 /nfs/dbraw/zinc/11/03/28/662110328.db2.gz ODRARHDEGXHXCJ-UHFFFAOYSA-N 1 2 323.396 3.306 20 10 DGCDLO Cc1ccccc1Cc1noc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000079433203 662110329 /nfs/dbraw/zinc/11/03/29/662110329.db2.gz ODRARHDEGXHXCJ-UHFFFAOYSA-N 1 2 323.396 3.306 20 10 DGCDLO Cc1cc(Br)cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)c1O ZINC000245855386 662242780 /nfs/dbraw/zinc/24/27/80/662242780.db2.gz NHSBITOGBUUBSP-MNOVXSKESA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)c1O ZINC000245855386 662242783 /nfs/dbraw/zinc/24/27/83/662242783.db2.gz NHSBITOGBUUBSP-MNOVXSKESA-N 1 2 314.223 3.072 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000383976623 685169423 /nfs/dbraw/zinc/16/94/23/685169423.db2.gz JLXWWBNRKVTSQQ-VIFPVBQESA-N 1 2 306.150 3.432 20 10 DGCDLO CC[C@@H]1C[NH+](Cc2cc(F)cc(C(C)=O)c2O)C[C@@H](CC)O1 ZINC000398443521 685237520 /nfs/dbraw/zinc/23/75/20/685237520.db2.gz PVVYLNYPHWBXCQ-HUUCEWRRSA-N 1 2 309.381 3.123 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC001334343244 1178751435 /nfs/dbraw/zinc/75/14/35/1178751435.db2.gz VJSWAMGNBYTLLQ-OAHLLOKOSA-N 1 2 323.339 3.445 20 10 DGCDLO CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)C1CCCCC1 ZINC001461050029 1182761520 /nfs/dbraw/zinc/76/15/20/1182761520.db2.gz JQZLKQIXHOOXHR-MRXNPFEDSA-N 1 2 312.404 3.271 20 10 DGCDLO Oc1c(F)cc(F)cc1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC001461074917 1182763652 /nfs/dbraw/zinc/76/36/52/1182763652.db2.gz CVGQJOJYQGCUNX-UHFFFAOYSA-N 1 2 301.296 3.468 20 10 DGCDLO Cc1ccc(CN2CC[NH+](Cc3cccs3)CC2)c(O)c1 ZINC001462037600 1182900270 /nfs/dbraw/zinc/90/02/70/1182900270.db2.gz ZIULFVLJSDMVKF-UHFFFAOYSA-N 1 2 302.443 3.080 20 10 DGCDLO CCC(CC)[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)N(C)C ZINC001473925955 1183830457 /nfs/dbraw/zinc/83/04/57/1183830457.db2.gz HTOVOXQGKVGPTH-HNNXBMFYSA-N 1 2 300.393 3.126 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccccc1-n1ccnc1 ZINC001560292094 1189306142 /nfs/dbraw/zinc/30/61/42/1189306142.db2.gz XPCVITVEXKOVFR-UHFFFAOYSA-N 1 2 315.323 3.146 20 10 DGCDLO COC(=O)c1cc(C[NH2+]Cc2cccc(Cl)c2O)cs1 ZINC001561044342 1189424984 /nfs/dbraw/zinc/42/49/84/1189424984.db2.gz ZDOZTBURTPEZPF-UHFFFAOYSA-N 1 2 311.790 3.184 20 10 DGCDLO C[C@@H](CC(=O)NCc1c(O)ccc2ccccc21)n1cc[nH+]c1 ZINC001635969844 1194583023 /nfs/dbraw/zinc/58/30/23/1194583023.db2.gz YULFEIHWOPHCAR-ZDUSSCGKSA-N 1 2 309.369 3.009 20 10 DGCDLO CCc1cc(NCc2ccc3cccnc3c2O)nc(CC)[nH+]1 ZINC001642823625 1194943986 /nfs/dbraw/zinc/94/39/86/1194943986.db2.gz MGGOXPNAEYCNQH-UHFFFAOYSA-N 1 2 308.385 3.467 20 10 DGCDLO Cc1ncc(CC[NH2+]Cc2cc(Cl)cc(F)c2O)s1 ZINC001655957053 1195982868 /nfs/dbraw/zinc/98/28/68/1195982868.db2.gz OJZZTIUCWVOMIA-UHFFFAOYSA-N 1 2 300.786 3.282 20 10 DGCDLO CCC(CC)(CCO)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001656645069 1196057168 /nfs/dbraw/zinc/05/71/68/1196057168.db2.gz BVEPOBACWMFNFP-UHFFFAOYSA-N 1 2 303.805 3.463 20 10 DGCDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001657860225 1196186762 /nfs/dbraw/zinc/18/67/62/1196186762.db2.gz NIQLDBJPQURTRI-QMTHXVAHSA-N 1 2 311.809 3.128 20 10 DGCDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001657860225 1196186768 /nfs/dbraw/zinc/18/67/68/1196186768.db2.gz NIQLDBJPQURTRI-QMTHXVAHSA-N 1 2 311.809 3.128 20 10 DGCDLO O=c1[nH]c2cc(C[NH2+]Cc3cc(Cl)cc(F)c3O)ccc2o1 ZINC001658551844 1196273594 /nfs/dbraw/zinc/27/35/94/1196273594.db2.gz QEYYTINVCFWJEK-UHFFFAOYSA-N 1 2 322.723 3.321 20 10 DGCDLO CCC[N@H+](Cc1cc(F)cc(F)c1O)[C@H](CC)C(=O)OCC ZINC001658849501 1196309352 /nfs/dbraw/zinc/30/93/52/1196309352.db2.gz ZAMSPIJRFXLVTP-CQSZACIVSA-N 1 2 315.360 3.224 20 10 DGCDLO CCC[N@@H+](Cc1cc(F)cc(F)c1O)[C@H](CC)C(=O)OCC ZINC001658849501 1196309354 /nfs/dbraw/zinc/30/93/54/1196309354.db2.gz ZAMSPIJRFXLVTP-CQSZACIVSA-N 1 2 315.360 3.224 20 10 DGCDLO Cc1cn2cc(NC(=O)N[C@H](C)c3ccccc3O)ccc2[nH+]1 ZINC001658975122 1196326780 /nfs/dbraw/zinc/32/67/80/1196326780.db2.gz JMKQPCRPIYKXTG-GFCCVEGCSA-N 1 2 310.357 3.231 20 10 DGCDLO C[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)[C@@H]1C(=O)OC(C)(C)C ZINC001660080417 1196442931 /nfs/dbraw/zinc/44/29/31/1196442931.db2.gz GCQCTUKCFXFJKT-DOMZBBRYSA-N 1 2 323.408 3.474 20 10 DGCDLO C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)[C@@H]1C(=O)OC(C)(C)C ZINC001660080417 1196442934 /nfs/dbraw/zinc/44/29/34/1196442934.db2.gz GCQCTUKCFXFJKT-DOMZBBRYSA-N 1 2 323.408 3.474 20 10 DGCDLO OC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1cccc(F)c1 ZINC001661421272 1196604176 /nfs/dbraw/zinc/60/41/76/1196604176.db2.gz YKGJPLKPEJTBRQ-AWEZNQCLSA-N 1 2 313.731 3.147 20 10 DGCDLO CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001662129666 1196684704 /nfs/dbraw/zinc/68/47/04/1196684704.db2.gz XJNQYNKXGYNMIH-AWEZNQCLSA-N 1 2 303.805 3.317 20 10 DGCDLO CCc1cccc(NC(=O)C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC001665049312 1197091886 /nfs/dbraw/zinc/09/18/86/1197091886.db2.gz YDVFHLISQOCNJP-UHFFFAOYSA-N 1 2 318.804 3.336 20 10 DGCDLO CC[C@@H]1COCC[N@@H+]1Cc1cc(Br)c(C)cc1O ZINC001237682354 1090317040 /nfs/dbraw/zinc/31/70/40/1090317040.db2.gz RCZMIYHMDPBGDG-GFCCVEGCSA-N 1 2 314.223 3.074 20 10 DGCDLO CC[C@@H]1COCC[N@H+]1Cc1cc(Br)c(C)cc1O ZINC001237682354 1090317043 /nfs/dbraw/zinc/31/70/43/1090317043.db2.gz RCZMIYHMDPBGDG-GFCCVEGCSA-N 1 2 314.223 3.074 20 10 DGCDLO CCC1(NC(=O)OC(C)(C)C)C[NH+](Cc2cc(F)ccc2O)C1 ZINC001140060282 1081778019 /nfs/dbraw/zinc/77/80/19/1081778019.db2.gz TUBRBVWDMPFSPQ-UHFFFAOYSA-N 1 2 324.396 3.020 20 10 DGCDLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)C[C@H](C)O1 ZINC000694798847 1083136594 /nfs/dbraw/zinc/13/65/94/1083136594.db2.gz BMMPJZFINXTFIA-PEGIJTEDSA-N 1 2 314.223 3.200 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)Cc2ccccc2O1 ZINC001182129658 1083626162 /nfs/dbraw/zinc/62/61/62/1083626162.db2.gz ZBLWVLSOVNIMBD-LLVKDONJSA-N 1 2 305.324 3.454 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)Cc2ccccc2O1 ZINC001182129658 1083626173 /nfs/dbraw/zinc/62/61/73/1083626173.db2.gz ZBLWVLSOVNIMBD-LLVKDONJSA-N 1 2 305.324 3.454 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)cc1Cl ZINC001232267104 1087588645 /nfs/dbraw/zinc/58/86/45/1087588645.db2.gz WJGINZJBLOHJAD-KGLIPLIRSA-N 1 2 305.752 3.326 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)cc1Cl ZINC001232267104 1087588647 /nfs/dbraw/zinc/58/86/47/1087588647.db2.gz WJGINZJBLOHJAD-KGLIPLIRSA-N 1 2 305.752 3.326 20 10 DGCDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(N)cc3)c2c1 ZINC001159303736 1088279455 /nfs/dbraw/zinc/27/94/55/1088279455.db2.gz IYURTCMGQYTQHH-UHFFFAOYSA-N 1 2 307.353 3.159 20 10 DGCDLO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]21 ZINC001203584752 1090761504 /nfs/dbraw/zinc/76/15/04/1090761504.db2.gz FCZIBAAXQAJMAT-YGRLFVJLSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@H+]1CCC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]21 ZINC001203584752 1090761510 /nfs/dbraw/zinc/76/15/10/1090761510.db2.gz FCZIBAAXQAJMAT-YGRLFVJLSA-N 1 2 315.244 3.225 20 10 DGCDLO COc1cccc(C[N@@H+]2CCc3ncc(Cl)cc3C2)c1O ZINC001203600155 1090765233 /nfs/dbraw/zinc/76/52/33/1090765233.db2.gz TUQHBMKMVHKJAZ-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cccc(C[N@H+]2CCc3ncc(Cl)cc3C2)c1O ZINC001203600155 1090765238 /nfs/dbraw/zinc/76/52/38/1090765238.db2.gz TUQHBMKMVHKJAZ-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO C[C@@]1(F)CC[N@H+](Cc2cc(Br)ccc2O)C[C@H]1F ZINC001203636603 1090771242 /nfs/dbraw/zinc/77/12/42/1090771242.db2.gz YFYPSVCFFSSSLG-CHWSQXEVSA-N 1 2 320.177 3.427 20 10 DGCDLO C[C@@]1(F)CC[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1F ZINC001203636603 1090771245 /nfs/dbraw/zinc/77/12/45/1090771245.db2.gz YFYPSVCFFSSSLG-CHWSQXEVSA-N 1 2 320.177 3.427 20 10 DGCDLO CC[N@H+](Cc1cc(O)c(O)c(OC)c1)Cc1cccc(F)c1F ZINC001204348655 1090952905 /nfs/dbraw/zinc/95/29/05/1090952905.db2.gz HBCOBKCEFXTZPF-UHFFFAOYSA-N 1 2 323.339 3.407 20 10 DGCDLO CC[N@@H+](Cc1cc(O)c(O)c(OC)c1)Cc1cccc(F)c1F ZINC001204348655 1090952907 /nfs/dbraw/zinc/95/29/07/1090952907.db2.gz HBCOBKCEFXTZPF-UHFFFAOYSA-N 1 2 323.339 3.407 20 10 DGCDLO CCOC(=O)C[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CCC1 ZINC001205276795 1091160851 /nfs/dbraw/zinc/16/08/51/1091160851.db2.gz MCIFAXJLDDAXFQ-VOTSOKGWSA-N 1 2 316.445 3.183 20 10 DGCDLO CCOC(=O)C[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C1CCC1 ZINC001205276795 1091160862 /nfs/dbraw/zinc/16/08/62/1091160862.db2.gz MCIFAXJLDDAXFQ-VOTSOKGWSA-N 1 2 316.445 3.183 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC001294516304 1091407195 /nfs/dbraw/zinc/40/71/95/1091407195.db2.gz WBSYSZRLAXLPOR-UHFFFAOYSA-N 1 2 322.412 3.364 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001139126722 1091456974 /nfs/dbraw/zinc/45/69/74/1091456974.db2.gz NZDUSJZGJIQHRM-UHFFFAOYSA-N 1 2 321.323 3.038 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC001139129129 1091459222 /nfs/dbraw/zinc/45/92/22/1091459222.db2.gz NTMWDGTZGQYQKB-DGCLKSJQSA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC001139129129 1091459228 /nfs/dbraw/zinc/45/92/28/1091459228.db2.gz NTMWDGTZGQYQKB-DGCLKSJQSA-N 1 2 301.386 3.427 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cncc(Br)c1)CC2 ZINC001206133555 1091505700 /nfs/dbraw/zinc/50/57/00/1091505700.db2.gz VEGLDLIOTBAVFB-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cncc(Br)c1)CC2 ZINC001206133555 1091505707 /nfs/dbraw/zinc/50/57/07/1091505707.db2.gz VEGLDLIOTBAVFB-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO CN(CC[N@H+](C)Cc1ccccc1)Cc1c(F)ccc(F)c1O ZINC001139688017 1091643154 /nfs/dbraw/zinc/64/31/54/1091643154.db2.gz WAIRTORPXXQKDW-UHFFFAOYSA-N 1 2 320.383 3.234 20 10 DGCDLO CN(CC[N@@H+](C)Cc1ccccc1)Cc1c(F)ccc(F)c1O ZINC001139688017 1091643156 /nfs/dbraw/zinc/64/31/56/1091643156.db2.gz WAIRTORPXXQKDW-UHFFFAOYSA-N 1 2 320.383 3.234 20 10 DGCDLO Cc1cccc(O[C@@H]2CC[N@H+](Cc3c(O)cc(F)cc3F)C2)n1 ZINC001140585377 1091921322 /nfs/dbraw/zinc/92/13/22/1091921322.db2.gz HKGDHQXLZSIRCH-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)n1 ZINC001140585377 1091921326 /nfs/dbraw/zinc/92/13/26/1091921326.db2.gz HKGDHQXLZSIRCH-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC001207423589 1091961439 /nfs/dbraw/zinc/96/14/39/1091961439.db2.gz FBYGBTXASREUOP-HAQNSBGRSA-N 1 2 311.809 3.256 20 10 DGCDLO COc1cc(O)c(C[N@H+](C)Cc2cccc(F)c2F)c(OC)c1 ZINC001141030811 1092113655 /nfs/dbraw/zinc/11/36/55/1092113655.db2.gz MEHSSRKECOJQGX-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO COc1cc(O)c(C[N@@H+](C)Cc2cccc(F)c2F)c(OC)c1 ZINC001141030811 1092113658 /nfs/dbraw/zinc/11/36/58/1092113658.db2.gz MEHSSRKECOJQGX-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001142530270 1092495427 /nfs/dbraw/zinc/49/54/27/1092495427.db2.gz BJXYEMPZOJJVKY-OAHLLOKOSA-N 1 2 319.351 3.114 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001142530270 1092495434 /nfs/dbraw/zinc/49/54/34/1092495434.db2.gz BJXYEMPZOJJVKY-OAHLLOKOSA-N 1 2 319.351 3.114 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222236853 1095503376 /nfs/dbraw/zinc/50/33/76/1095503376.db2.gz BYYMXCVXJFOOHY-HNNXBMFYSA-N 1 2 315.244 3.417 20 10 DGCDLO COc1cc2c(cc1OC)C[N@H+](Cc1c(O)cccc1F)CC2 ZINC001137837519 1095761196 /nfs/dbraw/zinc/76/11/96/1095761196.db2.gz KCGLRZOGLBSPIF-UHFFFAOYSA-N 1 2 317.360 3.107 20 10 DGCDLO COc1cc2c(cc1OC)C[N@@H+](Cc1c(O)cccc1F)CC2 ZINC001137837519 1095761207 /nfs/dbraw/zinc/76/12/07/1095761207.db2.gz KCGLRZOGLBSPIF-UHFFFAOYSA-N 1 2 317.360 3.107 20 10 DGCDLO COC(=O)[C@H](C)[N@H+](C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137858007 1095768994 /nfs/dbraw/zinc/76/89/94/1095768994.db2.gz SMAHBGPRAZTWNM-HNNXBMFYSA-N 1 2 300.402 3.087 20 10 DGCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137858007 1095769006 /nfs/dbraw/zinc/76/90/06/1095769006.db2.gz SMAHBGPRAZTWNM-HNNXBMFYSA-N 1 2 300.402 3.087 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@@](C)(C(F)F)C2)cc1 ZINC001118674091 1096052831 /nfs/dbraw/zinc/05/28/31/1096052831.db2.gz IMXSCMXRMBYBSG-LAQIPUCWSA-N 1 2 310.388 3.122 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCO[C@@](C)(C(F)F)C2)cc1 ZINC001118674091 1096052844 /nfs/dbraw/zinc/05/28/44/1096052844.db2.gz IMXSCMXRMBYBSG-LAQIPUCWSA-N 1 2 310.388 3.122 20 10 DGCDLO CCN(C)c1cc(NCc2cc3ccccc3cc2O)[nH+]cn1 ZINC001171400308 1096666084 /nfs/dbraw/zinc/66/60/84/1096666084.db2.gz SKIBTTUJQQONNN-UHFFFAOYSA-N 1 2 308.385 3.404 20 10 DGCDLO CCN(C)c1cc(NCc2cc3ccccc3cc2O)nc[nH+]1 ZINC001171400308 1096666088 /nfs/dbraw/zinc/66/60/88/1096666088.db2.gz SKIBTTUJQQONNN-UHFFFAOYSA-N 1 2 308.385 3.404 20 10 DGCDLO Cc1cc(C)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001231850424 1097863526 /nfs/dbraw/zinc/86/35/26/1097863526.db2.gz PDCSTXMKLGLLBU-UHFFFAOYSA-N 1 2 306.406 3.019 20 10 DGCDLO Cc1cc(C)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001231850424 1097863533 /nfs/dbraw/zinc/86/35/33/1097863533.db2.gz PDCSTXMKLGLLBU-UHFFFAOYSA-N 1 2 306.406 3.019 20 10 DGCDLO CC[C@H]1[N@H+](Cc2cccc(Cl)c2O)CCC[C@]12CCC(=O)N2 ZINC001231910327 1097890135 /nfs/dbraw/zinc/89/01/35/1097890135.db2.gz NGSHIFRXJFDQND-PBHICJAKSA-N 1 2 322.836 3.069 20 10 DGCDLO CC[C@H]1[N@@H+](Cc2cccc(Cl)c2O)CCC[C@]12CCC(=O)N2 ZINC001231910327 1097890138 /nfs/dbraw/zinc/89/01/38/1097890138.db2.gz NGSHIFRXJFDQND-PBHICJAKSA-N 1 2 322.836 3.069 20 10 DGCDLO CC(C)CC(=O)NC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231912146 1097890508 /nfs/dbraw/zinc/89/05/08/1097890508.db2.gz VXYARDASLRLUCX-UHFFFAOYSA-N 1 2 324.852 3.172 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001231911001 1097890610 /nfs/dbraw/zinc/89/06/10/1097890610.db2.gz YCMKZXVXYWPBCO-UHFFFAOYSA-N 1 2 317.772 3.333 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001231911001 1097890614 /nfs/dbraw/zinc/89/06/14/1097890614.db2.gz YCMKZXVXYWPBCO-UHFFFAOYSA-N 1 2 317.772 3.333 20 10 DGCDLO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231913150 1097890856 /nfs/dbraw/zinc/89/08/56/1097890856.db2.gz GDMKZUDZXDBRFV-CYBMUJFWSA-N 1 2 311.809 3.211 20 10 DGCDLO CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231913150 1097890862 /nfs/dbraw/zinc/89/08/62/1097890862.db2.gz GDMKZUDZXDBRFV-CYBMUJFWSA-N 1 2 311.809 3.211 20 10 DGCDLO CC(C)[N@H+](Cc1cc(Cl)c(O)cc1O)C1CCN(C)CC1 ZINC001232266470 1097986128 /nfs/dbraw/zinc/98/61/28/1097986128.db2.gz UHLCGGOTMCZNEA-UHFFFAOYSA-N 1 2 312.841 3.056 20 10 DGCDLO CC(C)[N@@H+](Cc1cc(Cl)c(O)cc1O)C1CCN(C)CC1 ZINC001232266470 1097986135 /nfs/dbraw/zinc/98/61/35/1097986135.db2.gz UHLCGGOTMCZNEA-UHFFFAOYSA-N 1 2 312.841 3.056 20 10 DGCDLO C[C@H]1C(=O)CC[N@H+](Cc2cc(Cl)c(O)cc2O)C12CCCC2 ZINC001232266489 1097986817 /nfs/dbraw/zinc/98/68/17/1097986817.db2.gz VDUOJQTYMQHVDN-NSHDSACASA-N 1 2 323.820 3.475 20 10 DGCDLO C[C@H]1C(=O)CC[N@@H+](Cc2cc(Cl)c(O)cc2O)C12CCCC2 ZINC001232266489 1097986820 /nfs/dbraw/zinc/98/68/20/1097986820.db2.gz VDUOJQTYMQHVDN-NSHDSACASA-N 1 2 323.820 3.475 20 10 DGCDLO Cc1c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)ccnc1Cl ZINC001232758117 1098129855 /nfs/dbraw/zinc/12/98/55/1098129855.db2.gz VFGFOYQJJBAWJP-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO Cc1c(C[N@H+]2CCCc3cc(O)c(O)cc3C2)ccnc1Cl ZINC001232758117 1098129857 /nfs/dbraw/zinc/12/98/57/1098129857.db2.gz VFGFOYQJJBAWJP-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001233030527 1098206396 /nfs/dbraw/zinc/20/63/96/1098206396.db2.gz WSPABNNGEYZDQO-QPUJVOFHSA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001233030527 1098206402 /nfs/dbraw/zinc/20/64/02/1098206402.db2.gz WSPABNNGEYZDQO-QPUJVOFHSA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCC2(CC2)C1 ZINC001233028328 1098206352 /nfs/dbraw/zinc/20/63/52/1098206352.db2.gz NOXUWPQDQUQTPV-UHFFFAOYSA-N 1 2 300.171 3.280 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCC2(CC2)C1 ZINC001233028328 1098206356 /nfs/dbraw/zinc/20/63/56/1098206356.db2.gz NOXUWPQDQUQTPV-UHFFFAOYSA-N 1 2 300.171 3.280 20 10 DGCDLO C[N@@H+](Cc1ccc(F)c(F)c1O)C[C@@H]1Cc2ccccc2O1 ZINC001233080681 1098221483 /nfs/dbraw/zinc/22/14/83/1098221483.db2.gz ZYAHRRGIZVASJA-ZDUSSCGKSA-N 1 2 305.324 3.106 20 10 DGCDLO C[N@H+](Cc1ccc(F)c(F)c1O)C[C@@H]1Cc2ccccc2O1 ZINC001233080681 1098221487 /nfs/dbraw/zinc/22/14/87/1098221487.db2.gz ZYAHRRGIZVASJA-ZDUSSCGKSA-N 1 2 305.324 3.106 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2C[C@@H](F)C[C@H]2C)cc1Br ZINC001233135606 1098234918 /nfs/dbraw/zinc/23/49/18/1098234918.db2.gz WOIQMZUBRODDSB-SCZZXKLOSA-N 1 2 318.186 3.096 20 10 DGCDLO COc1cc(O)c(C[N@H+]2C[C@@H](F)C[C@H]2C)cc1Br ZINC001233135606 1098234924 /nfs/dbraw/zinc/23/49/24/1098234924.db2.gz WOIQMZUBRODDSB-SCZZXKLOSA-N 1 2 318.186 3.096 20 10 DGCDLO COc1ccc2c(c1)CC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233331764 1098290155 /nfs/dbraw/zinc/29/01/55/1098290155.db2.gz JYGBLYRTWALHIK-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1ccc2c(c1)CC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233331764 1098290161 /nfs/dbraw/zinc/29/01/61/1098290161.db2.gz JYGBLYRTWALHIK-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001233336691 1098294811 /nfs/dbraw/zinc/29/48/11/1098294811.db2.gz VVCKFARQEOGICB-HNNXBMFYSA-N 1 2 311.372 3.452 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001233336691 1098294816 /nfs/dbraw/zinc/29/48/16/1098294816.db2.gz VVCKFARQEOGICB-HNNXBMFYSA-N 1 2 311.372 3.452 20 10 DGCDLO C[N@H+](CCc1cccnc1)Cc1cccc(C(F)(F)F)c1O ZINC001233418729 1098325092 /nfs/dbraw/zinc/32/50/92/1098325092.db2.gz SPMPTSAPYQVKGC-UHFFFAOYSA-N 1 2 310.319 3.481 20 10 DGCDLO C[N@@H+](CCc1cccnc1)Cc1cccc(C(F)(F)F)c1O ZINC001233418729 1098325096 /nfs/dbraw/zinc/32/50/96/1098325096.db2.gz SPMPTSAPYQVKGC-UHFFFAOYSA-N 1 2 310.319 3.481 20 10 DGCDLO Cc1ccccc1[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001177972705 1098679772 /nfs/dbraw/zinc/67/97/72/1098679772.db2.gz VCONCHADDUFAGO-HNNXBMFYSA-N 1 2 309.768 3.316 20 10 DGCDLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1c(F)cncc1F ZINC001178688955 1098909634 /nfs/dbraw/zinc/90/96/34/1098909634.db2.gz PJCPIWCUDVZIDR-ZETCQYMHSA-N 1 2 300.255 3.194 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001235303326 1098951463 /nfs/dbraw/zinc/95/14/63/1098951463.db2.gz MZWLTQATXUZSQN-SECBINFHSA-N 1 2 320.177 3.475 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@H](CF)C1 ZINC001235303326 1098951465 /nfs/dbraw/zinc/95/14/65/1098951465.db2.gz MZWLTQATXUZSQN-SECBINFHSA-N 1 2 320.177 3.475 20 10 DGCDLO Oc1c(Cl)cccc1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235854004 1099214428 /nfs/dbraw/zinc/21/44/28/1099214428.db2.gz DGYUTQVZHYURRZ-INIZCTEOSA-N 1 2 302.805 3.192 20 10 DGCDLO Nc1ccc2c(c1)CC[N@@H+](Cc1cc(F)c(Cl)cc1O)C2 ZINC001236110042 1099398838 /nfs/dbraw/zinc/39/88/38/1099398838.db2.gz XRARYGZJVAJDEH-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO Nc1ccc2c(c1)CC[N@H+](Cc1cc(F)c(Cl)cc1O)C2 ZINC001236110042 1099398849 /nfs/dbraw/zinc/39/88/49/1099398849.db2.gz XRARYGZJVAJDEH-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO Nc1ccc2c(c1)C[N@@H+](Cc1cc(F)c(Cl)cc1O)CC2 ZINC001236233803 1099488659 /nfs/dbraw/zinc/48/86/59/1099488659.db2.gz KNSZESLFLGZZQW-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO Nc1ccc2c(c1)C[N@H+](Cc1cc(F)c(Cl)cc1O)CC2 ZINC001236233803 1099488664 /nfs/dbraw/zinc/48/86/64/1099488664.db2.gz KNSZESLFLGZZQW-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO CCOC(=O)CC(C)(C)C[N@@H+]1CCCc2cc(OC)ccc21 ZINC001180716540 1099488941 /nfs/dbraw/zinc/48/89/41/1099488941.db2.gz UMALJCGBEUWGOV-UHFFFAOYSA-N 1 2 305.418 3.427 20 10 DGCDLO CCOC(=O)CC(C)(C)C[N@H+]1CCCc2cc(OC)ccc21 ZINC001180716540 1099488942 /nfs/dbraw/zinc/48/89/42/1099488942.db2.gz UMALJCGBEUWGOV-UHFFFAOYSA-N 1 2 305.418 3.427 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001203665598 1099567417 /nfs/dbraw/zinc/56/74/17/1099567417.db2.gz OUNGWYPSIZQYTF-UHFFFAOYSA-N 1 2 315.804 3.271 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001203665598 1099567419 /nfs/dbraw/zinc/56/74/19/1099567419.db2.gz OUNGWYPSIZQYTF-UHFFFAOYSA-N 1 2 315.804 3.271 20 10 DGCDLO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1nccnc1Cl ZINC001236623602 1099710589 /nfs/dbraw/zinc/71/05/89/1099710589.db2.gz GOMVQNZLHANEMO-UHFFFAOYSA-N 1 2 304.825 3.218 20 10 DGCDLO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1nccnc1Cl ZINC001236623602 1099710598 /nfs/dbraw/zinc/71/05/98/1099710598.db2.gz GOMVQNZLHANEMO-UHFFFAOYSA-N 1 2 304.825 3.218 20 10 DGCDLO Oc1cc(Cl)c(Cl)cc1C[NH+]1CC2(C1)CCOCC2 ZINC001236796487 1099789719 /nfs/dbraw/zinc/78/97/19/1099789719.db2.gz PKYRZPPCRFEDST-UHFFFAOYSA-N 1 2 302.201 3.311 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCc3nc(C)sc3C2)c(Cl)c1 ZINC001236802894 1099797176 /nfs/dbraw/zinc/79/71/76/1099797176.db2.gz LCOVTQMJAYEYQG-UHFFFAOYSA-N 1 2 324.833 3.377 20 10 DGCDLO COc1cc(C)c(C[N@@H+]2CCC[C@@H](F)C(F)(F)C2)c(O)c1 ZINC001236807185 1099801129 /nfs/dbraw/zinc/80/11/29/1099801129.db2.gz DDTCTMDNMCIOCE-CQSZACIVSA-N 1 2 303.324 3.278 20 10 DGCDLO COc1cc(C)c(C[N@H+]2CCC[C@@H](F)C(F)(F)C2)c(O)c1 ZINC001236807185 1099801135 /nfs/dbraw/zinc/80/11/35/1099801135.db2.gz DDTCTMDNMCIOCE-CQSZACIVSA-N 1 2 303.324 3.278 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c(O)c1Cl ZINC001236812583 1099802996 /nfs/dbraw/zinc/80/29/96/1099802996.db2.gz ZOMAMBGPIHWOLV-SECBINFHSA-N 1 2 309.715 3.438 20 10 DGCDLO CC(C)[C@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)CCO1 ZINC001237114863 1099976638 /nfs/dbraw/zinc/97/66/38/1099976638.db2.gz NOYURSVNSUEVEF-CQSZACIVSA-N 1 2 319.323 3.148 20 10 DGCDLO CC(C)[C@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CCO1 ZINC001237114863 1099976643 /nfs/dbraw/zinc/97/66/43/1099976643.db2.gz NOYURSVNSUEVEF-CQSZACIVSA-N 1 2 319.323 3.148 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)CCC1=O ZINC001237120795 1099982783 /nfs/dbraw/zinc/98/27/83/1099982783.db2.gz SEETYGFBAMOCPX-JTQLQIEISA-N 1 2 317.307 3.092 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CCC1=O ZINC001237120795 1099982796 /nfs/dbraw/zinc/98/27/96/1099982796.db2.gz SEETYGFBAMOCPX-JTQLQIEISA-N 1 2 317.307 3.092 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001237621088 1100190397 /nfs/dbraw/zinc/19/03/97/1100190397.db2.gz TZVOBSQKBJVROY-CQSZACIVSA-N 1 2 322.767 3.233 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001237621088 1100190402 /nfs/dbraw/zinc/19/04/02/1100190402.db2.gz TZVOBSQKBJVROY-CQSZACIVSA-N 1 2 322.767 3.233 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001237800835 1100251359 /nfs/dbraw/zinc/25/13/59/1100251359.db2.gz BYAGSSVTCIMFAE-CQSZACIVSA-N 1 2 322.767 3.233 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001237800835 1100251370 /nfs/dbraw/zinc/25/13/70/1100251370.db2.gz BYAGSSVTCIMFAE-CQSZACIVSA-N 1 2 322.767 3.233 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2O)CCC[C@@]1(C)O ZINC001237807942 1100253806 /nfs/dbraw/zinc/25/38/06/1100253806.db2.gz OSJPKVFGJRFJKN-MEBBXXQBSA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2O)CCC[C@@]1(C)O ZINC001237807942 1100253816 /nfs/dbraw/zinc/25/38/16/1100253816.db2.gz OSJPKVFGJRFJKN-MEBBXXQBSA-N 1 2 301.789 3.168 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cnc(C(F)(F)F)s1)CC2 ZINC001237953008 1100301723 /nfs/dbraw/zinc/30/17/23/1100301723.db2.gz VNVMWJSYYQEGIM-UHFFFAOYSA-N 1 2 314.332 3.426 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cnc(C(F)(F)F)s1)CC2 ZINC001237953008 1100301730 /nfs/dbraw/zinc/30/17/30/1100301730.db2.gz VNVMWJSYYQEGIM-UHFFFAOYSA-N 1 2 314.332 3.426 20 10 DGCDLO O=c1cc(-c2ccc3[nH+]ccn3c2)ccn1Cc1ccccc1 ZINC001240222041 1100901326 /nfs/dbraw/zinc/90/13/26/1100901326.db2.gz VKKSVOHWKOSTBY-UHFFFAOYSA-N 1 2 301.349 3.211 20 10 DGCDLO Cc1ccc(CC[NH2+]Cc2cccc(Br)c2O)nc1 ZINC000689483505 1105442165 /nfs/dbraw/zinc/44/21/65/1105442165.db2.gz CEGRTBOKCRTEEU-UHFFFAOYSA-N 1 2 321.218 3.190 20 10 DGCDLO CCOc1ccc(N2CC[NH+]([C@H](C)c3ncc(C)o3)CC2)cc1 ZINC001319753427 1108623076 /nfs/dbraw/zinc/62/30/76/1108623076.db2.gz KEEATXGTDJJCFJ-OAHLLOKOSA-N 1 2 315.417 3.265 20 10 DGCDLO CCN(C)c1ccc(C[NH2+]C2(C(=O)OC)CCCCCC2)cc1 ZINC001307653518 1111323387 /nfs/dbraw/zinc/32/33/87/1111323387.db2.gz GSSLSRLLDMQRDC-UHFFFAOYSA-N 1 2 318.461 3.498 20 10 DGCDLO COc1ccc(C[C@H]2CC[N@@H+]2Cc2ccc(F)c(F)c2O)cc1 ZINC001308603439 1111450036 /nfs/dbraw/zinc/45/00/36/1111450036.db2.gz KWHBFIBHUYMQMR-CQSZACIVSA-N 1 2 319.351 3.496 20 10 DGCDLO COc1ccc(C[C@H]2CC[N@H+]2Cc2ccc(F)c(F)c2O)cc1 ZINC001308603439 1111450037 /nfs/dbraw/zinc/45/00/37/1111450037.db2.gz KWHBFIBHUYMQMR-CQSZACIVSA-N 1 2 319.351 3.496 20 10 DGCDLO Oc1cc(F)c(F)cc1CNc1cccc(-n2cc[nH+]c2)c1 ZINC001308635908 1111454229 /nfs/dbraw/zinc/45/42/29/1111454229.db2.gz QFVFMLNECMWXTF-UHFFFAOYSA-N 1 2 301.296 3.468 20 10 DGCDLO C[N@H+](Cc1nccn1C(F)F)Cc1cccc(Cl)c1O ZINC000179704996 432068202 /nfs/dbraw/zinc/06/82/02/432068202.db2.gz IYHAFTMZWGJPNT-UHFFFAOYSA-N 1 2 301.724 3.269 20 10 DGCDLO C[N@@H+](Cc1nccn1C(F)F)Cc1cccc(Cl)c1O ZINC000179704996 432068204 /nfs/dbraw/zinc/06/82/04/432068204.db2.gz IYHAFTMZWGJPNT-UHFFFAOYSA-N 1 2 301.724 3.269 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)c(F)c1O ZINC000187828010 296157853 /nfs/dbraw/zinc/15/78/53/296157853.db2.gz QPBFPMJBRLWMGG-VDODNRGGSA-N 1 2 309.356 3.279 20 10 DGCDLO CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1O ZINC000286887805 131254602 /nfs/dbraw/zinc/25/46/02/131254602.db2.gz ISNOPZHSIWHQAA-PELKAZGASA-N 1 2 319.232 3.264 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccco2)cc1 ZINC000289373793 131379813 /nfs/dbraw/zinc/37/98/13/131379813.db2.gz BCYGQSHLNXRZRJ-UHFFFAOYSA-N 1 2 310.401 3.271 20 10 DGCDLO CN(C)c1ccc(C[N@H+](Cc2cc[nH]n2)Cc2ccco2)cc1 ZINC000289373793 131379814 /nfs/dbraw/zinc/37/98/14/131379814.db2.gz BCYGQSHLNXRZRJ-UHFFFAOYSA-N 1 2 310.401 3.271 20 10 DGCDLO CO[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000273363678 285608771 /nfs/dbraw/zinc/60/87/71/285608771.db2.gz DKNZAFLFKAKLSH-PXAZEXFGSA-N 1 2 316.357 3.339 20 10 DGCDLO CC[C@@H]([NH2+]C1CCC(C(=O)NC)CC1)c1cccc(Cl)c1O ZINC000287895066 286900434 /nfs/dbraw/zinc/90/04/34/286900434.db2.gz ZGCQWYSWUAYLIJ-KOHJWAIASA-N 1 2 324.852 3.391 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(F)c(F)c1O ZINC000187676402 287061897 /nfs/dbraw/zinc/06/18/97/287061897.db2.gz NOYCHGZSLQLJHW-PWSUYJOCSA-N 1 2 305.324 3.325 20 10 DGCDLO Cc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c(C)[nH+]1 ZINC000176775556 228319404 /nfs/dbraw/zinc/31/94/04/228319404.db2.gz ATHGLPWUPYJNFL-UHFFFAOYSA-N 1 2 322.412 3.396 20 10 DGCDLO Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000182089946 228366151 /nfs/dbraw/zinc/36/61/51/228366151.db2.gz ZAUYFVSHZDNXQX-CYBMUJFWSA-N 1 2 319.836 3.234 20 10 DGCDLO Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000182089946 228366156 /nfs/dbraw/zinc/36/61/56/228366156.db2.gz ZAUYFVSHZDNXQX-CYBMUJFWSA-N 1 2 319.836 3.234 20 10 DGCDLO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000182089946 228366157 /nfs/dbraw/zinc/36/61/57/228366157.db2.gz ZAUYFVSHZDNXQX-CYBMUJFWSA-N 1 2 319.836 3.234 20 10 DGCDLO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000182089946 228366160 /nfs/dbraw/zinc/36/61/60/228366160.db2.gz ZAUYFVSHZDNXQX-CYBMUJFWSA-N 1 2 319.836 3.234 20 10 DGCDLO C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000270478140 432249862 /nfs/dbraw/zinc/24/98/62/432249862.db2.gz IXLABJLYTCXTNO-SNVBAGLBSA-N 1 2 318.122 3.102 20 10 DGCDLO CC[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cccc(Cl)c1O ZINC000287547473 288037032 /nfs/dbraw/zinc/03/70/32/288037032.db2.gz FKOBMFFPLPJFNM-ZDUSSCGKSA-N 1 2 310.825 3.132 20 10 DGCDLO CC[C@H]([NH2+]CC(=O)NC(C)C)c1cc(Cl)cc(Cl)c1O ZINC000287700178 288035707 /nfs/dbraw/zinc/03/57/07/288035707.db2.gz NOSBDRWKQSRQGJ-LBPRGKRZSA-N 1 2 319.232 3.264 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1O ZINC000287314420 288090011 /nfs/dbraw/zinc/09/00/11/288090011.db2.gz DAZQVOGYGKCYFH-KBPBESRZSA-N 1 2 310.825 3.096 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000250738686 432367594 /nfs/dbraw/zinc/36/75/94/432367594.db2.gz IXNNXTVDEDUUDP-ZDUSSCGKSA-N 1 2 315.244 3.369 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000250738686 432367598 /nfs/dbraw/zinc/36/75/98/432367598.db2.gz IXNNXTVDEDUUDP-ZDUSSCGKSA-N 1 2 315.244 3.369 20 10 DGCDLO OCCC[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000271728743 432422958 /nfs/dbraw/zinc/42/29/58/432422958.db2.gz MKQWZALHYUADKO-UHFFFAOYSA-N 1 2 305.805 3.430 20 10 DGCDLO OCCC[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000271728743 432422959 /nfs/dbraw/zinc/42/29/59/432422959.db2.gz MKQWZALHYUADKO-UHFFFAOYSA-N 1 2 305.805 3.430 20 10 DGCDLO Oc1ccccc1C[N@@H+](Cc1cscn1)C[C@H]1CCCO1 ZINC000176799407 432553606 /nfs/dbraw/zinc/55/36/06/432553606.db2.gz NUJUXTXEAMFPTN-OAHLLOKOSA-N 1 2 304.415 3.030 20 10 DGCDLO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(F)c(F)c1O ZINC000187668284 432676018 /nfs/dbraw/zinc/67/60/18/432676018.db2.gz SLWAMUIRHJUYQT-OTYXRUKQSA-N 1 2 311.303 3.194 20 10 DGCDLO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2O)[nH]1 ZINC000276851334 432827193 /nfs/dbraw/zinc/82/71/93/432827193.db2.gz BCRCNFGYIYTVNG-IUCAKERBSA-N 1 2 310.348 3.324 20 10 DGCDLO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000277003704 432827678 /nfs/dbraw/zinc/82/76/78/432827678.db2.gz ZRLQQMIEFBPYIM-SFYZADRCSA-N 1 2 313.266 3.288 20 10 DGCDLO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(F)c(F)c1O ZINC000276904125 432827945 /nfs/dbraw/zinc/82/79/45/432827945.db2.gz JMNAULHAZZTKPP-TZMCWYRMSA-N 1 2 321.367 3.315 20 10 DGCDLO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1ccc(F)cc1O ZINC000296617253 432924253 /nfs/dbraw/zinc/92/42/53/432924253.db2.gz WQNXWJONJBMBLC-QMMMGPOBSA-N 1 2 315.270 3.191 20 10 DGCDLO CCC[NH+](CCC)c1ccc(CN[C@]2(C)CCOC2=O)cc1 ZINC000289828346 432974307 /nfs/dbraw/zinc/97/43/07/432974307.db2.gz OCNVLZLWRLMLQR-GOSISDBHSA-N 1 2 304.434 3.108 20 10 DGCDLO CCOCc1nc([C@H](C)[NH2+][C@H](CC)c2ccc(F)cc2O)no1 ZINC000290034567 432983303 /nfs/dbraw/zinc/98/33/03/432983303.db2.gz DCQVDKYKMDZPJG-GXFFZTMASA-N 1 2 323.368 3.253 20 10 DGCDLO CCOCc1nc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)no1 ZINC000290113699 432993887 /nfs/dbraw/zinc/99/38/87/432993887.db2.gz IWZZQKZJWYZALU-NEPJUHHUSA-N 1 2 305.378 3.032 20 10 DGCDLO C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290323534 433032848 /nfs/dbraw/zinc/03/28/48/433032848.db2.gz DEDBKIDPZNRWPA-UHFFFAOYSA-N 1 2 314.216 3.418 20 10 DGCDLO C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290323534 433032853 /nfs/dbraw/zinc/03/28/53/433032853.db2.gz DEDBKIDPZNRWPA-UHFFFAOYSA-N 1 2 314.216 3.418 20 10 DGCDLO CCc1nc(C)c(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)o1 ZINC000291822818 433366981 /nfs/dbraw/zinc/36/69/81/433366981.db2.gz DOFLGFLTIYNITR-VIFPVBQESA-N 1 2 305.334 3.010 20 10 DGCDLO COc1ccc(N2CC[NH+](Cc3ccnc(Cl)c3)CC2)cc1 ZINC000299645948 433374670 /nfs/dbraw/zinc/37/46/70/433374670.db2.gz RDCWLOJHINFRAH-UHFFFAOYSA-N 1 2 317.820 3.066 20 10 DGCDLO COc1ccc([NH+]2CCC(Nc3cncc(Cl)n3)CC2)cc1 ZINC000301195763 433448337 /nfs/dbraw/zinc/44/83/37/433448337.db2.gz UFNCEWYSIYPGRT-UHFFFAOYSA-N 1 2 318.808 3.220 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2O)no1 ZINC000376167896 433683352 /nfs/dbraw/zinc/68/33/52/433683352.db2.gz UMIFWNZQQIYUDE-CYBMUJFWSA-N 1 2 305.353 3.204 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2O)no1 ZINC000376167896 433683362 /nfs/dbraw/zinc/68/33/62/433683362.db2.gz UMIFWNZQQIYUDE-CYBMUJFWSA-N 1 2 305.353 3.204 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+]C(C)(C)c2nc(C)no2)cc1F ZINC000283887216 433794204 /nfs/dbraw/zinc/79/42/04/433794204.db2.gz HIIPFFWBIVRCDM-UHFFFAOYSA-N 1 2 320.412 3.388 20 10 DGCDLO CCc1cnc(C[NH2+]Cc2cc(Cl)c(F)cc2O)s1 ZINC000293688089 433828635 /nfs/dbraw/zinc/82/86/35/433828635.db2.gz SAHISIQFMDSVDQ-UHFFFAOYSA-N 1 2 300.786 3.493 20 10 DGCDLO CCOc1cccc(C[N@@H+]2CC(C)(C)[C@H]2c2nccn2C)c1O ZINC000294785788 434147164 /nfs/dbraw/zinc/14/71/64/434147164.db2.gz LPEROBJNFWACKN-MRXNPFEDSA-N 1 2 315.417 3.108 20 10 DGCDLO CCOc1cccc(C[N@H+]2CC(C)(C)[C@H]2c2nccn2C)c1O ZINC000294785788 434147172 /nfs/dbraw/zinc/14/71/72/434147172.db2.gz LPEROBJNFWACKN-MRXNPFEDSA-N 1 2 315.417 3.108 20 10 DGCDLO Cc1cnn([C@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)c1 ZINC000365623125 434304864 /nfs/dbraw/zinc/30/48/64/434304864.db2.gz PSVBGVWCNWDFGR-NSHDSACASA-N 1 2 309.772 3.137 20 10 DGCDLO Cc1cnn([C@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)c1 ZINC000365623125 434304873 /nfs/dbraw/zinc/30/48/73/434304873.db2.gz PSVBGVWCNWDFGR-NSHDSACASA-N 1 2 309.772 3.137 20 10 DGCDLO CC[C@@H]([NH2+]CCCNC(C)=O)c1cc(Cl)cc(Cl)c1O ZINC000287897941 434474298 /nfs/dbraw/zinc/47/42/98/434474298.db2.gz ZKNSJXDCDKCGKU-CYBMUJFWSA-N 1 2 319.232 3.266 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc2ccccc2c1O ZINC000370399705 434611087 /nfs/dbraw/zinc/61/10/87/434611087.db2.gz VMOXWRMDJRQKEL-IUODEOHRSA-N 1 2 307.397 3.477 20 10 DGCDLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2cc(C)c(C)cc2O)no1 ZINC000372840074 434858143 /nfs/dbraw/zinc/85/81/43/434858143.db2.gz UGRPQSVWBVBOHN-OAHLLOKOSA-N 1 2 301.390 3.428 20 10 DGCDLO Cc1nc([C@H]2CCCC[N@H+]2Cc2cc(C)c(C)cc2O)no1 ZINC000372840074 434858145 /nfs/dbraw/zinc/85/81/45/434858145.db2.gz UGRPQSVWBVBOHN-OAHLLOKOSA-N 1 2 301.390 3.428 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000184805214 337200252 /nfs/dbraw/zinc/20/02/52/337200252.db2.gz BNKVQYWRKAAAJY-UHFFFAOYSA-N 1 2 317.820 3.153 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000184805214 337200253 /nfs/dbraw/zinc/20/02/53/337200253.db2.gz BNKVQYWRKAAAJY-UHFFFAOYSA-N 1 2 317.820 3.153 20 10 DGCDLO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191212958 524801375 /nfs/dbraw/zinc/80/13/75/524801375.db2.gz PYANCCHYUOZAHV-IINYFYTJSA-N 1 2 323.339 3.063 20 10 DGCDLO Cc1cnc(C[NH2+]Cc2cccc(Br)c2O)s1 ZINC000230686670 546274830 /nfs/dbraw/zinc/27/48/30/546274830.db2.gz KFIHXSFJXPSACZ-UHFFFAOYSA-N 1 2 313.220 3.209 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2nccn2C)c(O)c(C(C)(C)C)c1 ZINC000732475756 574574751 /nfs/dbraw/zinc/57/47/51/574574751.db2.gz MTXLDULYUASLLH-UHFFFAOYSA-N 1 2 317.433 3.064 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2nccn2C)c(O)c(C(C)(C)C)c1 ZINC000732475756 574574753 /nfs/dbraw/zinc/57/47/53/574574753.db2.gz MTXLDULYUASLLH-UHFFFAOYSA-N 1 2 317.433 3.064 20 10 DGCDLO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cccc(Br)c1O ZINC000743499195 575054869 /nfs/dbraw/zinc/05/48/69/575054869.db2.gz JJMGGZFPIOEQIX-CMPLNLGQSA-N 1 2 316.239 3.041 20 10 DGCDLO COc1ccc([NH+]2CCC(NC(=O)C=C3CCCC3)CC2)cc1 ZINC000726562051 576031225 /nfs/dbraw/zinc/03/12/25/576031225.db2.gz DIMWJZVREJDDEB-UHFFFAOYSA-N 1 2 314.429 3.281 20 10 DGCDLO CCC[C@H](C)NC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726609658 576033410 /nfs/dbraw/zinc/03/34/10/576033410.db2.gz AHXSMSREZCGFSG-AWEZNQCLSA-N 1 2 319.449 3.152 20 10 DGCDLO CCC(C)(C)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726776649 576041917 /nfs/dbraw/zinc/04/19/17/576041917.db2.gz YKLZDUMFJKMQSW-UHFFFAOYSA-N 1 2 304.434 3.216 20 10 DGCDLO COCCC1(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000151173828 617939160 /nfs/dbraw/zinc/93/91/60/617939160.db2.gz JSHZNAPXVDAZJM-UHFFFAOYSA-N 1 2 314.223 3.061 20 10 DGCDLO C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000854232447 620787065 /nfs/dbraw/zinc/78/70/65/620787065.db2.gz QDEZLMZXQQHKJK-HTQZYQBOSA-N 1 2 321.646 3.067 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000894793796 618462353 /nfs/dbraw/zinc/46/23/53/618462353.db2.gz IWQQSMGBEFODSE-GOEBONIOSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000894793796 618462357 /nfs/dbraw/zinc/46/23/57/618462357.db2.gz IWQQSMGBEFODSE-GOEBONIOSA-N 1 2 309.356 3.204 20 10 DGCDLO CS[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894881254 618486176 /nfs/dbraw/zinc/48/61/76/618486176.db2.gz UUHUACSHTXIOPN-JTQLQIEISA-N 1 2 320.227 3.231 20 10 DGCDLO CS[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000894881254 618486177 /nfs/dbraw/zinc/48/61/77/618486177.db2.gz UUHUACSHTXIOPN-JTQLQIEISA-N 1 2 320.227 3.231 20 10 DGCDLO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2c2noc(C)n2)c1O ZINC000893968881 618684807 /nfs/dbraw/zinc/68/48/07/618684807.db2.gz NAEZECOZJHZNIK-CQSZACIVSA-N 1 2 317.389 3.128 20 10 DGCDLO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2c2noc(C)n2)c1O ZINC000893968881 618684811 /nfs/dbraw/zinc/68/48/11/618684811.db2.gz NAEZECOZJHZNIK-CQSZACIVSA-N 1 2 317.389 3.128 20 10 DGCDLO CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000895821628 618836225 /nfs/dbraw/zinc/83/62/25/618836225.db2.gz GBUUVQNVYNRXTP-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO COc1cc2c(cc1O)CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC000895888045 618845507 /nfs/dbraw/zinc/84/55/07/618845507.db2.gz GBLLBWADRKTHBY-UHFFFAOYSA-N 1 2 319.788 3.318 20 10 DGCDLO COc1cc2c(cc1O)CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC000895888045 618845508 /nfs/dbraw/zinc/84/55/08/618845508.db2.gz GBLLBWADRKTHBY-UHFFFAOYSA-N 1 2 319.788 3.318 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000896600400 618933115 /nfs/dbraw/zinc/93/31/15/618933115.db2.gz WZROJKUFRPXFFO-CQSZACIVSA-N 1 2 307.756 3.216 20 10 DGCDLO Oc1c(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)ccc(F)c1F ZINC000896791785 618959523 /nfs/dbraw/zinc/95/95/23/618959523.db2.gz DUTGPXCVDLLECR-GJZGRUSLSA-N 1 2 316.351 3.134 20 10 DGCDLO Oc1c(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)ccc(F)c1F ZINC000896791785 618959526 /nfs/dbraw/zinc/95/95/26/618959526.db2.gz DUTGPXCVDLLECR-GJZGRUSLSA-N 1 2 316.351 3.134 20 10 DGCDLO CC(C)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1cnn(C)c1 ZINC000897080786 619011856 /nfs/dbraw/zinc/01/18/56/619011856.db2.gz CASYXLQYYKXASX-CQSZACIVSA-N 1 2 311.788 3.405 20 10 DGCDLO Cc1ccc(NCC[NH2+]Cc2cc(Cl)cc(F)c2O)nc1 ZINC000897182202 619026151 /nfs/dbraw/zinc/02/61/51/619026151.db2.gz WRCIEHJIXQKBDT-UHFFFAOYSA-N 1 2 309.772 3.090 20 10 DGCDLO OCCc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000898171579 619220390 /nfs/dbraw/zinc/22/03/90/619220390.db2.gz XQEKJUVHRMKQKP-UHFFFAOYSA-N 1 2 309.768 3.009 20 10 DGCDLO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]1SC ZINC000898218364 619222246 /nfs/dbraw/zinc/22/22/46/619222246.db2.gz FRVGGUCVOCTVMH-OUCADQQQSA-N 1 2 301.839 3.044 20 10 DGCDLO CCOC(=O)c1cc(C[NH2+]Cc2cccc(Cl)c2O)[nH]c1C ZINC000898218517 619222291 /nfs/dbraw/zinc/22/22/91/619222291.db2.gz JCGQLGBZLOXXIW-UHFFFAOYSA-N 1 2 322.792 3.149 20 10 DGCDLO CCOc1ccc(C[NH2+]Cc2cccc(Cl)c2O)c(O)c1 ZINC000898219473 619222912 /nfs/dbraw/zinc/22/29/12/619222912.db2.gz HMAPRNBBVKYKLF-UHFFFAOYSA-N 1 2 307.777 3.440 20 10 DGCDLO OC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccsc1 ZINC000770668162 620890995 /nfs/dbraw/zinc/89/09/95/620890995.db2.gz KLLNJAWBLGKZHS-GFCCVEGCSA-N 1 2 301.770 3.069 20 10 DGCDLO [NH3+][C@]12CCC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC000857226192 621071593 /nfs/dbraw/zinc/07/15/93/621071593.db2.gz HEZVXNRECLIZAQ-YGRLFVJLSA-N 1 2 301.217 3.012 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922732429 621092491 /nfs/dbraw/zinc/09/24/91/621092491.db2.gz QFNBOWNHOUVMSM-DTWKUNHWSA-N 1 2 324.140 3.443 20 10 DGCDLO CN(C)c1cc(F)c(C[NH2+]Cc2cn3ccsc3n2)cc1F ZINC000858110188 621154052 /nfs/dbraw/zinc/15/40/52/621154052.db2.gz LWGPTJBHMJAENA-UHFFFAOYSA-N 1 2 322.384 3.030 20 10 DGCDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858172211 621161133 /nfs/dbraw/zinc/16/11/33/621161133.db2.gz MYYJUEYWZJFZEI-LLVKDONJSA-N 1 2 308.376 3.098 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cc(F)cc(F)c1O ZINC000858479076 621196210 /nfs/dbraw/zinc/19/62/10/621196210.db2.gz IFBSTKXROTUVLQ-MWLCHTKSSA-N 1 2 320.330 3.051 20 10 DGCDLO CC[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cccc(Cl)c1O ZINC000806139567 621390607 /nfs/dbraw/zinc/39/06/07/621390607.db2.gz PRPWBNZACDWTJE-SWLSCSKDSA-N 1 2 313.825 3.139 20 10 DGCDLO CCc1nc(C[N@H+](C)Cc2cc(C)cc(OC)c2O)cs1 ZINC000754723849 621528172 /nfs/dbraw/zinc/52/81/72/621528172.db2.gz XAAHGONOSNAIMK-UHFFFAOYSA-N 1 2 306.431 3.360 20 10 DGCDLO CCc1nc(C[N@@H+](C)Cc2cc(C)cc(OC)c2O)cs1 ZINC000754723849 621528173 /nfs/dbraw/zinc/52/81/73/621528173.db2.gz XAAHGONOSNAIMK-UHFFFAOYSA-N 1 2 306.431 3.360 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC2(CCC2)O1 ZINC000862400285 621585055 /nfs/dbraw/zinc/58/50/55/621585055.db2.gz SEVXPAKEUKKXNS-LBPRGKRZSA-N 1 2 310.388 3.174 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC2(CCC2)O1 ZINC000862400285 621585058 /nfs/dbraw/zinc/58/50/58/621585058.db2.gz SEVXPAKEUKKXNS-LBPRGKRZSA-N 1 2 310.388 3.174 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cc(F)cc(F)c1O ZINC000756378874 621633054 /nfs/dbraw/zinc/63/30/54/621633054.db2.gz JFSOPXCLUUXPPL-GXFFZTMASA-N 1 2 305.324 3.325 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cc(F)cc(F)c1O ZINC000756393094 621634758 /nfs/dbraw/zinc/63/47/58/621634758.db2.gz PXRWSTSOQVWJKC-SECBINFHSA-N 1 2 321.327 3.012 20 10 DGCDLO Cc1ccc2nc(C[NH2+][C@H](C)c3cc(F)cc(F)c3O)cn2c1 ZINC000756532886 621645354 /nfs/dbraw/zinc/64/53/54/621645354.db2.gz GUOYPHADIGWSAS-LLVKDONJSA-N 1 2 317.339 3.477 20 10 DGCDLO CC[C@H](CCO)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756602262 621651595 /nfs/dbraw/zinc/65/15/95/621651595.db2.gz DMEBNROQVBKATI-RKDXNWHRSA-N 1 2 320.202 3.105 20 10 DGCDLO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1cc(F)cc(F)c1O ZINC000756635680 621654487 /nfs/dbraw/zinc/65/44/87/621654487.db2.gz GYZXBXKMCSMTEI-MRVPVSSYSA-N 1 2 313.373 3.044 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1CCSC1)c1cc(Br)c(F)cc1O ZINC000756734144 621661379 /nfs/dbraw/zinc/66/13/79/621661379.db2.gz UXXAKLGRPUTGIZ-HTQZYQBOSA-N 1 2 320.227 3.450 20 10 DGCDLO C[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cc(F)cc(F)c1O ZINC000756771334 621663268 /nfs/dbraw/zinc/66/32/68/621663268.db2.gz VKXKXBDQAWILPS-ZMZPIMSZSA-N 1 2 319.351 3.155 20 10 DGCDLO COCC1([NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000756849483 621667914 /nfs/dbraw/zinc/66/79/14/621667914.db2.gz BGHSZRVTYJWJDN-MRVPVSSYSA-N 1 2 318.186 3.123 20 10 DGCDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)[nH]2)c1 ZINC000756867129 621668971 /nfs/dbraw/zinc/66/89/71/621668971.db2.gz GJORAXTXCZSHCO-LBPRGKRZSA-N 1 2 324.384 3.037 20 10 DGCDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(-c3ccccc3)n[nH]2)c1 ZINC000756867129 621668973 /nfs/dbraw/zinc/66/89/73/621668973.db2.gz GJORAXTXCZSHCO-LBPRGKRZSA-N 1 2 324.384 3.037 20 10 DGCDLO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)[nH]2)c1 ZINC000756867101 621669250 /nfs/dbraw/zinc/66/92/50/621669250.db2.gz FUTXGDBREDGEAU-CYBMUJFWSA-N 1 2 308.385 3.337 20 10 DGCDLO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(-c3ccccc3)n[nH]2)c1 ZINC000756867101 621669251 /nfs/dbraw/zinc/66/92/51/621669251.db2.gz FUTXGDBREDGEAU-CYBMUJFWSA-N 1 2 308.385 3.337 20 10 DGCDLO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000757655908 621731019 /nfs/dbraw/zinc/73/10/19/621731019.db2.gz LORGIXKDKYDVAI-HRDYMLBCSA-N 1 2 320.202 3.104 20 10 DGCDLO Cn1nc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c2ccccc21 ZINC000761224996 621995523 /nfs/dbraw/zinc/99/55/23/621995523.db2.gz DVQJDZQGABBXHE-UHFFFAOYSA-N 1 2 319.767 3.361 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cc(F)cc(F)c1O ZINC000866538272 622134586 /nfs/dbraw/zinc/13/45/86/622134586.db2.gz QAPIRWKRFLKUNT-GMXABZIVSA-N 1 2 311.372 3.384 20 10 DGCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](C(F)(F)F)C1)CCCC2 ZINC000768445182 622457032 /nfs/dbraw/zinc/45/70/32/622457032.db2.gz GIVILXITQCRGFA-HNNXBMFYSA-N 1 2 315.335 3.034 20 10 DGCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](C(F)(F)F)C1)CCCC2 ZINC000768445182 622457033 /nfs/dbraw/zinc/45/70/33/622457033.db2.gz GIVILXITQCRGFA-HNNXBMFYSA-N 1 2 315.335 3.034 20 10 DGCDLO COc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1Cn1cccn1 ZINC000873126597 623041957 /nfs/dbraw/zinc/04/19/57/623041957.db2.gz JEMDKOVQWDCGEX-MRXNPFEDSA-N 1 2 321.371 3.217 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1cc(Cl)c(Cl)cc1O ZINC000774264798 623126560 /nfs/dbraw/zinc/12/65/60/623126560.db2.gz BUNILVWKRDGFJA-MRVPVSSYSA-N 1 2 300.189 3.283 20 10 DGCDLO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775190223 623240474 /nfs/dbraw/zinc/24/04/74/623240474.db2.gz NXQJKPFWKDJBSJ-LLVKDONJSA-N 1 2 323.799 3.298 20 10 DGCDLO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775190223 623240479 /nfs/dbraw/zinc/24/04/79/623240479.db2.gz NXQJKPFWKDJBSJ-LLVKDONJSA-N 1 2 323.799 3.298 20 10 DGCDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775643611 623302091 /nfs/dbraw/zinc/30/20/91/623302091.db2.gz SPDZNKPQUQSZBU-CQSZACIVSA-N 1 2 311.809 3.272 20 10 DGCDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775643611 623302097 /nfs/dbraw/zinc/30/20/97/623302097.db2.gz SPDZNKPQUQSZBU-CQSZACIVSA-N 1 2 311.809 3.272 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000775657868 623306619 /nfs/dbraw/zinc/30/66/19/623306619.db2.gz ALUYZZYFQCTEMQ-JTQLQIEISA-N 1 2 309.772 3.287 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000775657868 623306626 /nfs/dbraw/zinc/30/66/26/623306626.db2.gz ALUYZZYFQCTEMQ-JTQLQIEISA-N 1 2 309.772 3.287 20 10 DGCDLO CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000775662302 623308752 /nfs/dbraw/zinc/30/87/52/623308752.db2.gz DQSACMVSTCYDJL-UHFFFAOYSA-N 1 2 315.772 3.102 20 10 DGCDLO CCOC(=O)CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000775662302 623308755 /nfs/dbraw/zinc/30/87/55/623308755.db2.gz DQSACMVSTCYDJL-UHFFFAOYSA-N 1 2 315.772 3.102 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC1(O)CCCCCC1 ZINC000776208861 623396667 /nfs/dbraw/zinc/39/66/67/623396667.db2.gz IRXLPQOLMHNGPV-UHFFFAOYSA-N 1 2 301.789 3.360 20 10 DGCDLO CC(C)(C)OC(=O)CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776215859 623398505 /nfs/dbraw/zinc/39/85/05/623398505.db2.gz IOGRLFYRAACRPS-UHFFFAOYSA-N 1 2 303.761 3.006 20 10 DGCDLO CC1(C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@@H]2CCCO[C@@H]21 ZINC000776223536 623399276 /nfs/dbraw/zinc/39/92/76/623399276.db2.gz JJGPEYWKCSFTOZ-GLQYFDAESA-N 1 2 313.800 3.478 20 10 DGCDLO CC[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)c1cccc(Cl)c1O ZINC000806147983 623614420 /nfs/dbraw/zinc/61/44/20/623614420.db2.gz BRPSNXCNBWVZDV-WSHAHDTKSA-N 1 2 303.855 3.243 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2ccc(F)c(F)c2O)cc(OC)c1 ZINC000876596539 623655688 /nfs/dbraw/zinc/65/56/88/623655688.db2.gz AGXJLJAYBRULAD-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2ccc(F)c(F)c2O)cc(OC)c1 ZINC000876596539 623655692 /nfs/dbraw/zinc/65/56/92/623655692.db2.gz AGXJLJAYBRULAD-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO Oc1c(CN2CCC[N@@H+](C3CCCC3)CC2)ccc(F)c1F ZINC000876656393 623672354 /nfs/dbraw/zinc/67/23/54/623672354.db2.gz NITCBBSRXUHOEK-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO Oc1c(CN2CCC[N@H+](C3CCCC3)CC2)ccc(F)c1F ZINC000876656393 623672357 /nfs/dbraw/zinc/67/23/57/623672357.db2.gz NITCBBSRXUHOEK-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@H]1CCCC[C@H]1O ZINC000779154991 623735544 /nfs/dbraw/zinc/73/55/44/623735544.db2.gz XVRDFQAPQLYSJS-QMTHXVAHSA-N 1 2 301.789 3.168 20 10 DGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@H]1CCCC[C@H]1O ZINC000779154991 623735548 /nfs/dbraw/zinc/73/55/48/623735548.db2.gz XVRDFQAPQLYSJS-QMTHXVAHSA-N 1 2 301.789 3.168 20 10 DGCDLO CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1O ZINC000806148082 623747338 /nfs/dbraw/zinc/74/73/38/623747338.db2.gz QHHDYKFCJBWNPC-SMDDNHRTSA-N 1 2 324.852 3.486 20 10 DGCDLO Oc1c(CNc2ccc(N3CCCC3)[nH+]c2)ccc(F)c1F ZINC000877116007 623793950 /nfs/dbraw/zinc/79/39/50/623793950.db2.gz ONRLAODVZZVTBS-UHFFFAOYSA-N 1 2 305.328 3.278 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)ccc(F)c1F ZINC000877195347 623824785 /nfs/dbraw/zinc/82/47/85/623824785.db2.gz JGKXEUVUVWLQCZ-ZDUSSCGKSA-N 1 2 304.340 3.130 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)ccc(F)c1F ZINC000877195347 623824791 /nfs/dbraw/zinc/82/47/91/623824791.db2.gz JGKXEUVUVWLQCZ-ZDUSSCGKSA-N 1 2 304.340 3.130 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877739348 624012190 /nfs/dbraw/zinc/01/21/90/624012190.db2.gz RUIMFLLEYRWRAT-GXSJLCMTSA-N 1 2 301.814 3.370 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877739348 624012194 /nfs/dbraw/zinc/01/21/94/624012194.db2.gz RUIMFLLEYRWRAT-GXSJLCMTSA-N 1 2 301.814 3.370 20 10 DGCDLO C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@H]21 ZINC000877744637 624017012 /nfs/dbraw/zinc/01/70/12/624017012.db2.gz WFCGXPSRSSYFAC-QMTHXVAHSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@H]21 ZINC000877744637 624017016 /nfs/dbraw/zinc/01/70/16/624017016.db2.gz WFCGXPSRSSYFAC-QMTHXVAHSA-N 1 2 315.244 3.225 20 10 DGCDLO C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@H]21 ZINC000877744637 624017022 /nfs/dbraw/zinc/01/70/22/624017022.db2.gz WFCGXPSRSSYFAC-QMTHXVAHSA-N 1 2 315.244 3.225 20 10 DGCDLO C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@H]21 ZINC000877744637 624017026 /nfs/dbraw/zinc/01/70/26/624017026.db2.gz WFCGXPSRSSYFAC-QMTHXVAHSA-N 1 2 315.244 3.225 20 10 DGCDLO CCN1C(=O)/C(=C\c2cc(-n3cc[nH+]c3)cs2)SC1=S ZINC000783685229 624383229 /nfs/dbraw/zinc/38/32/29/624383229.db2.gz LEMCSJWRMVKVAZ-IZZDOVSWSA-N 1 2 321.452 3.155 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)[C@@H](C)[C@H](C)O1 ZINC000783738884 624389936 /nfs/dbraw/zinc/38/99/36/624389936.db2.gz YHKIJZVYMDOLOE-VWYCJHECSA-N 1 2 314.223 3.152 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)[C@@H](C)[C@H](C)O1 ZINC000783738884 624389937 /nfs/dbraw/zinc/38/99/37/624389937.db2.gz YHKIJZVYMDOLOE-VWYCJHECSA-N 1 2 314.223 3.152 20 10 DGCDLO CC[NH+]1CCC(N(C)Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792156786 625916402 /nfs/dbraw/zinc/91/64/02/625916402.db2.gz MRZKERAXEXDMGY-UHFFFAOYSA-N 1 2 300.805 3.101 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000792174390 625919766 /nfs/dbraw/zinc/91/97/66/625919766.db2.gz UUEUOABRFBZIGP-QMMMGPOBSA-N 1 2 309.715 3.388 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000792174390 625919767 /nfs/dbraw/zinc/91/97/67/625919767.db2.gz UUEUOABRFBZIGP-QMMMGPOBSA-N 1 2 309.715 3.388 20 10 DGCDLO COc1cc(CNc2cc(CO)cc[nH+]2)c(O)c(C(C)(C)C)c1 ZINC000883147720 625943451 /nfs/dbraw/zinc/94/34/51/625943451.db2.gz FQRGAQYRLUXNPW-UHFFFAOYSA-N 1 2 316.401 3.198 20 10 DGCDLO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1O ZINC000799738955 626327087 /nfs/dbraw/zinc/32/70/87/626327087.db2.gz DHHPEECXYIXCEG-HNNXBMFYSA-N 1 2 305.805 3.129 20 10 DGCDLO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)C(F)F)c1O ZINC000883400013 626673242 /nfs/dbraw/zinc/67/32/42/626673242.db2.gz BKZMZZXMOBHRCB-RNFRBKRXSA-N 1 2 324.165 3.468 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCc3occc3C2)c1O ZINC000808797094 626862163 /nfs/dbraw/zinc/86/21/63/626862163.db2.gz HMFONGQLJUYYCS-UHFFFAOYSA-N 1 2 303.333 3.275 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCc3occc3C2)c1O ZINC000808797094 626862167 /nfs/dbraw/zinc/86/21/67/626862167.db2.gz HMFONGQLJUYYCS-UHFFFAOYSA-N 1 2 303.333 3.275 20 10 DGCDLO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809728620 626942500 /nfs/dbraw/zinc/94/25/00/626942500.db2.gz DBFMMZFBNGNKEA-CYBMUJFWSA-N 1 2 322.767 3.453 20 10 DGCDLO CCCCN(C)C[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809793263 626954835 /nfs/dbraw/zinc/95/48/35/626954835.db2.gz VHRIZHJJAVZAAF-NSHDSACASA-N 1 2 302.821 3.395 20 10 DGCDLO CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000811519119 627287086 /nfs/dbraw/zinc/28/70/86/627287086.db2.gz UFSQQQHBSJKRDA-AWEZNQCLSA-N 1 2 301.789 3.071 20 10 DGCDLO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cc(F)cc(F)c1O ZINC000812736463 627414169 /nfs/dbraw/zinc/41/41/69/627414169.db2.gz BRKIJDLAQQPABO-JTQLQIEISA-N 1 2 317.339 3.408 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178412 627547531 /nfs/dbraw/zinc/54/75/31/627547531.db2.gz PCWIOJBGPPAYEK-CYBMUJFWSA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000814178412 627547535 /nfs/dbraw/zinc/54/75/35/627547535.db2.gz PCWIOJBGPPAYEK-CYBMUJFWSA-N 1 2 313.800 3.433 20 10 DGCDLO Cc1nc([C@@](C)([NH2+]Cc2ccc(N(C)C)c(C)c2)C2CC2)no1 ZINC000815123511 627631822 /nfs/dbraw/zinc/63/18/22/627631822.db2.gz BELDWRBSUSRFPC-SFHVURJKSA-N 1 2 314.433 3.167 20 10 DGCDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)c(O)c1 ZINC000815657950 627695865 /nfs/dbraw/zinc/69/58/65/627695865.db2.gz NKYKRGYTQVSGKO-CQSZACIVSA-N 1 2 308.385 3.132 20 10 DGCDLO CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817952122 627972433 /nfs/dbraw/zinc/97/24/33/627972433.db2.gz CCLRGEZCEGBZIG-CYBMUJFWSA-N 1 2 303.233 3.492 20 10 DGCDLO NCC(F)(F)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000817968411 627978489 /nfs/dbraw/zinc/97/84/89/627978489.db2.gz RWOIUJYHGPPKAT-MRXNPFEDSA-N 1 2 320.383 3.250 20 10 DGCDLO CC[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000824291783 628647923 /nfs/dbraw/zinc/64/79/23/628647923.db2.gz HLDSLNMSYVTDND-NEPJUHHUSA-N 1 2 314.223 3.202 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000824955785 628710894 /nfs/dbraw/zinc/71/08/94/628710894.db2.gz ZFQMYHTZHNFHJH-GDBMZVCRSA-N 1 2 318.804 3.451 20 10 DGCDLO Cc1cc(O)c(C[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)cc1Cl ZINC000825396787 628757383 /nfs/dbraw/zinc/75/73/83/628757383.db2.gz XTOJUDWWLFYQFR-SNVBAGLBSA-N 1 2 308.813 3.446 20 10 DGCDLO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)F ZINC000834828156 629785340 /nfs/dbraw/zinc/78/53/40/629785340.db2.gz PUZXCIVTKABKLP-SMDDNHRTSA-N 1 2 316.367 3.357 20 10 DGCDLO CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1OC)c1cccc(Cl)c1O ZINC000834880698 629796428 /nfs/dbraw/zinc/79/64/28/629796428.db2.gz OEARSWVGDCYVLJ-BYCMXARLSA-N 1 2 313.825 3.138 20 10 DGCDLO CC[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1cccc(Cl)c1O ZINC000834916440 629808367 /nfs/dbraw/zinc/80/83/67/629808367.db2.gz YTHMCLPTDVPVSS-CQDKDKBSSA-N 1 2 322.836 3.240 20 10 DGCDLO Cc1nc([C@@H]2CCC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)n[nH]1 ZINC000840920253 630379073 /nfs/dbraw/zinc/37/90/73/630379073.db2.gz UNHZHQLBHGUHFK-GFCCVEGCSA-N 1 2 320.824 3.160 20 10 DGCDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3c(O)cc(C)cc3Cl)C2)n[nH]1 ZINC000840920253 630379075 /nfs/dbraw/zinc/37/90/75/630379075.db2.gz UNHZHQLBHGUHFK-GFCCVEGCSA-N 1 2 320.824 3.160 20 10 DGCDLO CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cccc(Cl)c1O ZINC000848574324 631700355 /nfs/dbraw/zinc/70/03/55/631700355.db2.gz RTWRPKBDGUCXDE-SMDDNHRTSA-N 1 2 324.808 3.070 20 10 DGCDLO [NH2+]=C(NCc1cc(Cl)cc(Cl)c1O)NCC1CCC1 ZINC000849028399 631812352 /nfs/dbraw/zinc/81/23/52/631812352.db2.gz JUTQGGMRQWALBW-UHFFFAOYSA-N 1 2 302.205 3.113 20 10 DGCDLO [NH2+]=C(NCc1cc(Cl)cc(Cl)c1O)N1CCCCC1 ZINC000849028429 631812673 /nfs/dbraw/zinc/81/26/73/631812673.db2.gz KHFFZAKLPDSODK-UHFFFAOYSA-N 1 2 302.205 3.209 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]CCCc1ccco1 ZINC000850408076 632143487 /nfs/dbraw/zinc/14/34/87/632143487.db2.gz XNNLBGVSQPQSJG-UHFFFAOYSA-N 1 2 310.191 3.470 20 10 DGCDLO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000850574643 632199246 /nfs/dbraw/zinc/19/92/46/632199246.db2.gz ZXQDAALQVVJWIR-BWACUDIHSA-N 1 2 321.367 3.486 20 10 DGCDLO Cc1ccc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)c(O)c1 ZINC000186251399 660354613 /nfs/dbraw/zinc/35/46/13/660354613.db2.gz GXLSHRWMBBBWEE-AWEZNQCLSA-N 1 2 313.401 3.105 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)CO1 ZINC000792793577 660985076 /nfs/dbraw/zinc/98/50/76/660985076.db2.gz GHQYUBZJEWBFQL-NWDGAFQWSA-N 1 2 316.367 3.381 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H](C)CO1 ZINC000792793577 660985077 /nfs/dbraw/zinc/98/50/77/660985077.db2.gz GHQYUBZJEWBFQL-NWDGAFQWSA-N 1 2 316.367 3.381 20 10 DGCDLO C[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc(F)cc(F)c1O ZINC000793576712 661047150 /nfs/dbraw/zinc/04/71/50/661047150.db2.gz YOWJPVJSXIQYBV-JTQLQIEISA-N 1 2 317.339 3.440 20 10 DGCDLO C[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cc(F)cc(F)c1O ZINC000793576714 661046965 /nfs/dbraw/zinc/04/69/65/661046965.db2.gz YOWJPVJSXIQYBV-SNVBAGLBSA-N 1 2 317.339 3.440 20 10 DGCDLO C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000040592903 655712282 /nfs/dbraw/zinc/71/22/82/655712282.db2.gz CCNNGUHTDXAKQR-JTQLQIEISA-N 1 2 303.233 3.130 20 10 DGCDLO C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000040592903 655712283 /nfs/dbraw/zinc/71/22/83/655712283.db2.gz CCNNGUHTDXAKQR-JTQLQIEISA-N 1 2 303.233 3.130 20 10 DGCDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CS1 ZINC000715768167 661214629 /nfs/dbraw/zinc/21/46/29/661214629.db2.gz CACVMFSXYQUIKQ-OIBJUYFYSA-N 1 2 320.227 3.277 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000305797771 658048164 /nfs/dbraw/zinc/04/81/64/658048164.db2.gz WEKIVZGLBVPPKJ-CYBMUJFWSA-N 1 2 313.731 3.147 20 10 DGCDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000057626104 659020956 /nfs/dbraw/zinc/02/09/56/659020956.db2.gz UKLRSRSSMDRYPO-UHFFFAOYSA-N 1 2 318.461 3.450 20 10 DGCDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000057626104 659020958 /nfs/dbraw/zinc/02/09/58/659020958.db2.gz UKLRSRSSMDRYPO-UHFFFAOYSA-N 1 2 318.461 3.450 20 10 DGCDLO CCC[C@@H](CCO)C[NH2+]Cc1cccc(Br)c1O ZINC000231386867 659380602 /nfs/dbraw/zinc/38/06/02/659380602.db2.gz WXQPCFRUMSYZAZ-NSHDSACASA-N 1 2 316.239 3.043 20 10 DGCDLO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc(C(C)(C)C)no1 ZINC000237606851 659931554 /nfs/dbraw/zinc/93/15/54/659931554.db2.gz HCRVDHDPRZLZPV-LBPRGKRZSA-N 1 2 302.422 3.284 20 10 DGCDLO FC(F)C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000931761726 661506367 /nfs/dbraw/zinc/50/63/67/661506367.db2.gz HZNPPPMLJABJJA-UHFFFAOYSA-N 1 2 310.388 3.143 20 10 DGCDLO FC(F)C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CCC1 ZINC000931761726 661506370 /nfs/dbraw/zinc/50/63/70/661506370.db2.gz HZNPPPMLJABJJA-UHFFFAOYSA-N 1 2 310.388 3.143 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]CC1CC(F)(F)C1 ZINC000383326494 685166249 /nfs/dbraw/zinc/16/62/49/685166249.db2.gz YNBOXBFXMSGPPQ-UHFFFAOYSA-N 1 2 306.150 3.290 20 10 DGCDLO C[C@@H]([NH2+]Cc1cccc(Br)c1O)[C@@H]1CCCOC1 ZINC000388942509 685191190 /nfs/dbraw/zinc/19/11/90/685191190.db2.gz GOROMJCEFTXFTJ-ZYHUDNBSSA-N 1 2 314.223 3.059 20 10 DGCDLO C[C@H]([NH2+]Cc1cccc(Br)c1O)[C@H]1CCCOC1 ZINC000388942505 685191794 /nfs/dbraw/zinc/19/17/94/685191794.db2.gz GOROMJCEFTXFTJ-JQWIXIFHSA-N 1 2 314.223 3.059 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1csnn1 ZINC000398377675 685236133 /nfs/dbraw/zinc/23/61/33/685236133.db2.gz LXSXAOYAEGSIAD-CYBMUJFWSA-N 1 2 302.447 3.379 20 10 DGCDLO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001620788111 1191966707 /nfs/dbraw/zinc/96/67/07/1191966707.db2.gz WXJUSPVNMQEQEY-AWEZNQCLSA-N 1 2 321.783 3.450 20 10 DGCDLO Cc1cc(C)cc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)c1 ZINC001591951091 1192581738 /nfs/dbraw/zinc/58/17/38/1192581738.db2.gz IQSRYUQDXLYXGU-CYBMUJFWSA-N 1 2 323.400 3.040 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]CCCc1nc2ccccc2[nH]1 ZINC001461109571 1182769855 /nfs/dbraw/zinc/76/98/55/1182769855.db2.gz JAXQXZBFMCULMS-UHFFFAOYSA-N 1 2 317.339 3.269 20 10 DGCDLO COc1cccc2c1C[N@H+](Cc1cc(F)cc(F)c1O)CC2 ZINC001462250829 1182929319 /nfs/dbraw/zinc/92/93/19/1182929319.db2.gz VKLHEZDINFNUDH-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1cccc2c1C[N@@H+](Cc1cc(F)cc(F)c1O)CC2 ZINC001462250829 1182929324 /nfs/dbraw/zinc/92/93/24/1182929324.db2.gz VKLHEZDINFNUDH-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO OC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CCCCC1 ZINC001474024427 1183853024 /nfs/dbraw/zinc/85/30/24/1183853024.db2.gz KKBBGKWFPHWIRO-CQSZACIVSA-N 1 2 301.789 3.216 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1nc(-c2ccccc2)no1 ZINC001560739293 1189371220 /nfs/dbraw/zinc/37/12/20/1189371220.db2.gz GDMUTTKQCDVUHI-UHFFFAOYSA-N 1 2 315.760 3.385 20 10 DGCDLO COC(=O)c1cnc(SCc2cn3cc(C)ccc3[nH+]2)s1 ZINC001643951704 1195066779 /nfs/dbraw/zinc/06/67/79/1195066779.db2.gz DSUGVXFLACNAQS-UHFFFAOYSA-N 1 2 319.411 3.178 20 10 DGCDLO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001651326125 1195444231 /nfs/dbraw/zinc/44/42/31/1195444231.db2.gz XIPFGZJFJFJFIE-LBPRGKRZSA-N 1 2 314.832 3.395 20 10 DGCDLO CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001651705781 1195498842 /nfs/dbraw/zinc/49/88/42/1195498842.db2.gz BXUIFSPDBWGAII-LLVKDONJSA-N 1 2 302.821 3.395 20 10 DGCDLO Cc1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(F)c1O)CCO2 ZINC001658073555 1196209536 /nfs/dbraw/zinc/20/95/36/1196209536.db2.gz CUGGWFDUGJMKAY-UHFFFAOYSA-N 1 2 305.324 3.373 20 10 DGCDLO Cc1ccc2c(c1)C[N@H+](Cc1cc(F)cc(F)c1O)CCO2 ZINC001658073555 1196209538 /nfs/dbraw/zinc/20/95/38/1196209538.db2.gz CUGGWFDUGJMKAY-UHFFFAOYSA-N 1 2 305.324 3.373 20 10 DGCDLO COC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1C ZINC001658140392 1196216234 /nfs/dbraw/zinc/21/62/34/1196216234.db2.gz BLGWFYMKXOOWAJ-UHFFFAOYSA-N 1 2 319.788 3.430 20 10 DGCDLO C[C@H](c1ccccc1)[N@H+](CCO)Cc1ccc(F)c(F)c1O ZINC001663880168 1196954015 /nfs/dbraw/zinc/95/40/15/1196954015.db2.gz JIOLYHJLDNSBSB-GFCCVEGCSA-N 1 2 307.340 3.226 20 10 DGCDLO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(F)c(F)c1O ZINC001663880168 1196954019 /nfs/dbraw/zinc/95/40/19/1196954019.db2.gz JIOLYHJLDNSBSB-GFCCVEGCSA-N 1 2 307.340 3.226 20 10 DGCDLO Oc1cccc(Br)c1C[N@H+]1CCc2ncccc2C1 ZINC001140101298 1081840651 /nfs/dbraw/zinc/84/06/51/1081840651.db2.gz QIQBUGAKJLZMBX-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1cc(Cl)cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001140790894 1083048573 /nfs/dbraw/zinc/04/85/73/1083048573.db2.gz QDLWRQYBWWASKT-UHFFFAOYSA-N 1 2 319.788 3.405 20 10 DGCDLO Oc1cc(Cl)cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1 ZINC001140790894 1083048577 /nfs/dbraw/zinc/04/85/77/1083048577.db2.gz QDLWRQYBWWASKT-UHFFFAOYSA-N 1 2 319.788 3.405 20 10 DGCDLO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC001203586888 1084171999 /nfs/dbraw/zinc/17/19/99/1084171999.db2.gz VKLSIJMJWAOWRC-CYBMUJFWSA-N 1 2 315.244 3.368 20 10 DGCDLO C[N@@H+](C1CC1)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC001203586888 1084172006 /nfs/dbraw/zinc/17/20/06/1084172006.db2.gz VKLSIJMJWAOWRC-CYBMUJFWSA-N 1 2 315.244 3.368 20 10 DGCDLO COc1c[nH+]c(NCc2cc(Br)ccc2O)c(C)c1 ZINC001160011520 1088600295 /nfs/dbraw/zinc/60/02/95/1088600295.db2.gz DOHMRWDHAIDCJG-UHFFFAOYSA-N 1 2 323.190 3.479 20 10 DGCDLO CCOC(=O)Cc1ccc[nH+]c1NCc1c(C)cc(C)cc1O ZINC001160808502 1088970782 /nfs/dbraw/zinc/97/07/82/1088970782.db2.gz UMJGMIZFNLDJTL-UHFFFAOYSA-N 1 2 314.385 3.122 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(CN2CCC(F)(F)[C@@H]([NH3+])C2)cc1 ZINC001206654318 1089015084 /nfs/dbraw/zinc/01/50/84/1089015084.db2.gz BLLYSAVDAANZCY-KRWDZBQOSA-N 1 2 319.399 3.262 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)CC[C@@]1(C)O ZINC001237808689 1090326456 /nfs/dbraw/zinc/32/64/56/1090326456.db2.gz VXZUDRFOOJKSOD-ZUZCIYMTSA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)CC[C@@]1(C)O ZINC001237808689 1090326463 /nfs/dbraw/zinc/32/64/63/1090326463.db2.gz VXZUDRFOOJKSOD-ZUZCIYMTSA-N 1 2 301.789 3.168 20 10 DGCDLO Oc1ccccc1CN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001203562357 1090757886 /nfs/dbraw/zinc/75/78/86/1090757886.db2.gz JCHPSXJEUXHMQF-MRXNPFEDSA-N 1 2 310.388 3.088 20 10 DGCDLO Oc1c(C[N@@H+]2CCCC(F)(F)C2)cc2c3c1CCCN3CCC2 ZINC001138338955 1091147065 /nfs/dbraw/zinc/14/70/65/1091147065.db2.gz XOZGLBKVJCCYHO-UHFFFAOYSA-N 1 2 322.399 3.322 20 10 DGCDLO Oc1c(C[N@H+]2CCCC(F)(F)C2)cc2c3c1CCCN3CCC2 ZINC001138338955 1091147069 /nfs/dbraw/zinc/14/70/69/1091147069.db2.gz XOZGLBKVJCCYHO-UHFFFAOYSA-N 1 2 322.399 3.322 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCC(F)(F)CC1 ZINC001139126283 1091456246 /nfs/dbraw/zinc/45/62/46/1091456246.db2.gz DJFJYDYWKRNWPH-UHFFFAOYSA-N 1 2 323.339 3.428 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCC(F)(F)CC1 ZINC001139126283 1091456252 /nfs/dbraw/zinc/45/62/52/1091456252.db2.gz DJFJYDYWKRNWPH-UHFFFAOYSA-N 1 2 323.339 3.428 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](C)CC1 ZINC001139125109 1091456802 /nfs/dbraw/zinc/45/68/02/1091456802.db2.gz MCLDWCXWDILATL-GFCCVEGCSA-N 1 2 301.386 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](C)CC1 ZINC001139125109 1091456804 /nfs/dbraw/zinc/45/68/04/1091456804.db2.gz MCLDWCXWDILATL-GFCCVEGCSA-N 1 2 301.386 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001139129529 1091458742 /nfs/dbraw/zinc/45/87/42/1091458742.db2.gz ALEGHRLJYHKNHQ-RYUDHWBXSA-N 1 2 301.386 3.285 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001139129023 1091458824 /nfs/dbraw/zinc/45/88/24/1091458824.db2.gz LANYKRVXFONVAV-NSHDSACASA-N 1 2 323.339 3.284 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001139129023 1091458829 /nfs/dbraw/zinc/45/88/29/1091458829.db2.gz LANYKRVXFONVAV-NSHDSACASA-N 1 2 323.339 3.284 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H]1C(C)C ZINC001139133195 1091461539 /nfs/dbraw/zinc/46/15/39/1091461539.db2.gz DSBPYWPJTYNALS-OAHLLOKOSA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H]1C(C)C ZINC001139133195 1091461543 /nfs/dbraw/zinc/46/15/43/1091461543.db2.gz DSBPYWPJTYNALS-OAHLLOKOSA-N 1 2 301.386 3.427 20 10 DGCDLO CC1CCC([NH+]2CCN(Cc3c(F)ccc(F)c3O)CC2)CC1 ZINC001139683804 1091641098 /nfs/dbraw/zinc/64/10/98/1091641098.db2.gz MEAAKGNQXGUAAV-UHFFFAOYSA-N 1 2 324.415 3.367 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1ccncc1Cl)CCC2 ZINC001139849313 1091691056 /nfs/dbraw/zinc/69/10/56/1091691056.db2.gz GYNCIFPGLXBPHH-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1ccncc1Cl)CCC2 ZINC001139849313 1091691060 /nfs/dbraw/zinc/69/10/60/1091691060.db2.gz GYNCIFPGLXBPHH-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1cccc(Cl)c1C[N@@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001140342485 1091836017 /nfs/dbraw/zinc/83/60/17/1091836017.db2.gz LLLCNVHMQJEBHX-UHFFFAOYSA-N 1 2 315.804 3.271 20 10 DGCDLO Oc1cccc(Cl)c1C[N@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001140342485 1091836019 /nfs/dbraw/zinc/83/60/19/1091836019.db2.gz LLLCNVHMQJEBHX-UHFFFAOYSA-N 1 2 315.804 3.271 20 10 DGCDLO Oc1cc(Cl)ccc1C[N@@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001140468800 1091878941 /nfs/dbraw/zinc/87/89/41/1091878941.db2.gz YDTRZJVIOQCTNM-UHFFFAOYSA-N 1 2 315.804 3.271 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001140583690 1091919615 /nfs/dbraw/zinc/91/96/15/1091919615.db2.gz QVOSVTJWKZTTIX-GFCCVEGCSA-N 1 2 304.340 3.445 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001140583690 1091919618 /nfs/dbraw/zinc/91/96/18/1091919618.db2.gz QVOSVTJWKZTTIX-GFCCVEGCSA-N 1 2 304.340 3.445 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001140583691 1091920330 /nfs/dbraw/zinc/92/03/30/1091920330.db2.gz QVOSVTJWKZTTIX-LBPRGKRZSA-N 1 2 304.340 3.445 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001140583691 1091920337 /nfs/dbraw/zinc/92/03/37/1091920337.db2.gz QVOSVTJWKZTTIX-LBPRGKRZSA-N 1 2 304.340 3.445 20 10 DGCDLO Cc1ccc(O[C@H]2CC[N@H+](Cc3c(O)cc(F)cc3F)C2)nc1 ZINC001140585498 1091921933 /nfs/dbraw/zinc/92/19/33/1091921933.db2.gz KMZSHUGDUOLRFP-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)nc1 ZINC001140585498 1091921934 /nfs/dbraw/zinc/92/19/34/1091921934.db2.gz KMZSHUGDUOLRFP-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCc3ccncc3C2)c(Cl)c1 ZINC001140925191 1092064276 /nfs/dbraw/zinc/06/42/76/1092064276.db2.gz PEGNDZNLCBJADV-UHFFFAOYSA-N 1 2 301.821 3.359 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCc3ccncc3C2)c(Cl)c1 ZINC001140925191 1092064284 /nfs/dbraw/zinc/06/42/84/1092064284.db2.gz PEGNDZNLCBJADV-UHFFFAOYSA-N 1 2 301.821 3.359 20 10 DGCDLO C[N@H+]1CCN(Cc2cc(F)c(F)cc2O)[C@H](c2ccccc2)C1 ZINC001142502074 1092489746 /nfs/dbraw/zinc/48/97/46/1092489746.db2.gz IDEKITKQKJBKTQ-KRWDZBQOSA-N 1 2 318.367 3.159 20 10 DGCDLO COc1c[nH+]ccc1-n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001211260256 1093435440 /nfs/dbraw/zinc/43/54/40/1093435440.db2.gz NGBCEKQUHRVERW-QNUODCBWSA-N 1 2 320.356 3.358 20 10 DGCDLO COc1ccc(N2CCN(c3cc(F)cc(C)[nH+]3)CC2)cc1F ZINC001120906166 1094551276 /nfs/dbraw/zinc/55/12/76/1094551276.db2.gz CKWYBCRIZBGAOG-UHFFFAOYSA-N 1 2 319.355 3.003 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[NH+]1CCC(CF)CC1 ZINC001144299715 1095592896 /nfs/dbraw/zinc/59/28/96/1095592896.db2.gz HEKQAQUHTPQSQR-UHFFFAOYSA-N 1 2 320.177 3.475 20 10 DGCDLO Cc1cc(C[N@@H+]2CCn3cncc3C2)c(C)n1-c1ccccc1 ZINC001137859310 1095769043 /nfs/dbraw/zinc/76/90/43/1095769043.db2.gz SNUHFVQUQGJQJW-UHFFFAOYSA-N 1 2 306.413 3.306 20 10 DGCDLO Cc1cc(C[N@H+]2CCn3cncc3C2)c(C)n1-c1ccccc1 ZINC001137859310 1095769051 /nfs/dbraw/zinc/76/90/51/1095769051.db2.gz SNUHFVQUQGJQJW-UHFFFAOYSA-N 1 2 306.413 3.306 20 10 DGCDLO Cc1cc(C[N@@H+]2CCn3nccc3C2)c(C)n1-c1ccccc1 ZINC001137859083 1095769694 /nfs/dbraw/zinc/76/96/94/1095769694.db2.gz IBCNFKLGRKSPRG-UHFFFAOYSA-N 1 2 306.413 3.306 20 10 DGCDLO Cc1cc(C[N@H+]2CCn3nccc3C2)c(C)n1-c1ccccc1 ZINC001137859083 1095769706 /nfs/dbraw/zinc/76/97/06/1095769706.db2.gz IBCNFKLGRKSPRG-UHFFFAOYSA-N 1 2 306.413 3.306 20 10 DGCDLO CN(CC[N@H+](C)Cc1ccccc1)Cc1cccc(F)c1O ZINC001138130913 1095897411 /nfs/dbraw/zinc/89/74/11/1095897411.db2.gz LDAYPNFDEGMGMJ-UHFFFAOYSA-N 1 2 302.393 3.095 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]C1CC2(CC2(F)F)C1 ZINC001118629531 1096049887 /nfs/dbraw/zinc/04/98/87/1096049887.db2.gz UPGZEPJKPFNEHG-UHFFFAOYSA-N 1 2 318.161 3.432 20 10 DGCDLO Cc1cc(CNC(=O)[C@H](C)n2cc[nH+]c2)c(C)n1-c1ccccc1 ZINC001118953067 1096110301 /nfs/dbraw/zinc/11/03/01/1096110301.db2.gz MGFARNDUTCYCQG-INIZCTEOSA-N 1 2 322.412 3.168 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1ccnc(C(F)F)c1)CCC2 ZINC001231891995 1097881747 /nfs/dbraw/zinc/88/17/47/1097881747.db2.gz OKDIMWHWECCLNU-UHFFFAOYSA-N 1 2 320.339 3.379 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1ccnc(C(F)F)c1)CCC2 ZINC001231891995 1097881751 /nfs/dbraw/zinc/88/17/51/1097881751.db2.gz OKDIMWHWECCLNU-UHFFFAOYSA-N 1 2 320.339 3.379 20 10 DGCDLO Oc1cc(O)c(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)cc1Cl ZINC001232259532 1097985193 /nfs/dbraw/zinc/98/51/93/1097985193.db2.gz KLANRKMRQIQQMJ-GFCCVEGCSA-N 1 2 309.715 3.320 20 10 DGCDLO Oc1cc(O)c(C[N@H+]2CCCC(F)(F)[C@H](F)C2)cc1Cl ZINC001232259532 1097985200 /nfs/dbraw/zinc/98/52/00/1097985200.db2.gz KLANRKMRQIQQMJ-GFCCVEGCSA-N 1 2 309.715 3.320 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCc3ccncc3C2)cc1Cl ZINC001232269897 1097989037 /nfs/dbraw/zinc/98/90/37/1097989037.db2.gz MLUQZDBBAATYCW-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCc3ccncc3C2)cc1Cl ZINC001232269897 1097989040 /nfs/dbraw/zinc/98/90/40/1097989040.db2.gz MLUQZDBBAATYCW-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO Oc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2F)cc(O)c1O ZINC001233013383 1098203855 /nfs/dbraw/zinc/20/38/55/1098203855.db2.gz QAHABYKECYBKIX-AWEZNQCLSA-N 1 2 303.333 3.280 20 10 DGCDLO Oc1cc(C[N@H+]2CCC[C@H]2c2ccccc2F)cc(O)c1O ZINC001233013383 1098203860 /nfs/dbraw/zinc/20/38/60/1098203860.db2.gz QAHABYKECYBKIX-AWEZNQCLSA-N 1 2 303.333 3.280 20 10 DGCDLO Oc1c(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)ccc(F)c1F ZINC001233074311 1098219910 /nfs/dbraw/zinc/21/99/10/1098219910.db2.gz MKCOXTUZJDWGDY-RKDXNWHRSA-N 1 2 313.241 3.250 20 10 DGCDLO Oc1c(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)ccc(F)c1F ZINC001233074311 1098219916 /nfs/dbraw/zinc/21/99/16/1098219916.db2.gz MKCOXTUZJDWGDY-RKDXNWHRSA-N 1 2 313.241 3.250 20 10 DGCDLO C[N@@H+](Cc1ccc(F)c(F)c1O)C[C@H]1Cc2ccccc2O1 ZINC001233080679 1098220769 /nfs/dbraw/zinc/22/07/69/1098220769.db2.gz ZYAHRRGIZVASJA-CYBMUJFWSA-N 1 2 305.324 3.106 20 10 DGCDLO C[N@H+](Cc1ccc(F)c(F)c1O)C[C@H]1Cc2ccccc2O1 ZINC001233080679 1098220775 /nfs/dbraw/zinc/22/07/75/1098220775.db2.gz ZYAHRRGIZVASJA-CYBMUJFWSA-N 1 2 305.324 3.106 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001233332480 1098290404 /nfs/dbraw/zinc/29/04/04/1098290404.db2.gz MJUMHEGIOCHUKJ-VXNVDRBHSA-N 1 2 313.241 3.250 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2c(O)ccc(F)c2F)cc1OC ZINC001233334652 1098292937 /nfs/dbraw/zinc/29/29/37/1098292937.db2.gz OVDYXPZFFDLIIX-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2c(O)ccc(F)c2F)cc1OC ZINC001233334652 1098292940 /nfs/dbraw/zinc/29/29/40/1098292940.db2.gz OVDYXPZFFDLIIX-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1O)CC1CCOCC1 ZINC001233416136 1098321795 /nfs/dbraw/zinc/32/17/95/1098321795.db2.gz XFZPBABVUUYIJQ-UHFFFAOYSA-N 1 2 303.324 3.269 20 10 DGCDLO C[N@H+](Cc1cccc(C(F)(F)F)c1O)CC1CCOCC1 ZINC001233416136 1098321799 /nfs/dbraw/zinc/32/17/99/1098321799.db2.gz XFZPBABVUUYIJQ-UHFFFAOYSA-N 1 2 303.324 3.269 20 10 DGCDLO Oc1cc(O)c(C[N@@H+]2CCc3c4ccccc4oc3C2)cc1O ZINC001233486277 1098347276 /nfs/dbraw/zinc/34/72/76/1098347276.db2.gz GKXSOOJDZXXWKW-UHFFFAOYSA-N 1 2 311.337 3.108 20 10 DGCDLO Oc1cc(O)c(C[N@H+]2CCc3c4ccccc4oc3C2)cc1O ZINC001233486277 1098347281 /nfs/dbraw/zinc/34/72/81/1098347281.db2.gz GKXSOOJDZXXWKW-UHFFFAOYSA-N 1 2 311.337 3.108 20 10 DGCDLO Oc1c(C[N@@H+]2Cc3cccnc3C2)cccc1OC(F)(F)F ZINC001233726705 1098416497 /nfs/dbraw/zinc/41/64/97/1098416497.db2.gz GMJGJPFYPYLLEV-UHFFFAOYSA-N 1 2 310.275 3.202 20 10 DGCDLO Oc1c(C[N@H+]2Cc3cccnc3C2)cccc1OC(F)(F)F ZINC001233726705 1098416501 /nfs/dbraw/zinc/41/65/01/1098416501.db2.gz GMJGJPFYPYLLEV-UHFFFAOYSA-N 1 2 310.275 3.202 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC001177166673 1098480521 /nfs/dbraw/zinc/48/05/21/1098480521.db2.gz RVSQTIYQCKKYJU-LBPRGKRZSA-N 1 2 323.751 3.114 20 10 DGCDLO CC(C)(C)c1ccc(C[NH+]2CC3(C2)CC(F)(F)CO3)c(O)c1 ZINC001235681105 1099124025 /nfs/dbraw/zinc/12/40/25/1099124025.db2.gz YESRNKVJNCLBQG-UHFFFAOYSA-N 1 2 311.372 3.300 20 10 DGCDLO CCC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[NH2+]1 ZINC001236177081 1099447876 /nfs/dbraw/zinc/44/78/76/1099447876.db2.gz ZVYDGZMGOKFAGW-LBPRGKRZSA-N 1 2 303.233 3.273 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001203663682 1099539437 /nfs/dbraw/zinc/53/94/37/1099539437.db2.gz DBZISAZNOGKYDM-MRXNPFEDSA-N 1 2 304.777 3.014 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001203663682 1099539450 /nfs/dbraw/zinc/53/94/50/1099539450.db2.gz DBZISAZNOGKYDM-MRXNPFEDSA-N 1 2 304.777 3.014 20 10 DGCDLO Oc1cc(F)cc(F)c1CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236655056 1099726861 /nfs/dbraw/zinc/72/68/61/1099726861.db2.gz YZPRNFVVNDLWFS-AWEZNQCLSA-N 1 2 310.388 3.167 20 10 DGCDLO [O-]c1cc(F)cc(F)c1C[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236655056 1099726866 /nfs/dbraw/zinc/72/68/66/1099726866.db2.gz YZPRNFVVNDLWFS-AWEZNQCLSA-N 1 2 310.388 3.167 20 10 DGCDLO [O-]c1cc(F)cc(F)c1C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236655056 1099726873 /nfs/dbraw/zinc/72/68/73/1099726873.db2.gz YZPRNFVVNDLWFS-AWEZNQCLSA-N 1 2 310.388 3.167 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](F)C[C@H]2C)c1 ZINC001236662408 1099729558 /nfs/dbraw/zinc/72/95/58/1099729558.db2.gz DQFUMPRMAXQHKI-MWLCHTKSSA-N 1 2 302.187 3.395 20 10 DGCDLO Cc1ncc(C[N@@H+](C)Cc2cc(Cl)c(Cl)cc2O)cn1 ZINC001236799847 1099793292 /nfs/dbraw/zinc/79/32/92/1099793292.db2.gz QREYDFUPMAUHCO-UHFFFAOYSA-N 1 2 312.200 3.429 20 10 DGCDLO Cc1ncc(C[N@H+](C)Cc2cc(Cl)c(Cl)cc2O)cn1 ZINC001236799847 1099793296 /nfs/dbraw/zinc/79/32/96/1099793296.db2.gz QREYDFUPMAUHCO-UHFFFAOYSA-N 1 2 312.200 3.429 20 10 DGCDLO COc1ccc(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c(O)c1Cl ZINC001236802536 1099798054 /nfs/dbraw/zinc/79/80/54/1099798054.db2.gz SDGVVYPIEQRYNM-BDJLRTHQSA-N 1 2 313.825 3.037 20 10 DGCDLO COc1ccc(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)c(O)c1Cl ZINC001236802536 1099798062 /nfs/dbraw/zinc/79/80/62/1099798062.db2.gz SDGVVYPIEQRYNM-BDJLRTHQSA-N 1 2 313.825 3.037 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCc3cccnc3C2)c(Cl)c1 ZINC001236809252 1099799127 /nfs/dbraw/zinc/79/91/27/1099799127.db2.gz UHGSCKWENMNMJM-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCc3cccnc3C2)c(Cl)c1 ZINC001236809252 1099799134 /nfs/dbraw/zinc/79/91/34/1099799134.db2.gz UHGSCKWENMNMJM-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO Oc1cc2ccccc2cc1C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001236834311 1099820358 /nfs/dbraw/zinc/82/03/58/1099820358.db2.gz WCNAVEOZERNENI-OAHLLOKOSA-N 1 2 311.303 3.309 20 10 DGCDLO Oc1cc2ccccc2cc1C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC001236834311 1099820365 /nfs/dbraw/zinc/82/03/65/1099820365.db2.gz WCNAVEOZERNENI-OAHLLOKOSA-N 1 2 311.303 3.309 20 10 DGCDLO CC1(C)C[N@H+](Cc2cc(C(F)(F)F)ccc2O)CCC1=O ZINC001237139429 1099990922 /nfs/dbraw/zinc/99/09/22/1099990922.db2.gz FFUCNYRJTHFTSF-UHFFFAOYSA-N 1 2 301.308 3.212 20 10 DGCDLO CC1(C)C[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CCC1=O ZINC001237139429 1099990929 /nfs/dbraw/zinc/99/09/29/1099990929.db2.gz FFUCNYRJTHFTSF-UHFFFAOYSA-N 1 2 301.308 3.212 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237806263 1100253355 /nfs/dbraw/zinc/25/33/55/1100253355.db2.gz SGXMWXSFIVYGKK-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237806263 1100253357 /nfs/dbraw/zinc/25/33/57/1100253357.db2.gz SGXMWXSFIVYGKK-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Cc1cc(F)cc(C[N@@H+]2CCc3ncc(Cl)cc3C2)c1O ZINC001238068228 1100348944 /nfs/dbraw/zinc/34/89/44/1100348944.db2.gz VCBYXAMSMJSDSS-UHFFFAOYSA-N 1 2 306.768 3.446 20 10 DGCDLO Cc1cc(F)cc(C[N@H+]2CCc3ncc(Cl)cc3C2)c1O ZINC001238068228 1100348953 /nfs/dbraw/zinc/34/89/53/1100348953.db2.gz VCBYXAMSMJSDSS-UHFFFAOYSA-N 1 2 306.768 3.446 20 10 DGCDLO Cc1cc(-c2nc3ccccc3n2C)c(C2=C[NH2+]CCC2)nn1 ZINC001243948729 1103077659 /nfs/dbraw/zinc/07/76/59/1103077659.db2.gz KXTOPJWFKWVKGT-UHFFFAOYSA-N 1 2 305.385 3.063 20 10 DGCDLO CCOC(=O)C[N@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248881340 1105185923 /nfs/dbraw/zinc/18/59/23/1105185923.db2.gz WLCNGSNMJVMPFT-UHFFFAOYSA-N 1 2 313.825 3.338 20 10 DGCDLO CCOC(=O)C[N@@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248881340 1105185925 /nfs/dbraw/zinc/18/59/25/1105185925.db2.gz WLCNGSNMJVMPFT-UHFFFAOYSA-N 1 2 313.825 3.338 20 10 DGCDLO COC(=O)C1(C[NH2+]Cc2cccc(Cl)c2O)CCCCC1 ZINC001308686090 1111460446 /nfs/dbraw/zinc/46/04/46/1111460446.db2.gz YGVLOMNXDMBNTC-UHFFFAOYSA-N 1 2 311.809 3.259 20 10 DGCDLO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(Cl)c(Cl)c1O ZINC000185194535 296121386 /nfs/dbraw/zinc/12/13/86/296121386.db2.gz MDGWJCMMZZYTDQ-SECBINFHSA-N 1 2 319.232 3.218 20 10 DGCDLO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H]2c2ccc(C)o2)c1 ZINC000093460044 193254936 /nfs/dbraw/zinc/25/49/36/193254936.db2.gz DRPLYWZTWPHBJV-INIZCTEOSA-N 1 2 317.385 3.266 20 10 DGCDLO CCOc1ccc(O)c(C[N@H+]2CCOC[C@H]2c2ccc(C)o2)c1 ZINC000093460044 193254938 /nfs/dbraw/zinc/25/49/38/193254938.db2.gz DRPLYWZTWPHBJV-INIZCTEOSA-N 1 2 317.385 3.266 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCn3c(C(C)C)nnc3[C@H]2C)cc1C ZINC000190227150 432133511 /nfs/dbraw/zinc/13/35/11/432133511.db2.gz QRZAZSGGHHBTAP-CQSZACIVSA-N 1 2 314.433 3.301 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCn3c(C(C)C)nnc3[C@H]2C)cc1C ZINC000190227150 432133515 /nfs/dbraw/zinc/13/35/15/432133515.db2.gz QRZAZSGGHHBTAP-CQSZACIVSA-N 1 2 314.433 3.301 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCn3c(C(C)C)nnc3[C@@H]2C)cc1C ZINC000190227132 432133934 /nfs/dbraw/zinc/13/39/34/432133934.db2.gz QRZAZSGGHHBTAP-AWEZNQCLSA-N 1 2 314.433 3.301 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCn3c(C(C)C)nnc3[C@@H]2C)cc1C ZINC000190227132 432133936 /nfs/dbraw/zinc/13/39/36/432133936.db2.gz QRZAZSGGHHBTAP-AWEZNQCLSA-N 1 2 314.433 3.301 20 10 DGCDLO CCO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000042423872 183268448 /nfs/dbraw/zinc/26/84/48/183268448.db2.gz AYCITAFVOIDFKU-AWEZNQCLSA-N 1 2 311.809 3.249 20 10 DGCDLO CCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000042423872 183268449 /nfs/dbraw/zinc/26/84/49/183268449.db2.gz AYCITAFVOIDFKU-AWEZNQCLSA-N 1 2 311.809 3.249 20 10 DGCDLO C[C@H]([NH2+]Cc1nccn1C)c1ccc(Cl)c(Cl)c1O ZINC000273577876 130139855 /nfs/dbraw/zinc/13/98/55/130139855.db2.gz MBKCIQGEDYOVHM-QMMMGPOBSA-N 1 2 300.189 3.283 20 10 DGCDLO Cc1nc(C)c(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000273611050 130144417 /nfs/dbraw/zinc/14/44/17/130144417.db2.gz VWCGMDUPOCSVQY-QMMMGPOBSA-N 1 2 307.375 3.225 20 10 DGCDLO CCOC(CC[NH2+][C@H](C)c1ccc(F)c(F)c1O)OCC ZINC000276109686 285987144 /nfs/dbraw/zinc/98/71/44/285987144.db2.gz AMJDSLQOAAAFNW-SNVBAGLBSA-N 1 2 303.349 3.110 20 10 DGCDLO CC[C@@H]([NH2+]CC(=O)N(C)CC)c1cc(Cl)cc(Cl)c1O ZINC000287685905 286902252 /nfs/dbraw/zinc/90/22/52/286902252.db2.gz MXAAQIWFNMHYIG-GFCCVEGCSA-N 1 2 319.232 3.218 20 10 DGCDLO Oc1ccccc1C[N@@H+](Cc1nccs1)C[C@H]1CCCO1 ZINC000269735708 432204605 /nfs/dbraw/zinc/20/46/05/432204605.db2.gz ZQVZTIQJOPQATO-CQSZACIVSA-N 1 2 304.415 3.030 20 10 DGCDLO Oc1ccccc1C[N@H+](Cc1nccs1)C[C@H]1CCCO1 ZINC000269735708 432204608 /nfs/dbraw/zinc/20/46/08/432204608.db2.gz ZQVZTIQJOPQATO-CQSZACIVSA-N 1 2 304.415 3.030 20 10 DGCDLO CC[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Cl)cc(Cl)c1O ZINC000287792455 288036315 /nfs/dbraw/zinc/03/63/15/288036315.db2.gz SVPAMVLCXGYHKU-NSHDSACASA-N 1 2 319.232 3.251 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1cccc(Cl)c1O ZINC000286894180 288072131 /nfs/dbraw/zinc/07/21/31/288072131.db2.gz DEWOUEMGUXMJDM-WDMOLILDSA-N 1 2 311.809 3.428 20 10 DGCDLO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000184869597 432441612 /nfs/dbraw/zinc/44/16/12/432441612.db2.gz MPOSKZIAHQPYFR-VIFPVBQESA-N 1 2 319.232 3.122 20 10 DGCDLO COc1cccc(C[NH2+]C2(c3noc(C)n3)CCCCC2)c1O ZINC000263682288 432565111 /nfs/dbraw/zinc/56/51/11/432565111.db2.gz MZJQEFPTRFMRGX-UHFFFAOYSA-N 1 2 317.389 3.041 20 10 DGCDLO COC[C@@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O)OC ZINC000273455818 432600270 /nfs/dbraw/zinc/60/02/70/432600270.db2.gz PLUFLNBCGVPDSK-RKDXNWHRSA-N 1 2 308.205 3.011 20 10 DGCDLO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1ccc(F)c(F)c1O ZINC000187730380 432679472 /nfs/dbraw/zinc/67/94/72/432679472.db2.gz UVGPZCGVVMTWKU-VFZGTOFNSA-N 1 2 313.369 3.290 20 10 DGCDLO CSC1(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)CCOCC1 ZINC000187789853 432684409 /nfs/dbraw/zinc/68/44/09/432684409.db2.gz JZWWCBKHACGQMD-SNVBAGLBSA-N 1 2 317.401 3.233 20 10 DGCDLO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1O ZINC000276901124 432826610 /nfs/dbraw/zinc/82/66/10/432826610.db2.gz JBMBRIBERQDIAX-OTYXRUKQSA-N 1 2 311.303 3.194 20 10 DGCDLO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1O ZINC000276997217 432827431 /nfs/dbraw/zinc/82/74/31/432827431.db2.gz YRAWUODMFQJFGU-ZANVPECISA-N 1 2 307.344 3.132 20 10 DGCDLO CC[C@H]([NH2+]Cc1csc(COC)n1)c1ccc(F)cc1O ZINC000289901895 432978767 /nfs/dbraw/zinc/97/87/67/432978767.db2.gz TYIVYGYMKLJCCO-ZDUSSCGKSA-N 1 2 310.394 3.375 20 10 DGCDLO CCOCc1nc([C@H](C)[NH2+][C@H](CC)c2ccc(C)cc2O)no1 ZINC000290183159 433008419 /nfs/dbraw/zinc/00/84/19/433008419.db2.gz NSGXJGGFGNQJBD-GXTWGEPZSA-N 1 2 319.405 3.422 20 10 DGCDLO COc1ccc(C[NH2+][C@H](C)c2noc(COC(C)C)n2)cc1C ZINC000290838459 433184885 /nfs/dbraw/zinc/18/48/85/433184885.db2.gz ICEYVHUEIAWLLQ-CYBMUJFWSA-N 1 2 319.405 3.162 20 10 DGCDLO OC[C@@]1(C[NH2+]Cc2cccc(Cl)c2O)C[C@@H]1c1ccccc1 ZINC000291692080 433317432 /nfs/dbraw/zinc/31/74/32/433317432.db2.gz YFFMVJNLVLWSHH-QAPCUYQASA-N 1 2 317.816 3.301 20 10 DGCDLO CCOCCC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293550545 433779553 /nfs/dbraw/zinc/77/95/53/433779553.db2.gz GZTPJCBIVUCIBQ-UHFFFAOYSA-N 1 2 301.789 3.481 20 10 DGCDLO CC[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc(Cl)c1O ZINC000376861890 433833540 /nfs/dbraw/zinc/83/35/40/433833540.db2.gz VKPWYYGIFNNLNK-SMDDNHRTSA-N 1 2 305.809 3.367 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nccn1C(F)F ZINC000294258929 434062162 /nfs/dbraw/zinc/06/21/62/434062162.db2.gz NUOPKOSRAVADDC-UHFFFAOYSA-N 1 2 305.687 3.066 20 10 DGCDLO CCc1nn(C)cc1NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000378477528 434197774 /nfs/dbraw/zinc/19/77/74/434197774.db2.gz VKJFNTWKNWAZNV-UHFFFAOYSA-N 1 2 314.433 3.072 20 10 DGCDLO Cn1nccc1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000368591826 434577913 /nfs/dbraw/zinc/57/79/13/434577913.db2.gz NACZGARUVJILCT-LBPRGKRZSA-N 1 2 305.809 3.159 20 10 DGCDLO Cn1nccc1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000368591826 434577918 /nfs/dbraw/zinc/57/79/18/434577918.db2.gz NACZGARUVJILCT-LBPRGKRZSA-N 1 2 305.809 3.159 20 10 DGCDLO C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])Cn1cc[nH+]c1 ZINC000237355897 524740672 /nfs/dbraw/zinc/74/06/72/524740672.db2.gz DKAKBZKBGUAUEN-JTQLQIEISA-N 1 2 314.216 3.321 20 10 DGCDLO OCC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000189932889 527569646 /nfs/dbraw/zinc/56/96/46/527569646.db2.gz SHGIKIZEQRPOHV-RNCFNFMXSA-N 1 2 304.217 3.340 20 10 DGCDLO COCCc1cc[nH+]c(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000287488726 536832880 /nfs/dbraw/zinc/83/28/80/536832880.db2.gz NDYXWYJFYQCGNK-NSHDSACASA-N 1 2 317.345 3.057 20 10 DGCDLO CCc1cc(NCc2ccc(N3CCSCC3)cc2)nc[nH+]1 ZINC000733186683 574605439 /nfs/dbraw/zinc/60/54/39/574605439.db2.gz DEGSUODUDFGSTR-UHFFFAOYSA-N 1 2 314.458 3.204 20 10 DGCDLO Cc1noc([C@H](C)[NH2+]Cc2cc(Cl)cc(Cl)c2O)n1 ZINC000729684379 575260559 /nfs/dbraw/zinc/26/05/59/575260559.db2.gz NOELVEFAZDZPSN-LURJTMIESA-N 1 2 302.161 3.241 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C(=O)NCc2[nH]c[nH+]c2C)cc1 ZINC000748000180 575555985 /nfs/dbraw/zinc/55/59/85/575555985.db2.gz PKJYWLOBBGUJOZ-UHFFFAOYSA-N 1 2 308.385 3.056 20 10 DGCDLO COc1ccc(N(C)Cc2cn3cccc(C)c3[nH+]2)c(OC)c1 ZINC000752108500 575823541 /nfs/dbraw/zinc/82/35/41/575823541.db2.gz APZDHIDXUKKTGD-UHFFFAOYSA-N 1 2 311.385 3.296 20 10 DGCDLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)o1 ZINC000725847307 575929202 /nfs/dbraw/zinc/92/92/02/575929202.db2.gz ZQHVJGXOARJMGG-HZMBPMFUSA-N 1 2 302.330 3.307 20 10 DGCDLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000852741119 620644504 /nfs/dbraw/zinc/64/45/04/620644504.db2.gz FPWMMPDSKIOZMH-SWLSCSKDSA-N 1 2 316.367 3.294 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000852741119 620644506 /nfs/dbraw/zinc/64/45/06/620644506.db2.gz FPWMMPDSKIOZMH-SWLSCSKDSA-N 1 2 316.367 3.294 20 10 DGCDLO COc1ccc(CNc2ccc([NH+](C)C)cc2)c(O)c1OC ZINC000892312748 618017323 /nfs/dbraw/zinc/01/73/23/618017323.db2.gz GZYXGAATQSSMJP-UHFFFAOYSA-N 1 2 302.374 3.088 20 10 DGCDLO CC(C)c1ncc(C[N@H+](C)Cc2cc(F)cc(F)c2O)cn1 ZINC000894660384 618418921 /nfs/dbraw/zinc/41/89/21/618418921.db2.gz NMGPSGNVPYZQSK-UHFFFAOYSA-N 1 2 307.344 3.216 20 10 DGCDLO CC(C)c1ncc(C[N@@H+](C)Cc2cc(F)cc(F)c2O)cn1 ZINC000894660384 618418924 /nfs/dbraw/zinc/41/89/24/618418924.db2.gz NMGPSGNVPYZQSK-UHFFFAOYSA-N 1 2 307.344 3.216 20 10 DGCDLO CC[C@H](CO)[N@@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000894871450 618484332 /nfs/dbraw/zinc/48/43/32/618484332.db2.gz UVTCVSUEOBLGAI-SNVBAGLBSA-N 1 2 322.630 3.011 20 10 DGCDLO CC[C@H](CO)[N@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000894871450 618484329 /nfs/dbraw/zinc/48/43/29/618484329.db2.gz UVTCVSUEOBLGAI-SNVBAGLBSA-N 1 2 322.630 3.011 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)C[C@@H](C)[S@@]1=O ZINC000840948244 618620964 /nfs/dbraw/zinc/62/09/64/618620964.db2.gz NKFWKVFMQUHATD-HTGLOVNISA-N 1 2 315.866 3.085 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000894092807 618708319 /nfs/dbraw/zinc/70/83/19/618708319.db2.gz BYQSZQFJSDSPRI-YVEFUNNKSA-N 1 2 322.399 3.119 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000894092807 618708320 /nfs/dbraw/zinc/70/83/20/618708320.db2.gz BYQSZQFJSDSPRI-YVEFUNNKSA-N 1 2 322.399 3.119 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000894092807 618708323 /nfs/dbraw/zinc/70/83/23/618708323.db2.gz BYQSZQFJSDSPRI-YVEFUNNKSA-N 1 2 322.399 3.119 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000894092807 618708324 /nfs/dbraw/zinc/70/83/24/618708324.db2.gz BYQSZQFJSDSPRI-YVEFUNNKSA-N 1 2 322.399 3.119 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCCN1CC(F)(F)F ZINC000896841420 618967434 /nfs/dbraw/zinc/96/74/34/618967434.db2.gz YRHYAPABOGDSOK-LLVKDONJSA-N 1 2 322.758 3.162 20 10 DGCDLO OCC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CCCC1 ZINC000897885316 619191505 /nfs/dbraw/zinc/19/15/05/619191505.db2.gz GLRMNNVGLBJFNM-CQSZACIVSA-N 1 2 301.789 3.216 20 10 DGCDLO COCCOc1ccccc1C[NH2+]Cc1cccc(Cl)c1O ZINC000898218507 619222467 /nfs/dbraw/zinc/22/24/67/619222467.db2.gz IQWSTRPQOPBUEB-UHFFFAOYSA-N 1 2 321.804 3.361 20 10 DGCDLO C[C@H](NCc1cc(N(C)C)cc[nH+]1)c1cc(Cl)ccc1O ZINC000903199086 619734932 /nfs/dbraw/zinc/73/49/32/619734932.db2.gz SVZPOVNEODYEKT-NSHDSACASA-N 1 2 305.809 3.357 20 10 DGCDLO C[C@@H](NCc1cc(N(C)C)cc[nH+]1)c1cc(Cl)ccc1O ZINC000903199085 619735050 /nfs/dbraw/zinc/73/50/50/619735050.db2.gz SVZPOVNEODYEKT-LLVKDONJSA-N 1 2 305.809 3.357 20 10 DGCDLO COc1ccc(N2CC[NH+](Cc3cncc(Cl)c3)CC2)cc1 ZINC000856716978 621009823 /nfs/dbraw/zinc/00/98/23/621009823.db2.gz BODHMSGKDTUWKD-UHFFFAOYSA-N 1 2 317.820 3.066 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cccc(Cl)c1O ZINC000858602855 621208913 /nfs/dbraw/zinc/20/89/13/621208913.db2.gz KFHLDLCKZWWOCD-LSDHHAIUSA-N 1 2 322.836 3.240 20 10 DGCDLO C[C@@H](C[N@H+](C)Cc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC000839192538 621347460 /nfs/dbraw/zinc/34/74/60/621347460.db2.gz KAMFJSMJOOAKNZ-NSHDSACASA-N 1 2 313.825 3.455 20 10 DGCDLO C[C@@H](C[N@@H+](C)Cc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC000839192538 621347463 /nfs/dbraw/zinc/34/74/63/621347463.db2.gz KAMFJSMJOOAKNZ-NSHDSACASA-N 1 2 313.825 3.455 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000753574058 621450072 /nfs/dbraw/zinc/45/00/72/621450072.db2.gz APYKVVSGGNRARY-LBPRGKRZSA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000862435957 621589114 /nfs/dbraw/zinc/58/91/14/621589114.db2.gz RCLJYTVDJZRTBM-HNNXBMFYSA-N 1 2 303.789 3.277 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cc(F)cc(F)c1O ZINC000756378876 621633153 /nfs/dbraw/zinc/63/31/53/621633153.db2.gz JFSOPXCLUUXPPL-ZWNOBZJWSA-N 1 2 305.324 3.325 20 10 DGCDLO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc(F)cc(F)c1O ZINC000756382912 621633423 /nfs/dbraw/zinc/63/34/23/621633423.db2.gz GTARAGMUOIZKLS-BJOHPYRUSA-N 1 2 311.303 3.194 20 10 DGCDLO C[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cc(F)cc(F)c1O ZINC000756393095 621634822 /nfs/dbraw/zinc/63/48/22/621634822.db2.gz PXRWSTSOQVWJKC-VIFPVBQESA-N 1 2 321.327 3.012 20 10 DGCDLO C[C@H]([NH2+]C1CCOCC1)c1cc(Br)c(F)cc1O ZINC000756434232 621638270 /nfs/dbraw/zinc/63/82/70/621638270.db2.gz VIMNZOSIEMQLBC-QMMMGPOBSA-N 1 2 318.186 3.123 20 10 DGCDLO C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1O ZINC000756573009 621650214 /nfs/dbraw/zinc/65/02/14/621650214.db2.gz OPOARDOWTBOHME-NSHDSACASA-N 1 2 319.351 3.499 20 10 DGCDLO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756571682 621650372 /nfs/dbraw/zinc/65/03/72/621650372.db2.gz IYGPHZSLOPCROJ-APPDUMDISA-N 1 2 307.340 3.229 20 10 DGCDLO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(F)cc(F)c1O ZINC000756603787 621652359 /nfs/dbraw/zinc/65/23/59/621652359.db2.gz KWGWBVKZRQJPMP-VFZGTOFNSA-N 1 2 313.369 3.290 20 10 DGCDLO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(F)cc(F)c1O ZINC000756603785 621652395 /nfs/dbraw/zinc/65/23/95/621652395.db2.gz KWGWBVKZRQJPMP-RFAUZJTJSA-N 1 2 313.369 3.290 20 10 DGCDLO C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC000756629951 621653975 /nfs/dbraw/zinc/65/39/75/621653975.db2.gz SRNUINWUZNXKCI-SNVBAGLBSA-N 1 2 315.360 3.443 20 10 DGCDLO COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756710186 621659746 /nfs/dbraw/zinc/65/97/46/621659746.db2.gz BUXUAQJUSYWULX-BMIGLBTASA-N 1 2 323.339 3.063 20 10 DGCDLO COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756710187 621659872 /nfs/dbraw/zinc/65/98/72/621659872.db2.gz BUXUAQJUSYWULX-BONVTDFDSA-N 1 2 323.339 3.063 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@@H](O)Cc1ccccc1 ZINC000756757918 621662129 /nfs/dbraw/zinc/66/21/29/621662129.db2.gz DAGZSCJAORNDQK-JKDFXYPNSA-N 1 2 321.367 3.313 20 10 DGCDLO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756786125 621664434 /nfs/dbraw/zinc/66/44/34/621664434.db2.gz JPHRRQNISGAHNL-JTQLQIEISA-N 1 2 323.387 3.304 20 10 DGCDLO COc1cc(C)[nH+]c(CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000757084718 621685612 /nfs/dbraw/zinc/68/56/12/621685612.db2.gz DWQMPNOYPVNFTN-UHFFFAOYSA-N 1 2 302.374 3.052 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2cc(Cl)cn2C)c1O ZINC000120273759 621823391 /nfs/dbraw/zinc/82/33/91/621823391.db2.gz APGCTCLSQQCJQW-UHFFFAOYSA-N 1 2 324.783 3.358 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2cc(Cl)cn2C)c1O ZINC000120273759 621823396 /nfs/dbraw/zinc/82/33/96/621823396.db2.gz APGCTCLSQQCJQW-UHFFFAOYSA-N 1 2 324.783 3.358 20 10 DGCDLO COc1ccc(N(C)Cc2c[nH+]c3c(C)cccn23)cc1OC ZINC000761219659 621995243 /nfs/dbraw/zinc/99/52/43/621995243.db2.gz AHLQQAQBMPMQEV-UHFFFAOYSA-N 1 2 311.385 3.296 20 10 DGCDLO CCOc1ccc(C[N@H+](C)Cc2csc(CC)n2)c(O)c1 ZINC000769119348 622499923 /nfs/dbraw/zinc/49/99/23/622499923.db2.gz BGFCQGUWUVIRJI-UHFFFAOYSA-N 1 2 306.431 3.442 20 10 DGCDLO CCOc1ccc(C[N@@H+](C)Cc2csc(CC)n2)c(O)c1 ZINC000769119348 622499926 /nfs/dbraw/zinc/49/99/26/622499926.db2.gz BGFCQGUWUVIRJI-UHFFFAOYSA-N 1 2 306.431 3.442 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1F ZINC000769326256 622518244 /nfs/dbraw/zinc/51/82/44/622518244.db2.gz GYWATQUGACKCLK-INIZCTEOSA-N 1 2 322.424 3.198 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)cc1F ZINC000769326256 622518247 /nfs/dbraw/zinc/51/82/47/622518247.db2.gz GYWATQUGACKCLK-INIZCTEOSA-N 1 2 322.424 3.198 20 10 DGCDLO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c1O ZINC000124542198 623155463 /nfs/dbraw/zinc/15/54/63/623155463.db2.gz NRYGLPVKANIVOX-QWRGUYRKSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1O ZINC000124542198 623155467 /nfs/dbraw/zinc/15/54/67/623155467.db2.gz NRYGLPVKANIVOX-QWRGUYRKSA-N 1 2 314.223 3.072 20 10 DGCDLO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000774832146 623197290 /nfs/dbraw/zinc/19/72/90/623197290.db2.gz JGTLXNSDBPSTSP-GXFFZTMASA-N 1 2 314.223 3.059 20 10 DGCDLO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1nccs1 ZINC000775025752 623217638 /nfs/dbraw/zinc/21/76/38/623217638.db2.gz WFNCOTDPSHOVAA-SNVBAGLBSA-N 1 2 323.374 3.006 20 10 DGCDLO Oc1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(Cl)c1O)C2 ZINC000775173452 623237501 /nfs/dbraw/zinc/23/75/01/623237501.db2.gz RSTFQGWDEGLSRS-AWEZNQCLSA-N 1 2 303.789 3.398 20 10 DGCDLO Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000775200637 623241341 /nfs/dbraw/zinc/24/13/41/623241341.db2.gz NIJVYFARHOMOBY-OAHLLOKOSA-N 1 2 309.768 3.316 20 10 DGCDLO C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(N(C)C)cc1 ZINC000775637774 623300354 /nfs/dbraw/zinc/30/03/54/623300354.db2.gz XRAWQTSTPKWVRI-ZDUSSCGKSA-N 1 2 323.400 3.283 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CN2CCCC2)c1O ZINC000775665105 623309008 /nfs/dbraw/zinc/30/90/08/623309008.db2.gz XUENMYJBFBTQPT-MRXNPFEDSA-N 1 2 308.853 3.414 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CN2CCCC2)c1O ZINC000775665105 623309011 /nfs/dbraw/zinc/30/90/11/623309011.db2.gz XUENMYJBFBTQPT-MRXNPFEDSA-N 1 2 308.853 3.414 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000775674437 623310851 /nfs/dbraw/zinc/31/08/51/623310851.db2.gz ARMWVOJQXXOQMM-CYBMUJFWSA-N 1 2 309.772 3.218 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000775674437 623310854 /nfs/dbraw/zinc/31/08/54/623310854.db2.gz ARMWVOJQXXOQMM-CYBMUJFWSA-N 1 2 309.772 3.218 20 10 DGCDLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccc(N(C)C)cc1 ZINC000775833245 623339597 /nfs/dbraw/zinc/33/95/97/623339597.db2.gz AEPROLFHWLCBEO-GFCCVEGCSA-N 1 2 302.422 3.284 20 10 DGCDLO CCCCc1noc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775834068 623339819 /nfs/dbraw/zinc/33/98/19/623339819.db2.gz OZGDNIBGGAHSDQ-CYBMUJFWSA-N 1 2 302.422 3.329 20 10 DGCDLO C[C@H](CN1CCCCC1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000775972266 623359593 /nfs/dbraw/zinc/35/95/93/623359593.db2.gz MUOFZLBWIBHAEK-LLVKDONJSA-N 1 2 300.805 3.149 20 10 DGCDLO C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)c1cccs1 ZINC000776209108 623396969 /nfs/dbraw/zinc/39/69/69/623396969.db2.gz MUEXRBHRVFHABB-CQSZACIVSA-N 1 2 315.797 3.244 20 10 DGCDLO OC[C@]1([NH2+]Cc2cc(Cl)cc(F)c2O)CCc2ccccc21 ZINC000776252743 623401528 /nfs/dbraw/zinc/40/15/28/623401528.db2.gz XDOLTTJGUHGZKS-QGZVFWFLSA-N 1 2 321.779 3.108 20 10 DGCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000778190020 623622352 /nfs/dbraw/zinc/62/23/52/623622352.db2.gz USDLYOYZHKWBAI-LLVKDONJSA-N 1 2 312.200 3.000 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(C)cc2O)no1 ZINC000876628779 623663716 /nfs/dbraw/zinc/66/37/16/623663716.db2.gz VIEWRTCXAFYUOS-AWEZNQCLSA-N 1 2 301.390 3.373 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(C)cc2O)no1 ZINC000876628779 623663721 /nfs/dbraw/zinc/66/37/21/623663721.db2.gz VIEWRTCXAFYUOS-AWEZNQCLSA-N 1 2 301.390 3.373 20 10 DGCDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000876805891 623710797 /nfs/dbraw/zinc/71/07/97/623710797.db2.gz HOHZUFHHBZAHPN-AWEZNQCLSA-N 1 2 307.344 3.049 20 10 DGCDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000876805891 623710800 /nfs/dbraw/zinc/71/08/00/623710800.db2.gz HOHZUFHHBZAHPN-AWEZNQCLSA-N 1 2 307.344 3.049 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1ccccc1O ZINC000779007965 623720164 /nfs/dbraw/zinc/72/01/64/623720164.db2.gz OQXWENHOKQRKCJ-QGZVFWFLSA-N 1 2 310.441 3.489 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1O ZINC000779007965 623720172 /nfs/dbraw/zinc/72/01/72/623720172.db2.gz OQXWENHOKQRKCJ-QGZVFWFLSA-N 1 2 310.441 3.489 20 10 DGCDLO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1O ZINC000806148078 623748841 /nfs/dbraw/zinc/74/88/41/623748841.db2.gz QHHDYKFCJBWNPC-BXUZGUMPSA-N 1 2 324.852 3.486 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1F ZINC000126431176 623834150 /nfs/dbraw/zinc/83/41/50/623834150.db2.gz NQNGGFZNAYDTKL-SFHVURJKSA-N 1 2 324.403 3.494 20 10 DGCDLO CCn1nc(C)c(C[N@H+](C)Cc2ccc(F)c(F)c2O)c1C ZINC000877664026 623983345 /nfs/dbraw/zinc/98/33/45/623983345.db2.gz KMUHMCUMKQIDRX-UHFFFAOYSA-N 1 2 309.360 3.136 20 10 DGCDLO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(F)c(F)c2O)c1C ZINC000877664026 623983348 /nfs/dbraw/zinc/98/33/48/623983348.db2.gz KMUHMCUMKQIDRX-UHFFFAOYSA-N 1 2 309.360 3.136 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCO[C@H](C)[C@@H]2C)c1 ZINC000781908690 624170435 /nfs/dbraw/zinc/17/04/35/624170435.db2.gz KXKKEUVQFXMZSF-WDEREUQCSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c1 ZINC000781908690 624170436 /nfs/dbraw/zinc/17/04/36/624170436.db2.gz KXKKEUVQFXMZSF-WDEREUQCSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000786577691 624925514 /nfs/dbraw/zinc/92/55/14/624925514.db2.gz CWEYPVMOWBRKAQ-HNNXBMFYSA-N 1 2 323.795 3.186 20 10 DGCDLO CO[C@@H](CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O)C(F)(F)F ZINC000786955397 624967406 /nfs/dbraw/zinc/96/74/06/624967406.db2.gz ZJXSQHWRXHFKSZ-CPCISQLKSA-N 1 2 313.266 3.288 20 10 DGCDLO CC(C)[C@H](C[NH2+]Cc1cccc(Cl)c1O)c1ccnn1C ZINC000788266174 625107695 /nfs/dbraw/zinc/10/76/95/625107695.db2.gz LASNZDZLHWCZDT-ZDUSSCGKSA-N 1 2 307.825 3.309 20 10 DGCDLO OC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccsc1 ZINC000790989457 625731919 /nfs/dbraw/zinc/73/19/19/625731919.db2.gz DCRVKBDQFMVYFQ-NSHDSACASA-N 1 2 301.770 3.069 20 10 DGCDLO Cc1cccc(C[NH2+]Cc2noc(-c3ccccc3C)n2)c1O ZINC000792175002 625920954 /nfs/dbraw/zinc/92/09/54/625920954.db2.gz OMTKUJDVSQQWEU-UHFFFAOYSA-N 1 2 309.369 3.349 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000801584052 626410495 /nfs/dbraw/zinc/41/04/95/626410495.db2.gz YVKPZXNFJWHBPR-UHFFFAOYSA-N 1 2 300.377 3.286 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000801584052 626410497 /nfs/dbraw/zinc/41/04/97/626410497.db2.gz YVKPZXNFJWHBPR-UHFFFAOYSA-N 1 2 300.377 3.286 20 10 DGCDLO CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1cccc(Cl)c1O ZINC000806128910 626700625 /nfs/dbraw/zinc/70/06/25/626700625.db2.gz ZFCWSDMIBKEFOQ-OAHLLOKOSA-N 1 2 310.825 3.097 20 10 DGCDLO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)c1O ZINC000808701792 626851015 /nfs/dbraw/zinc/85/10/15/626851015.db2.gz IRFJNAOPXYMFIN-ZWNOBZJWSA-N 1 2 305.809 3.285 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc(F)cc(F)c1O ZINC000808727583 626854284 /nfs/dbraw/zinc/85/42/84/626854284.db2.gz JJLNVZNBXKPGBU-WDEREUQCSA-N 1 2 305.324 3.497 20 10 DGCDLO CSCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000134907947 626891245 /nfs/dbraw/zinc/89/12/45/626891245.db2.gz AZHZDLMOPSAECS-ZETCQYMHSA-N 1 2 308.216 3.307 20 10 DGCDLO Cn1nccc1C1=CC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000809690106 626936615 /nfs/dbraw/zinc/93/66/15/626936615.db2.gz HIXDDUXWRRDNLV-UHFFFAOYSA-N 1 2 321.783 3.208 20 10 DGCDLO Cn1nccc1C1=CC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000809690106 626936617 /nfs/dbraw/zinc/93/66/17/626936617.db2.gz HIXDDUXWRRDNLV-UHFFFAOYSA-N 1 2 321.783 3.208 20 10 DGCDLO COCC[N@H+](Cc1ccccn1)Cc1cc(Cl)cc(F)c1O ZINC000809734700 626943587 /nfs/dbraw/zinc/94/35/87/626943587.db2.gz NUDMCFAJDYTOOH-UHFFFAOYSA-N 1 2 324.783 3.228 20 10 DGCDLO COCC[N@@H+](Cc1ccccn1)Cc1cc(Cl)cc(F)c1O ZINC000809734700 626943589 /nfs/dbraw/zinc/94/35/89/626943589.db2.gz NUDMCFAJDYTOOH-UHFFFAOYSA-N 1 2 324.783 3.228 20 10 DGCDLO CCC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000809790725 626954603 /nfs/dbraw/zinc/95/46/03/626954603.db2.gz LWKITRPYDAAOAR-OAHLLOKOSA-N 1 2 301.789 3.169 20 10 DGCDLO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000809790725 626954605 /nfs/dbraw/zinc/95/46/05/626954605.db2.gz LWKITRPYDAAOAR-OAHLLOKOSA-N 1 2 301.789 3.169 20 10 DGCDLO CN(C)c1ccc(C[NH+]2CC(O)(c3ccc(Cl)cc3)C2)cc1 ZINC000811509473 627284178 /nfs/dbraw/zinc/28/41/78/627284178.db2.gz RUNLTFAILSUKKI-UHFFFAOYSA-N 1 2 316.832 3.109 20 10 DGCDLO Cc1cc(Cl)cc(C[NH+]2CC(O)(c3ccccc3)C2)c1O ZINC000811509485 627284419 /nfs/dbraw/zinc/28/44/19/627284419.db2.gz ZCCOOVWYKIIGJL-UHFFFAOYSA-N 1 2 303.789 3.057 20 10 DGCDLO Oc1ccc2oc3c(c2c1C[N@@H+]1CCn2cncc2C1)CCCC3 ZINC000811787554 627321568 /nfs/dbraw/zinc/32/15/68/627321568.db2.gz OBDSQLMTGORLQW-UHFFFAOYSA-N 1 2 323.396 3.230 20 10 DGCDLO Oc1ccc2oc3c(c2c1C[N@H+]1CCn2cncc2C1)CCCC3 ZINC000811787554 627321570 /nfs/dbraw/zinc/32/15/70/627321570.db2.gz OBDSQLMTGORLQW-UHFFFAOYSA-N 1 2 323.396 3.230 20 10 DGCDLO Nc1nc(NCc2c(O)ccc3c2CCCC3)[nH+]c2ccccc12 ZINC000811809147 627323769 /nfs/dbraw/zinc/32/37/69/627323769.db2.gz ZAZATQOIAIYGRU-UHFFFAOYSA-N 1 2 320.396 3.409 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nnc2ccccn21 ZINC000816530433 627803309 /nfs/dbraw/zinc/80/33/09/627803309.db2.gz ICZSIVOLGZVDSQ-SECBINFHSA-N 1 2 320.755 3.078 20 10 DGCDLO OCCC1([NH2+]Cc2cc(Cl)c(F)cc2O)CCCCC1 ZINC000816555607 627806438 /nfs/dbraw/zinc/80/64/38/627806438.db2.gz KLHCPKNRTOKYHX-UHFFFAOYSA-N 1 2 301.789 3.360 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000816593848 627812830 /nfs/dbraw/zinc/81/28/30/627812830.db2.gz GURQCLIRZONQCQ-CYBMUJFWSA-N 1 2 322.767 3.233 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000816593848 627812832 /nfs/dbraw/zinc/81/28/32/627812832.db2.gz GURQCLIRZONQCQ-CYBMUJFWSA-N 1 2 322.767 3.233 20 10 DGCDLO CCC[N@H+](Cc1nn(C)c(C)c1Cl)Cc1ccccc1O ZINC000817406370 627893666 /nfs/dbraw/zinc/89/36/66/627893666.db2.gz METDANABBFYROT-UHFFFAOYSA-N 1 2 307.825 3.500 20 10 DGCDLO CCC[N@@H+](Cc1nn(C)c(C)c1Cl)Cc1ccccc1O ZINC000817406370 627893668 /nfs/dbraw/zinc/89/36/68/627893668.db2.gz METDANABBFYROT-UHFFFAOYSA-N 1 2 307.825 3.500 20 10 DGCDLO C[C@H]([NH2+]CCCNCc1cccnc1)c1cc(Cl)ccc1O ZINC000817941311 627968521 /nfs/dbraw/zinc/96/85/21/627968521.db2.gz RZPURIDVKJTJFP-ZDUSSCGKSA-N 1 2 319.836 3.271 20 10 DGCDLO CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817954019 627973341 /nfs/dbraw/zinc/97/33/41/627973341.db2.gz VCFDJVHRANPBHE-GFCCVEGCSA-N 1 2 303.233 3.492 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1ccc(C(F)(F)F)cc1O ZINC000817969518 627978372 /nfs/dbraw/zinc/97/83/72/627978372.db2.gz VWDJPONNEHHOJN-BPNCWPANSA-N 1 2 316.367 3.450 20 10 DGCDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)s1 ZINC000818355876 628018107 /nfs/dbraw/zinc/01/81/07/628018107.db2.gz KJRJERYOXDVQRX-RKDXNWHRSA-N 1 2 324.377 3.186 20 10 DGCDLO CC[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000824291788 628647384 /nfs/dbraw/zinc/64/73/84/628647384.db2.gz HLDSLNMSYVTDND-VXGBXAGGSA-N 1 2 314.223 3.202 20 10 DGCDLO CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000824291785 628647857 /nfs/dbraw/zinc/64/78/57/628647857.db2.gz HLDSLNMSYVTDND-NWDGAFQWSA-N 1 2 314.223 3.202 20 10 DGCDLO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000824625646 628678213 /nfs/dbraw/zinc/67/82/13/628678213.db2.gz MUQGZJPTDARCSZ-OCCSQVGLSA-N 1 2 311.809 3.257 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)[C@H](C)[C@H](C)O1 ZINC000825634623 628780005 /nfs/dbraw/zinc/78/00/05/628780005.db2.gz PAXHMMUAVVHZFN-MXWKQRLJSA-N 1 2 314.223 3.152 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)[C@H](C)[C@H](C)O1 ZINC000825634623 628780009 /nfs/dbraw/zinc/78/00/09/628780009.db2.gz PAXHMMUAVVHZFN-MXWKQRLJSA-N 1 2 314.223 3.152 20 10 DGCDLO CN(C)c1ccc(C[N@H+](C)Cc2cnc[nH]2)c(C(F)(F)F)c1 ZINC000826768782 628884442 /nfs/dbraw/zinc/88/44/42/628884442.db2.gz DCKMATRMEOEVEI-UHFFFAOYSA-N 1 2 312.339 3.127 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](C)Cc2cnc[nH]2)c(C(F)(F)F)c1 ZINC000826768782 628884443 /nfs/dbraw/zinc/88/44/43/628884443.db2.gz DCKMATRMEOEVEI-UHFFFAOYSA-N 1 2 312.339 3.127 20 10 DGCDLO CN(C)c1ccc(C[N@H+](C)Cc2c[nH]cn2)c(C(F)(F)F)c1 ZINC000826768782 628884445 /nfs/dbraw/zinc/88/44/45/628884445.db2.gz DCKMATRMEOEVEI-UHFFFAOYSA-N 1 2 312.339 3.127 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](C)Cc2c[nH]cn2)c(C(F)(F)F)c1 ZINC000826768782 628884446 /nfs/dbraw/zinc/88/44/46/628884446.db2.gz DCKMATRMEOEVEI-UHFFFAOYSA-N 1 2 312.339 3.127 20 10 DGCDLO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(Cl)c1O ZINC000827733793 628986780 /nfs/dbraw/zinc/98/67/80/628986780.db2.gz OHOJNGWSMLSTKV-WBMJQRKESA-N 1 2 305.805 3.300 20 10 DGCDLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@](C)(C(F)F)O1 ZINC000827962092 629008838 /nfs/dbraw/zinc/00/88/38/629008838.db2.gz FSCPUMZUXPYIBU-ZBEGNZNMSA-N 1 2 316.367 3.136 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@](C)(C(F)F)O1 ZINC000827962092 629008839 /nfs/dbraw/zinc/00/88/39/629008839.db2.gz FSCPUMZUXPYIBU-ZBEGNZNMSA-N 1 2 316.367 3.136 20 10 DGCDLO CC[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cc(Cl)ccc1O ZINC000834872515 629794266 /nfs/dbraw/zinc/79/42/66/629794266.db2.gz YFRMFNAFYFLPKI-LBPRGKRZSA-N 1 2 306.797 3.282 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000835053547 629837716 /nfs/dbraw/zinc/83/77/16/629837716.db2.gz NWKVJINSAHYGNP-QDLOVBKTSA-N 1 2 310.388 3.122 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000835053547 629837720 /nfs/dbraw/zinc/83/77/20/629837720.db2.gz NWKVJINSAHYGNP-QDLOVBKTSA-N 1 2 310.388 3.122 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nnc(-c2ccccc2)[nH]1 ZINC000840936089 630380489 /nfs/dbraw/zinc/38/04/89/630380489.db2.gz GTFPQOITPQGQSA-UHFFFAOYSA-N 1 2 321.428 3.136 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ncc(Cl)n1C ZINC000840936497 630380507 /nfs/dbraw/zinc/38/05/07/630380507.db2.gz KFLXPOKEBSHQSX-UHFFFAOYSA-N 1 2 306.841 3.080 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ncc(Cl)n1C ZINC000840936497 630380509 /nfs/dbraw/zinc/38/05/09/630380509.db2.gz KFLXPOKEBSHQSX-UHFFFAOYSA-N 1 2 306.841 3.080 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)c(Cl)c1 ZINC000840950310 630383235 /nfs/dbraw/zinc/38/32/35/630383235.db2.gz IUJSIFKVRCTCPC-FQEVSTJZSA-N 1 2 315.866 3.087 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CC[S@](=O)C(C)(C)CC2)c(Cl)c1 ZINC000840950310 630383238 /nfs/dbraw/zinc/38/32/38/630383238.db2.gz IUJSIFKVRCTCPC-FQEVSTJZSA-N 1 2 315.866 3.087 20 10 DGCDLO Cc1cc(O)c(C[NH2+]Cc2nn(C)cc2Cl)c(Cl)c1 ZINC000840950124 630383356 /nfs/dbraw/zinc/38/33/56/630383356.db2.gz FJVPRNACGHCGSS-UHFFFAOYSA-N 1 2 300.189 3.031 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000840973417 630389321 /nfs/dbraw/zinc/38/93/21/630389321.db2.gz MOSWBLWQYLHCSJ-UHFFFAOYSA-N 1 2 313.785 3.203 20 10 DGCDLO CCn1cncc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000841828005 630469499 /nfs/dbraw/zinc/46/94/99/630469499.db2.gz SXZJCAUQXFUOLZ-UHFFFAOYSA-N 1 2 311.385 3.404 20 10 DGCDLO CCn1cncc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000841828005 630469503 /nfs/dbraw/zinc/46/95/03/630469503.db2.gz SXZJCAUQXFUOLZ-UHFFFAOYSA-N 1 2 311.385 3.404 20 10 DGCDLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@@H]1SC ZINC000843429379 630657479 /nfs/dbraw/zinc/65/74/79/630657479.db2.gz BUEPUJYJRHUXCG-BZPMIXESSA-N 1 2 319.829 3.183 20 10 DGCDLO C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cc(F)cc(F)c1O ZINC000844920865 630983171 /nfs/dbraw/zinc/98/31/71/630983171.db2.gz NQVCRIWQRDKKSU-GWCFXTLKSA-N 1 2 304.340 3.358 20 10 DGCDLO COc1cccc([C@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C)c1O ZINC000846169359 631213295 /nfs/dbraw/zinc/21/32/95/631213295.db2.gz PZVFUVMQVLWECX-WFASDCNBSA-N 1 2 309.406 3.028 20 10 DGCDLO Cc1noc(C[N@@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)n1 ZINC000847086110 631401073 /nfs/dbraw/zinc/40/10/73/631401073.db2.gz LVZDHHHALJVSDB-UHFFFAOYSA-N 1 2 314.433 3.309 20 10 DGCDLO Cc1noc(C[N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)n1 ZINC000847086110 631401078 /nfs/dbraw/zinc/40/10/78/631401078.db2.gz LVZDHHHALJVSDB-UHFFFAOYSA-N 1 2 314.433 3.309 20 10 DGCDLO O=C1C[N@H+](Cc2cc3c(cc2O)CCCC3)Cc2ccccc2N1 ZINC000848497423 631670166 /nfs/dbraw/zinc/67/01/66/631670166.db2.gz NPYLGGJRZXIULH-UHFFFAOYSA-N 1 2 322.408 3.225 20 10 DGCDLO O=C1C[N@@H+](Cc2cc3c(cc2O)CCCC3)Cc2ccccc2N1 ZINC000848497423 631670167 /nfs/dbraw/zinc/67/01/67/631670167.db2.gz NPYLGGJRZXIULH-UHFFFAOYSA-N 1 2 322.408 3.225 20 10 DGCDLO CCc1cccc(C[NH2+][C@@H](C)c2noc(COC(C)C)n2)c1O ZINC000848913247 631784251 /nfs/dbraw/zinc/78/42/51/631784251.db2.gz SKAWDTKJJRYPLJ-LBPRGKRZSA-N 1 2 319.405 3.113 20 10 DGCDLO Oc1cccc2c1[C@@H](N[C@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000850538926 632186807 /nfs/dbraw/zinc/18/68/07/632186807.db2.gz OGWGKIGDIHOKQL-RDJZCZTQSA-N 1 2 300.446 3.376 20 10 DGCDLO Oc1cccc2c1[C@@H](N[C@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000850538926 632186812 /nfs/dbraw/zinc/18/68/12/632186812.db2.gz OGWGKIGDIHOKQL-RDJZCZTQSA-N 1 2 300.446 3.376 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000708419363 660920851 /nfs/dbraw/zinc/92/08/51/660920851.db2.gz BWFKVKMTARKAKU-INIZCTEOSA-N 1 2 318.367 3.035 20 10 DGCDLO CN(C)c1ccc(C[N@H+](C)Cc2ccon2)c(C(F)(F)F)c1 ZINC000792828632 660986969 /nfs/dbraw/zinc/98/69/69/660986969.db2.gz NCPDNSLWHHNKTJ-UHFFFAOYSA-N 1 2 313.323 3.391 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](C)Cc2ccon2)c(C(F)(F)F)c1 ZINC000792828632 660986974 /nfs/dbraw/zinc/98/69/74/660986974.db2.gz NCPDNSLWHHNKTJ-UHFFFAOYSA-N 1 2 313.323 3.391 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C(=O)OCCc2c[nH+]cn2C)cc1 ZINC000793252755 661018235 /nfs/dbraw/zinc/01/82/35/661018235.db2.gz PDRCMIVREILVPD-UHFFFAOYSA-N 1 2 323.396 3.227 20 10 DGCDLO Cc1ccc(C[N@H+](CCO)Cc2cc(Cl)cc(F)c2O)o1 ZINC000793366423 661027450 /nfs/dbraw/zinc/02/74/50/661027450.db2.gz SJYCMMVTDMFMMO-UHFFFAOYSA-N 1 2 313.756 3.081 20 10 DGCDLO Cc1ccc(C[N@@H+](CCO)Cc2cc(Cl)cc(F)c2O)o1 ZINC000793366423 661027452 /nfs/dbraw/zinc/02/74/52/661027452.db2.gz SJYCMMVTDMFMMO-UHFFFAOYSA-N 1 2 313.756 3.081 20 10 DGCDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CS1 ZINC000715768168 661214442 /nfs/dbraw/zinc/21/44/42/661214442.db2.gz CACVMFSXYQUIKQ-XCBNKYQSSA-N 1 2 320.227 3.277 20 10 DGCDLO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715768159 661214521 /nfs/dbraw/zinc/21/45/21/661214521.db2.gz BWRKFSWABCGALW-HQJQHLMTSA-N 1 2 320.227 3.135 20 10 DGCDLO C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715790720 661214760 /nfs/dbraw/zinc/21/47/60/661214760.db2.gz CPEDUIZJLADCJG-WRWORJQWSA-N 1 2 320.227 3.277 20 10 DGCDLO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000309783730 656054950 /nfs/dbraw/zinc/05/49/50/656054950.db2.gz NNFCAUUVYBYZOY-KWQFWETISA-N 1 2 302.237 3.138 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000716237819 661220297 /nfs/dbraw/zinc/22/02/97/661220297.db2.gz LTJZQMLUFYKEOS-MRXNPFEDSA-N 1 2 316.832 3.410 20 10 DGCDLO CN1CC[N@H+](Cc2cc(F)ccc2O)[C@H](c2ccccc2)C1 ZINC000183246794 660106455 /nfs/dbraw/zinc/10/64/55/660106455.db2.gz VXNCAXFSCOJEFV-KRWDZBQOSA-N 1 2 300.377 3.020 20 10 DGCDLO CN1CC[N@@H+](Cc2cc(F)ccc2O)[C@H](c2ccccc2)C1 ZINC000183246794 660106457 /nfs/dbraw/zinc/10/64/57/660106457.db2.gz VXNCAXFSCOJEFV-KRWDZBQOSA-N 1 2 300.377 3.020 20 10 DGCDLO C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000156067387 661857532 /nfs/dbraw/zinc/85/75/32/661857532.db2.gz LOMXVAITJHESML-LBPRGKRZSA-N 1 2 303.233 3.225 20 10 DGCDLO C[C@@H](C[NH2+]Cc1cccc(Cl)c1O)NC(=O)OC(C)(C)C ZINC000192691352 662108409 /nfs/dbraw/zinc/10/84/09/662108409.db2.gz IECGZIVAUXNDRP-JTQLQIEISA-N 1 2 314.813 3.048 20 10 DGCDLO C[C@H](N1CC[NH+](Cc2cc(Cl)ccc2O)CC1)C(F)(F)F ZINC000093883012 662360801 /nfs/dbraw/zinc/36/08/01/662360801.db2.gz ZQNGFRFNVRDGRJ-JTQLQIEISA-N 1 2 322.758 3.114 20 10 DGCDLO C[C@@H]([NH2+]Cc1cccc(Br)c1O)[C@H]1CCCOC1 ZINC000388942507 685191558 /nfs/dbraw/zinc/19/15/58/685191558.db2.gz GOROMJCEFTXFTJ-PWSUYJOCSA-N 1 2 314.223 3.059 20 10 DGCDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC001461087379 1182766708 /nfs/dbraw/zinc/76/67/08/1182766708.db2.gz CWGPOZATEXVATB-UHFFFAOYSA-N 1 2 310.712 3.383 20 10 DGCDLO Cc1cc(F)cc(N(C)Cc2ccc(N3CCOCC3)cc2)[nH+]1 ZINC001515327741 1186753326 /nfs/dbraw/zinc/75/33/26/1186753326.db2.gz LTNOOYQHTBUGAP-UHFFFAOYSA-N 1 2 315.392 3.002 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)C1CCCCC1 ZINC001657064543 1196098986 /nfs/dbraw/zinc/09/89/86/1196098986.db2.gz PGROVHZAWJHZGU-CQSZACIVSA-N 1 2 301.789 3.216 20 10 DGCDLO CCOc1ccc([N@H+](CCCN2CCOC2=O)CC2CC2)cc1 ZINC001560069914 1189275277 /nfs/dbraw/zinc/27/52/77/1189275277.db2.gz HTWKGMMAIWFWFU-UHFFFAOYSA-N 1 2 318.417 3.144 20 10 DGCDLO CCOc1ccc([N@@H+](CCCN2CCOC2=O)CC2CC2)cc1 ZINC001560069914 1189275280 /nfs/dbraw/zinc/27/52/80/1189275280.db2.gz HTWKGMMAIWFWFU-UHFFFAOYSA-N 1 2 318.417 3.144 20 10 DGCDLO C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCCCC1 ZINC001560284264 1189305634 /nfs/dbraw/zinc/30/56/34/1189305634.db2.gz KUBPYGFJPNQOBM-LLVKDONJSA-N 1 2 300.805 3.149 20 10 DGCDLO Oc1ccc2c(c1)OCC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001560826568 1189389033 /nfs/dbraw/zinc/38/90/33/1189389033.db2.gz QTZLKOOGOQSNLV-UHFFFAOYSA-N 1 2 305.761 3.146 20 10 DGCDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(Cl)c2O)c(F)c1 ZINC001561044159 1189425520 /nfs/dbraw/zinc/42/55/20/1189425520.db2.gz UHWIRMSCGBNAOO-UHFFFAOYSA-N 1 2 310.712 3.383 20 10 DGCDLO CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1O ZINC001621148585 1193808551 /nfs/dbraw/zinc/80/85/51/1193808551.db2.gz NNHJSSMGPNCQMU-UHFFFAOYSA-N 1 2 315.360 3.223 20 10 DGCDLO CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1O ZINC001621148585 1193808554 /nfs/dbraw/zinc/80/85/54/1193808554.db2.gz NNHJSSMGPNCQMU-UHFFFAOYSA-N 1 2 315.360 3.223 20 10 DGCDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2ccc(Cl)cc2O)cn1 ZINC001621307878 1193828314 /nfs/dbraw/zinc/82/83/14/1193828314.db2.gz WSDXSNHYIDOIKY-AWEZNQCLSA-N 1 2 323.849 3.069 20 10 DGCDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2ccc(Cl)cc2O)cn1 ZINC001621307878 1193828316 /nfs/dbraw/zinc/82/83/16/1193828316.db2.gz WSDXSNHYIDOIKY-AWEZNQCLSA-N 1 2 323.849 3.069 20 10 DGCDLO Cn1c(Cl)cnc1C[N@H+](C)Cc1ccc(Cl)cc1O ZINC001652015389 1195536301 /nfs/dbraw/zinc/53/63/01/1195536301.db2.gz OGTQFNXEKNHGMC-UHFFFAOYSA-N 1 2 300.189 3.065 20 10 DGCDLO Cn1c(Cl)cnc1C[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001652015389 1195536307 /nfs/dbraw/zinc/53/63/07/1195536307.db2.gz OGTQFNXEKNHGMC-UHFFFAOYSA-N 1 2 300.189 3.065 20 10 DGCDLO Cc1nccnc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC001652842371 1195659521 /nfs/dbraw/zinc/65/95/21/1195659521.db2.gz QEKGBCCADPFWNX-UHFFFAOYSA-N 1 2 309.369 3.286 20 10 DGCDLO Cc1nccnc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC001652842371 1195659524 /nfs/dbraw/zinc/65/95/24/1195659524.db2.gz QEKGBCCADPFWNX-UHFFFAOYSA-N 1 2 309.369 3.286 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)C1CCCCC1 ZINC001657064542 1196099448 /nfs/dbraw/zinc/09/94/48/1196099448.db2.gz PGROVHZAWJHZGU-AWEZNQCLSA-N 1 2 301.789 3.216 20 10 DGCDLO Cn1c(C[NH2+]Cc2c(O)cccc2F)nc2cc(Cl)ccc21 ZINC001660046962 1196440317 /nfs/dbraw/zinc/44/03/17/1196440317.db2.gz CHDLVJITYWFDAH-UHFFFAOYSA-N 1 2 319.767 3.361 20 10 DGCDLO CCOC(OCC)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001663514194 1196891597 /nfs/dbraw/zinc/89/15/97/1196891597.db2.gz QICZDBMNFBBWFI-VIFPVBQESA-N 1 2 305.777 3.062 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2ccno2)c1 ZINC001236671458 1099737401 /nfs/dbraw/zinc/73/74/01/1099737401.db2.gz VNMPVSSVKUGPRS-UHFFFAOYSA-N 1 2 311.179 3.083 20 10 DGCDLO CC(C)[C@H]1COCC[N@H+]1Cc1cc(Br)ccc1O ZINC001203645722 1084701721 /nfs/dbraw/zinc/70/17/21/1084701721.db2.gz NJKBZJSQBPZBEC-CYBMUJFWSA-N 1 2 314.223 3.012 20 10 DGCDLO CC(C)[C@H]1COCC[N@@H+]1Cc1cc(Br)ccc1O ZINC001203645722 1084701714 /nfs/dbraw/zinc/70/17/14/1084701714.db2.gz NJKBZJSQBPZBEC-CYBMUJFWSA-N 1 2 314.223 3.012 20 10 DGCDLO COc1ccc2c(c1)CCCC[N@@H+]2CC[C@@H]1COC(C)(C)O1 ZINC001168245075 1087070944 /nfs/dbraw/zinc/07/09/44/1087070944.db2.gz XWIPGXWJMIGVRA-MRXNPFEDSA-N 1 2 305.418 3.380 20 10 DGCDLO COc1ccc2c(c1)CCCC[N@H+]2CC[C@@H]1COC(C)(C)O1 ZINC001168245075 1087070938 /nfs/dbraw/zinc/07/09/38/1087070938.db2.gz XWIPGXWJMIGVRA-MRXNPFEDSA-N 1 2 305.418 3.380 20 10 DGCDLO Cc1ccn2cc(C[N@@H+](C)Cc3cc(F)c(F)cc3O)nc2c1 ZINC001142534339 1087279989 /nfs/dbraw/zinc/27/99/89/1087279989.db2.gz GDGHJBSRULNJHC-UHFFFAOYSA-N 1 2 317.339 3.259 20 10 DGCDLO Cc1ccn2cc(C[N@H+](C)Cc3cc(F)c(F)cc3O)nc2c1 ZINC001142534339 1087279996 /nfs/dbraw/zinc/27/99/96/1087279996.db2.gz GDGHJBSRULNJHC-UHFFFAOYSA-N 1 2 317.339 3.259 20 10 DGCDLO Nc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1 ZINC001159269135 1088266526 /nfs/dbraw/zinc/26/65/26/1088266526.db2.gz VVKWXJOBESESPU-UHFFFAOYSA-N 1 2 303.163 3.423 20 10 DGCDLO CCN(Cc1ccccc1O)c1nc(NCC2CC2)c(C)c[nH+]1 ZINC001154881041 1088806914 /nfs/dbraw/zinc/80/69/14/1088806914.db2.gz FQZODWICDJPUGX-UHFFFAOYSA-N 1 2 312.417 3.339 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CCC[C@@]1(C)O ZINC001237617170 1090314580 /nfs/dbraw/zinc/31/45/80/1090314580.db2.gz LYNSIMVTJVXITO-ZUZCIYMTSA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CCC[C@@]1(C)O ZINC001237617170 1090314587 /nfs/dbraw/zinc/31/45/87/1090314587.db2.gz LYNSIMVTJVXITO-ZUZCIYMTSA-N 1 2 301.789 3.168 20 10 DGCDLO COc1cc2c(cc1OC)C[NH+](Cc1ccc(N(C)C)cc1)C2 ZINC001203937343 1090844476 /nfs/dbraw/zinc/84/44/76/1090844476.db2.gz VRRRMJXFOFYBKU-UHFFFAOYSA-N 1 2 312.413 3.286 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1ccc(F)c(F)c1)CCC2 ZINC001204227734 1090928537 /nfs/dbraw/zinc/92/85/37/1090928537.db2.gz JUYASMVKPKHOJQ-UHFFFAOYSA-N 1 2 305.324 3.324 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1ccc(F)c(F)c1)CCC2 ZINC001204227734 1090928541 /nfs/dbraw/zinc/92/85/41/1090928541.db2.gz JUYASMVKPKHOJQ-UHFFFAOYSA-N 1 2 305.324 3.324 20 10 DGCDLO Cc1c(C[N@@H+]2CCOC[C@@H]2c2cccnc2)c2ccccc2n1C ZINC001138259096 1091127822 /nfs/dbraw/zinc/12/78/22/1091127822.db2.gz AVCFXZSWFFCTSZ-HXUWFJFHSA-N 1 2 321.424 3.455 20 10 DGCDLO Cc1c(C[N@H+]2CCOC[C@@H]2c2cccnc2)c2ccccc2n1C ZINC001138259096 1091127828 /nfs/dbraw/zinc/12/78/28/1091127828.db2.gz AVCFXZSWFFCTSZ-HXUWFJFHSA-N 1 2 321.424 3.455 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1c(C)n(C)c2ccccc12)C1CC1 ZINC001138259945 1091128313 /nfs/dbraw/zinc/12/83/13/1091128313.db2.gz SEFSECOSHCETCT-UHFFFAOYSA-N 1 2 300.402 3.014 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1c(C)n(C)c2ccccc12)C1CC1 ZINC001138259945 1091128314 /nfs/dbraw/zinc/12/83/14/1091128314.db2.gz SEFSECOSHCETCT-UHFFFAOYSA-N 1 2 300.402 3.014 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1ccc(Br)o1)CC2 ZINC001138907200 1091373887 /nfs/dbraw/zinc/37/38/87/1091373887.db2.gz LRYVOBUEWAKLDH-UHFFFAOYSA-N 1 2 308.175 3.306 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1ccc(Br)o1)CC2 ZINC001138907200 1091373900 /nfs/dbraw/zinc/37/39/00/1091373900.db2.gz LRYVOBUEWAKLDH-UHFFFAOYSA-N 1 2 308.175 3.306 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001139126808 1091457335 /nfs/dbraw/zinc/45/73/35/1091457335.db2.gz QQAIKRUCVDONNY-NSHDSACASA-N 1 2 323.339 3.284 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001139126808 1091457342 /nfs/dbraw/zinc/45/73/42/1091457342.db2.gz QQAIKRUCVDONNY-NSHDSACASA-N 1 2 323.339 3.284 20 10 DGCDLO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1Cc1cc(F)c(F)cc1O ZINC001206800502 1091746619 /nfs/dbraw/zinc/74/66/19/1091746619.db2.gz KTYMWBSRYNNLJV-BLLLJJGKSA-N 1 2 312.404 3.223 20 10 DGCDLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC001140103952 1091768538 /nfs/dbraw/zinc/76/85/38/1091768538.db2.gz VNQNGDRDGZVHDI-CYBMUJFWSA-N 1 2 312.207 3.098 20 10 DGCDLO CC(=O)[C@H]1CCCC[N@H+]1Cc1c(O)cccc1Br ZINC001140103952 1091768542 /nfs/dbraw/zinc/76/85/42/1091768542.db2.gz VNQNGDRDGZVHDI-CYBMUJFWSA-N 1 2 312.207 3.098 20 10 DGCDLO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)cc(F)cc1F ZINC001140585600 1091921195 /nfs/dbraw/zinc/92/11/95/1091921195.db2.gz PDBXBIGSESQBRF-UHFFFAOYSA-N 1 2 321.323 3.421 20 10 DGCDLO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)cc(F)cc1F ZINC001140585600 1091921198 /nfs/dbraw/zinc/92/11/98/1091921198.db2.gz PDBXBIGSESQBRF-UHFFFAOYSA-N 1 2 321.323 3.421 20 10 DGCDLO Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140586033 1091921236 /nfs/dbraw/zinc/92/12/36/1091921236.db2.gz ZTQBOZNOKNUYMY-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140586033 1091921239 /nfs/dbraw/zinc/92/12/39/1091921239.db2.gz ZTQBOZNOKNUYMY-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001140585235 1091921809 /nfs/dbraw/zinc/92/18/09/1091921809.db2.gz AMWPRBPLALDJBY-CQSZACIVSA-N 1 2 323.314 3.463 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001140585235 1091921814 /nfs/dbraw/zinc/92/18/14/1091921814.db2.gz AMWPRBPLALDJBY-CQSZACIVSA-N 1 2 323.314 3.463 20 10 DGCDLO Cc1ccc(O)c(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001140624082 1091935996 /nfs/dbraw/zinc/93/59/96/1091935996.db2.gz FNKGROWWBVADOQ-INIZCTEOSA-N 1 2 310.388 3.006 20 10 DGCDLO Oc1ccc(O)c(C[N@H+](Cc2cccnc2)Cc2ccccn2)c1 ZINC001141158932 1092155881 /nfs/dbraw/zinc/15/58/81/1092155881.db2.gz SBVBNCVUZNRGSV-UHFFFAOYSA-N 1 2 321.380 3.090 20 10 DGCDLO Oc1ccc(O)c(C[N@@H+](Cc2cccnc2)Cc2ccccn2)c1 ZINC001141158932 1092155884 /nfs/dbraw/zinc/15/58/84/1092155884.db2.gz SBVBNCVUZNRGSV-UHFFFAOYSA-N 1 2 321.380 3.090 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001142531447 1092496883 /nfs/dbraw/zinc/49/68/83/1092496883.db2.gz XRWDAUHXILWCGB-MRXNPFEDSA-N 1 2 311.372 3.452 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001142531447 1092496894 /nfs/dbraw/zinc/49/68/94/1092496894.db2.gz XRWDAUHXILWCGB-MRXNPFEDSA-N 1 2 311.372 3.452 20 10 DGCDLO Oc1c(CN2CC[NH2+]CC(F)(F)C2)cccc1-c1ccccc1 ZINC001211347580 1093467132 /nfs/dbraw/zinc/46/71/32/1093467132.db2.gz PYKYYRLBDMRYFE-UHFFFAOYSA-N 1 2 318.367 3.100 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)[C@H](C)CO1 ZINC000403839924 1094187239 /nfs/dbraw/zinc/18/72/39/1094187239.db2.gz SGZROYZOKZFVJK-MFKMUULPSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)[C@H](C)CO1 ZINC000403839924 1094187242 /nfs/dbraw/zinc/18/72/42/1094187242.db2.gz SGZROYZOKZFVJK-MFKMUULPSA-N 1 2 314.223 3.154 20 10 DGCDLO CNc1ccc(NCc2cc(Br)ccc2O)c[nH+]1 ZINC001171178188 1095647604 /nfs/dbraw/zinc/64/76/04/1095647604.db2.gz SJOVGCWIWRLCPH-UHFFFAOYSA-N 1 2 308.179 3.204 20 10 DGCDLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC001117066787 1095711334 /nfs/dbraw/zinc/71/13/34/1095711334.db2.gz UYGPBJLFXBOALW-UHFFFAOYSA-N 1 2 300.406 3.003 20 10 DGCDLO Oc1cccc(F)c1C[N@@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001137840330 1095758380 /nfs/dbraw/zinc/75/83/80/1095758380.db2.gz XSCQZMUSHHTZJM-UHFFFAOYSA-N 1 2 323.371 3.275 20 10 DGCDLO Oc1cccc(F)c1C[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001137840330 1095758392 /nfs/dbraw/zinc/75/83/92/1095758392.db2.gz XSCQZMUSHHTZJM-UHFFFAOYSA-N 1 2 323.371 3.275 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccncc3)C2)cc1Cl ZINC001231869953 1097869403 /nfs/dbraw/zinc/86/94/03/1097869403.db2.gz BVQNDPNBBKNLPA-QGZVFWFLSA-N 1 2 318.804 3.323 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccncc3)C2)cc1Cl ZINC001231869953 1097869413 /nfs/dbraw/zinc/86/94/13/1097869413.db2.gz BVQNDPNBBKNLPA-QGZVFWFLSA-N 1 2 318.804 3.323 20 10 DGCDLO C[C@]1(CO)CC(F)(F)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879487 1097877823 /nfs/dbraw/zinc/87/78/23/1097877823.db2.gz FFKDQZQWTMKRJL-MRXNPFEDSA-N 1 2 307.340 3.137 20 10 DGCDLO C[C@]1(CO)CC(F)(F)C[N@H+]1Cc1ccc2ccccc2c1O ZINC001231879487 1097877828 /nfs/dbraw/zinc/87/78/28/1097877828.db2.gz FFKDQZQWTMKRJL-MRXNPFEDSA-N 1 2 307.340 3.137 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@@]1(O)C(F)(F)F ZINC001231909950 1097888499 /nfs/dbraw/zinc/88/84/99/1097888499.db2.gz UIRXCYTWCUDICZ-RNCFNFMXSA-N 1 2 323.742 3.181 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@@]1(O)C(F)(F)F ZINC001231909950 1097888506 /nfs/dbraw/zinc/88/85/06/1097888506.db2.gz UIRXCYTWCUDICZ-RNCFNFMXSA-N 1 2 323.742 3.181 20 10 DGCDLO Oc1c(Cl)cccc1C[NH+]1CC2(C1)CC(F)(F)CS2 ZINC001231912681 1097890583 /nfs/dbraw/zinc/89/05/83/1097890583.db2.gz RYBCPXOOUIRLMH-UHFFFAOYSA-N 1 2 305.777 3.372 20 10 DGCDLO CC[N@H+](CCN1CCCCC1)Cc1cc(Cl)c(O)cc1O ZINC001232262768 1097984462 /nfs/dbraw/zinc/98/44/62/1097984462.db2.gz PCFCWLKPCAGAHR-UHFFFAOYSA-N 1 2 312.841 3.059 20 10 DGCDLO CC[N@@H+](CCN1CCCCC1)Cc1cc(Cl)c(O)cc1O ZINC001232262768 1097984466 /nfs/dbraw/zinc/98/44/66/1097984466.db2.gz PCFCWLKPCAGAHR-UHFFFAOYSA-N 1 2 312.841 3.059 20 10 DGCDLO Oc1cc(O)c(C[NH+]2CC3(C2)CC(F)(F)CS3)cc1Cl ZINC001232262792 1097984853 /nfs/dbraw/zinc/98/48/53/1097984853.db2.gz QGONGFVUBYCKTH-UHFFFAOYSA-N 1 2 321.776 3.078 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCc3ncccc3C2)cc1Cl ZINC001232270220 1097988152 /nfs/dbraw/zinc/98/81/52/1097988152.db2.gz YTVXSQPSRNXQPK-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCc3ncccc3C2)cc1Cl ZINC001232270220 1097988155 /nfs/dbraw/zinc/98/81/55/1097988155.db2.gz YTVXSQPSRNXQPK-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO CN(C)c1ccc(C[N@H+](C)Cc2ccc(F)c(O)c2F)cc1 ZINC001232939723 1098177309 /nfs/dbraw/zinc/17/73/09/1098177309.db2.gz LAJMCMADWSNQHC-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(F)c(O)c2F)cc1 ZINC001232939723 1098177315 /nfs/dbraw/zinc/17/73/15/1098177315.db2.gz LAJMCMADWSNQHC-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO Oc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)cc(O)c1O ZINC001233013384 1098204444 /nfs/dbraw/zinc/20/44/44/1098204444.db2.gz QAHABYKECYBKIX-CQSZACIVSA-N 1 2 303.333 3.280 20 10 DGCDLO Oc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2F)cc(O)c1O ZINC001233013384 1098204451 /nfs/dbraw/zinc/20/44/51/1098204451.db2.gz QAHABYKECYBKIX-CQSZACIVSA-N 1 2 303.333 3.280 20 10 DGCDLO Oc1c(C[NH+]2CCC(Oc3ccccn3)CC2)ccc(F)c1F ZINC001233077347 1098219780 /nfs/dbraw/zinc/21/97/80/1098219780.db2.gz KJCNNYAWTQRPDY-UHFFFAOYSA-N 1 2 320.339 3.109 20 10 DGCDLO CCOC(=O)c1c(C[N@@H+]2CCC[C@@H](F)C2)c2ccccc2n1C ZINC001233272761 1098270333 /nfs/dbraw/zinc/27/03/33/1098270333.db2.gz ZPAARRVJESVEKT-CYBMUJFWSA-N 1 2 318.392 3.289 20 10 DGCDLO CCOC(=O)c1c(C[N@H+]2CCC[C@@H](F)C2)c2ccccc2n1C ZINC001233272761 1098270339 /nfs/dbraw/zinc/27/03/39/1098270339.db2.gz ZPAARRVJESVEKT-CYBMUJFWSA-N 1 2 318.392 3.289 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CCCC1=O ZINC001233415738 1098323005 /nfs/dbraw/zinc/32/30/05/1098323005.db2.gz HFBZOJPISOVMSK-SNVBAGLBSA-N 1 2 301.308 3.212 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCCC1=O ZINC001233415738 1098323011 /nfs/dbraw/zinc/32/30/11/1098323011.db2.gz HFBZOJPISOVMSK-SNVBAGLBSA-N 1 2 301.308 3.212 20 10 DGCDLO Oc1c(C[N@@H+]2CCc3ncsc3C2)cccc1C(F)(F)F ZINC001233418546 1098324700 /nfs/dbraw/zinc/32/47/00/1098324700.db2.gz LRJRGBFOBYDIMV-UHFFFAOYSA-N 1 2 314.332 3.426 20 10 DGCDLO Oc1c(C[N@H+]2CCc3ncsc3C2)cccc1C(F)(F)F ZINC001233418546 1098324709 /nfs/dbraw/zinc/32/47/09/1098324709.db2.gz LRJRGBFOBYDIMV-UHFFFAOYSA-N 1 2 314.332 3.426 20 10 DGCDLO Cn1ncc2c1C[N@H+](Cc1cccc(-c3ccccc3)c1O)C2 ZINC001234996690 1098741454 /nfs/dbraw/zinc/74/14/54/1098741454.db2.gz MMCXAKXIZFZZMK-UHFFFAOYSA-N 1 2 305.381 3.309 20 10 DGCDLO Cn1ncc2c1C[N@@H+](Cc1cccc(-c3ccccc3)c1O)C2 ZINC001234996690 1098741467 /nfs/dbraw/zinc/74/14/67/1098741467.db2.gz MMCXAKXIZFZZMK-UHFFFAOYSA-N 1 2 305.381 3.309 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1c(F)cncc1F ZINC001178688953 1098909015 /nfs/dbraw/zinc/90/90/15/1098909015.db2.gz PJCPIWCUDVZIDR-SSDOTTSWSA-N 1 2 300.255 3.194 20 10 DGCDLO C[C@]1(CF)CC[N@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235299484 1098949249 /nfs/dbraw/zinc/94/92/49/1098949249.db2.gz VHCZCBLERGDPFR-CYBMUJFWSA-N 1 2 320.177 3.475 20 10 DGCDLO C[C@]1(CF)CC[N@@H+](Cc2cc(F)cc(Br)c2O)C1 ZINC001235299484 1098949258 /nfs/dbraw/zinc/94/92/58/1098949258.db2.gz VHCZCBLERGDPFR-CYBMUJFWSA-N 1 2 320.177 3.475 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001235303075 1098951320 /nfs/dbraw/zinc/95/13/20/1098951320.db2.gz ZWLIZEGBRMNKNP-VIRWGQHYSA-N 1 2 318.161 3.226 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001235303075 1098951328 /nfs/dbraw/zinc/95/13/28/1098951328.db2.gz ZWLIZEGBRMNKNP-VIRWGQHYSA-N 1 2 318.161 3.226 20 10 DGCDLO Oc1c(Cl)cc(F)cc1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235864697 1099225749 /nfs/dbraw/zinc/22/57/49/1099225749.db2.gz UNFBQKWOAJGXLH-MRXNPFEDSA-N 1 2 320.795 3.331 20 10 DGCDLO CN(C)c1ccc(/C=C/C(=O)NCc2c[nH+]cn2C2CCC2)cc1 ZINC001180130686 1099309102 /nfs/dbraw/zinc/30/91/02/1099309102.db2.gz WBJSTBCHZCMSOM-DHZHZOJOSA-N 1 2 324.428 3.004 20 10 DGCDLO Nc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001236234829 1099487628 /nfs/dbraw/zinc/48/76/28/1099487628.db2.gz SHLHJXDEMDBNIZ-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO Nc1ccc2c(c1)C[N@H+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001236234829 1099487640 /nfs/dbraw/zinc/48/76/40/1099487640.db2.gz SHLHJXDEMDBNIZ-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC001236266340 1099508652 /nfs/dbraw/zinc/50/86/52/1099508652.db2.gz PVKTUJXORYBXMR-OAHLLOKOSA-N 1 2 312.413 3.395 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC001236266340 1099508663 /nfs/dbraw/zinc/50/86/63/1099508663.db2.gz PVKTUJXORYBXMR-OAHLLOKOSA-N 1 2 312.413 3.395 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2ccno2)c1 ZINC001236671458 1099737393 /nfs/dbraw/zinc/73/73/93/1099737393.db2.gz VNMPVSSVKUGPRS-UHFFFAOYSA-N 1 2 311.179 3.083 20 10 DGCDLO CCc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c(O)c1 ZINC001236788889 1099784939 /nfs/dbraw/zinc/78/49/39/1099784939.db2.gz SFBAIBGTAHZERD-QGZVFWFLSA-N 1 2 324.415 3.260 20 10 DGCDLO CCc1ccc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(O)c1 ZINC001236788887 1099785406 /nfs/dbraw/zinc/78/54/06/1099785406.db2.gz SFBAIBGTAHZERD-KRWDZBQOSA-N 1 2 324.415 3.260 20 10 DGCDLO Cc1[nH+]cc2n1CCN(Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236790545 1099785953 /nfs/dbraw/zinc/78/59/53/1099785953.db2.gz PXGYEERXPPANJL-UHFFFAOYSA-N 1 2 312.200 3.220 20 10 DGCDLO CCN(CC[NH+](CC)CC)Cc1ccc(OC)c(Cl)c1O ZINC001236813517 1099803434 /nfs/dbraw/zinc/80/34/34/1099803434.db2.gz NXXUNRUVOVEVQJ-UHFFFAOYSA-N 1 2 314.857 3.218 20 10 DGCDLO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCc2ccncc2C1 ZINC001237124124 1099983509 /nfs/dbraw/zinc/98/35/09/1099983509.db2.gz XTHAQRSSFITJNP-UHFFFAOYSA-N 1 2 324.302 3.244 20 10 DGCDLO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCc2ccncc2C1 ZINC001237124124 1099983520 /nfs/dbraw/zinc/98/35/20/1099983520.db2.gz XTHAQRSSFITJNP-UHFFFAOYSA-N 1 2 324.302 3.244 20 10 DGCDLO Oc1ccc(F)c(Cl)c1C[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001237127528 1099983712 /nfs/dbraw/zinc/98/37/12/1099983712.db2.gz CJIXJMIAOYWCNE-MRVPVSSYSA-N 1 2 305.777 3.214 20 10 DGCDLO Oc1ccc(F)c(Cl)c1C[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001237127530 1099984334 /nfs/dbraw/zinc/98/43/34/1099984334.db2.gz CJIXJMIAOYWCNE-QMMMGPOBSA-N 1 2 305.777 3.214 20 10 DGCDLO CCOCc1cnc2n1CC[N@@H+](Cc1c(C)cccc1O)[C@H]2C ZINC001237486159 1100139316 /nfs/dbraw/zinc/13/93/16/1100139316.db2.gz OQTQUSWRSXBGTG-AWEZNQCLSA-N 1 2 315.417 3.010 20 10 DGCDLO CCOCc1cnc2n1CC[N@H+](Cc1c(C)cccc1O)[C@H]2C ZINC001237486159 1100139318 /nfs/dbraw/zinc/13/93/18/1100139318.db2.gz OQTQUSWRSXBGTG-AWEZNQCLSA-N 1 2 315.417 3.010 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCCC(=O)CC2)cc1Br ZINC001237678807 1100212177 /nfs/dbraw/zinc/21/21/77/1100212177.db2.gz CQTGBYMZUAYBGR-UHFFFAOYSA-N 1 2 312.207 3.018 20 10 DGCDLO C[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237616799 1100189568 /nfs/dbraw/zinc/18/95/68/1100189568.db2.gz HPHJTTDEVCUADX-OAHLLOKOSA-N 1 2 301.789 3.169 20 10 DGCDLO C[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237616799 1100189585 /nfs/dbraw/zinc/18/95/85/1100189585.db2.gz HPHJTTDEVCUADX-OAHLLOKOSA-N 1 2 301.789 3.169 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3ccncc3)C2)c1O ZINC001237688851 1100214732 /nfs/dbraw/zinc/21/47/32/1100214732.db2.gz JVBLNDHWIQVAFM-MRXNPFEDSA-N 1 2 318.804 3.323 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3ccncc3)C2)c1O ZINC001237688851 1100214738 /nfs/dbraw/zinc/21/47/38/1100214738.db2.gz JVBLNDHWIQVAFM-MRXNPFEDSA-N 1 2 318.804 3.323 20 10 DGCDLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1cc(F)c(Cl)cc1O ZINC001237940442 1100298266 /nfs/dbraw/zinc/29/82/66/1100298266.db2.gz KZVCMACZNOCXNS-XPTSAGLGSA-N 1 2 317.788 3.204 20 10 DGCDLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1cc(F)c(Cl)cc1O ZINC001237940442 1100298268 /nfs/dbraw/zinc/29/82/68/1100298268.db2.gz KZVCMACZNOCXNS-XPTSAGLGSA-N 1 2 317.788 3.204 20 10 DGCDLO Oc1ccc2c(c1)CC[N@@H+](Cc1cc(F)c(Cl)cc1O)C2 ZINC001237939673 1100298604 /nfs/dbraw/zinc/29/86/04/1100298604.db2.gz ZSXSLYAAMHJTLJ-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Oc1ccc2c(c1)CC[N@H+](Cc1cc(F)c(Cl)cc1O)C2 ZINC001237939673 1100298615 /nfs/dbraw/zinc/29/86/15/1100298615.db2.gz ZSXSLYAAMHJTLJ-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO COC(=O)C[N@H+](Cc1cc(F)c(Cl)cc1O)C1CCCC1 ZINC001237949932 1100301185 /nfs/dbraw/zinc/30/11/85/1100301185.db2.gz PAKBMICOCFXVAK-UHFFFAOYSA-N 1 2 315.772 3.102 20 10 DGCDLO COC(=O)C[N@@H+](Cc1cc(F)c(Cl)cc1O)C1CCCC1 ZINC001237949932 1100301193 /nfs/dbraw/zinc/30/11/93/1100301193.db2.gz PAKBMICOCFXVAK-UHFFFAOYSA-N 1 2 315.772 3.102 20 10 DGCDLO Cc1cc(F)cc(C[N@@H+]2CCc3nc(Cl)ccc3C2)c1O ZINC001238061914 1100345660 /nfs/dbraw/zinc/34/56/60/1100345660.db2.gz LJRIUKZAOPDGLQ-UHFFFAOYSA-N 1 2 306.768 3.446 20 10 DGCDLO Cc1cc(F)cc(C[N@H+]2CCc3nc(Cl)ccc3C2)c1O ZINC001238061914 1100345668 /nfs/dbraw/zinc/34/56/68/1100345668.db2.gz LJRIUKZAOPDGLQ-UHFFFAOYSA-N 1 2 306.768 3.446 20 10 DGCDLO CC(C)(C)CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001202160641 1102865663 /nfs/dbraw/zinc/86/56/63/1102865663.db2.gz YGNXMAFQSJQZFV-GFCCVEGCSA-N 1 2 303.805 3.462 20 10 DGCDLO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000687976985 1103181614 /nfs/dbraw/zinc/18/16/14/1103181614.db2.gz WMRXMMDVTMCLJA-AWEZNQCLSA-N 1 2 314.223 3.156 20 10 DGCDLO CC[C@@]1(C)COCC[N@H+]1Cc1cc(Br)ccc1O ZINC000687976985 1103181620 /nfs/dbraw/zinc/18/16/20/1103181620.db2.gz WMRXMMDVTMCLJA-AWEZNQCLSA-N 1 2 314.223 3.156 20 10 DGCDLO Oc1c(F)ccc(F)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001275361949 1104736282 /nfs/dbraw/zinc/73/62/82/1104736282.db2.gz AAZVHHBGIHTXOX-OKILXGFUSA-N 1 2 322.399 3.262 20 10 DGCDLO Oc1c(F)ccc(F)c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001275361949 1104736289 /nfs/dbraw/zinc/73/62/89/1104736289.db2.gz AAZVHHBGIHTXOX-OKILXGFUSA-N 1 2 322.399 3.262 20 10 DGCDLO C[N@H+](Cc1ccon1)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252020 1105256687 /nfs/dbraw/zinc/25/66/87/1105256687.db2.gz FPXVORHAJZNBLZ-UHFFFAOYSA-N 1 2 300.358 3.196 20 10 DGCDLO C[N@@H+](Cc1ccon1)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252020 1105256688 /nfs/dbraw/zinc/25/66/88/1105256688.db2.gz FPXVORHAJZNBLZ-UHFFFAOYSA-N 1 2 300.358 3.196 20 10 DGCDLO Cc1cc(C[N@@H+]2CCC[C@H](F)C2)c(O)cc1Br ZINC001250129142 1105449553 /nfs/dbraw/zinc/44/95/53/1105449553.db2.gz YUNPZANCLARKKB-NSHDSACASA-N 1 2 302.187 3.397 20 10 DGCDLO Cc1cc(C[N@H+]2CCC[C@H](F)C2)c(O)cc1Br ZINC001250129142 1105449554 /nfs/dbraw/zinc/44/95/54/1105449554.db2.gz YUNPZANCLARKKB-NSHDSACASA-N 1 2 302.187 3.397 20 10 DGCDLO Cc1c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)nc2ccccn12 ZINC001137274242 1105469241 /nfs/dbraw/zinc/46/92/41/1105469241.db2.gz MEEMLYYJCMJOGY-UHFFFAOYSA-N 1 2 323.396 3.002 20 10 DGCDLO Cc1c(C[N@H+]2CCCc3cc(O)c(O)cc3C2)nc2ccccn12 ZINC001137274242 1105469243 /nfs/dbraw/zinc/46/92/43/1105469243.db2.gz MEEMLYYJCMJOGY-UHFFFAOYSA-N 1 2 323.396 3.002 20 10 DGCDLO CN(C)c1ccc2[nH]c(-c3ccc(N4CCOCC4)cc3)[nH+]c2c1 ZINC001250702448 1105563447 /nfs/dbraw/zinc/56/34/47/1105563447.db2.gz DBQKVRICSPDLRU-UHFFFAOYSA-N 1 2 322.412 3.133 20 10 DGCDLO CSCc1n[nH]c(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC001262077541 1107605414 /nfs/dbraw/zinc/60/54/14/1107605414.db2.gz GZFWGAJYIWFXNX-QWRGUYRKSA-N 1 2 318.446 3.020 20 10 DGCDLO CSCc1nnc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)[nH]1 ZINC001262077541 1107605424 /nfs/dbraw/zinc/60/54/24/1107605424.db2.gz GZFWGAJYIWFXNX-QWRGUYRKSA-N 1 2 318.446 3.020 20 10 DGCDLO OCC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1cccs1 ZINC001308277729 1111409249 /nfs/dbraw/zinc/40/92/49/1111409249.db2.gz NHIXYLLGLSDPIX-LBPRGKRZSA-N 1 2 315.797 3.460 20 10 DGCDLO COc1ccc(O)c(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC001308748000 1111470193 /nfs/dbraw/zinc/47/01/93/1111470193.db2.gz WJWWNHXSOBIMEK-UHFFFAOYSA-N 1 2 323.396 3.423 20 10 DGCDLO COc1ccc(O)c(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC001308748000 1111470195 /nfs/dbraw/zinc/47/01/95/1111470195.db2.gz WJWWNHXSOBIMEK-UHFFFAOYSA-N 1 2 323.396 3.423 20 10 DGCDLO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(F)c(F)c1O ZINC000278819972 299279971 /nfs/dbraw/zinc/27/99/71/299279971.db2.gz ODKPFYIQYPPNGB-NSHDSACASA-N 1 2 311.372 3.264 20 10 DGCDLO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1O ZINC000282220519 299285177 /nfs/dbraw/zinc/28/51/77/299285177.db2.gz HYEIPHBZNAWEJH-RLBGWGEZSA-N 1 2 322.257 3.261 20 10 DGCDLO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186541197 296004934 /nfs/dbraw/zinc/00/49/34/296004934.db2.gz VYZVAWLCCSCRKI-KEJSXXJDSA-N 1 2 310.246 3.117 20 10 DGCDLO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(F)c(F)c1O ZINC000191183562 299305342 /nfs/dbraw/zinc/30/53/42/299305342.db2.gz ACXLZIHDMWEBJO-GWCFXTLKSA-N 1 2 310.344 3.217 20 10 DGCDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180640949 432093609 /nfs/dbraw/zinc/09/36/09/432093609.db2.gz BRSMTQTYQLGGPA-CQSZACIVSA-N 1 2 305.809 3.289 20 10 DGCDLO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(F)c(F)c1O ZINC000191183610 296132623 /nfs/dbraw/zinc/13/26/23/296132623.db2.gz ACXLZIHDMWEBJO-ZWNOBZJWSA-N 1 2 310.344 3.217 20 10 DGCDLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(F)cc1O ZINC000273512991 130130550 /nfs/dbraw/zinc/13/05/50/130130550.db2.gz RZNLSGQAPVHSGM-XPTSAGLGSA-N 1 2 311.303 3.194 20 10 DGCDLO C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000285660384 131190422 /nfs/dbraw/zinc/19/04/22/131190422.db2.gz ZAZCSHQZJIAJPC-VHSXEESVSA-N 1 2 304.217 3.461 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cccc(Cl)c1O ZINC000286866564 131252865 /nfs/dbraw/zinc/25/28/65/131252865.db2.gz BLZWRRRPOOJURA-KBPBESRZSA-N 1 2 322.836 3.288 20 10 DGCDLO CC[C@@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1cccc(Cl)c1O ZINC000287069637 131261970 /nfs/dbraw/zinc/26/19/70/131261970.db2.gz NYXXMBCSKDPXGS-OAHLLOKOSA-N 1 2 320.820 3.294 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(F)c(F)c1O ZINC000290165760 287039249 /nfs/dbraw/zinc/03/92/49/287039249.db2.gz DMYMPRKNLQDJCW-MNOVXSKESA-N 1 2 305.324 3.497 20 10 DGCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000171679252 432160005 /nfs/dbraw/zinc/16/00/05/432160005.db2.gz QXDGHSZQJCCRFW-UHFFFAOYSA-N 1 2 322.412 3.063 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000133941706 227040784 /nfs/dbraw/zinc/04/07/84/227040784.db2.gz GQLWMSJRJUNRDV-ZDUSSCGKSA-N 1 2 315.244 3.369 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000182636151 228369027 /nfs/dbraw/zinc/36/90/27/228369027.db2.gz USYZMBOXLJPGEE-SWLSCSKDSA-N 1 2 313.850 3.190 20 10 DGCDLO COc1cccc(C[N@@H+]2CCSC[C@H]2c2nccs2)c1O ZINC000186645160 278010843 /nfs/dbraw/zinc/01/08/43/278010843.db2.gz WBSAOZXLKGOWME-LBPRGKRZSA-N 1 2 322.455 3.147 20 10 DGCDLO COc1cccc(C[N@H+]2CCSC[C@H]2c2nccs2)c1O ZINC000186645160 278010845 /nfs/dbraw/zinc/01/08/45/278010845.db2.gz WBSAOZXLKGOWME-LBPRGKRZSA-N 1 2 322.455 3.147 20 10 DGCDLO CC[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1nccs1 ZINC000152626153 432345782 /nfs/dbraw/zinc/34/57/82/432345782.db2.gz HFCYAKYVMHYFLV-CQSZACIVSA-N 1 2 307.375 3.172 20 10 DGCDLO Cc1cccc(C[N@H+](C)Cc2nccn2CC(F)(F)F)c1O ZINC000271710511 432421605 /nfs/dbraw/zinc/42/16/05/432421605.db2.gz GTJZQBSQUPPIRY-UHFFFAOYSA-N 1 2 313.323 3.091 20 10 DGCDLO Cc1cccc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)c1O ZINC000271710511 432421608 /nfs/dbraw/zinc/42/16/08/432421608.db2.gz GTJZQBSQUPPIRY-UHFFFAOYSA-N 1 2 313.323 3.091 20 10 DGCDLO CCOc1cccc(C[N@H+](C)Cc2nccn2C(F)F)c1O ZINC000154991913 432533450 /nfs/dbraw/zinc/53/34/50/432533450.db2.gz NCVKWAYEDGKTPA-UHFFFAOYSA-N 1 2 311.332 3.015 20 10 DGCDLO CCOc1cccc(C[N@@H+](C)Cc2nccn2C(F)F)c1O ZINC000154991913 432533454 /nfs/dbraw/zinc/53/34/54/432533454.db2.gz NCVKWAYEDGKTPA-UHFFFAOYSA-N 1 2 311.332 3.015 20 10 DGCDLO CC(C)c1nnc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000263788277 432577536 /nfs/dbraw/zinc/57/75/36/432577536.db2.gz QESYFXWPBHQAFN-UHFFFAOYSA-N 1 2 314.433 3.424 20 10 DGCDLO CC(C)c1nnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000263788277 432577538 /nfs/dbraw/zinc/57/75/38/432577538.db2.gz QESYFXWPBHQAFN-UHFFFAOYSA-N 1 2 314.433 3.424 20 10 DGCDLO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(F)c(F)c1O ZINC000276863154 432826512 /nfs/dbraw/zinc/82/65/12/432826512.db2.gz CUSZUTFHNAUYTG-XHDPSFHLSA-N 1 2 307.340 3.445 20 10 DGCDLO C[C@@H]([NH2+]Cc1nccn1C)c1cc(Cl)c(Cl)cc1O ZINC000278629039 432898181 /nfs/dbraw/zinc/89/81/81/432898181.db2.gz GRRKBXGQPRLKIN-MRVPVSSYSA-N 1 2 300.189 3.283 20 10 DGCDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000289800598 432974296 /nfs/dbraw/zinc/97/42/96/432974296.db2.gz MTQJSKGFYFAFFT-MRXNPFEDSA-N 1 2 318.396 3.310 20 10 DGCDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000289800598 432974299 /nfs/dbraw/zinc/97/42/99/432974299.db2.gz MTQJSKGFYFAFFT-MRXNPFEDSA-N 1 2 318.396 3.310 20 10 DGCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)no1 ZINC000290113711 432994847 /nfs/dbraw/zinc/99/48/47/432994847.db2.gz IWZZQKZJWYZALU-VXGBXAGGSA-N 1 2 305.378 3.032 20 10 DGCDLO Fc1cc(F)c(C[NH2+]Cc2ccc3c(c2)CCO3)c(F)c1F ZINC000281719746 433358604 /nfs/dbraw/zinc/35/86/04/433358604.db2.gz QOQZFUWXIJFWOO-UHFFFAOYSA-N 1 2 311.278 3.468 20 10 DGCDLO Cc1cc(C[N@H+](C)Cc2ncc(Cl)n2C)ccc1N(C)C ZINC000294372770 434109759 /nfs/dbraw/zinc/10/97/59/434109759.db2.gz BAYKQMULYVSHEL-UHFFFAOYSA-N 1 2 306.841 3.080 20 10 DGCDLO Cc1cc(C[N@@H+](C)Cc2ncc(Cl)n2C)ccc1N(C)C ZINC000294372770 434109773 /nfs/dbraw/zinc/10/97/73/434109773.db2.gz BAYKQMULYVSHEL-UHFFFAOYSA-N 1 2 306.841 3.080 20 10 DGCDLO COc1ccc([NH+]2CCC(Nc3ccc(F)nc3)CC2)cc1 ZINC000370084815 434607162 /nfs/dbraw/zinc/60/71/62/434607162.db2.gz ZDVNFQWZSUSNML-UHFFFAOYSA-N 1 2 301.365 3.310 20 10 DGCDLO C[S@@](=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000280618981 300878743 /nfs/dbraw/zinc/87/87/43/300878743.db2.gz KVKTVTMHIPYJSM-LJQANCHMSA-N 1 2 322.257 3.090 20 10 DGCDLO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187731353 333236744 /nfs/dbraw/zinc/23/67/44/333236744.db2.gz JWSPEMQYXZNBMM-GXTWGEPZSA-N 1 2 321.367 3.487 20 10 DGCDLO COc1ccc([NH+]2CCC(Nc3nc(C)cnc3C)CC2)cc1 ZINC000302205499 336353909 /nfs/dbraw/zinc/35/39/09/336353909.db2.gz CZSFQOJQXHJOEO-UHFFFAOYSA-N 1 2 312.417 3.183 20 10 DGCDLO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(Cl)c(Cl)c1O ZINC000185639432 533892196 /nfs/dbraw/zinc/89/21/96/533892196.db2.gz TWYFLIYVLBGTQU-SDBXPKJASA-N 1 2 322.257 3.218 20 10 DGCDLO COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2O)cc1 ZINC000191194189 525377279 /nfs/dbraw/zinc/37/72/79/525377279.db2.gz AHRQGJOESOYABK-MEBBXXQBSA-N 1 2 323.339 3.063 20 10 DGCDLO C[S@](=O)C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000182099807 525387520 /nfs/dbraw/zinc/38/75/20/525387520.db2.gz IJYKAEOPHJBUSM-VFNWGFHPSA-N 1 2 323.845 3.255 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1O ZINC000191181680 525530765 /nfs/dbraw/zinc/53/07/65/525530765.db2.gz APDJNVCQKIHKQV-SECBINFHSA-N 1 2 307.296 3.250 20 10 DGCDLO C[NH+](C)[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1Cl ZINC000732257026 574570125 /nfs/dbraw/zinc/57/01/25/574570125.db2.gz BPKRCYIALDLRRH-ZDUSSCGKSA-N 1 2 324.833 3.140 20 10 DGCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@H]2CSc3ccccc32)c1 ZINC000735509430 574704061 /nfs/dbraw/zinc/70/40/61/574704061.db2.gz ZRIYCUOFLDBRCX-CYBMUJFWSA-N 1 2 302.355 3.237 20 10 DGCDLO C[C@H](Cc1cnccn1)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000725849768 575931706 /nfs/dbraw/zinc/93/17/06/575931706.db2.gz XFZVDRHYNUJLQO-SECBINFHSA-N 1 2 312.200 3.210 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1O ZINC000806161953 617632257 /nfs/dbraw/zinc/63/22/57/617632257.db2.gz PSUSJKMNNIKJIK-RNCFNFMXSA-N 1 2 321.812 3.169 20 10 DGCDLO CC[C@@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1O ZINC000806161952 617632290 /nfs/dbraw/zinc/63/22/90/617632290.db2.gz PSUSJKMNNIKJIK-NOZJJQNGSA-N 1 2 321.812 3.169 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000894793798 618462340 /nfs/dbraw/zinc/46/23/40/618462340.db2.gz IWQQSMGBEFODSE-ZBFHGGJFSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000894793798 618462342 /nfs/dbraw/zinc/46/23/42/618462342.db2.gz IWQQSMGBEFODSE-ZBFHGGJFSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000895621822 618808382 /nfs/dbraw/zinc/80/83/82/618808382.db2.gz AGQRSZGINJEARR-UHFFFAOYSA-N 1 2 307.756 3.144 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]CCc1nc2c(s1)CCC2 ZINC000896841079 618968288 /nfs/dbraw/zinc/96/82/88/618968288.db2.gz IPSZKHMBRVQQLJ-UHFFFAOYSA-N 1 2 308.834 3.323 20 10 DGCDLO CCO[C@]12CCC[C@@]1([NH2+]Cc1cccc(Cl)c1O)CCO2 ZINC000897974521 619196941 /nfs/dbraw/zinc/19/69/41/619196941.db2.gz LAGORUOZVOGCEL-CVEARBPZSA-N 1 2 311.809 3.211 20 10 DGCDLO Cn1c(Cl)nc(Cl)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000898219649 619222729 /nfs/dbraw/zinc/22/27/29/619222729.db2.gz IUEUMQZVHKEICF-UHFFFAOYSA-N 1 2 320.607 3.376 20 10 DGCDLO Cc1ncccc1CC[NH2+]Cc1cccc(Br)c1O ZINC000898257425 619233075 /nfs/dbraw/zinc/23/30/75/619233075.db2.gz VLMCTEOWIUVVAC-UHFFFAOYSA-N 1 2 321.218 3.190 20 10 DGCDLO CN(C)c1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1F ZINC000921622466 620916599 /nfs/dbraw/zinc/91/65/99/620916599.db2.gz DQLGLBPFUYVWNQ-UHFFFAOYSA-N 1 2 305.397 3.467 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000922578037 621059694 /nfs/dbraw/zinc/05/96/94/621059694.db2.gz GPSPZUYWZHPVNJ-AWEZNQCLSA-N 1 2 307.756 3.216 20 10 DGCDLO COC[C@H](C[NH2+]Cc1cccc(Br)c1O)C(C)C ZINC000922949687 621136635 /nfs/dbraw/zinc/13/66/35/621136635.db2.gz PIRWGCDBKYXRTD-LBPRGKRZSA-N 1 2 316.239 3.163 20 10 DGCDLO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2cnn[nH]2)cc1 ZINC000858198661 621164332 /nfs/dbraw/zinc/16/43/32/621164332.db2.gz PZWSHHHPEWSEJZ-UHFFFAOYSA-N 1 2 321.428 3.121 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cc(F)cc(F)c1O ZINC000858479074 621196178 /nfs/dbraw/zinc/19/61/78/621196178.db2.gz IFBSTKXROTUVLQ-GXSJLCMTSA-N 1 2 320.330 3.051 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cc(F)cc(F)c1O ZINC000858531325 621202477 /nfs/dbraw/zinc/20/24/77/621202477.db2.gz DKSIKNPMKOAAHE-SMDDNHRTSA-N 1 2 310.388 3.338 20 10 DGCDLO CC[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cccc(Cl)c1O ZINC000806139565 621390631 /nfs/dbraw/zinc/39/06/31/621390631.db2.gz PRPWBNZACDWTJE-DOMZBBRYSA-N 1 2 313.825 3.139 20 10 DGCDLO C[C@@H]1C[C@H](CC[NH2+]Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000753584949 621451294 /nfs/dbraw/zinc/45/12/94/621451294.db2.gz CHBUOWKDFMUUJA-GHMZBOCLSA-N 1 2 301.789 3.480 20 10 DGCDLO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1F ZINC000862309215 621573744 /nfs/dbraw/zinc/57/37/44/621573744.db2.gz NJRYRCFGNFYKSY-NSHDSACASA-N 1 2 320.330 3.234 20 10 DGCDLO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](OC(F)F)C2)cc1F ZINC000862309215 621573746 /nfs/dbraw/zinc/57/37/46/621573746.db2.gz NJRYRCFGNFYKSY-NSHDSACASA-N 1 2 320.330 3.234 20 10 DGCDLO CC(C)[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)N1CCCC1 ZINC000756398188 621635537 /nfs/dbraw/zinc/63/55/37/621635537.db2.gz CUJBYOIOEBKIDN-WBMJQRKESA-N 1 2 312.404 3.441 20 10 DGCDLO CCOCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000756416554 621637168 /nfs/dbraw/zinc/63/71/68/621637168.db2.gz HUOIJOODFJWYCG-QMMMGPOBSA-N 1 2 322.630 3.495 20 10 DGCDLO CCOCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000756416553 621637270 /nfs/dbraw/zinc/63/72/70/621637270.db2.gz HUOIJOODFJWYCG-MRVPVSSYSA-N 1 2 322.630 3.495 20 10 DGCDLO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756460793 621640171 /nfs/dbraw/zinc/64/01/71/621640171.db2.gz SYFHVLYZZDDQNB-AGIUHOORSA-N 1 2 312.404 3.441 20 10 DGCDLO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756488228 621641525 /nfs/dbraw/zinc/64/15/25/621641525.db2.gz MAVWFVFMIUOPOY-YUMQZZPRSA-N 1 2 313.266 3.288 20 10 DGCDLO CO[C@H](C)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756526985 621644872 /nfs/dbraw/zinc/64/48/72/621644872.db2.gz IPHCPXLLRDQBMP-RKDXNWHRSA-N 1 2 320.202 3.369 20 10 DGCDLO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756563009 621649167 /nfs/dbraw/zinc/64/91/67/621649167.db2.gz KXGMJTGNTKLQFY-HWPZZCPQSA-N 1 2 323.339 3.063 20 10 DGCDLO Cc1cccc2nc(C[NH2+][C@H](C)c3cc(F)cc(F)c3O)cn21 ZINC000756565715 621649626 /nfs/dbraw/zinc/64/96/26/621649626.db2.gz YMXKUHGAQYAEQK-LLVKDONJSA-N 1 2 317.339 3.477 20 10 DGCDLO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(F)cc(F)c1O ZINC000756603775 621652243 /nfs/dbraw/zinc/65/22/43/621652243.db2.gz KWGWBVKZRQJPMP-BJOHPYRUSA-N 1 2 313.369 3.290 20 10 DGCDLO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756605667 621652266 /nfs/dbraw/zinc/65/22/66/621652266.db2.gz ULBZUUQNYVEZAD-JSGCOSHPSA-N 1 2 321.367 3.487 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(F)cc(F)c1O ZINC000756787785 621664916 /nfs/dbraw/zinc/66/49/16/621664916.db2.gz RTODRVPFEFIGSK-ZYHUDNBSSA-N 1 2 313.344 3.007 20 10 DGCDLO COc1cc(O)c(C[NH2+]CC(F)(F)c2ccccc2)cc1OC ZINC000789581077 625528580 /nfs/dbraw/zinc/52/85/80/625528580.db2.gz OCJADGUFTVDTIE-UHFFFAOYSA-N 1 2 323.339 3.291 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1cc(F)cc(F)c1O ZINC000866425263 622115730 /nfs/dbraw/zinc/11/57/30/622115730.db2.gz KQZQORZATNWFNM-WDEREUQCSA-N 1 2 315.360 3.110 20 10 DGCDLO Cc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)c(C)c[nH+]1 ZINC000767941617 622429542 /nfs/dbraw/zinc/42/95/42/622429542.db2.gz FAUOVPCAGATMFW-UHFFFAOYSA-N 1 2 324.428 3.042 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2CN1)c1cc(F)cc(F)c1O ZINC000873294269 623106515 /nfs/dbraw/zinc/10/65/15/623106515.db2.gz RKNXCPCNVQIDGD-IAQYHMDHSA-N 1 2 318.367 3.036 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1Cc2ccccc2CN1)c1cc(F)cc(F)c1O ZINC000873294271 623106951 /nfs/dbraw/zinc/10/69/51/623106951.db2.gz RKNXCPCNVQIDGD-XHDPSFHLSA-N 1 2 318.367 3.036 20 10 DGCDLO Cc1cc(Br)cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1O ZINC000124497860 623127823 /nfs/dbraw/zinc/12/78/23/623127823.db2.gz DAEITPCETJIOSP-GHMZBOCLSA-N 1 2 314.223 3.072 20 10 DGCDLO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775659458 623307315 /nfs/dbraw/zinc/30/73/15/623307315.db2.gz WZHZTJYULCFJGO-ZDUSSCGKSA-N 1 2 305.805 3.429 20 10 DGCDLO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775659458 623307319 /nfs/dbraw/zinc/30/73/19/623307319.db2.gz WZHZTJYULCFJGO-ZDUSSCGKSA-N 1 2 305.805 3.429 20 10 DGCDLO COC(=O)C[N@H+](Cc1cc(Cl)cc(F)c1O)C1CCCC1 ZINC000775726847 623320032 /nfs/dbraw/zinc/32/00/32/623320032.db2.gz YPNHSONBZVDYFX-UHFFFAOYSA-N 1 2 315.772 3.102 20 10 DGCDLO COC(=O)C[N@@H+](Cc1cc(Cl)cc(F)c1O)C1CCCC1 ZINC000775726847 623320035 /nfs/dbraw/zinc/32/00/35/623320035.db2.gz YPNHSONBZVDYFX-UHFFFAOYSA-N 1 2 315.772 3.102 20 10 DGCDLO CN(C)[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccco1 ZINC000775797877 623333253 /nfs/dbraw/zinc/33/32/53/623333253.db2.gz CRLHWMNBBYIUNU-CYBMUJFWSA-N 1 2 312.772 3.170 20 10 DGCDLO CC(C)Cc1noc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775833966 623339800 /nfs/dbraw/zinc/33/98/00/623339800.db2.gz IWPOGYZHSCXABX-CYBMUJFWSA-N 1 2 302.422 3.185 20 10 DGCDLO OC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(F)cc1 ZINC000776175650 623390137 /nfs/dbraw/zinc/39/01/37/623390137.db2.gz WDXFDWWMUHPHNI-CQSZACIVSA-N 1 2 313.731 3.147 20 10 DGCDLO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776222397 623399076 /nfs/dbraw/zinc/39/90/76/623399076.db2.gz KPCCOSCWTILRIO-UHFFFAOYSA-N 1 2 317.788 3.396 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000776253944 623401616 /nfs/dbraw/zinc/40/16/16/623401616.db2.gz XSYRUPKYNUSZON-KRWDZBQOSA-N 1 2 321.779 3.108 20 10 DGCDLO Cc1cc(O)c(C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C)cc1C ZINC000776251347 623401989 /nfs/dbraw/zinc/40/19/89/623401989.db2.gz BUHNBSVMEVQTDI-INIZCTEOSA-N 1 2 307.434 3.465 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCCc1nccs1 ZINC000777485340 623530741 /nfs/dbraw/zinc/53/07/41/623530741.db2.gz VACMSIPQKWPDTI-UHFFFAOYSA-N 1 2 300.786 3.364 20 10 DGCDLO CC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(Cl)c1O ZINC000806147980 623612959 /nfs/dbraw/zinc/61/29/59/623612959.db2.gz BRPSNXCNBWVZDV-JXBWDGJFSA-N 1 2 303.855 3.243 20 10 DGCDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc(F)c(F)c1O ZINC000876539459 623638136 /nfs/dbraw/zinc/63/81/36/623638136.db2.gz HHRCJFMDUDVOBL-UHFFFAOYSA-N 1 2 321.323 3.074 20 10 DGCDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc(F)c(F)c1O ZINC000876539459 623638139 /nfs/dbraw/zinc/63/81/39/623638139.db2.gz HHRCJFMDUDVOBL-UHFFFAOYSA-N 1 2 321.323 3.074 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@@H+]2Cc2c(C)cccc2O)no1 ZINC000876627895 623663960 /nfs/dbraw/zinc/66/39/60/623663960.db2.gz KMCWOQGIWHHJFW-AWEZNQCLSA-N 1 2 301.390 3.373 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@H+]2Cc2c(C)cccc2O)no1 ZINC000876627895 623663961 /nfs/dbraw/zinc/66/39/61/623663961.db2.gz KMCWOQGIWHHJFW-AWEZNQCLSA-N 1 2 301.390 3.373 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1O ZINC000806148079 623753547 /nfs/dbraw/zinc/75/35/47/623753547.db2.gz QHHDYKFCJBWNPC-FZMZJTMJSA-N 1 2 324.852 3.486 20 10 DGCDLO COCC1(C)CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000779606134 623781149 /nfs/dbraw/zinc/78/11/49/623781149.db2.gz LXVFHQOERNUDPH-UHFFFAOYSA-N 1 2 301.789 3.433 20 10 DGCDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877532688 623928761 /nfs/dbraw/zinc/92/87/61/623928761.db2.gz WQBSHHJPTAZRIU-CYBMUJFWSA-N 1 2 307.344 3.347 20 10 DGCDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877532688 623928769 /nfs/dbraw/zinc/92/87/69/623928769.db2.gz WQBSHHJPTAZRIU-CYBMUJFWSA-N 1 2 307.344 3.347 20 10 DGCDLO C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ncn(C)n1 ZINC000780562661 623952516 /nfs/dbraw/zinc/95/25/16/623952516.db2.gz HUMODIUIBSHCHA-ZDUSSCGKSA-N 1 2 308.385 3.039 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)ccc(F)c1F ZINC000877673743 623986639 /nfs/dbraw/zinc/98/66/39/623986639.db2.gz QXVFGPQPHOLZKE-ZBFHGGJFSA-N 1 2 319.351 3.368 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)ccc(F)c1F ZINC000877673743 623986643 /nfs/dbraw/zinc/98/66/43/623986643.db2.gz QXVFGPQPHOLZKE-ZBFHGGJFSA-N 1 2 319.351 3.368 20 10 DGCDLO Cn1ccnc1C[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000780893521 623995517 /nfs/dbraw/zinc/99/55/17/623995517.db2.gz XRQUFLHLGRPPND-UHFFFAOYSA-N 1 2 307.397 3.425 20 10 DGCDLO Cn1ccnc1C[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000780893521 623995525 /nfs/dbraw/zinc/99/55/25/623995525.db2.gz XRQUFLHLGRPPND-UHFFFAOYSA-N 1 2 307.397 3.425 20 10 DGCDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703995 623998843 /nfs/dbraw/zinc/99/88/43/623998843.db2.gz VISRQTIITCSAPO-UHFFFAOYSA-N 1 2 314.341 3.215 20 10 DGCDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703995 623998844 /nfs/dbraw/zinc/99/88/44/623998844.db2.gz VISRQTIITCSAPO-UHFFFAOYSA-N 1 2 314.341 3.215 20 10 DGCDLO C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]21 ZINC000877744638 624016858 /nfs/dbraw/zinc/01/68/58/624016858.db2.gz WFCGXPSRSSYFAC-YGRLFVJLSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]21 ZINC000877744638 624016863 /nfs/dbraw/zinc/01/68/63/624016863.db2.gz WFCGXPSRSSYFAC-YGRLFVJLSA-N 1 2 315.244 3.225 20 10 DGCDLO C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]21 ZINC000877744638 624016869 /nfs/dbraw/zinc/01/68/69/624016869.db2.gz WFCGXPSRSSYFAC-YGRLFVJLSA-N 1 2 315.244 3.225 20 10 DGCDLO C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]21 ZINC000877744638 624016872 /nfs/dbraw/zinc/01/68/72/624016872.db2.gz WFCGXPSRSSYFAC-YGRLFVJLSA-N 1 2 315.244 3.225 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000877778659 624033459 /nfs/dbraw/zinc/03/34/59/624033459.db2.gz QCACLSHIAVLRHO-AWEZNQCLSA-N 1 2 301.789 3.216 20 10 DGCDLO Cc1cc(C[NH2+]Cc2cc(C)cc(Br)c2O)no1 ZINC000781629087 624109959 /nfs/dbraw/zinc/10/99/59/624109959.db2.gz UCCKZIYDTBGYEI-UHFFFAOYSA-N 1 2 311.179 3.049 20 10 DGCDLO CO[C@@H](CC[NH2+][C@H](C)c1cc(F)cc(F)c1O)C(F)(F)F ZINC000786955399 624967473 /nfs/dbraw/zinc/96/74/73/624967473.db2.gz ZJXSQHWRXHFKSZ-HQJQHLMTSA-N 1 2 313.266 3.288 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[NH2+]CCN1CCCCCC1 ZINC000790950096 625720723 /nfs/dbraw/zinc/72/07/23/625720723.db2.gz VADCENCOINQRAH-UHFFFAOYSA-N 1 2 300.805 3.150 20 10 DGCDLO C[C@@H]1C[NH+](Cc2ccc(N3CCCCC3)cc2)C[C@@H](C)S1=O ZINC000792192354 625922191 /nfs/dbraw/zinc/92/21/91/625922191.db2.gz NCCOALCTKZPMIG-HZPDHXFCSA-N 1 2 320.502 3.018 20 10 DGCDLO CC[C@H]([NH2+]C[C@@H](O)COCC(C)C)c1cccc(Cl)c1O ZINC000806133457 626701075 /nfs/dbraw/zinc/70/10/75/626701075.db2.gz NOLQMTUPXGJXKK-DOMZBBRYSA-N 1 2 315.841 3.120 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)COCCOC)c1cccc(Cl)c1O ZINC000806147963 626702238 /nfs/dbraw/zinc/70/22/38/626702238.db2.gz PBCKNCDBMREDMW-RISCZKNCSA-N 1 2 301.814 3.138 20 10 DGCDLO CC(C)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000132260117 626710921 /nfs/dbraw/zinc/71/09/21/626710921.db2.gz OVPBAXUSCNGAPV-UHFFFAOYSA-N 1 2 303.233 3.225 20 10 DGCDLO CCc1nnc(C[N@@H+](C)Cc2ccc(N(CC)CC)cc2)o1 ZINC000807272511 626752740 /nfs/dbraw/zinc/75/27/40/626752740.db2.gz JBLVTGKOJDDCFL-UHFFFAOYSA-N 1 2 302.422 3.110 20 10 DGCDLO CCc1nnc(C[N@H+](C)Cc2ccc(N(CC)CC)cc2)o1 ZINC000807272511 626752745 /nfs/dbraw/zinc/75/27/45/626752745.db2.gz JBLVTGKOJDDCFL-UHFFFAOYSA-N 1 2 302.422 3.110 20 10 DGCDLO C[C@@H]([NH2+]Cc1cccc(Br)c1O)C1CCOCC1 ZINC000134478122 626878011 /nfs/dbraw/zinc/87/80/11/626878011.db2.gz XUUAHLHNQVNITD-SNVBAGLBSA-N 1 2 314.223 3.059 20 10 DGCDLO CCCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809716290 626940779 /nfs/dbraw/zinc/94/07/79/626940779.db2.gz SOCJKBTYBCPUDV-ZDUSSCGKSA-N 1 2 300.805 3.149 20 10 DGCDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886522645 627156939 /nfs/dbraw/zinc/15/69/39/627156939.db2.gz NVEOEPXKXWNCGB-SNVBAGLBSA-N 1 2 320.320 3.299 20 10 DGCDLO Cc1cc(C(=O)C[N@H+](C)CCCF)c(C)n1-c1ccc(F)cn1 ZINC000887142552 627229483 /nfs/dbraw/zinc/22/94/83/627229483.db2.gz PHXRHHZQDGGCAT-UHFFFAOYSA-N 1 2 321.371 3.102 20 10 DGCDLO Cc1cc(C(=O)C[N@@H+](C)CCCF)c(C)n1-c1ccc(F)cn1 ZINC000887142552 627229484 /nfs/dbraw/zinc/22/94/84/627229484.db2.gz PHXRHHZQDGGCAT-UHFFFAOYSA-N 1 2 321.371 3.102 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1F ZINC000814180979 627548076 /nfs/dbraw/zinc/54/80/76/627548076.db2.gz UNJQNDWUTSTLBV-MRXNPFEDSA-N 1 2 322.424 3.198 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1F ZINC000814180979 627548077 /nfs/dbraw/zinc/54/80/77/627548077.db2.gz UNJQNDWUTSTLBV-MRXNPFEDSA-N 1 2 322.424 3.198 20 10 DGCDLO CC(C)[C@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000816662741 627821281 /nfs/dbraw/zinc/82/12/81/627821281.db2.gz XCQWGBDHOKZWLE-MRXNPFEDSA-N 1 2 315.816 3.415 20 10 DGCDLO CC(C)[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000816662741 627821286 /nfs/dbraw/zinc/82/12/86/627821286.db2.gz XCQWGBDHOKZWLE-MRXNPFEDSA-N 1 2 315.816 3.415 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1NCCc2ccccc21)c1cc(F)cc(F)c1O ZINC000817972954 627980382 /nfs/dbraw/zinc/98/03/82/627980382.db2.gz ACDYAHKBPCIMKR-DIFFPNOSSA-N 1 2 318.367 3.208 20 10 DGCDLO CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976205 627980996 /nfs/dbraw/zinc/98/09/96/627980996.db2.gz IDBHMPMRQKIJHE-AUTRQRHGSA-N 1 2 321.223 3.440 20 10 DGCDLO C[C@H]([NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1)c1cc(F)cc(F)c1O ZINC000927053127 628002706 /nfs/dbraw/zinc/00/27/06/628002706.db2.gz ALPARMHFODZQRJ-UVJIQFMESA-N 1 2 313.344 3.004 20 10 DGCDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000825006184 628715470 /nfs/dbraw/zinc/71/54/70/628715470.db2.gz ZILJMXFOEKWCBS-SNVBAGLBSA-N 1 2 324.222 3.222 20 10 DGCDLO COCC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCCC1 ZINC000825245975 628741369 /nfs/dbraw/zinc/74/13/69/628741369.db2.gz VHTRIARAHMRZGW-UHFFFAOYSA-N 1 2 301.789 3.481 20 10 DGCDLO C[C@@]1(F)CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826030473 628821545 /nfs/dbraw/zinc/82/15/45/628821545.db2.gz ZMTONSZSIXPKKQ-CYBMUJFWSA-N 1 2 302.187 3.479 20 10 DGCDLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000826030473 628821547 /nfs/dbraw/zinc/82/15/47/628821547.db2.gz ZMTONSZSIXPKKQ-CYBMUJFWSA-N 1 2 302.187 3.479 20 10 DGCDLO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000827751352 628988640 /nfs/dbraw/zinc/98/86/40/628988640.db2.gz TXMJYQKVVMEWQK-CJNGLKHVSA-N 1 2 311.809 3.257 20 10 DGCDLO C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000827855692 628997665 /nfs/dbraw/zinc/99/76/65/628997665.db2.gz GRZSBBRLCHGOTH-BMIGLBTASA-N 1 2 309.768 3.396 20 10 DGCDLO CC(C)C[C@H](C(=O)N[C@@H](C)c1ccccc1O)n1cc[nH+]c1 ZINC000827960289 629008388 /nfs/dbraw/zinc/00/83/88/629008388.db2.gz NBXKIDBRRDXXPH-DZGCQCFKSA-N 1 2 301.390 3.053 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1cccc(Cl)c1O ZINC000834916439 629808181 /nfs/dbraw/zinc/80/81/81/629808181.db2.gz YTHMCLPTDVPVSS-BYCMXARLSA-N 1 2 322.836 3.240 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000835026120 629827938 /nfs/dbraw/zinc/82/79/38/629827938.db2.gz QALLTNPEDYRDFJ-MAVJXHJTSA-N 1 2 310.445 3.369 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000835026120 629827943 /nfs/dbraw/zinc/82/79/43/629827943.db2.gz QALLTNPEDYRDFJ-MAVJXHJTSA-N 1 2 310.445 3.369 20 10 DGCDLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(N(C)C)cc2C)no1 ZINC000840912040 630376198 /nfs/dbraw/zinc/37/61/98/630376198.db2.gz YXLYOJQYQJGMLY-QGZVFWFLSA-N 1 2 314.433 3.480 20 10 DGCDLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(N(C)C)cc2C)no1 ZINC000840912040 630376202 /nfs/dbraw/zinc/37/62/02/630376202.db2.gz YXLYOJQYQJGMLY-QGZVFWFLSA-N 1 2 314.433 3.480 20 10 DGCDLO Oc1c(Cl)cccc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840952864 630383518 /nfs/dbraw/zinc/38/35/18/630383518.db2.gz AGKXCABDKSXQDQ-UHFFFAOYSA-N 1 2 303.793 3.215 20 10 DGCDLO Cc1cc(O)c(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)c(Cl)c1 ZINC000840953524 630383928 /nfs/dbraw/zinc/38/39/28/630383928.db2.gz UMBKAAVTLXCBHC-UHFFFAOYSA-N 1 2 308.813 3.059 20 10 DGCDLO Oc1c(F)cc(Cl)cc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843044488 630607590 /nfs/dbraw/zinc/60/75/90/630607590.db2.gz DGPASMZFXSLUAS-XHDPSFHLSA-N 1 2 312.816 3.149 20 10 DGCDLO Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843044485 630607777 /nfs/dbraw/zinc/60/77/77/630607777.db2.gz DGPASMZFXSLUAS-ABAIWWIYSA-N 1 2 312.816 3.149 20 10 DGCDLO COc1ccc(N(C)CC[N@H+](C)Cc2ncc(C(C)C)o2)cc1 ZINC000844400446 630724824 /nfs/dbraw/zinc/72/48/24/630724824.db2.gz BSKHKYBZGJYDFQ-UHFFFAOYSA-N 1 2 317.433 3.375 20 10 DGCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2ncc(C(C)C)o2)cc1 ZINC000844400446 630724826 /nfs/dbraw/zinc/72/48/26/630724826.db2.gz BSKHKYBZGJYDFQ-UHFFFAOYSA-N 1 2 317.433 3.375 20 10 DGCDLO CCCCN(Cc1ccccc1O)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000846096578 631209407 /nfs/dbraw/zinc/20/94/07/631209407.db2.gz XJRQUCMLNTTXMQ-OAHLLOKOSA-N 1 2 315.417 3.369 20 10 DGCDLO CCCN(Cc1ccccc1O)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000847571907 631492204 /nfs/dbraw/zinc/49/22/04/631492204.db2.gz OCBZLERAEWUOKV-UHFFFAOYSA-N 1 2 323.396 3.401 20 10 DGCDLO C[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1cc(F)cc(F)c1O ZINC000848568308 631696972 /nfs/dbraw/zinc/69/69/72/631696972.db2.gz FFVQIIGRHYWGQT-UVBJJODRSA-N 1 2 310.388 3.338 20 10 DGCDLO Cc1cc(Br)c(O)c(C[NH+]2CC3(CC3(F)F)C2)c1 ZINC000848922041 631788520 /nfs/dbraw/zinc/78/85/20/631788520.db2.gz LIMUUWYWWPDITB-UHFFFAOYSA-N 1 2 318.161 3.304 20 10 DGCDLO Cc1noc([C@@H](C)[N@H+](C)C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000848925769 631790969 /nfs/dbraw/zinc/79/09/69/631790969.db2.gz JXURBNKEHPKTGL-FMFIFOJESA-N 1 2 300.406 3.150 20 10 DGCDLO Cc1noc([C@@H](C)[N@@H+](C)C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000848925769 631790973 /nfs/dbraw/zinc/79/09/73/631790973.db2.gz JXURBNKEHPKTGL-FMFIFOJESA-N 1 2 300.406 3.150 20 10 DGCDLO CC1CCN(C(=[NH2+])NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000849078421 631828479 /nfs/dbraw/zinc/82/84/79/631828479.db2.gz ZQNOJSNQOYRKOT-UHFFFAOYSA-N 1 2 316.232 3.455 20 10 DGCDLO COc1cc(CNc2cc[nH+]cc2F)c(O)c(C(C)(C)C)c1 ZINC000849345084 631896969 /nfs/dbraw/zinc/89/69/69/631896969.db2.gz JGXAPLDHYVVKQS-UHFFFAOYSA-N 1 2 304.365 3.266 20 10 DGCDLO C[C@H]([NH2+]Cc1ncccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850551398 632190092 /nfs/dbraw/zinc/19/00/92/632190092.db2.gz HTYGMIRPJUWRKX-AWEZNQCLSA-N 1 2 314.408 3.457 20 10 DGCDLO CCC[C@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708100874 660918114 /nfs/dbraw/zinc/91/81/14/660918114.db2.gz XAWSPYHEXCNALX-JTQLQIEISA-N 1 2 322.630 3.059 20 10 DGCDLO CCC[C@H]1C[N@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000709022282 660923650 /nfs/dbraw/zinc/92/36/50/660923650.db2.gz UWASKAPDQDUIEZ-ZDUSSCGKSA-N 1 2 314.223 3.156 20 10 DGCDLO CCC[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000709022282 660923652 /nfs/dbraw/zinc/92/36/52/660923652.db2.gz UWASKAPDQDUIEZ-ZDUSSCGKSA-N 1 2 314.223 3.156 20 10 DGCDLO COC(=O)C[N@H+](Cc1ccccc1)Cc1cc(C)c(C)cc1O ZINC000049979292 655629190 /nfs/dbraw/zinc/62/91/90/655629190.db2.gz VSPHUJACIAYDTD-UHFFFAOYSA-N 1 2 313.397 3.184 20 10 DGCDLO COC(=O)C[N@@H+](Cc1ccccc1)Cc1cc(C)c(C)cc1O ZINC000049979292 655629191 /nfs/dbraw/zinc/62/91/91/655629191.db2.gz VSPHUJACIAYDTD-UHFFFAOYSA-N 1 2 313.397 3.184 20 10 DGCDLO Cc1cc(C(=O)NCc2c[nH+]cn2C)c(C)n1-c1cccc(C)c1 ZINC000291221743 655746196 /nfs/dbraw/zinc/74/61/96/655746196.db2.gz MXBHPTFCDVGBKW-UHFFFAOYSA-N 1 2 322.412 3.066 20 10 DGCDLO Oc1ccc(CC[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000048797665 655777942 /nfs/dbraw/zinc/77/79/42/655777942.db2.gz OOTOFQVUNYGIIM-UHFFFAOYSA-N 1 2 322.202 3.193 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CCCS1 ZINC000715789291 661214425 /nfs/dbraw/zinc/21/44/25/661214425.db2.gz OOEARNSOXMWXLM-JTQLQIEISA-N 1 2 320.227 3.279 20 10 DGCDLO COc1ccc([N@H+](CCCCCNC(C)=O)CC2CC2)cc1 ZINC000930643592 656111904 /nfs/dbraw/zinc/11/19/04/656111904.db2.gz WOIGDCGLCOFLDL-UHFFFAOYSA-N 1 2 304.434 3.218 20 10 DGCDLO COc1ccc([N@@H+](CCCCCNC(C)=O)CC2CC2)cc1 ZINC000930643592 656111907 /nfs/dbraw/zinc/11/19/07/656111907.db2.gz WOIGDCGLCOFLDL-UHFFFAOYSA-N 1 2 304.434 3.218 20 10 DGCDLO CC[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccccc1O ZINC000157132335 658990894 /nfs/dbraw/zinc/99/08/94/658990894.db2.gz BWCUMFJKYXLBMI-INIZCTEOSA-N 1 2 313.401 3.187 20 10 DGCDLO COC(C)(C)C[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000174554722 659439144 /nfs/dbraw/zinc/43/91/44/659439144.db2.gz QQRQSXKXCGBDHX-SNVBAGLBSA-N 1 2 316.239 3.448 20 10 DGCDLO CC(C)(C)C(=O)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000378963906 685147136 /nfs/dbraw/zinc/14/71/36/685147136.db2.gz YUNWAKSVUDRGQP-UHFFFAOYSA-N 1 2 324.852 3.172 20 10 DGCDLO COc1nscc1C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC001620614231 1192037536 /nfs/dbraw/zinc/03/75/36/1192037536.db2.gz HEVHQWFWZWXFMD-UHFFFAOYSA-N 1 2 305.447 3.158 20 10 DGCDLO COc1nscc1C[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC001620614231 1192037538 /nfs/dbraw/zinc/03/75/38/1192037538.db2.gz HEVHQWFWZWXFMD-UHFFFAOYSA-N 1 2 305.447 3.158 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCO[C@@](C)(C(F)F)C2)c(Cl)c1 ZINC001334057732 1178713891 /nfs/dbraw/zinc/71/38/91/1178713891.db2.gz LIDGSPNKDMXVFJ-CQSZACIVSA-N 1 2 305.752 3.210 20 10 DGCDLO CCCN(CCC)c1ccc(C[NH2+]Cc2csnn2)cc1 ZINC001349625549 1179923650 /nfs/dbraw/zinc/92/36/50/1179923650.db2.gz OFXFLYCYNIETHF-UHFFFAOYSA-N 1 2 304.463 3.454 20 10 DGCDLO CSC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCOCC1 ZINC001200751649 1180876832 /nfs/dbraw/zinc/87/68/32/1180876832.db2.gz QNFOUPWLARFYFV-UHFFFAOYSA-N 1 2 319.829 3.187 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCOCc1ccccc1 ZINC001200852884 1180973013 /nfs/dbraw/zinc/97/30/13/1180973013.db2.gz BBKMSRKTPVSTPB-UHFFFAOYSA-N 1 2 309.768 3.491 20 10 DGCDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(F)c(F)cc2O)[nH]1 ZINC001462184216 1182920221 /nfs/dbraw/zinc/92/02/21/1182920221.db2.gz QJWBCSYYYZCBBC-DTWKUNHWSA-N 1 2 310.348 3.153 20 10 DGCDLO Oc1c(F)cc(F)cc1CN1CC[NH+](Cc2cccs2)CC1 ZINC001474411928 1183917649 /nfs/dbraw/zinc/91/76/49/1183917649.db2.gz UFOOXGWOKUGHKX-UHFFFAOYSA-N 1 2 324.396 3.050 20 10 DGCDLO CCc1cccc(C[N@@H+]2CCN(c3ccc(C)cc3)C(=O)C2)c1O ZINC001560824934 1189387671 /nfs/dbraw/zinc/38/76/71/1189387671.db2.gz WZRLKFOSJOFDKW-UHFFFAOYSA-N 1 2 324.424 3.112 20 10 DGCDLO CCc1cccc(C[N@H+]2CCN(c3ccc(C)cc3)C(=O)C2)c1O ZINC001560824934 1189387680 /nfs/dbraw/zinc/38/76/80/1189387680.db2.gz WZRLKFOSJOFDKW-UHFFFAOYSA-N 1 2 324.424 3.112 20 10 DGCDLO COCC[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001621218282 1193818387 /nfs/dbraw/zinc/81/83/87/1193818387.db2.gz AKGIKVQBPDDVGU-UHFFFAOYSA-N 1 2 307.340 3.319 20 10 DGCDLO COCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001621218282 1193818388 /nfs/dbraw/zinc/81/83/88/1193818388.db2.gz AKGIKVQBPDDVGU-UHFFFAOYSA-N 1 2 307.340 3.319 20 10 DGCDLO C[C@H](CC(=O)NCc1c(O)ccc2ccccc21)n1cc[nH+]c1 ZINC001635969839 1194583012 /nfs/dbraw/zinc/58/30/12/1194583012.db2.gz YULFEIHWOPHCAR-CYBMUJFWSA-N 1 2 309.369 3.009 20 10 DGCDLO CCN(C)c1ccc(C[N@@H+]2Cc3ccccc3NC(=O)[C@@H]2C)cc1 ZINC001655029663 1195867425 /nfs/dbraw/zinc/86/74/25/1195867425.db2.gz HBZXCCORLFMZAN-HNNXBMFYSA-N 1 2 323.440 3.486 20 10 DGCDLO CCN(C)c1ccc(C[N@H+]2Cc3ccccc3NC(=O)[C@@H]2C)cc1 ZINC001655029663 1195867427 /nfs/dbraw/zinc/86/74/27/1195867427.db2.gz HBZXCCORLFMZAN-HNNXBMFYSA-N 1 2 323.440 3.486 20 10 DGCDLO OC[C@@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001658021898 1196203280 /nfs/dbraw/zinc/20/32/80/1196203280.db2.gz JHOKPEOLBLFUOS-OAHLLOKOSA-N 1 2 323.795 3.268 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@@H+](C)Cc2nncn2C(C)C)c1 ZINC001658163075 1196219464 /nfs/dbraw/zinc/21/94/64/1196219464.db2.gz KEJLCQPZCQAHMQ-UHFFFAOYSA-N 1 2 302.422 3.320 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@H+](C)Cc2nncn2C(C)C)c1 ZINC001658163075 1196219468 /nfs/dbraw/zinc/21/94/68/1196219468.db2.gz KEJLCQPZCQAHMQ-UHFFFAOYSA-N 1 2 302.422 3.320 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000687288330 1103090797 /nfs/dbraw/zinc/09/07/97/1103090797.db2.gz AGGGXVVYXBEJKI-NSHDSACASA-N 1 2 309.715 3.199 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000687288330 1103090807 /nfs/dbraw/zinc/09/08/07/1103090807.db2.gz AGGGXVVYXBEJKI-NSHDSACASA-N 1 2 309.715 3.199 20 10 DGCDLO Cc1ccc(C[N@@H+](C)Cc2c(O)cccc2Br)cn1 ZINC001140103617 1081842450 /nfs/dbraw/zinc/84/24/50/1081842450.db2.gz RBRAEAXERZNGQE-UHFFFAOYSA-N 1 2 321.218 3.490 20 10 DGCDLO Cc1ccc(C[N@H+](C)Cc2c(O)cccc2Br)cn1 ZINC001140103617 1081842458 /nfs/dbraw/zinc/84/24/58/1081842458.db2.gz RBRAEAXERZNGQE-UHFFFAOYSA-N 1 2 321.218 3.490 20 10 DGCDLO CN(CC[NH2+]Cc1cc(Cl)cc(F)c1O)Cc1ccccc1 ZINC001648914339 1082389492 /nfs/dbraw/zinc/38/94/92/1082389492.db2.gz SIXLBVCRNDQNNU-UHFFFAOYSA-N 1 2 322.811 3.406 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001231909728 1087575845 /nfs/dbraw/zinc/57/58/45/1087575845.db2.gz ICOHDKXCNNHIME-ZDUSSCGKSA-N 1 2 323.742 3.325 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001231909728 1087575848 /nfs/dbraw/zinc/57/58/48/1087575848.db2.gz ICOHDKXCNNHIME-ZDUSSCGKSA-N 1 2 323.742 3.325 20 10 DGCDLO CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001203587025 1090762752 /nfs/dbraw/zinc/76/27/52/1090762752.db2.gz YSQNKJWSPSTZDS-TXEJJXNPSA-N 1 2 315.244 3.083 20 10 DGCDLO CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001203587025 1090762755 /nfs/dbraw/zinc/76/27/55/1090762755.db2.gz YSQNKJWSPSTZDS-TXEJJXNPSA-N 1 2 315.244 3.083 20 10 DGCDLO CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001203587025 1090762758 /nfs/dbraw/zinc/76/27/58/1090762758.db2.gz YSQNKJWSPSTZDS-TXEJJXNPSA-N 1 2 315.244 3.083 20 10 DGCDLO CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001203587025 1090762763 /nfs/dbraw/zinc/76/27/63/1090762763.db2.gz YSQNKJWSPSTZDS-TXEJJXNPSA-N 1 2 315.244 3.083 20 10 DGCDLO Cn1cnc2cc(C[NH2+]Cc3cc(Cl)cc(F)c3O)ccc21 ZINC001203698866 1090783608 /nfs/dbraw/zinc/78/36/08/1090783608.db2.gz NXKKVAYQUDLRII-UHFFFAOYSA-N 1 2 319.767 3.361 20 10 DGCDLO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2nnc[nH]2)cc1 ZINC001204135838 1090907140 /nfs/dbraw/zinc/90/71/40/1090907140.db2.gz IJSKZZYWFTWAHC-UHFFFAOYSA-N 1 2 321.428 3.121 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](CC1CC1)C(C)C ZINC001139128886 1091459720 /nfs/dbraw/zinc/45/97/20/1091459720.db2.gz HTOCYXQJSLGBED-UHFFFAOYSA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](CC1CC1)C(C)C ZINC001139128886 1091459723 /nfs/dbraw/zinc/45/97/23/1091459723.db2.gz HTOCYXQJSLGBED-UHFFFAOYSA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001139129022 1091460071 /nfs/dbraw/zinc/46/00/71/1091460071.db2.gz LANYKRVXFONVAV-LLVKDONJSA-N 1 2 323.339 3.284 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001139129022 1091460077 /nfs/dbraw/zinc/46/00/77/1091460077.db2.gz LANYKRVXFONVAV-LLVKDONJSA-N 1 2 323.339 3.284 20 10 DGCDLO COc1ncc(Cl)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001139749155 1091662990 /nfs/dbraw/zinc/66/29/90/1091662990.db2.gz NDYMCDZHENFHKE-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1ncc(Cl)cc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001139749155 1091662995 /nfs/dbraw/zinc/66/29/95/1091662995.db2.gz NDYMCDZHENFHKE-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO C[C@]1(F)CC[N@@H+](Cc2c(O)cccc2Br)C[C@@H]1F ZINC001140098607 1091767968 /nfs/dbraw/zinc/76/79/68/1091767968.db2.gz HNOQUSOEDFXYBZ-STQMWFEESA-N 1 2 320.177 3.427 20 10 DGCDLO C[C@]1(F)CC[N@H+](Cc2c(O)cccc2Br)C[C@@H]1F ZINC001140098607 1091767964 /nfs/dbraw/zinc/76/79/64/1091767964.db2.gz HNOQUSOEDFXYBZ-STQMWFEESA-N 1 2 320.177 3.427 20 10 DGCDLO CN(C)c1ccc(C[N@H+](C)Cc2c(O)cc(F)cc2F)cc1 ZINC001140583999 1091919201 /nfs/dbraw/zinc/91/92/01/1091919201.db2.gz BMYWXFZMMPWHRG-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](C)Cc2c(O)cc(F)cc2F)cc1 ZINC001140583999 1091919210 /nfs/dbraw/zinc/91/92/10/1091919210.db2.gz BMYWXFZMMPWHRG-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO Cc1ccc(O)c(C[N@H+]2CC[C@H]2N(C)C(=O)OC(C)(C)C)c1 ZINC001140623370 1091934034 /nfs/dbraw/zinc/93/40/34/1091934034.db2.gz MZBIBTYKDYPQDM-HNNXBMFYSA-N 1 2 306.406 3.099 20 10 DGCDLO Cc1ccc(O)c(C[N@@H+]2CC[C@H]2N(C)C(=O)OC(C)(C)C)c1 ZINC001140623370 1091934044 /nfs/dbraw/zinc/93/40/44/1091934044.db2.gz MZBIBTYKDYPQDM-HNNXBMFYSA-N 1 2 306.406 3.099 20 10 DGCDLO Oc1c(F)cccc1CN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001276537741 1091999356 /nfs/dbraw/zinc/99/93/56/1091999356.db2.gz MZDNHCLAKSNLIK-UHFFFAOYSA-N 1 2 318.436 3.372 20 10 DGCDLO FC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075108 1092129644 /nfs/dbraw/zinc/12/96/44/1092129644.db2.gz ZASHNMMZYOLECJ-IRXDYDNUSA-N 1 2 306.400 3.267 20 10 DGCDLO FC[C@@H]1C[C@H](F)C[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075108 1092129651 /nfs/dbraw/zinc/12/96/51/1092129651.db2.gz ZASHNMMZYOLECJ-IRXDYDNUSA-N 1 2 306.400 3.267 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC001142521032 1092495505 /nfs/dbraw/zinc/49/55/05/1092495505.db2.gz VBHGMHODTFKORM-UHFFFAOYSA-N 1 2 322.330 3.132 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000402351109 1094002727 /nfs/dbraw/zinc/00/27/27/1094002727.db2.gz ZRMJPMSWZMKTTO-LLVKDONJSA-N 1 2 314.223 3.061 20 10 DGCDLO C[C@@]1(c2ccc(F)cc2)C[N@H+](Cc2c(O)cccc2F)CCO1 ZINC001137839127 1095760039 /nfs/dbraw/zinc/76/00/39/1095760039.db2.gz SJENLSSJOJMIPZ-SFHVURJKSA-N 1 2 319.351 3.418 20 10 DGCDLO C[C@@]1(c2ccc(F)cc2)C[N@@H+](Cc2c(O)cccc2F)CCO1 ZINC001137839127 1095760050 /nfs/dbraw/zinc/76/00/50/1095760050.db2.gz SJENLSSJOJMIPZ-SFHVURJKSA-N 1 2 319.351 3.418 20 10 DGCDLO C[C@@]1(CO)CC(F)(F)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879486 1097878010 /nfs/dbraw/zinc/87/80/10/1097878010.db2.gz FFKDQZQWTMKRJL-INIZCTEOSA-N 1 2 307.340 3.137 20 10 DGCDLO C[C@@]1(CO)CC(F)(F)C[N@H+]1Cc1ccc2ccccc2c1O ZINC001231879486 1097878018 /nfs/dbraw/zinc/87/80/18/1097878018.db2.gz FFKDQZQWTMKRJL-INIZCTEOSA-N 1 2 307.340 3.137 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001231910015 1097888830 /nfs/dbraw/zinc/88/88/30/1097888830.db2.gz JMWAIVJSCCYCBA-DLBZAZTESA-N 1 2 317.816 3.224 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001231910015 1097888839 /nfs/dbraw/zinc/88/88/39/1097888839.db2.gz JMWAIVJSCCYCBA-DLBZAZTESA-N 1 2 317.816 3.224 20 10 DGCDLO CC(C)(C)C(=O)NC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231913235 1097889428 /nfs/dbraw/zinc/88/94/28/1097889428.db2.gz JBRUUDXUJSRPME-UHFFFAOYSA-N 1 2 324.852 3.172 20 10 DGCDLO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231912092 1097889926 /nfs/dbraw/zinc/88/99/26/1097889926.db2.gz VUZXFVHSLKBVRM-QGZVFWFLSA-N 1 2 322.836 3.023 20 10 DGCDLO CC(=O)N1CCCC[C@]12CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231912092 1097889932 /nfs/dbraw/zinc/88/99/32/1097889932.db2.gz VUZXFVHSLKBVRM-QGZVFWFLSA-N 1 2 322.836 3.023 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001231911610 1097890784 /nfs/dbraw/zinc/89/07/84/1097890784.db2.gz IOZNVTHPCUXDBZ-HNNXBMFYSA-N 1 2 318.804 3.484 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001231911610 1097890792 /nfs/dbraw/zinc/89/07/92/1097890792.db2.gz IOZNVTHPCUXDBZ-HNNXBMFYSA-N 1 2 318.804 3.484 20 10 DGCDLO Cc1cnc(C[N@H+](C)Cc2ccccc2O)c(Br)c1 ZINC001232178746 1097957609 /nfs/dbraw/zinc/95/76/09/1097957609.db2.gz DZFOGTUWTHKTQJ-UHFFFAOYSA-N 1 2 321.218 3.490 20 10 DGCDLO Cc1cnc(C[N@@H+](C)Cc2ccccc2O)c(Br)c1 ZINC001232178746 1097957614 /nfs/dbraw/zinc/95/76/14/1097957614.db2.gz DZFOGTUWTHKTQJ-UHFFFAOYSA-N 1 2 321.218 3.490 20 10 DGCDLO F[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232199779 1097963966 /nfs/dbraw/zinc/96/39/66/1097963966.db2.gz JRYGTZLPKTYRNV-AWEZNQCLSA-N 1 2 312.816 3.111 20 10 DGCDLO F[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232199779 1097963969 /nfs/dbraw/zinc/96/39/69/1097963969.db2.gz JRYGTZLPKTYRNV-AWEZNQCLSA-N 1 2 312.816 3.111 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1Cl ZINC001232266955 1097986081 /nfs/dbraw/zinc/98/60/81/1097986081.db2.gz TWDYVTAGRBOMHC-GXTWGEPZSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1Cl ZINC001232266955 1097986086 /nfs/dbraw/zinc/98/60/86/1097986086.db2.gz TWDYVTAGRBOMHC-GXTWGEPZSA-N 1 2 323.820 3.388 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)ccc(F)c1F ZINC001233077104 1098219448 /nfs/dbraw/zinc/21/94/48/1098219448.db2.gz DMIAKKIUIUTDEY-AWEZNQCLSA-N 1 2 323.314 3.463 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)ccc(F)c1F ZINC001233077104 1098219455 /nfs/dbraw/zinc/21/94/55/1098219455.db2.gz DMIAKKIUIUTDEY-AWEZNQCLSA-N 1 2 323.314 3.463 20 10 DGCDLO Oc1c(C[N@@H+]2CCOC[C@H]2C2CCCCC2)ccc(F)c1F ZINC001233078893 1098221389 /nfs/dbraw/zinc/22/13/89/1098221389.db2.gz NHAGSWRRPHUENU-HNNXBMFYSA-N 1 2 311.372 3.452 20 10 DGCDLO Oc1c(C[N@H+]2CCOC[C@H]2C2CCCCC2)ccc(F)c1F ZINC001233078893 1098221393 /nfs/dbraw/zinc/22/13/93/1098221393.db2.gz NHAGSWRRPHUENU-HNNXBMFYSA-N 1 2 311.372 3.452 20 10 DGCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC001233336241 1098293598 /nfs/dbraw/zinc/29/35/98/1098293598.db2.gz FASGFUBNBWVREV-UHFFFAOYSA-N 1 2 322.330 3.132 20 10 DGCDLO C[N@H+](Cc1cncs1)Cc1cccc(C(F)(F)F)c1O ZINC001233419215 1098326147 /nfs/dbraw/zinc/32/61/47/1098326147.db2.gz NWBLDUYRVLYKOD-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO C[N@@H+](Cc1cncs1)Cc1cccc(C(F)(F)F)c1O ZINC001233419215 1098326154 /nfs/dbraw/zinc/32/61/54/1098326154.db2.gz NWBLDUYRVLYKOD-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO C[N@H+](Cc1cscn1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454581 1098341463 /nfs/dbraw/zinc/34/14/63/1098341463.db2.gz AECFGTKFZRQTLO-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO C[N@@H+](Cc1cscn1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454581 1098341469 /nfs/dbraw/zinc/34/14/69/1098341469.db2.gz AECFGTKFZRQTLO-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCC[C@H](C)C1 ZINC001177262682 1098508630 /nfs/dbraw/zinc/50/86/30/1098508630.db2.gz XEWJEDAFFXUPMJ-NWDGAFQWSA-N 1 2 314.832 3.395 20 10 DGCDLO C[C@H](C(=O)N(Cc1ccccc1)c1ccc(N)cc1)n1cc[nH+]c1 ZINC001177927520 1098658075 /nfs/dbraw/zinc/65/80/75/1098658075.db2.gz ZLIUTVWWPJIBQZ-OAHLLOKOSA-N 1 2 320.396 3.260 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001235067758 1098782124 /nfs/dbraw/zinc/78/21/24/1098782124.db2.gz ZKZAJVIDXRNZSH-PELKAZGASA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001235067758 1098782133 /nfs/dbraw/zinc/78/21/33/1098782133.db2.gz ZKZAJVIDXRNZSH-PELKAZGASA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001235068926 1098782737 /nfs/dbraw/zinc/78/27/37/1098782737.db2.gz NHNOWPSBTZATIO-GZMMTYOYSA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001235068926 1098782742 /nfs/dbraw/zinc/78/27/42/1098782742.db2.gz NHNOWPSBTZATIO-GZMMTYOYSA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCCO[C@H]1CCCCO1 ZINC001179101157 1099009607 /nfs/dbraw/zinc/00/96/07/1099009607.db2.gz SDINOKXJHXBWGK-AWEZNQCLSA-N 1 2 317.788 3.208 20 10 DGCDLO CC(C)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[NH2+]1 ZINC001235470432 1099053905 /nfs/dbraw/zinc/05/39/05/1099053905.db2.gz GQYCIZPQNQGCMS-ZDUSSCGKSA-N 1 2 303.233 3.129 20 10 DGCDLO CC(C)CN1CC[NH+](Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235682111 1099124292 /nfs/dbraw/zinc/12/42/92/1099124292.db2.gz MTFCIKIRYNRGPT-UHFFFAOYSA-N 1 2 304.478 3.463 20 10 DGCDLO Oc1c(Cl)cc(F)cc1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235864695 1099226080 /nfs/dbraw/zinc/22/60/80/1099226080.db2.gz UNFBQKWOAJGXLH-INIZCTEOSA-N 1 2 320.795 3.331 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC001180178129 1099324150 /nfs/dbraw/zinc/32/41/50/1099324150.db2.gz QABQMVPYDKFLSR-CQSZACIVSA-N 1 2 323.339 3.445 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC001180178129 1099324162 /nfs/dbraw/zinc/32/41/62/1099324162.db2.gz QABQMVPYDKFLSR-CQSZACIVSA-N 1 2 323.339 3.445 20 10 DGCDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(Cl)c1O ZINC001180310235 1099367253 /nfs/dbraw/zinc/36/72/53/1099367253.db2.gz BFNDGNMCXQXUAL-UHFFFAOYSA-N 1 2 322.748 3.252 20 10 DGCDLO CN(C)c1ccc(C[N@H+](C)Cc2c(F)ccc(N)c2F)cc1 ZINC001236189906 1099456347 /nfs/dbraw/zinc/45/63/47/1099456347.db2.gz QSHSNUIZTTVOBT-UHFFFAOYSA-N 1 2 305.372 3.245 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](C)Cc2c(F)ccc(N)c2F)cc1 ZINC001236189906 1099456349 /nfs/dbraw/zinc/45/63/49/1099456349.db2.gz QSHSNUIZTTVOBT-UHFFFAOYSA-N 1 2 305.372 3.245 20 10 DGCDLO CCc1ccc(C[N@@H+]2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001236791322 1099789095 /nfs/dbraw/zinc/78/90/95/1099789095.db2.gz GMTKSPIKIGLRAT-MRXNPFEDSA-N 1 2 320.433 3.353 20 10 DGCDLO CCc1ccc(C[N@H+]2CC[C@@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001236791322 1099789103 /nfs/dbraw/zinc/78/91/03/1099789103.db2.gz GMTKSPIKIGLRAT-MRXNPFEDSA-N 1 2 320.433 3.353 20 10 DGCDLO Cc1cc(C[N@H+](C)Cc2cc(Cl)c(Cl)cc2O)n(C)n1 ZINC001236797349 1099791460 /nfs/dbraw/zinc/79/14/60/1099791460.db2.gz XGLHSLYIJOJDKJ-UHFFFAOYSA-N 1 2 314.216 3.373 20 10 DGCDLO Cc1cc(C[N@@H+](C)Cc2cc(Cl)c(Cl)cc2O)n(C)n1 ZINC001236797349 1099791465 /nfs/dbraw/zinc/79/14/65/1099791465.db2.gz XGLHSLYIJOJDKJ-UHFFFAOYSA-N 1 2 314.216 3.373 20 10 DGCDLO COc1cc(C)c(C[N@@H+]2CCC[C@H](F)C(F)(F)C2)c(O)c1 ZINC001236807184 1099799021 /nfs/dbraw/zinc/79/90/21/1099799021.db2.gz DDTCTMDNMCIOCE-AWEZNQCLSA-N 1 2 303.324 3.278 20 10 DGCDLO COc1cc(C)c(C[N@H+]2CCC[C@H](F)C(F)(F)C2)c(O)c1 ZINC001236807184 1099799027 /nfs/dbraw/zinc/79/90/27/1099799027.db2.gz DDTCTMDNMCIOCE-AWEZNQCLSA-N 1 2 303.324 3.278 20 10 DGCDLO COc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c(O)c1Cl ZINC001236810300 1099799801 /nfs/dbraw/zinc/79/98/01/1099799801.db2.gz SBKKKBSLTZXSSU-UHFFFAOYSA-N 1 2 313.825 3.444 20 10 DGCDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001205411791 1099893341 /nfs/dbraw/zinc/89/33/41/1099893341.db2.gz OLIFFMWDRWJYFG-CYBMUJFWSA-N 1 2 311.809 3.352 20 10 DGCDLO CC(C)c1ccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001237049102 1099945954 /nfs/dbraw/zinc/94/59/54/1099945954.db2.gz LFBHRGUPPSUKNO-CQSZACIVSA-N 1 2 303.324 3.279 20 10 DGCDLO CC(C)c1ccc(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001237049102 1099945963 /nfs/dbraw/zinc/94/59/63/1099945963.db2.gz LFBHRGUPPSUKNO-CQSZACIVSA-N 1 2 303.324 3.279 20 10 DGCDLO Oc1ccc(Cl)c(Cl)c1C[NH+]1CC2(C1)CCOCC2 ZINC001237082657 1099962688 /nfs/dbraw/zinc/96/26/88/1099962688.db2.gz SZJAWNBWDDYZHN-UHFFFAOYSA-N 1 2 302.201 3.311 20 10 DGCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001237085297 1099963415 /nfs/dbraw/zinc/96/34/15/1099963415.db2.gz XRMIYDJDLLZFHX-AWEZNQCLSA-N 1 2 302.201 3.454 20 10 DGCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001237085297 1099963421 /nfs/dbraw/zinc/96/34/21/1099963421.db2.gz XRMIYDJDLLZFHX-AWEZNQCLSA-N 1 2 302.201 3.454 20 10 DGCDLO CC(C)[C@@H]1COCC[N@@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237124001 1099982851 /nfs/dbraw/zinc/98/28/51/1099982851.db2.gz WTWUSVFYZPFVPP-LBPRGKRZSA-N 1 2 319.323 3.148 20 10 DGCDLO CC(C)[C@@H]1COCC[N@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237124001 1099982859 /nfs/dbraw/zinc/98/28/59/1099982859.db2.gz WTWUSVFYZPFVPP-LBPRGKRZSA-N 1 2 319.323 3.148 20 10 DGCDLO COc1ccc(CN(C2CCC2)[C@@H]2CCC[NH2+]C2)c(O)c1Cl ZINC001237157249 1100007970 /nfs/dbraw/zinc/00/79/70/1100007970.db2.gz SHEHQGANYGCGOL-CQSZACIVSA-N 1 2 324.852 3.161 20 10 DGCDLO CO[C@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]21 ZINC001237618565 1100190617 /nfs/dbraw/zinc/19/06/17/1100190617.db2.gz IWMOJTXJDFNVMG-DGFSRKRXSA-N 1 2 313.800 3.432 20 10 DGCDLO CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]21 ZINC001237618565 1100190624 /nfs/dbraw/zinc/19/06/24/1100190624.db2.gz IWMOJTXJDFNVMG-DGFSRKRXSA-N 1 2 313.800 3.432 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC001237675970 1100210955 /nfs/dbraw/zinc/21/09/55/1100210955.db2.gz DHQOIDWHVADTKF-PHIMTYICSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)CC(C)C)CC2)c1O ZINC001237686746 1100214370 /nfs/dbraw/zinc/21/43/70/1100214370.db2.gz MVNDOTFFZWDYOW-UHFFFAOYSA-N 1 2 324.852 3.044 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)c1O ZINC001237687336 1100215034 /nfs/dbraw/zinc/21/50/34/1100215034.db2.gz XJUHIPFFUZLINW-MRXNPFEDSA-N 1 2 318.804 3.323 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3ccccn3)C2)c1O ZINC001237687336 1100215039 /nfs/dbraw/zinc/21/50/39/1100215039.db2.gz XJUHIPFFUZLINW-MRXNPFEDSA-N 1 2 318.804 3.323 20 10 DGCDLO Oc1c(Cl)cc(F)cc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001237799538 1100251102 /nfs/dbraw/zinc/25/11/02/1100251102.db2.gz RLXRBTCEWFLMFL-CQSZACIVSA-N 1 2 312.816 3.245 20 10 DGCDLO CC(C)(C)[NH+]1CCN(Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237798518 1100251923 /nfs/dbraw/zinc/25/19/23/1100251923.db2.gz HQDFBICQCIBHHO-UHFFFAOYSA-N 1 2 300.805 3.101 20 10 DGCDLO CC(C)[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001325929362 1103165902 /nfs/dbraw/zinc/16/59/02/1103165902.db2.gz ZGZAQXAIAOTKEB-OAHLLOKOSA-N 1 2 301.789 3.025 20 10 DGCDLO CC(C)[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001325929362 1103165909 /nfs/dbraw/zinc/16/59/09/1103165909.db2.gz ZGZAQXAIAOTKEB-OAHLLOKOSA-N 1 2 301.789 3.025 20 10 DGCDLO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)cc1Br ZINC001250116612 1105444586 /nfs/dbraw/zinc/44/45/86/1105444586.db2.gz DOYBTSBPVVTUEP-PHIMTYICSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)cc1Br ZINC001250116612 1105444589 /nfs/dbraw/zinc/44/45/89/1105444589.db2.gz DOYBTSBPVVTUEP-PHIMTYICSA-N 1 2 314.223 3.072 20 10 DGCDLO FC(F)c1ccnc(C[NH2+]Cc2ccc(N3CCCC3)cc2)n1 ZINC001324454282 1108294791 /nfs/dbraw/zinc/29/47/91/1108294791.db2.gz IGHIDGRHPILVTR-UHFFFAOYSA-N 1 2 318.371 3.304 20 10 DGCDLO CCOc1ccc(N2CC[NH+]([C@@H](C)c3ncc(C)o3)CC2)cc1 ZINC001319753426 1108622786 /nfs/dbraw/zinc/62/27/86/1108622786.db2.gz KEEATXGTDJJCFJ-HNNXBMFYSA-N 1 2 315.417 3.265 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cccc2nsnc21 ZINC001308548548 1111441695 /nfs/dbraw/zinc/44/16/95/1111441695.db2.gz XBMBFPNEGJEFCK-UHFFFAOYSA-N 1 2 305.790 3.340 20 10 DGCDLO Cc1ccc([C@H]2COCC[N@H+]2Cc2ccc(N(C)C)cc2)o1 ZINC000093459574 193254753 /nfs/dbraw/zinc/25/47/53/193254753.db2.gz BRDOWWHSHRPSEE-QGZVFWFLSA-N 1 2 300.402 3.228 20 10 DGCDLO Cc1ccc([C@H]2COCC[N@@H+]2Cc2ccc(N(C)C)cc2)o1 ZINC000093459574 193254754 /nfs/dbraw/zinc/25/47/54/193254754.db2.gz BRDOWWHSHRPSEE-QGZVFWFLSA-N 1 2 300.402 3.228 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)c1ncnn1C ZINC000278387448 296149631 /nfs/dbraw/zinc/14/96/31/296149631.db2.gz DKYPTLCKWUYJIG-JGVFFNPUSA-N 1 2 315.204 3.239 20 10 DGCDLO COC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000273447789 130123626 /nfs/dbraw/zinc/12/36/26/130123626.db2.gz FLNOIHAAEABZBF-BLLLJJGKSA-N 1 2 316.357 3.339 20 10 DGCDLO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O)c1ncn(C)n1 ZINC000275694686 130365112 /nfs/dbraw/zinc/36/51/12/130365112.db2.gz JTIBDUZDLZTGGK-HTQZYQBOSA-N 1 2 315.204 3.239 20 10 DGCDLO CCOC1CC(O)(C[NH2+][C@@H](CC)c2cccc(Cl)c2O)C1 ZINC000286870083 131253670 /nfs/dbraw/zinc/25/36/70/131253670.db2.gz BRVNYYGIOWEZEJ-WMEQCIOUSA-N 1 2 313.825 3.016 20 10 DGCDLO CC[C@H]([NH2+]Cc1cnn(CCOC)c1)c1cccc(Cl)c1O ZINC000286988565 131259220 /nfs/dbraw/zinc/25/92/20/131259220.db2.gz JLQKAFKQSPKKOF-HNNXBMFYSA-N 1 2 323.824 3.129 20 10 DGCDLO CCNC(=O)C1(C[NH2+][C@H](CC)c2cccc(Cl)c2O)CCC1 ZINC000287708820 131295895 /nfs/dbraw/zinc/29/58/95/131295895.db2.gz NZXIKIAQGHYNSM-CQSZACIVSA-N 1 2 324.852 3.393 20 10 DGCDLO CCOCc1nc([C@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)no1 ZINC000289589504 131399244 /nfs/dbraw/zinc/39/92/44/131399244.db2.gz AVHMGVBWGAPIRO-OLZOCXBDSA-N 1 2 319.405 3.340 20 10 DGCDLO C[C@H]1CN(c2ccc(CNc3cccc[nH+]3)cc2F)C[C@H](C)O1 ZINC000052457074 400732346 /nfs/dbraw/zinc/73/23/46/400732346.db2.gz HNYKDXBOFGFTHW-KBPBESRZSA-N 1 2 315.392 3.446 20 10 DGCDLO CCc1nnc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000054116880 400810466 /nfs/dbraw/zinc/81/04/66/400810466.db2.gz XCXPKEYOAQHXEN-UHFFFAOYSA-N 1 2 314.433 3.254 20 10 DGCDLO CCc1nnc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000054116880 400810471 /nfs/dbraw/zinc/81/04/71/400810471.db2.gz XCXPKEYOAQHXEN-UHFFFAOYSA-N 1 2 314.433 3.254 20 10 DGCDLO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1cccc(Cl)c1O ZINC000287102644 286912767 /nfs/dbraw/zinc/91/27/67/286912767.db2.gz QDNWWZOOCFJJKL-CZUORRHYSA-N 1 2 324.852 3.345 20 10 DGCDLO COc1ccc(N2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000301896277 274113239 /nfs/dbraw/zinc/11/32/39/274113239.db2.gz UQFUMEPQAJZWAF-UHFFFAOYSA-N 1 2 322.412 3.288 20 10 DGCDLO CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cccc(Cl)c1O ZINC000287755856 288046648 /nfs/dbraw/zinc/04/66/48/288046648.db2.gz QOMACJDKSGVESW-CMPLNLGQSA-N 1 2 311.731 3.400 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc(Cl)c1O ZINC000376861888 288091726 /nfs/dbraw/zinc/09/17/26/288091726.db2.gz VKPWYYGIFNNLNK-FZMZJTMJSA-N 1 2 305.809 3.367 20 10 DGCDLO Cc1nc(C2([NH2+]Cc3cc(C)c(C)cc3O)CCCC2)no1 ZINC000068424997 431129312 /nfs/dbraw/zinc/12/93/12/431129312.db2.gz QOEUYZGRRSUZON-UHFFFAOYSA-N 1 2 301.390 3.260 20 10 DGCDLO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000184981615 279565570 /nfs/dbraw/zinc/56/55/70/279565570.db2.gz MBCZLNARFAXVKI-SECBINFHSA-N 1 2 319.232 3.264 20 10 DGCDLO CC[C@H]([NH2+]Cc1cn[nH]c1C)c1cc(Br)ccc1O ZINC000038011171 431853182 /nfs/dbraw/zinc/85/31/82/431853182.db2.gz CDNPEIJNMYIIED-ZDUSSCGKSA-N 1 2 324.222 3.427 20 10 DGCDLO Cc1cc([C@@](C)(O)C[NH2+]Cc2cccc(Cl)c2O)c(C)o1 ZINC000271871311 432426915 /nfs/dbraw/zinc/42/69/15/432426915.db2.gz XTDPQQIUSRKMOY-INIZCTEOSA-N 1 2 309.793 3.253 20 10 DGCDLO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187714398 432678984 /nfs/dbraw/zinc/67/89/84/432678984.db2.gz HPKSQDURIGXTTG-ZUZCIYMTSA-N 1 2 323.339 3.063 20 10 DGCDLO C[C@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1cc(F)ccc1O ZINC000296333546 432897033 /nfs/dbraw/zinc/89/70/33/432897033.db2.gz HLBMQUATZCFILV-QMMMGPOBSA-N 1 2 315.270 3.191 20 10 DGCDLO CN(C)c1ccc(C[N@H+](Cc2ccco2)Cc2ccnn2C)cc1 ZINC000289711998 432973106 /nfs/dbraw/zinc/97/31/06/432973106.db2.gz GSPCCSZDGPAQFS-UHFFFAOYSA-N 1 2 324.428 3.282 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccnn2C)cc1 ZINC000289711998 432973114 /nfs/dbraw/zinc/97/31/14/432973114.db2.gz GSPCCSZDGPAQFS-UHFFFAOYSA-N 1 2 324.428 3.282 20 10 DGCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](CC)c2ccc(C)cc2O)no1 ZINC000290183160 433009140 /nfs/dbraw/zinc/00/91/40/433009140.db2.gz NSGXJGGFGNQJBD-JSGCOSHPSA-N 1 2 319.405 3.422 20 10 DGCDLO CCOCc1nc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000290214345 433014020 /nfs/dbraw/zinc/01/40/20/433014020.db2.gz QEKMQCDAIICULP-OLZOCXBDSA-N 1 2 318.421 3.084 20 10 DGCDLO CCc1nc(C)c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)o1 ZINC000291822816 433365239 /nfs/dbraw/zinc/36/52/39/433365239.db2.gz DOFLGFLTIYNITR-SECBINFHSA-N 1 2 305.334 3.010 20 10 DGCDLO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000375355814 433436382 /nfs/dbraw/zinc/43/63/82/433436382.db2.gz XQKPAJSBXYMPIX-GFCCVEGCSA-N 1 2 322.206 3.215 20 10 DGCDLO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000375355814 433436387 /nfs/dbraw/zinc/43/63/87/433436387.db2.gz XQKPAJSBXYMPIX-GFCCVEGCSA-N 1 2 322.206 3.215 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@@H+]2Cc2cc(C)ccc2O)no1 ZINC000362095205 433526212 /nfs/dbraw/zinc/52/62/12/433526212.db2.gz BLWTYGMOEOCFHE-AWEZNQCLSA-N 1 2 301.390 3.373 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@H+]2Cc2cc(C)ccc2O)no1 ZINC000362095205 433526223 /nfs/dbraw/zinc/52/62/23/433526223.db2.gz BLWTYGMOEOCFHE-AWEZNQCLSA-N 1 2 301.390 3.373 20 10 DGCDLO Cc1n[nH]c(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)n1 ZINC000278637086 293257816 /nfs/dbraw/zinc/25/78/16/293257816.db2.gz HHQFMZMPQDGKRV-SSDOTTSWSA-N 1 2 315.204 3.019 20 10 DGCDLO Cc1nc(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)n[nH]1 ZINC000278637086 293257820 /nfs/dbraw/zinc/25/78/20/293257820.db2.gz HHQFMZMPQDGKRV-SSDOTTSWSA-N 1 2 315.204 3.019 20 10 DGCDLO Cc1nnc(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)[nH]1 ZINC000278637086 293257823 /nfs/dbraw/zinc/25/78/23/293257823.db2.gz HHQFMZMPQDGKRV-SSDOTTSWSA-N 1 2 315.204 3.019 20 10 DGCDLO CCn1nncc1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000527918860 337774790 /nfs/dbraw/zinc/77/47/90/337774790.db2.gz FERLAAWUBVTELD-MRVPVSSYSA-N 1 2 315.204 3.161 20 10 DGCDLO Cc1c2ccccc2n(C)c1CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000548746826 341271861 /nfs/dbraw/zinc/27/18/61/341271861.db2.gz VRHOVTTWGVTVDE-UHFFFAOYSA-N 1 2 322.412 3.242 20 10 DGCDLO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000191683802 524466411 /nfs/dbraw/zinc/46/64/11/524466411.db2.gz OLYXUPPLRAWTGK-HNNXBMFYSA-N 1 2 305.805 3.047 20 10 DGCDLO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000287687592 535573987 /nfs/dbraw/zinc/57/39/87/535573987.db2.gz MYPZPNFQZKPCAP-RISCZKNCSA-N 1 2 312.841 3.391 20 10 DGCDLO COc1ccc([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000731149670 574543941 /nfs/dbraw/zinc/54/39/41/574543941.db2.gz DHWWYODVIPUNQP-UHFFFAOYSA-N 1 2 306.406 3.189 20 10 DGCDLO CO[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000733329604 574616638 /nfs/dbraw/zinc/61/66/38/574616638.db2.gz WEHSDGUGMGBBFK-VIFPVBQESA-N 1 2 318.122 3.366 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@@H](C(F)(F)F)O1 ZINC000744445452 575343376 /nfs/dbraw/zinc/34/33/76/575343376.db2.gz VSNUVRIRHMXFDV-BMIGLBTASA-N 1 2 315.335 3.033 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@@H](C(F)(F)F)O1 ZINC000744445452 575343378 /nfs/dbraw/zinc/34/33/78/575343378.db2.gz VSNUVRIRHMXFDV-BMIGLBTASA-N 1 2 315.335 3.033 20 10 DGCDLO CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000746756594 575473733 /nfs/dbraw/zinc/47/37/33/575473733.db2.gz UVWZBMSDXILOKQ-NWDGAFQWSA-N 1 2 314.223 3.202 20 10 DGCDLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(F)cc(F)c1O ZINC000894068185 618703886 /nfs/dbraw/zinc/70/38/86/618703886.db2.gz QVJCTFFNTRETHT-UHFFFAOYSA-N 1 2 311.328 3.220 20 10 DGCDLO CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H]1CCCOC1 ZINC000895661343 618813972 /nfs/dbraw/zinc/81/39/72/618813972.db2.gz ABKAPFGPFANIIG-HZMBPMFUSA-N 1 2 301.789 3.480 20 10 DGCDLO Cc1cc(CO)cc(C)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000896562860 618928631 /nfs/dbraw/zinc/92/86/31/618928631.db2.gz ZYFNJWKVNNDXOE-UHFFFAOYSA-N 1 2 305.805 3.445 20 10 DGCDLO CCn1c[nH+]c2c1CCN(Cc1cc(Cl)c(C)cc1O)C2 ZINC000897333354 619061896 /nfs/dbraw/zinc/06/18/96/619061896.db2.gz FHTRJZKRVYKDTQ-UHFFFAOYSA-N 1 2 305.809 3.129 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897431193 619119004 /nfs/dbraw/zinc/11/90/04/619119004.db2.gz BJCWJHQATAYIJO-UHFFFAOYSA-N 1 2 305.809 3.332 20 10 DGCDLO Cc1nn(C)c(C[NH2+]Cc2cccc(Cl)c2O)c1Cl ZINC000898215308 619222458 /nfs/dbraw/zinc/22/24/58/619222458.db2.gz KZXBMYDBKQFIOA-UHFFFAOYSA-N 1 2 300.189 3.031 20 10 DGCDLO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]1C ZINC000898218802 619222908 /nfs/dbraw/zinc/22/29/08/619222908.db2.gz PRPQGFOJXJCGQH-MJVIPROJSA-N 1 2 311.809 3.113 20 10 DGCDLO Cc1occc1CNC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449356 619276125 /nfs/dbraw/zinc/27/61/25/619276125.db2.gz CJAQFTDNBDTWJL-GOSISDBHSA-N 1 2 301.434 3.047 20 10 DGCDLO Oc1ccc2ccncc2c1C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000902408136 619628156 /nfs/dbraw/zinc/62/81/56/619628156.db2.gz XODVEWCSWURONL-UHFFFAOYSA-N 1 2 320.396 3.030 20 10 DGCDLO Oc1ccc2ccncc2c1C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000902408136 619628158 /nfs/dbraw/zinc/62/81/58/619628158.db2.gz XODVEWCSWURONL-UHFFFAOYSA-N 1 2 320.396 3.030 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000922699818 621084724 /nfs/dbraw/zinc/08/47/24/621084724.db2.gz HZZQZOJOWDRACD-UHFFFAOYSA-N 1 2 310.369 3.296 20 10 DGCDLO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1cc(F)cc(F)c1O ZINC000756420060 621118805 /nfs/dbraw/zinc/11/88/05/621118805.db2.gz VSFWWQIMQDKBRE-SNVBAGLBSA-N 1 2 313.344 3.007 20 10 DGCDLO CCN(C)c1ccc(C[N@@H+]2Cc3ccccc3N(C)C(=O)C2)cc1 ZINC000857887432 621127729 /nfs/dbraw/zinc/12/77/29/621127729.db2.gz QLNNAEQBKCCYKU-UHFFFAOYSA-N 1 2 323.440 3.121 20 10 DGCDLO CCN(C)c1ccc(C[N@H+]2Cc3ccccc3N(C)C(=O)C2)cc1 ZINC000857887432 621127730 /nfs/dbraw/zinc/12/77/30/621127730.db2.gz QLNNAEQBKCCYKU-UHFFFAOYSA-N 1 2 323.440 3.121 20 10 DGCDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)c2nccn21 ZINC000858171766 621161093 /nfs/dbraw/zinc/16/10/93/621161093.db2.gz CQDCJOPLTZEZDX-QMTHXVAHSA-N 1 2 306.360 3.023 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2cc(COC)on2)cc1 ZINC000838786806 621280370 /nfs/dbraw/zinc/28/03/70/621280370.db2.gz DXWOJLIHRANKPC-UHFFFAOYSA-N 1 2 317.433 3.299 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc(COC)on2)cc1 ZINC000838786806 621280372 /nfs/dbraw/zinc/28/03/72/621280372.db2.gz DXWOJLIHRANKPC-UHFFFAOYSA-N 1 2 317.433 3.299 20 10 DGCDLO C[C@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000753584955 621451374 /nfs/dbraw/zinc/45/13/74/621451374.db2.gz CHBUOWKDFMUUJA-QWRGUYRKSA-N 1 2 301.789 3.480 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1F ZINC000862530538 621597275 /nfs/dbraw/zinc/59/72/75/621597275.db2.gz OEIYHXMXFVFLAH-OAHLLOKOSA-N 1 2 312.404 3.232 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1F ZINC000862530538 621597276 /nfs/dbraw/zinc/59/72/76/621597276.db2.gz OEIYHXMXFVFLAH-OAHLLOKOSA-N 1 2 312.404 3.232 20 10 DGCDLO C[C@H]([NH2+]CCCOCC(F)(F)F)c1cc(F)cc(F)c1O ZINC000756399716 621635497 /nfs/dbraw/zinc/63/54/97/621635497.db2.gz FTPAFBCNYSOAHY-QMMMGPOBSA-N 1 2 313.266 3.290 20 10 DGCDLO Cc1cc(CNC(=O)CCc2c[nH]c[nH+]2)c(C)n1-c1ccccc1 ZINC000863164383 621644000 /nfs/dbraw/zinc/64/40/00/621644000.db2.gz IHNDQYQCXBLHSL-UHFFFAOYSA-N 1 2 322.412 3.066 20 10 DGCDLO Cc1cc(CNC(=O)CCc2c[nH+]c[nH]2)c(C)n1-c1ccccc1 ZINC000863164383 621644002 /nfs/dbraw/zinc/64/40/02/621644002.db2.gz IHNDQYQCXBLHSL-UHFFFAOYSA-N 1 2 322.412 3.066 20 10 DGCDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1O ZINC000756514032 621644057 /nfs/dbraw/zinc/64/40/57/621644057.db2.gz CXPNFRYVORKIHS-JTQLQIEISA-N 1 2 305.324 3.456 20 10 DGCDLO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756605840 621652019 /nfs/dbraw/zinc/65/20/19/621652019.db2.gz VAHKIWAANGZFDE-MEDUHNTESA-N 1 2 307.340 3.445 20 10 DGCDLO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756615982 621653269 /nfs/dbraw/zinc/65/32/69/621653269.db2.gz YABBQIFONDJEIR-UWVGGRQHSA-N 1 2 323.387 3.303 20 10 DGCDLO Cn1nc(C[NH2+]Cc2cccc(Cl)c2O)c2ccccc21 ZINC000761225593 621995578 /nfs/dbraw/zinc/99/55/78/621995578.db2.gz JUCDJFIJMYOYPZ-UHFFFAOYSA-N 1 2 301.777 3.222 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)[C@H](O)C(F)(F)F)c1cccc(Cl)c1O ZINC000866463950 622122455 /nfs/dbraw/zinc/12/24/55/622122455.db2.gz REZLSYOKJFSGQM-VHRDEZTHSA-N 1 2 311.731 3.398 20 10 DGCDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000121634073 622167595 /nfs/dbraw/zinc/16/75/95/622167595.db2.gz NSWZONTZPVEYLD-LBPRGKRZSA-N 1 2 323.433 3.167 20 10 DGCDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000121634073 622167596 /nfs/dbraw/zinc/16/75/96/622167596.db2.gz NSWZONTZPVEYLD-LBPRGKRZSA-N 1 2 323.433 3.167 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)CC(=O)OC(C)(C)C)cc1 ZINC000764821168 622223714 /nfs/dbraw/zinc/22/37/14/622223714.db2.gz XSJRDIUSDMJKOT-UHFFFAOYSA-N 1 2 306.450 3.306 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)OC(C)(C)C)cc1 ZINC000764821168 622223715 /nfs/dbraw/zinc/22/37/15/622223715.db2.gz XSJRDIUSDMJKOT-UHFFFAOYSA-N 1 2 306.450 3.306 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)cc1 ZINC000769525182 622538042 /nfs/dbraw/zinc/53/80/42/622538042.db2.gz PSCHACSJHDNYEJ-OAHLLOKOSA-N 1 2 306.450 3.305 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)cc1 ZINC000769525182 622538044 /nfs/dbraw/zinc/53/80/44/622538044.db2.gz PSCHACSJHDNYEJ-OAHLLOKOSA-N 1 2 306.450 3.305 20 10 DGCDLO C[C@H](N1CC[NH+](Cc2c(O)cccc2Cl)CC1)C(F)(F)F ZINC000769554308 622540213 /nfs/dbraw/zinc/54/02/13/622540213.db2.gz NFVGKFQXTRFWFI-JTQLQIEISA-N 1 2 322.758 3.114 20 10 DGCDLO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000124497607 623126276 /nfs/dbraw/zinc/12/62/76/623126276.db2.gz DAEITPCETJIOSP-PHIMTYICSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000124497607 623126280 /nfs/dbraw/zinc/12/62/80/623126280.db2.gz DAEITPCETJIOSP-PHIMTYICSA-N 1 2 314.223 3.072 20 10 DGCDLO CC1(C)CCCN(CC[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000775185745 623239420 /nfs/dbraw/zinc/23/94/20/623239420.db2.gz VQLMIXKTLSXISC-UHFFFAOYSA-N 1 2 314.832 3.396 20 10 DGCDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1ccccc1O ZINC000775542339 623286913 /nfs/dbraw/zinc/28/69/13/623286913.db2.gz NSNZAYHQDWQQOS-OAHLLOKOSA-N 1 2 308.385 3.418 20 10 DGCDLO CC[C@@H]([NH2+]Cc1nc(-c2ccccc2)n[nH]1)c1ccccc1O ZINC000775542339 623286915 /nfs/dbraw/zinc/28/69/15/623286915.db2.gz NSNZAYHQDWQQOS-OAHLLOKOSA-N 1 2 308.385 3.418 20 10 DGCDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775643610 623302294 /nfs/dbraw/zinc/30/22/94/623302294.db2.gz SPDZNKPQUQSZBU-AWEZNQCLSA-N 1 2 311.809 3.272 20 10 DGCDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000775643610 623302298 /nfs/dbraw/zinc/30/22/98/623302298.db2.gz SPDZNKPQUQSZBU-AWEZNQCLSA-N 1 2 311.809 3.272 20 10 DGCDLO OCC[N@H+](CCc1ccccc1)Cc1cccc(Cl)c1O ZINC000775697055 623315623 /nfs/dbraw/zinc/31/56/23/623315623.db2.gz SVKPALULIXCRPV-UHFFFAOYSA-N 1 2 305.805 3.083 20 10 DGCDLO OCC[N@@H+](CCc1ccccc1)Cc1cccc(Cl)c1O ZINC000775697055 623315627 /nfs/dbraw/zinc/31/56/27/623315627.db2.gz SVKPALULIXCRPV-UHFFFAOYSA-N 1 2 305.805 3.083 20 10 DGCDLO CCCCc1noc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775834070 623339403 /nfs/dbraw/zinc/33/94/03/623339403.db2.gz OZGDNIBGGAHSDQ-ZDUSSCGKSA-N 1 2 302.422 3.329 20 10 DGCDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000775987671 623361156 /nfs/dbraw/zinc/36/11/56/623361156.db2.gz VZQRUYNTGBPJGI-NXEZZACHSA-N 1 2 303.233 3.223 20 10 DGCDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000775987671 623361167 /nfs/dbraw/zinc/36/11/67/623361167.db2.gz VZQRUYNTGBPJGI-NXEZZACHSA-N 1 2 303.233 3.223 20 10 DGCDLO CCOc1ccc(C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C)c(O)c1 ZINC000776251670 623401579 /nfs/dbraw/zinc/40/15/79/623401579.db2.gz RRCRMPUSEARGHG-INIZCTEOSA-N 1 2 323.433 3.247 20 10 DGCDLO C[C@@H](CCO)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCC1 ZINC000776256605 623402428 /nfs/dbraw/zinc/40/24/28/623402428.db2.gz CVRFHIHWMXBKNY-NSHDSACASA-N 1 2 315.816 3.463 20 10 DGCDLO CCC1(O)CCC([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000776256935 623402595 /nfs/dbraw/zinc/40/25/95/623402595.db2.gz TXZRKUOVMGKOGD-UHFFFAOYSA-N 1 2 301.789 3.358 20 10 DGCDLO Cc1cc(Br)c(O)c(CNc2cc[nH+]cc2F)c1 ZINC000776265757 623404442 /nfs/dbraw/zinc/40/44/42/623404442.db2.gz PAQJHBMQQLASAY-UHFFFAOYSA-N 1 2 311.154 3.031 20 10 DGCDLO OCC[N@H+](Cc1ccc(F)c(F)c1O)[C@@H]1CCc2ccccc21 ZINC000876737382 623692388 /nfs/dbraw/zinc/69/23/88/623692388.db2.gz SKYZZMIMPCUHGQ-MRXNPFEDSA-N 1 2 319.351 3.152 20 10 DGCDLO OCC[N@@H+](Cc1ccc(F)c(F)c1O)[C@@H]1CCc2ccccc21 ZINC000876737382 623692391 /nfs/dbraw/zinc/69/23/91/623692391.db2.gz SKYZZMIMPCUHGQ-MRXNPFEDSA-N 1 2 319.351 3.152 20 10 DGCDLO C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)CC1(C)OCCO1 ZINC000877670441 623985200 /nfs/dbraw/zinc/98/52/00/623985200.db2.gz QCRQPKACOOKGNE-SNVBAGLBSA-N 1 2 317.788 3.064 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000877709472 624000837 /nfs/dbraw/zinc/00/08/37/624000837.db2.gz ACVJSGXYCKQKLH-ABAIWWIYSA-N 1 2 313.800 3.480 20 10 DGCDLO Cn1cc(C(F)F)c(C[NH2+]Cc2cccc(Cl)c2O)n1 ZINC000877734220 624008478 /nfs/dbraw/zinc/00/84/78/624008478.db2.gz MSGCZGVHWBRJQY-UHFFFAOYSA-N 1 2 301.724 3.007 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cccc(Cl)c1O ZINC000806148758 624074025 /nfs/dbraw/zinc/07/40/25/624074025.db2.gz YAQMGBGJDIKWKY-JLUCKKNBSA-N 1 2 322.836 3.096 20 10 DGCDLO c1c[nH]c([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2ccccc2)n1 ZINC000783238893 624329102 /nfs/dbraw/zinc/32/91/02/624329102.db2.gz UQLJTLXHMNVDMW-SFHVURJKSA-N 1 2 305.381 3.224 20 10 DGCDLO OCCCC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000783600346 624373200 /nfs/dbraw/zinc/37/32/00/624373200.db2.gz YMKMBCQNBIFDDV-UHFFFAOYSA-N 1 2 301.789 3.169 20 10 DGCDLO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000790934593 625718090 /nfs/dbraw/zinc/71/80/90/625718090.db2.gz NRZXYHORKYGJCC-GXFFZTMASA-N 1 2 301.789 3.310 20 10 DGCDLO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000790934593 625718096 /nfs/dbraw/zinc/71/80/96/625718096.db2.gz NRZXYHORKYGJCC-GXFFZTMASA-N 1 2 301.789 3.310 20 10 DGCDLO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000786584837 624926037 /nfs/dbraw/zinc/92/60/37/624926037.db2.gz UXAGJHWVQLOEAK-IUODEOHRSA-N 1 2 321.367 3.233 20 10 DGCDLO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000786583256 624926366 /nfs/dbraw/zinc/92/63/66/624926366.db2.gz QBQUBEUZUOQOMZ-WFASDCNBSA-N 1 2 321.367 3.233 20 10 DGCDLO COc1cnccc1[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790993322 625733291 /nfs/dbraw/zinc/73/32/91/625733291.db2.gz TXAQEEUCKBSMJU-SECBINFHSA-N 1 2 310.756 3.439 20 10 DGCDLO CCc1ccc([C@H](COC)[NH2+]Cc2cc(F)cc(F)c2O)o1 ZINC000883017797 625898560 /nfs/dbraw/zinc/89/85/60/625898560.db2.gz BHPBMUVYIILBKI-AWEZNQCLSA-N 1 2 311.328 3.303 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843103884 626627409 /nfs/dbraw/zinc/62/74/09/626627409.db2.gz DRHWPRKRXLWXPR-TXEJJXNPSA-N 1 2 301.217 3.025 20 10 DGCDLO Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)c[nH+]c1C ZINC000883342391 626654373 /nfs/dbraw/zinc/65/43/73/626654373.db2.gz VKLQVBGWBHTROB-UHFFFAOYSA-N 1 2 315.392 3.286 20 10 DGCDLO CC[C@@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1cccc(Cl)c1O ZINC000883395907 626671834 /nfs/dbraw/zinc/67/18/34/626671834.db2.gz DTLDHCJUMLVPBZ-SWLSCSKDSA-N 1 2 322.836 3.097 20 10 DGCDLO Cc1ccc2[nH+]c(NCc3ccc(N4CCOCC4)cc3)[nH]c2c1 ZINC000883407694 626675486 /nfs/dbraw/zinc/67/54/86/626675486.db2.gz BUFKFZQLBDYIAP-UHFFFAOYSA-N 1 2 322.412 3.320 20 10 DGCDLO C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)c1ccc(N(C)C)cc1 ZINC000804622139 626698857 /nfs/dbraw/zinc/69/88/57/626698857.db2.gz UHMGLFFDQGEGEN-CQSZACIVSA-N 1 2 311.433 3.316 20 10 DGCDLO C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)c1ccc(N(C)C)cc1 ZINC000804622139 626698859 /nfs/dbraw/zinc/69/88/59/626698859.db2.gz UHMGLFFDQGEGEN-CQSZACIVSA-N 1 2 311.433 3.316 20 10 DGCDLO COc1cc(C)cc(C[N@@H+]2CC(C)(C)[C@@H]2c2nccn2C)c1O ZINC000840110291 626764876 /nfs/dbraw/zinc/76/48/76/626764876.db2.gz XPOSXGBDEGGZLF-INIZCTEOSA-N 1 2 315.417 3.026 20 10 DGCDLO COc1cc(C)cc(C[N@H+]2CC(C)(C)[C@@H]2c2nccn2C)c1O ZINC000840110291 626764878 /nfs/dbraw/zinc/76/48/78/626764878.db2.gz XPOSXGBDEGGZLF-INIZCTEOSA-N 1 2 315.417 3.026 20 10 DGCDLO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)c1O ZINC000808701791 626851066 /nfs/dbraw/zinc/85/10/66/626851066.db2.gz IRFJNAOPXYMFIN-MFKMUULPSA-N 1 2 305.809 3.285 20 10 DGCDLO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000810258102 626993863 /nfs/dbraw/zinc/99/38/63/626993863.db2.gz ZGLHEKYYMDNXRT-VGMNWLOBSA-N 1 2 320.202 3.368 20 10 DGCDLO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccccc1F ZINC000886631620 627177343 /nfs/dbraw/zinc/17/73/43/627177343.db2.gz RHQGGIYCUAVXMW-RVPKQNPDSA-N 1 2 307.340 3.443 20 10 DGCDLO Cn1nc2c(c1C[NH2+]Cc1cc(Cl)cc(F)c1O)CCCC2 ZINC000812773777 627418965 /nfs/dbraw/zinc/41/89/65/627418965.db2.gz RBRCFPGTRVMBEC-UHFFFAOYSA-N 1 2 323.799 3.087 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H](O)Cc1ccccc1 ZINC000816625115 627816320 /nfs/dbraw/zinc/81/63/20/627816320.db2.gz RVMKQJHKIDYCGW-HNNXBMFYSA-N 1 2 323.795 3.220 20 10 DGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H](O)Cc1ccccc1 ZINC000816625115 627816326 /nfs/dbraw/zinc/81/63/26/627816326.db2.gz RVMKQJHKIDYCGW-HNNXBMFYSA-N 1 2 323.795 3.220 20 10 DGCDLO CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976208 627980572 /nfs/dbraw/zinc/98/05/72/627980572.db2.gz IDBHMPMRQKIJHE-HOTUBEGUSA-N 1 2 321.223 3.440 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(Br)cc(F)c1O ZINC000818355896 628017983 /nfs/dbraw/zinc/01/79/83/628017983.db2.gz KYMRFEMVHOXJFZ-RDDDGLTNSA-N 1 2 300.171 3.497 20 10 DGCDLO CC(C)[N@H+](Cc1nc(C(F)F)no1)Cc1ccc(N(C)C)cc1 ZINC000822583069 628467335 /nfs/dbraw/zinc/46/73/35/628467335.db2.gz IHNANQKQBNGPNI-UHFFFAOYSA-N 1 2 324.375 3.484 20 10 DGCDLO CC(C)[N@@H+](Cc1nc(C(F)F)no1)Cc1ccc(N(C)C)cc1 ZINC000822583069 628467337 /nfs/dbraw/zinc/46/73/37/628467337.db2.gz IHNANQKQBNGPNI-UHFFFAOYSA-N 1 2 324.375 3.484 20 10 DGCDLO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cccc(Cl)c1O ZINC000824555600 628670850 /nfs/dbraw/zinc/67/08/50/628670850.db2.gz VNMADCYCXDCQSM-JTQLQIEISA-N 1 2 311.731 3.493 20 10 DGCDLO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1(C)C ZINC000824820974 628697570 /nfs/dbraw/zinc/69/75/70/628697570.db2.gz RVKSDBBPQCIZAS-CYBMUJFWSA-N 1 2 301.789 3.432 20 10 DGCDLO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1(C)C ZINC000824820974 628697572 /nfs/dbraw/zinc/69/75/72/628697572.db2.gz RVKSDBBPQCIZAS-CYBMUJFWSA-N 1 2 301.789 3.432 20 10 DGCDLO CC1(C)CCCN1CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000825325606 628749736 /nfs/dbraw/zinc/74/97/36/628749736.db2.gz GCIRHQMXJRDCQD-UHFFFAOYSA-N 1 2 300.805 3.149 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@@H]1F ZINC000825440811 628762142 /nfs/dbraw/zinc/76/21/42/628762142.db2.gz LDOORQMCGDKLGI-CABZTGNLSA-N 1 2 302.187 3.335 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C[C@@H]1F ZINC000825440811 628762143 /nfs/dbraw/zinc/76/21/43/628762143.db2.gz LDOORQMCGDKLGI-CABZTGNLSA-N 1 2 302.187 3.335 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@H](C)[S@]1=O ZINC000825886828 628807460 /nfs/dbraw/zinc/80/74/60/628807460.db2.gz QQVPFVHTYVVBCR-SZZPBAKOSA-N 1 2 315.866 3.085 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)C[C@H](C)[S@]1=O ZINC000825886828 628807461 /nfs/dbraw/zinc/80/74/61/628807461.db2.gz QQVPFVHTYVVBCR-SZZPBAKOSA-N 1 2 315.866 3.085 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000827179448 628932749 /nfs/dbraw/zinc/93/27/49/628932749.db2.gz YBDBPZDNHSJUPS-GJZGRUSLSA-N 1 2 307.752 3.453 20 10 DGCDLO CNC(=O)CC1(C[NH2+]Cc2cccc(Cl)c2O)CCCCC1 ZINC000827594265 628974858 /nfs/dbraw/zinc/97/48/58/628974858.db2.gz FKTMVUNNKSCDCA-UHFFFAOYSA-N 1 2 324.852 3.222 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H](CC(F)(F)F)O1 ZINC000827787109 628991015 /nfs/dbraw/zinc/99/10/15/628991015.db2.gz MIOJUKQUNMDJQU-JOYOIKCWSA-N 1 2 307.287 3.073 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H](CC(F)(F)F)O1 ZINC000827787109 628991018 /nfs/dbraw/zinc/99/10/18/628991018.db2.gz MIOJUKQUNMDJQU-JOYOIKCWSA-N 1 2 307.287 3.073 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000835027973 629829187 /nfs/dbraw/zinc/82/91/87/629829187.db2.gz HUGOUPQXWQQPOO-JUGMSXHOSA-N 1 2 312.413 3.432 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000835027973 629829188 /nfs/dbraw/zinc/82/91/88/629829188.db2.gz HUGOUPQXWQQPOO-JUGMSXHOSA-N 1 2 312.413 3.432 20 10 DGCDLO COc1cccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1O ZINC000836627774 630143314 /nfs/dbraw/zinc/14/33/14/630143314.db2.gz ACNWSWHNVYMTOO-UHFFFAOYSA-N 1 2 315.373 3.043 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840956713 630384903 /nfs/dbraw/zinc/38/49/03/630384903.db2.gz CSLURHRDQUVURS-GDBMZVCRSA-N 1 2 321.779 3.493 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840956713 630384906 /nfs/dbraw/zinc/38/49/06/630384906.db2.gz CSLURHRDQUVURS-GDBMZVCRSA-N 1 2 321.779 3.493 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000841069286 630404489 /nfs/dbraw/zinc/40/44/89/630404489.db2.gz RXIAQOXHUUEYNW-HNNXBMFYSA-N 1 2 320.795 3.161 20 10 DGCDLO CC(C)(C)OC(=O)C[N@@H+](Cc1cccc(F)c1O)CC1CC1 ZINC000846051954 631208297 /nfs/dbraw/zinc/20/82/97/631208297.db2.gz AAAZLFHYGHSXHG-UHFFFAOYSA-N 1 2 309.381 3.085 20 10 DGCDLO CC(C)(C)OC(=O)C[N@H+](Cc1cccc(F)c1O)CC1CC1 ZINC000846051954 631208298 /nfs/dbraw/zinc/20/82/98/631208298.db2.gz AAAZLFHYGHSXHG-UHFFFAOYSA-N 1 2 309.381 3.085 20 10 DGCDLO Cc1noc([C@H](C)[N@H+](C)C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000848925772 631791381 /nfs/dbraw/zinc/79/13/81/631791381.db2.gz JXURBNKEHPKTGL-YBJDMEARSA-N 1 2 300.406 3.150 20 10 DGCDLO Cc1noc([C@H](C)[N@@H+](C)C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000848925772 631791383 /nfs/dbraw/zinc/79/13/83/631791383.db2.gz JXURBNKEHPKTGL-YBJDMEARSA-N 1 2 300.406 3.150 20 10 DGCDLO C[C@H]1CCCN(C(=[NH2+])NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000849078403 631828645 /nfs/dbraw/zinc/82/86/45/631828645.db2.gz ZGKQXEZJENLDAL-VIFPVBQESA-N 1 2 316.232 3.455 20 10 DGCDLO CC[C@H]([NH2+]CC[C@H](COC)OC)c1cccc(Cl)c1O ZINC000850487256 632167510 /nfs/dbraw/zinc/16/75/10/632167510.db2.gz YNBNVKRTBHMLTJ-RISCZKNCSA-N 1 2 301.814 3.138 20 10 DGCDLO CCc1nnc([C@@H](C)[N@@H+](C)Cc2ccc(N(CC)CC)cc2)[nH]1 ZINC000851716519 632472836 /nfs/dbraw/zinc/47/28/36/632472836.db2.gz NXZADRXLGNWDNF-CQSZACIVSA-N 1 2 315.465 3.406 20 10 DGCDLO CCc1nnc([C@@H](C)[N@H+](C)Cc2ccc(N(CC)CC)cc2)[nH]1 ZINC000851716519 632472838 /nfs/dbraw/zinc/47/28/38/632472838.db2.gz NXZADRXLGNWDNF-CQSZACIVSA-N 1 2 315.465 3.406 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)[C@@H](C)CO1 ZINC000707143455 660888231 /nfs/dbraw/zinc/88/82/31/660888231.db2.gz SHQUEZHEJBJJKV-WDEREUQCSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)[C@@H](C)CO1 ZINC000707143455 660888232 /nfs/dbraw/zinc/88/82/32/660888232.db2.gz SHQUEZHEJBJJKV-WDEREUQCSA-N 1 2 314.223 3.154 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H](C)O1 ZINC000792761140 660983110 /nfs/dbraw/zinc/98/31/10/660983110.db2.gz JRRQPEAZTGUUNY-TXEJJXNPSA-N 1 2 316.367 3.381 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H](C)O1 ZINC000792761140 660983113 /nfs/dbraw/zinc/98/31/13/660983113.db2.gz JRRQPEAZTGUUNY-TXEJJXNPSA-N 1 2 316.367 3.381 20 10 DGCDLO CC(C)n1cnnc1C[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000793805699 661058398 /nfs/dbraw/zinc/05/83/98/661058398.db2.gz NKKHDVGWZAZDNT-UHFFFAOYSA-N 1 2 314.433 3.075 20 10 DGCDLO CC(C)n1cnnc1C[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000793805699 661058401 /nfs/dbraw/zinc/05/84/01/661058401.db2.gz NKKHDVGWZAZDNT-UHFFFAOYSA-N 1 2 314.433 3.075 20 10 DGCDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000795694237 661168098 /nfs/dbraw/zinc/16/80/98/661168098.db2.gz OSAAHCFVSUVOIY-BMIGLBTASA-N 1 2 315.335 3.033 20 10 DGCDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000795694237 661168100 /nfs/dbraw/zinc/16/81/00/661168100.db2.gz OSAAHCFVSUVOIY-BMIGLBTASA-N 1 2 315.335 3.033 20 10 DGCDLO COC(=O)c1cccc(Cl)c1C[N@H+](C)Cc1ccccc1O ZINC000795957592 661181834 /nfs/dbraw/zinc/18/18/34/661181834.db2.gz TWQRUETXHKBUAK-UHFFFAOYSA-N 1 2 319.788 3.464 20 10 DGCDLO COC(=O)c1cccc(Cl)c1C[N@@H+](C)Cc1ccccc1O ZINC000795957592 661181836 /nfs/dbraw/zinc/18/18/36/661181836.db2.gz TWQRUETXHKBUAK-UHFFFAOYSA-N 1 2 319.788 3.464 20 10 DGCDLO C[N@H+](Cc1ccccc1O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000795957922 661181890 /nfs/dbraw/zinc/18/18/90/661181890.db2.gz VFDGQNJQORPILJ-UHFFFAOYSA-N 1 2 308.284 3.211 20 10 DGCDLO C[N@@H+](Cc1ccccc1O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000795957922 661181891 /nfs/dbraw/zinc/18/18/91/661181891.db2.gz VFDGQNJQORPILJ-UHFFFAOYSA-N 1 2 308.284 3.211 20 10 DGCDLO C[C@@H]1CSCC[N@H+]1Cc1cccc(Br)c1O ZINC000179664086 655911005 /nfs/dbraw/zinc/91/10/05/655911005.db2.gz QTWWDVWLRNPXTH-SECBINFHSA-N 1 2 302.237 3.092 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000715712144 661213949 /nfs/dbraw/zinc/21/39/49/661213949.db2.gz IZJCHDARMRXTBJ-NSHDSACASA-N 1 2 316.170 3.076 20 10 DGCDLO C[C@H](Cc1ccco1)[NH2+]Cc1cccc(Br)c1O ZINC000042412004 658772060 /nfs/dbraw/zinc/77/20/60/658772060.db2.gz ZSFBLSDZBVYBJJ-SNVBAGLBSA-N 1 2 310.191 3.469 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccoc2)C2CC2)c1O ZINC000934004462 661672849 /nfs/dbraw/zinc/67/28/49/661672849.db2.gz LWQOWDXLUYCUSN-UHFFFAOYSA-N 1 2 303.333 3.492 20 10 DGCDLO CC1(C)C[C@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000160515818 685100000 /nfs/dbraw/zinc/10/00/00/685100000.db2.gz AMNLFGXXRQLOJI-LLVKDONJSA-N 1 2 314.223 3.202 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000227336037 685117936 /nfs/dbraw/zinc/11/79/36/685117936.db2.gz DCGRPERKKMJYLU-LBPRGKRZSA-N 1 2 314.223 3.204 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC001659756346 1196411228 /nfs/dbraw/zinc/41/12/28/1196411228.db2.gz PFGLMZYTJMYIGY-IUODEOHRSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC001659756346 1196411229 /nfs/dbraw/zinc/41/12/29/1196411229.db2.gz PFGLMZYTJMYIGY-IUODEOHRSA-N 1 2 316.367 3.213 20 10 DGCDLO CCN1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001661412088 1196603403 /nfs/dbraw/zinc/60/34/03/1196603403.db2.gz YHQYRQYYUCIXJF-CYBMUJFWSA-N 1 2 300.805 3.149 20 10 DGCDLO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001592259267 1192606794 /nfs/dbraw/zinc/60/67/94/1192606794.db2.gz KPOBGAYPDFFRNW-CHWSQXEVSA-N 1 2 323.400 3.293 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCO[C@](C)(C(F)F)C2)c(Cl)c1 ZINC001334057730 1178714246 /nfs/dbraw/zinc/71/42/46/1178714246.db2.gz LIDGSPNKDMXVFJ-AWEZNQCLSA-N 1 2 305.752 3.210 20 10 DGCDLO Cc1nnc([C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)s1 ZINC001461424334 1182810564 /nfs/dbraw/zinc/81/05/64/1182810564.db2.gz OGLFFGCRJWKTCD-LURJTMIESA-N 1 2 301.774 3.195 20 10 DGCDLO CCN(CC)c1ccc(CNc2cc(CO)cc[nH+]2)cc1F ZINC001461594909 1182833558 /nfs/dbraw/zinc/83/35/58/1182833558.db2.gz OJLLFINUKYLXPM-UHFFFAOYSA-N 1 2 303.381 3.171 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)Nc1ccccc1 ZINC001473996810 1183847296 /nfs/dbraw/zinc/84/72/96/1183847296.db2.gz ZSVASHBBVPKIFE-SNVBAGLBSA-N 1 2 322.767 3.302 20 10 DGCDLO COc1cc[nH+]cc1NCc1cc(C)cc(Br)c1O ZINC001560407924 1189324701 /nfs/dbraw/zinc/32/47/01/1189324701.db2.gz NIEIMJRUSLHNCR-UHFFFAOYSA-N 1 2 323.190 3.479 20 10 DGCDLO OC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccc(Cl)cc1 ZINC001560954486 1189410398 /nfs/dbraw/zinc/41/03/98/1189410398.db2.gz RIHMJEXZIWJCHQ-ZDUSSCGKSA-N 1 2 313.731 3.147 20 10 DGCDLO COc1ccc([N@H+](CC[C@@H]2COC(C)(C)O2)CC2CC2)cc1 ZINC001618018348 1193721292 /nfs/dbraw/zinc/72/12/92/1193721292.db2.gz KLAGHKLXMXBHBL-QGZVFWFLSA-N 1 2 305.418 3.453 20 10 DGCDLO COc1ccc([N@@H+](CC[C@@H]2COC(C)(C)O2)CC2CC2)cc1 ZINC001618018348 1193721294 /nfs/dbraw/zinc/72/12/94/1193721294.db2.gz KLAGHKLXMXBHBL-QGZVFWFLSA-N 1 2 305.418 3.453 20 10 DGCDLO C[C@@H](N1CC[NH+](Cc2ccc(Cl)cc2O)CC1)C(F)(F)F ZINC001621132545 1193807110 /nfs/dbraw/zinc/80/71/10/1193807110.db2.gz YRANUOXIBVVRQQ-SNVBAGLBSA-N 1 2 322.758 3.114 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC001621396547 1193837214 /nfs/dbraw/zinc/83/72/14/1193837214.db2.gz MSGZBXLVQLCBBC-CABCVRRESA-N 1 2 320.477 3.312 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]C1CC(Nc2ccccc2)C1 ZINC001651517552 1195475225 /nfs/dbraw/zinc/47/52/25/1195475225.db2.gz GGGHIZTXVCBWLF-UHFFFAOYSA-N 1 2 304.340 3.403 20 10 DGCDLO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001651844513 1195515819 /nfs/dbraw/zinc/51/58/19/1195515819.db2.gz AAVBKALCXGBTCK-HNNXBMFYSA-N 1 2 321.367 3.444 20 10 DGCDLO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001651844513 1195515821 /nfs/dbraw/zinc/51/58/21/1195515821.db2.gz AAVBKALCXGBTCK-HNNXBMFYSA-N 1 2 321.367 3.444 20 10 DGCDLO CSCCC[N@H+](C)Cc1cc(Br)cc(F)c1O ZINC001652281910 1195575254 /nfs/dbraw/zinc/57/52/54/1195575254.db2.gz HBWDUBOPTBIQEA-UHFFFAOYSA-N 1 2 322.243 3.479 20 10 DGCDLO CSCCC[N@@H+](C)Cc1cc(Br)cc(F)c1O ZINC001652281910 1195575259 /nfs/dbraw/zinc/57/52/59/1195575259.db2.gz HBWDUBOPTBIQEA-UHFFFAOYSA-N 1 2 322.243 3.479 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC001655283043 1195899615 /nfs/dbraw/zinc/89/96/15/1195899615.db2.gz XCQWXLXMOYUGSH-UHFFFAOYSA-N 1 2 315.323 3.146 20 10 DGCDLO Fc1cc2c(c(F)c1)[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CO2 ZINC001656073778 1195994574 /nfs/dbraw/zinc/99/45/74/1195994574.db2.gz KYTPBKZBLVURIM-AWEZNQCLSA-N 1 2 303.308 3.123 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1C=CCCC1 ZINC001657465536 1196144579 /nfs/dbraw/zinc/14/45/79/1196144579.db2.gz HSLDVKOPJSNAQH-LLVKDONJSA-N 1 2 300.171 3.492 20 10 DGCDLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(F)c2O)C12CCC2 ZINC001658434744 1196256728 /nfs/dbraw/zinc/25/67/28/1196256728.db2.gz OBJFKXKPLGMNOB-HUUCEWRRSA-N 1 2 311.372 3.450 20 10 DGCDLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc(F)c2O)C12CCC2 ZINC001658434744 1196256737 /nfs/dbraw/zinc/25/67/37/1196256737.db2.gz OBJFKXKPLGMNOB-HUUCEWRRSA-N 1 2 311.372 3.450 20 10 DGCDLO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001658831239 1196307367 /nfs/dbraw/zinc/30/73/67/1196307367.db2.gz VORIGRGHVXZXKA-NSHDSACASA-N 1 2 305.324 3.454 20 10 DGCDLO C[C@H]1COc2ccccc2C[N@H+]1Cc1cc(F)c(F)cc1O ZINC001658831239 1196307371 /nfs/dbraw/zinc/30/73/71/1196307371.db2.gz VORIGRGHVXZXKA-NSHDSACASA-N 1 2 305.324 3.454 20 10 DGCDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001658899747 1196316602 /nfs/dbraw/zinc/31/66/02/1196316602.db2.gz YIUFBCZSDYMFPW-FZMUQLTDSA-N 1 2 316.445 3.182 20 10 DGCDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001658899747 1196316605 /nfs/dbraw/zinc/31/66/05/1196316605.db2.gz YIUFBCZSDYMFPW-FZMUQLTDSA-N 1 2 316.445 3.182 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@H+](C)Cc2ncnn2CC(F)F)c1 ZINC001658996593 1196330003 /nfs/dbraw/zinc/33/00/03/1196330003.db2.gz MXMWBRROFWUDKP-UHFFFAOYSA-N 1 2 324.375 3.004 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@@H+](C)Cc2ncnn2CC(F)F)c1 ZINC001658996593 1196330012 /nfs/dbraw/zinc/33/00/12/1196330012.db2.gz MXMWBRROFWUDKP-UHFFFAOYSA-N 1 2 324.375 3.004 20 10 DGCDLO CC[N@H+](CCSC)Cc1cc(Br)cc(F)c1O ZINC001660199765 1196456401 /nfs/dbraw/zinc/45/64/01/1196456401.db2.gz QQNMOSULSWKDLV-UHFFFAOYSA-N 1 2 322.243 3.479 20 10 DGCDLO CC[N@@H+](CCSC)Cc1cc(Br)cc(F)c1O ZINC001660199765 1196456403 /nfs/dbraw/zinc/45/64/03/1196456403.db2.gz QQNMOSULSWKDLV-UHFFFAOYSA-N 1 2 322.243 3.479 20 10 DGCDLO CCCc1cc(NCc2ccc(O)c(O)c2)nc(CCC)[nH+]1 ZINC001169990651 1081791906 /nfs/dbraw/zinc/79/19/06/1081791906.db2.gz KVBVYYONBVUBLS-UHFFFAOYSA-N 1 2 301.390 3.405 20 10 DGCDLO C[N@@H+]1C[C@H]2CCCN(Cc3cc(Cl)cc(Cl)c3O)[C@H]2C1 ZINC001203579710 1084071691 /nfs/dbraw/zinc/07/16/91/1084071691.db2.gz CBBHWVPWDBSEHH-YGRLFVJLSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@H+]1C[C@H]2CCCN(Cc3cc(Cl)cc(Cl)c3O)[C@H]2C1 ZINC001203579710 1084071695 /nfs/dbraw/zinc/07/16/95/1084071695.db2.gz CBBHWVPWDBSEHH-YGRLFVJLSA-N 1 2 315.244 3.225 20 10 DGCDLO COc1ccc2c(c1)CCCC[N@H+]2CC[C@H]1COC(C)(C)O1 ZINC001168245073 1087071040 /nfs/dbraw/zinc/07/10/40/1087071040.db2.gz XWIPGXWJMIGVRA-INIZCTEOSA-N 1 2 305.418 3.380 20 10 DGCDLO COc1ccc2c(c1)CCCC[N@@H+]2CC[C@H]1COC(C)(C)O1 ZINC001168245073 1087071043 /nfs/dbraw/zinc/07/10/43/1087071043.db2.gz XWIPGXWJMIGVRA-INIZCTEOSA-N 1 2 305.418 3.380 20 10 DGCDLO CCN(Cc1ccccc1O)c1nc(NC(C)C)c(C)c[nH+]1 ZINC001154881015 1088807655 /nfs/dbraw/zinc/80/76/55/1088807655.db2.gz DXDHFJGUOGANHZ-UHFFFAOYSA-N 1 2 300.406 3.337 20 10 DGCDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cc(Cl)c(Cl)cc1O ZINC001236799257 1089902649 /nfs/dbraw/zinc/90/26/49/1089902649.db2.gz MZHDHABHRRHLAS-ZDUSSCGKSA-N 1 2 320.216 3.328 20 10 DGCDLO COc1cc2ccc(NCc3ccc(N)cc3)[nH+]c2cc1OC ZINC001162786483 1089956855 /nfs/dbraw/zinc/95/68/55/1089956855.db2.gz XWQBBJLBZHBRHN-UHFFFAOYSA-N 1 2 309.369 3.446 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC([NH+]2CCC2)CC1 ZINC001203586095 1090762329 /nfs/dbraw/zinc/76/23/29/1090762329.db2.gz KPQWPRYUNSLMNK-UHFFFAOYSA-N 1 2 315.244 3.369 20 10 DGCDLO CN(C)c1cc(F)c(C[NH2+]Cc2noc3ccccc23)cc1F ZINC001203652469 1090773569 /nfs/dbraw/zinc/77/35/69/1090773569.db2.gz WLBUPHAJVNDVIS-UHFFFAOYSA-N 1 2 317.339 3.462 20 10 DGCDLO Oc1ccc(C[N@@H+]2Cc3cnc(-c4ccccc4)nc3C2)c(O)c1 ZINC001204280347 1090939008 /nfs/dbraw/zinc/93/90/08/1090939008.db2.gz JTJNCQRZFSDOPP-UHFFFAOYSA-N 1 2 319.364 3.071 20 10 DGCDLO Oc1ccc(C[N@H+]2Cc3cnc(-c4ccccc4)nc3C2)c(O)c1 ZINC001204280347 1090939013 /nfs/dbraw/zinc/93/90/13/1090939013.db2.gz JTJNCQRZFSDOPP-UHFFFAOYSA-N 1 2 319.364 3.071 20 10 DGCDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2O)cc1 ZINC001204618311 1091007866 /nfs/dbraw/zinc/00/78/66/1091007866.db2.gz QYQUWFSVFYZXFZ-UHFFFAOYSA-N 1 2 320.339 3.049 20 10 DGCDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cc(F)cc(F)c2O)cc1 ZINC001204618311 1091007870 /nfs/dbraw/zinc/00/78/70/1091007870.db2.gz QYQUWFSVFYZXFZ-UHFFFAOYSA-N 1 2 320.339 3.049 20 10 DGCDLO C[N@@H+]1CCN(Cc2c(O)cccc2F)[C@@H](c2ccccc2)C1 ZINC001137831949 1091093457 /nfs/dbraw/zinc/09/34/57/1091093457.db2.gz UHADBIWXCDRJBP-QGZVFWFLSA-N 1 2 300.377 3.020 20 10 DGCDLO C[N@H+]1CCN(Cc2c(O)cccc2F)[C@@H](c2ccccc2)C1 ZINC001137831949 1091093462 /nfs/dbraw/zinc/09/34/62/1091093462.db2.gz UHADBIWXCDRJBP-QGZVFWFLSA-N 1 2 300.377 3.020 20 10 DGCDLO CN1CC[N@H+](Cc2c(O)cccc2F)[C@@H](c2ccccc2)C1 ZINC001137831949 1091093466 /nfs/dbraw/zinc/09/34/66/1091093466.db2.gz UHADBIWXCDRJBP-QGZVFWFLSA-N 1 2 300.377 3.020 20 10 DGCDLO CN1CC[N@@H+](Cc2c(O)cccc2F)[C@@H](c2ccccc2)C1 ZINC001137831949 1091093471 /nfs/dbraw/zinc/09/34/71/1091093471.db2.gz UHADBIWXCDRJBP-QGZVFWFLSA-N 1 2 300.377 3.020 20 10 DGCDLO Cc1c(C[N@@H+]2CCOC[C@H]2c2cccnc2)c2ccccc2n1C ZINC001138259095 1091127411 /nfs/dbraw/zinc/12/74/11/1091127411.db2.gz AVCFXZSWFFCTSZ-FQEVSTJZSA-N 1 2 321.424 3.455 20 10 DGCDLO Cc1c(C[N@H+]2CCOC[C@H]2c2cccnc2)c2ccccc2n1C ZINC001138259095 1091127419 /nfs/dbraw/zinc/12/74/19/1091127419.db2.gz AVCFXZSWFFCTSZ-FQEVSTJZSA-N 1 2 321.424 3.455 20 10 DGCDLO CC1([NH+]2CCCC2)CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139686599 1091642803 /nfs/dbraw/zinc/64/28/03/1091642803.db2.gz CFZJXWKUBDUXPE-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO CC1([NH+]2CCCC2)CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139686599 1091642809 /nfs/dbraw/zinc/64/28/09/1091642809.db2.gz CFZJXWKUBDUXPE-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO CCOCc1noc2c1C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140466015 1091878803 /nfs/dbraw/zinc/87/88/03/1091878803.db2.gz YQSIDCQKXSKEDU-UHFFFAOYSA-N 1 2 322.792 3.128 20 10 DGCDLO CCOCc1noc2c1C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140466015 1091878808 /nfs/dbraw/zinc/87/88/08/1091878808.db2.gz YQSIDCQKXSKEDU-UHFFFAOYSA-N 1 2 322.792 3.128 20 10 DGCDLO Cc1ccc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001140624083 1091936777 /nfs/dbraw/zinc/93/67/77/1091936777.db2.gz FNKGROWWBVADOQ-MRXNPFEDSA-N 1 2 310.388 3.006 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001142524974 1092494997 /nfs/dbraw/zinc/49/49/97/1092494997.db2.gz RMEMAAMKVFUJAH-HNNXBMFYSA-N 1 2 319.351 3.462 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001142524974 1092495008 /nfs/dbraw/zinc/49/50/08/1092495008.db2.gz RMEMAAMKVFUJAH-HNNXBMFYSA-N 1 2 319.351 3.462 20 10 DGCDLO CC[N@H+](CC(=O)OC)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209520170 1092808033 /nfs/dbraw/zinc/80/80/33/1092808033.db2.gz PNVVMLZQAUVFSC-UHFFFAOYSA-N 1 2 300.402 3.089 20 10 DGCDLO CC[N@@H+](CC(=O)OC)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209520170 1092808036 /nfs/dbraw/zinc/80/80/36/1092808036.db2.gz PNVVMLZQAUVFSC-UHFFFAOYSA-N 1 2 300.402 3.089 20 10 DGCDLO [NH3+]C[C@@H]1CCCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001206639005 1092868477 /nfs/dbraw/zinc/86/84/77/1092868477.db2.gz AJMYIKDGMBUKSV-JTQLQIEISA-N 1 2 303.233 3.260 20 10 DGCDLO [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001206639005 1092868488 /nfs/dbraw/zinc/86/84/88/1092868488.db2.gz AJMYIKDGMBUKSV-JTQLQIEISA-N 1 2 303.233 3.260 20 10 DGCDLO [NH3+]C[C@@H]1CCCCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001206639005 1092868497 /nfs/dbraw/zinc/86/84/97/1092868497.db2.gz AJMYIKDGMBUKSV-JTQLQIEISA-N 1 2 303.233 3.260 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC001336871879 1094768089 /nfs/dbraw/zinc/76/80/89/1094768089.db2.gz DDEHFUSZJNNQRE-XHDPSFHLSA-N 1 2 311.784 3.234 20 10 DGCDLO C[C@@]1(CF)CC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144298369 1095591725 /nfs/dbraw/zinc/59/17/25/1095591725.db2.gz CJVFSKBONBBWLU-ZDUSSCGKSA-N 1 2 320.177 3.475 20 10 DGCDLO C[C@@]1(CF)CC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144298369 1095591736 /nfs/dbraw/zinc/59/17/36/1095591736.db2.gz CJVFSKBONBBWLU-ZDUSSCGKSA-N 1 2 320.177 3.475 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001144308237 1095602354 /nfs/dbraw/zinc/60/23/54/1095602354.db2.gz UHQJUAJINHDNTO-PELKAZGASA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001144308237 1095602359 /nfs/dbraw/zinc/60/23/59/1095602359.db2.gz UHQJUAJINHDNTO-PELKAZGASA-N 1 2 300.171 3.278 20 10 DGCDLO CC[N@H+](CC(=O)OC)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137859245 1095769216 /nfs/dbraw/zinc/76/92/16/1095769216.db2.gz PQIYESDGONPIAR-UHFFFAOYSA-N 1 2 300.402 3.089 20 10 DGCDLO CC[N@@H+](CC(=O)OC)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137859245 1095769225 /nfs/dbraw/zinc/76/92/25/1095769225.db2.gz PQIYESDGONPIAR-UHFFFAOYSA-N 1 2 300.402 3.089 20 10 DGCDLO COc1ccc(Br)c(C[N@@H+]2CCC[C@H](F)C2)c1O ZINC001231553018 1097778871 /nfs/dbraw/zinc/77/88/71/1097778871.db2.gz OWHNKZAUUYSLSP-VIFPVBQESA-N 1 2 318.186 3.097 20 10 DGCDLO COc1ccc(Br)c(C[N@H+]2CCC[C@H](F)C2)c1O ZINC001231553018 1097778876 /nfs/dbraw/zinc/77/88/76/1097778876.db2.gz OWHNKZAUUYSLSP-VIFPVBQESA-N 1 2 318.186 3.097 20 10 DGCDLO Cc1cc(C)c(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c(O)c1 ZINC001231847740 1097862659 /nfs/dbraw/zinc/86/26/59/1097862659.db2.gz CMWQAZIJLLQOHT-QGZVFWFLSA-N 1 2 324.415 3.314 20 10 DGCDLO COC(=O)CC[N@H+](Cc1cccc(Cl)c1O)C1CCCC1 ZINC001231911401 1097889855 /nfs/dbraw/zinc/88/98/55/1097889855.db2.gz DICIIZDJZPCSTK-UHFFFAOYSA-N 1 2 311.809 3.353 20 10 DGCDLO COC(=O)CC[N@@H+](Cc1cccc(Cl)c1O)C1CCCC1 ZINC001231911401 1097889862 /nfs/dbraw/zinc/88/98/62/1097889862.db2.gz DICIIZDJZPCSTK-UHFFFAOYSA-N 1 2 311.809 3.353 20 10 DGCDLO Oc1c(Cl)cccc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC001231911615 1097891111 /nfs/dbraw/zinc/89/11/11/1097891111.db2.gz ITDYJGWDDTWHTQ-UHFFFAOYSA-N 1 2 318.804 3.484 20 10 DGCDLO CCC(=O)N(CC)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231913808 1097892558 /nfs/dbraw/zinc/89/25/58/1097892558.db2.gz RRWMIUUMIVPTFD-UHFFFAOYSA-N 1 2 324.852 3.269 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H](F)C(F)(F)C2)c(O)c1 ZINC001232833497 1098147727 /nfs/dbraw/zinc/14/77/27/1098147727.db2.gz AFEHQOZICNWLHB-AWEZNQCLSA-N 1 2 302.340 3.027 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCC[C@H](F)C(F)(F)C2)c(O)c1 ZINC001232833497 1098147730 /nfs/dbraw/zinc/14/77/30/1098147730.db2.gz AFEHQOZICNWLHB-AWEZNQCLSA-N 1 2 302.340 3.027 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@@H]2COCc2ccccc2)ccc(F)c1F ZINC001233077426 1098221207 /nfs/dbraw/zinc/22/12/07/1098221207.db2.gz NFQMQHHYACELAJ-OAHLLOKOSA-N 1 2 319.351 3.462 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@@H]2COCc2ccccc2)ccc(F)c1F ZINC001233077426 1098221212 /nfs/dbraw/zinc/22/12/12/1098221212.db2.gz NFQMQHHYACELAJ-OAHLLOKOSA-N 1 2 319.351 3.462 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)c1O ZINC001233287788 1098278527 /nfs/dbraw/zinc/27/85/27/1098278527.db2.gz HLSZVBHVRYCVNM-TZMCWYRMSA-N 1 2 305.752 3.326 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)c1O ZINC001233287788 1098278532 /nfs/dbraw/zinc/27/85/32/1098278532.db2.gz HLSZVBHVRYCVNM-TZMCWYRMSA-N 1 2 305.752 3.326 20 10 DGCDLO COc1ccc(N2CC[NH+](Cc3ccc(Cl)o3)CC2)cc1 ZINC001233313601 1098284371 /nfs/dbraw/zinc/28/43/71/1098284371.db2.gz DAYRJPMNOFVVJO-UHFFFAOYSA-N 1 2 306.793 3.264 20 10 DGCDLO Cc1ccc(N2CC[NH+](Cc3c(O)ccc(F)c3F)CC2)cc1 ZINC001233331599 1098292402 /nfs/dbraw/zinc/29/24/02/1098292402.db2.gz CSTBCLSSVYOTPU-UHFFFAOYSA-N 1 2 318.367 3.301 20 10 DGCDLO Cc1ccccc1N1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233331982 1098292491 /nfs/dbraw/zinc/29/24/91/1098292491.db2.gz SKHTXBKNZACIGP-UHFFFAOYSA-N 1 2 318.367 3.301 20 10 DGCDLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233419410 1098324645 /nfs/dbraw/zinc/32/46/45/1098324645.db2.gz WXCCSPYLGNOPSY-FZMZJTMJSA-N 1 2 301.308 3.164 20 10 DGCDLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001233419410 1098324651 /nfs/dbraw/zinc/32/46/51/1098324651.db2.gz WXCCSPYLGNOPSY-FZMZJTMJSA-N 1 2 301.308 3.164 20 10 DGCDLO Oc1c(C[N@@H+]2CCOC[C@@H]2C2CC2)cccc1C(F)(F)F ZINC001233419483 1098326396 /nfs/dbraw/zinc/32/63/96/1098326396.db2.gz ZMOIEQLJDVEFQB-CYBMUJFWSA-N 1 2 301.308 3.022 20 10 DGCDLO Oc1c(C[N@H+]2CCOC[C@@H]2C2CC2)cccc1C(F)(F)F ZINC001233419483 1098326403 /nfs/dbraw/zinc/32/64/03/1098326403.db2.gz ZMOIEQLJDVEFQB-CYBMUJFWSA-N 1 2 301.308 3.022 20 10 DGCDLO CC(C)C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N(C)C ZINC001177200339 1098488304 /nfs/dbraw/zinc/48/83/04/1098488304.db2.gz WHPGWGXTOWWTGN-CYBMUJFWSA-N 1 2 302.821 3.251 20 10 DGCDLO Oc1c(C[N@@H+]2Cc3cncnc3C2)cccc1-c1ccccc1 ZINC001234989296 1098737399 /nfs/dbraw/zinc/73/73/99/1098737399.db2.gz CHZPKIKDOKZMOF-UHFFFAOYSA-N 1 2 303.365 3.365 20 10 DGCDLO Oc1c(C[N@H+]2Cc3cncnc3C2)cccc1-c1ccccc1 ZINC001234989296 1098737407 /nfs/dbraw/zinc/73/74/07/1098737407.db2.gz CHZPKIKDOKZMOF-UHFFFAOYSA-N 1 2 303.365 3.365 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001235067550 1098781997 /nfs/dbraw/zinc/78/19/97/1098781997.db2.gz WBIVEAWXBQVEBT-SWPVVBRQSA-N 1 2 318.161 3.226 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001235067550 1098782000 /nfs/dbraw/zinc/78/20/00/1098782000.db2.gz WBIVEAWXBQVEBT-SWPVVBRQSA-N 1 2 318.161 3.226 20 10 DGCDLO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC001178393883 1098803957 /nfs/dbraw/zinc/80/39/57/1098803957.db2.gz YBAFLVUBCZLBBZ-UHFFFAOYSA-N 1 2 324.739 3.425 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001235305571 1098952485 /nfs/dbraw/zinc/95/24/85/1098952485.db2.gz NZMDUOZWYDREBH-PELKAZGASA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001235305571 1098952495 /nfs/dbraw/zinc/95/24/95/1098952495.db2.gz NZMDUOZWYDREBH-PELKAZGASA-N 1 2 300.171 3.278 20 10 DGCDLO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001179747597 1099197962 /nfs/dbraw/zinc/19/79/62/1099197962.db2.gz MPTXXBFOOOZTFJ-ZDUSSCGKSA-N 1 2 302.821 3.251 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)n1 ZINC001236647638 1099719516 /nfs/dbraw/zinc/71/95/16/1099719516.db2.gz OQQPGRAPBUEQQV-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)n1 ZINC001236647638 1099719524 /nfs/dbraw/zinc/71/95/24/1099719524.db2.gz OQQPGRAPBUEQQV-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO COc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)c(O)c1Cl ZINC001236804352 1099797888 /nfs/dbraw/zinc/79/78/88/1099797888.db2.gz YHIPFMBIJGPGMB-UHFFFAOYSA-N 1 2 303.736 3.285 20 10 DGCDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)c(O)c1Cl ZINC001236805594 1099800608 /nfs/dbraw/zinc/80/06/08/1099800608.db2.gz AOXLHKZCLMJVPP-CYBMUJFWSA-N 1 2 319.792 3.181 20 10 DGCDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)c(O)c1Cl ZINC001236805594 1099800619 /nfs/dbraw/zinc/80/06/19/1099800619.db2.gz AOXLHKZCLMJVPP-CYBMUJFWSA-N 1 2 319.792 3.181 20 10 DGCDLO COc1ccc(C[N@@H+]2CCC3(C2)CCOCC3)c(O)c1Cl ZINC001236812071 1099801850 /nfs/dbraw/zinc/80/18/50/1099801850.db2.gz QYUGHXDPRBPAMB-UHFFFAOYSA-N 1 2 311.809 3.057 20 10 DGCDLO COc1ccc(C[N@H+]2CCC3(C2)CCOCC3)c(O)c1Cl ZINC001236812071 1099801861 /nfs/dbraw/zinc/80/18/61/1099801861.db2.gz QYUGHXDPRBPAMB-UHFFFAOYSA-N 1 2 311.809 3.057 20 10 DGCDLO CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)c(O)c1 ZINC001237050073 1099943720 /nfs/dbraw/zinc/94/37/20/1099943720.db2.gz XFDFUXVXFNYDCV-YDHLFZDLSA-N 1 2 315.335 3.420 20 10 DGCDLO CC(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)c(O)c1 ZINC001237050073 1099943726 /nfs/dbraw/zinc/94/37/26/1099943726.db2.gz XFDFUXVXFNYDCV-YDHLFZDLSA-N 1 2 315.335 3.420 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCc2ccncc2C1 ZINC001237141013 1099994066 /nfs/dbraw/zinc/99/40/66/1099994066.db2.gz RLEIYMOWUOUEJG-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@H+]1CCc2ccncc2C1 ZINC001237141013 1099994074 /nfs/dbraw/zinc/99/40/74/1099994074.db2.gz RLEIYMOWUOUEJG-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO CO[C@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001196887129 1101414828 /nfs/dbraw/zinc/41/48/28/1101414828.db2.gz FWACKQCCARECAJ-HZMBPMFUSA-N 1 2 311.809 3.248 20 10 DGCDLO CO[C@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001196887129 1101414837 /nfs/dbraw/zinc/41/48/37/1101414837.db2.gz FWACKQCCARECAJ-HZMBPMFUSA-N 1 2 311.809 3.248 20 10 DGCDLO CC[C@]1(C)COCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000687976988 1103181711 /nfs/dbraw/zinc/18/17/11/1103181711.db2.gz WMRXMMDVTMCLJA-CQSZACIVSA-N 1 2 314.223 3.156 20 10 DGCDLO CC[C@]1(C)COCC[N@H+]1Cc1cc(Br)ccc1O ZINC000687976988 1103181714 /nfs/dbraw/zinc/18/17/14/1103181714.db2.gz WMRXMMDVTMCLJA-CQSZACIVSA-N 1 2 314.223 3.156 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cnccc1Cl)CCC2 ZINC001137239401 1104195039 /nfs/dbraw/zinc/19/50/39/1104195039.db2.gz UGILAJPRAOMKAJ-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cnccc1Cl)CCC2 ZINC001137239401 1104195043 /nfs/dbraw/zinc/19/50/43/1104195043.db2.gz UGILAJPRAOMKAJ-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1c(F)ccc(F)c1CN1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001275362247 1104737293 /nfs/dbraw/zinc/73/72/93/1104737293.db2.gz JYNMCIHQTLTMKQ-YVEFUNNKSA-N 1 2 322.399 3.119 20 10 DGCDLO Oc1c(F)ccc(F)c1CN1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001275362247 1104737299 /nfs/dbraw/zinc/73/72/99/1104737299.db2.gz JYNMCIHQTLTMKQ-YVEFUNNKSA-N 1 2 322.399 3.119 20 10 DGCDLO Cc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)cc1Br ZINC001250116611 1105445024 /nfs/dbraw/zinc/44/50/24/1105445024.db2.gz DOYBTSBPVVTUEP-GHMZBOCLSA-N 1 2 314.223 3.072 20 10 DGCDLO Oc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cc(F)cc(F)c1O)C2 ZINC001262111702 1107623004 /nfs/dbraw/zinc/62/30/04/1107623004.db2.gz NIJWKPQQFVUEOQ-UHFFFAOYSA-N 1 2 317.335 3.423 20 10 DGCDLO Oc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cc(F)cc(F)c1O)C2 ZINC001262111702 1107623010 /nfs/dbraw/zinc/62/30/10/1107623010.db2.gz NIJWKPQQFVUEOQ-UHFFFAOYSA-N 1 2 317.335 3.423 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC001325357008 1108630713 /nfs/dbraw/zinc/63/07/13/1108630713.db2.gz NGSWMWPVZHEFOO-VHSXEESVSA-N 1 2 315.360 3.441 20 10 DGCDLO CC(C)(C)c1cc(C[NH2+]Cc2nnc[nH]2)c(O)c(C(C)(C)C)c1 ZINC001308558897 1111443632 /nfs/dbraw/zinc/44/36/32/1111443632.db2.gz RFSLGVFMDDKZLV-UHFFFAOYSA-N 1 2 316.449 3.395 20 10 DGCDLO COC(=O)/C=C\c1ccc(C[NH2+]Cc2cccc(Cl)c2O)o1 ZINC001308974759 1111503215 /nfs/dbraw/zinc/50/32/15/1111503215.db2.gz KQBHAPZSSDWWRD-FPLPWBNLSA-N 1 2 321.760 3.115 20 10 DGCDLO CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1 ZINC000076901873 185052823 /nfs/dbraw/zinc/05/28/23/185052823.db2.gz YGYRDBYIXCRIDH-UHFFFAOYSA-N 1 2 304.321 3.464 20 10 DGCDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cccc(Cl)c1O ZINC000180640963 529994097 /nfs/dbraw/zinc/99/40/97/529994097.db2.gz BRSMTQTYQLGGPA-AWEZNQCLSA-N 1 2 305.809 3.289 20 10 DGCDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180640963 529994099 /nfs/dbraw/zinc/99/40/99/529994099.db2.gz BRSMTQTYQLGGPA-AWEZNQCLSA-N 1 2 305.809 3.289 20 10 DGCDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000072517866 191186647 /nfs/dbraw/zinc/18/66/47/191186647.db2.gz RBXMYLYVELLWSN-ZDUSSCGKSA-N 1 2 319.405 3.141 20 10 DGCDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000072517866 191186649 /nfs/dbraw/zinc/18/66/49/191186649.db2.gz RBXMYLYVELLWSN-ZDUSSCGKSA-N 1 2 319.405 3.141 20 10 DGCDLO CCCNC(=O)C[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1O ZINC000286795423 283371630 /nfs/dbraw/zinc/37/16/30/283371630.db2.gz AAYYNMZSVDRBKP-GFCCVEGCSA-N 1 2 319.232 3.266 20 10 DGCDLO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187720107 299312109 /nfs/dbraw/zinc/31/21/09/299312109.db2.gz YMWMBMGAXJWPAZ-APPDUMDISA-N 1 2 307.340 3.229 20 10 DGCDLO C[C@H]([NH2+]Cc1nccn1C)c1cc(Cl)c(Cl)cc1O ZINC000278629042 299324604 /nfs/dbraw/zinc/32/46/04/299324604.db2.gz GRRKBXGQPRLKIN-QMMMGPOBSA-N 1 2 300.189 3.283 20 10 DGCDLO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)c(F)c1O ZINC000191207309 296114512 /nfs/dbraw/zinc/11/45/12/296114512.db2.gz KTSFJNNZVJLPOC-SNVBAGLBSA-N 1 2 313.344 3.007 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(F)c(F)c1O ZINC000187752761 296129789 /nfs/dbraw/zinc/12/97/89/296129789.db2.gz XCRRPUDTBBABCZ-RKDXNWHRSA-N 1 2 305.415 3.170 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(F)c(F)c1O ZINC000276972987 296133704 /nfs/dbraw/zinc/13/37/04/296133704.db2.gz ULSZQIZZWAPDOX-MNOVXSKESA-N 1 2 313.344 3.007 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccncc2)C2CC2)c1O ZINC000093221347 193218632 /nfs/dbraw/zinc/21/86/32/193218632.db2.gz LMMNVZXBSPNYEK-UHFFFAOYSA-N 1 2 314.360 3.294 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccncc2)C2CC2)c1O ZINC000093221347 193218633 /nfs/dbraw/zinc/21/86/33/193218633.db2.gz LMMNVZXBSPNYEK-UHFFFAOYSA-N 1 2 314.360 3.294 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)c1ncnn1C ZINC000276634590 296150323 /nfs/dbraw/zinc/15/03/23/296150323.db2.gz OBZRRQHXPMKTBH-JGVFFNPUSA-N 1 2 315.204 3.239 20 10 DGCDLO COCC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000273409197 285172404 /nfs/dbraw/zinc/17/24/04/285172404.db2.gz HMLVJEMAQVGPDV-FZMZJTMJSA-N 1 2 320.345 3.322 20 10 DGCDLO Cc1ccc(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c(O)c1O ZINC000179439108 533611704 /nfs/dbraw/zinc/61/17/04/533611704.db2.gz LIJJHRKLNCQOHA-UHFFFAOYSA-N 1 2 323.352 3.059 20 10 DGCDLO COC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1 ZINC000273610916 130144080 /nfs/dbraw/zinc/14/40/80/130144080.db2.gz VTVFBHRIDKKGAY-SMDDNHRTSA-N 1 2 320.345 3.240 20 10 DGCDLO CC[C@H]([NH2+]CCN(C)CCCOC)c1cccc(Cl)c1O ZINC000287841281 131302593 /nfs/dbraw/zinc/30/25/93/131302593.db2.gz WFVRVNOWZABFCJ-HNNXBMFYSA-N 1 2 314.857 3.055 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cccc(Cl)c1O ZINC000287847334 131302672 /nfs/dbraw/zinc/30/26/72/131302672.db2.gz WOVZGFHVUPUFOE-FZMZJTMJSA-N 1 2 310.825 3.097 20 10 DGCDLO CC[N@H+](Cc1ncc(Cl)n1C)Cc1ccc(N(C)C)cc1 ZINC000053134329 400766675 /nfs/dbraw/zinc/76/66/75/400766675.db2.gz WBTDRFZIILHWDW-UHFFFAOYSA-N 1 2 306.841 3.162 20 10 DGCDLO CC[N@@H+](Cc1ncc(Cl)n1C)Cc1ccc(N(C)C)cc1 ZINC000053134329 400766678 /nfs/dbraw/zinc/76/66/78/400766678.db2.gz WBTDRFZIILHWDW-UHFFFAOYSA-N 1 2 306.841 3.162 20 10 DGCDLO COc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)ccc1C ZINC000273364234 286221899 /nfs/dbraw/zinc/22/18/99/286221899.db2.gz AZZPDFLFYSWRLD-LBPRGKRZSA-N 1 2 316.357 3.468 20 10 DGCDLO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1cccc(Cl)c1O ZINC000287102648 286910786 /nfs/dbraw/zinc/91/07/86/286910786.db2.gz QDNWWZOOCFJJKL-XJKSGUPXSA-N 1 2 324.852 3.345 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]CCOCC(F)F ZINC000190892570 432198968 /nfs/dbraw/zinc/19/89/68/432198968.db2.gz GWELRTUZMUTMOO-UHFFFAOYSA-N 1 2 300.132 3.070 20 10 DGCDLO Cc1nc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)oc1C ZINC000109761771 431180652 /nfs/dbraw/zinc/18/06/52/431180652.db2.gz BGZSZSIJJJSJEF-MRXNPFEDSA-N 1 2 316.401 3.178 20 10 DGCDLO Cc1nc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)oc1C ZINC000109761771 431180660 /nfs/dbraw/zinc/18/06/60/431180660.db2.gz BGZSZSIJJJSJEF-MRXNPFEDSA-N 1 2 316.401 3.178 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000093820373 431917430 /nfs/dbraw/zinc/91/74/30/431917430.db2.gz QVRLNLPNSGWLDN-AWEZNQCLSA-N 1 2 302.201 3.311 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000093820373 431917432 /nfs/dbraw/zinc/91/74/32/431917432.db2.gz QVRLNLPNSGWLDN-AWEZNQCLSA-N 1 2 302.201 3.311 20 10 DGCDLO Cc1nnc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000052917294 431959632 /nfs/dbraw/zinc/95/96/32/431959632.db2.gz YFFZAJBAMXVAFY-UHFFFAOYSA-N 1 2 300.406 3.000 20 10 DGCDLO Cc1nnc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000052917294 431959635 /nfs/dbraw/zinc/95/96/35/431959635.db2.gz YFFZAJBAMXVAFY-UHFFFAOYSA-N 1 2 300.406 3.000 20 10 DGCDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000271195531 432350353 /nfs/dbraw/zinc/35/03/53/432350353.db2.gz NIRJHIIQGXVDPY-ZMPRRUGASA-N 1 2 320.502 3.018 20 10 DGCDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000271195531 432350356 /nfs/dbraw/zinc/35/03/56/432350356.db2.gz NIRJHIIQGXVDPY-ZMPRRUGASA-N 1 2 320.502 3.018 20 10 DGCDLO CC[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1nc(C)cs1 ZINC000174499428 432352184 /nfs/dbraw/zinc/35/21/84/432352184.db2.gz ZXNDCUQSKDZDDJ-OAHLLOKOSA-N 1 2 321.402 3.480 20 10 DGCDLO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000184869616 432441631 /nfs/dbraw/zinc/44/16/31/432441631.db2.gz MPOSKZIAHQPYFR-SECBINFHSA-N 1 2 319.232 3.122 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(Cl)c(Cl)c1O ZINC000184982514 432452077 /nfs/dbraw/zinc/45/20/77/432452077.db2.gz BYBJDIFMPNMKNL-LDYMZIIASA-N 1 2 317.216 3.018 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000271804031 432423767 /nfs/dbraw/zinc/42/37/67/432423767.db2.gz LIKUYSRQXLZSFJ-ZDUSSCGKSA-N 1 2 304.777 3.094 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000271804031 432423770 /nfs/dbraw/zinc/42/37/70/432423770.db2.gz LIKUYSRQXLZSFJ-ZDUSSCGKSA-N 1 2 304.777 3.094 20 10 DGCDLO CCOc1ccc(O)c(C[N@H+](C)Cc2nccn2C(F)F)c1 ZINC000155021561 432534431 /nfs/dbraw/zinc/53/44/31/432534431.db2.gz QMJYCDHIDXXDSH-UHFFFAOYSA-N 1 2 311.332 3.015 20 10 DGCDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2nccn2C(F)F)c1 ZINC000155021561 432534434 /nfs/dbraw/zinc/53/44/34/432534434.db2.gz QMJYCDHIDXXDSH-UHFFFAOYSA-N 1 2 311.332 3.015 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000186648825 432617760 /nfs/dbraw/zinc/61/77/60/432617760.db2.gz QXQFBPOMFUWWBI-OAHLLOKOSA-N 1 2 319.499 3.499 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCSC[C@@H]2c2nccs2)cc1 ZINC000186648825 432617763 /nfs/dbraw/zinc/61/77/63/432617763.db2.gz QXQFBPOMFUWWBI-OAHLLOKOSA-N 1 2 319.499 3.499 20 10 DGCDLO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)c(F)c1O ZINC000187828039 432687626 /nfs/dbraw/zinc/68/76/26/432687626.db2.gz QPBFPMJBRLWMGG-JIVACREVSA-N 1 2 309.356 3.279 20 10 DGCDLO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2O)[nH]1 ZINC000276851343 432826861 /nfs/dbraw/zinc/82/68/61/432826861.db2.gz BCRCNFGYIYTVNG-RKDXNWHRSA-N 1 2 310.348 3.324 20 10 DGCDLO Cc1ccccc1-c1nc(C[NH2+]Cc2ccc(N(C)C)cc2)no1 ZINC000276805957 432827032 /nfs/dbraw/zinc/82/70/32/432827032.db2.gz WSIXDKVUJGSEPO-UHFFFAOYSA-N 1 2 322.412 3.401 20 10 DGCDLO CCn1cnnc1C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278323651 432891015 /nfs/dbraw/zinc/89/10/15/432891015.db2.gz VHRYZBUUGYUFGA-MRVPVSSYSA-N 1 2 315.204 3.161 20 10 DGCDLO OC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1C(F)(F)F ZINC000289957462 432981583 /nfs/dbraw/zinc/98/15/83/432981583.db2.gz YYYDQEVZSMEBOI-QWRGUYRKSA-N 1 2 323.742 3.038 20 10 DGCDLO OC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1C(F)(F)F ZINC000289957462 432981586 /nfs/dbraw/zinc/98/15/86/432981586.db2.gz YYYDQEVZSMEBOI-QWRGUYRKSA-N 1 2 323.742 3.038 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc(F)c(F)c1O ZINC000290165756 433004918 /nfs/dbraw/zinc/00/49/18/433004918.db2.gz DMYMPRKNLQDJCW-GHMZBOCLSA-N 1 2 305.324 3.497 20 10 DGCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)no1 ZINC000290214346 433013588 /nfs/dbraw/zinc/01/35/88/433013588.db2.gz QEKMQCDAIICULP-QWHCGFSZSA-N 1 2 318.421 3.084 20 10 DGCDLO COC[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O)OC ZINC000273455799 293108960 /nfs/dbraw/zinc/10/89/60/293108960.db2.gz PLUFLNBCGVPDSK-BDAKNGLRSA-N 1 2 308.205 3.011 20 10 DGCDLO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@H]2c2nccn2C)c1 ZINC000294754904 434132162 /nfs/dbraw/zinc/13/21/62/434132162.db2.gz IOUBHJDQFHQVBD-MRXNPFEDSA-N 1 2 315.417 3.108 20 10 DGCDLO CCOc1ccc(O)c(C[N@H+]2CC(C)(C)[C@H]2c2nccn2C)c1 ZINC000294754904 434132172 /nfs/dbraw/zinc/13/21/72/434132172.db2.gz IOUBHJDQFHQVBD-MRXNPFEDSA-N 1 2 315.417 3.108 20 10 DGCDLO C[N@H+](Cc1nccn1C(F)F)Cc1cc(Cl)c(F)cc1O ZINC000295363169 434330152 /nfs/dbraw/zinc/33/01/52/434330152.db2.gz NWOFSSOYXUFNKT-UHFFFAOYSA-N 1 2 319.714 3.408 20 10 DGCDLO C[N@@H+](Cc1nccn1C(F)F)Cc1cc(Cl)c(F)cc1O ZINC000295363169 434330162 /nfs/dbraw/zinc/33/01/62/434330162.db2.gz NWOFSSOYXUFNKT-UHFFFAOYSA-N 1 2 319.714 3.408 20 10 DGCDLO CC[C@@H]([NH2+]Cc1ncn(C)n1)c1cc(Cl)cc(Cl)c1O ZINC000287762203 434442864 /nfs/dbraw/zinc/44/28/64/434442864.db2.gz QXMVWXILCXSADQ-LLVKDONJSA-N 1 2 315.204 3.068 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000371373603 434680922 /nfs/dbraw/zinc/68/09/22/434680922.db2.gz NMKGJSSICVYZIC-MRXNPFEDSA-N 1 2 300.406 3.253 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000371373603 434680929 /nfs/dbraw/zinc/68/09/29/434680929.db2.gz NMKGJSSICVYZIC-MRXNPFEDSA-N 1 2 300.406 3.253 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(N(C)C)cc2)no1 ZINC000361168473 434820102 /nfs/dbraw/zinc/82/01/02/434820102.db2.gz NSTPNSPRVSSHAU-INIZCTEOSA-N 1 2 314.433 3.425 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(N(C)C)cc2)no1 ZINC000361168473 434820106 /nfs/dbraw/zinc/82/01/06/434820106.db2.gz NSTPNSPRVSSHAU-INIZCTEOSA-N 1 2 314.433 3.425 20 10 DGCDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1c(O)cccc1Cl ZINC000131734770 523276160 /nfs/dbraw/zinc/27/61/60/523276160.db2.gz IHYKQVSPEOGALJ-OAQYLSRUSA-N 1 2 323.845 3.415 20 10 DGCDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1c(O)cccc1Cl ZINC000131734770 523276166 /nfs/dbraw/zinc/27/61/66/523276166.db2.gz IHYKQVSPEOGALJ-OAQYLSRUSA-N 1 2 323.845 3.415 20 10 DGCDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc3c(c2)CCO3)cs1 ZINC000267648777 523915860 /nfs/dbraw/zinc/91/58/60/523915860.db2.gz TWTWYBWLOAHVQL-LLVKDONJSA-N 1 2 304.415 3.075 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1n1ccnc1 ZINC000180720073 524293310 /nfs/dbraw/zinc/29/33/10/524293310.db2.gz PNIDRYUWTMGIGT-WFASDCNBSA-N 1 2 305.809 3.325 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1n1ccnc1 ZINC000180720073 524293321 /nfs/dbraw/zinc/29/33/21/524293321.db2.gz PNIDRYUWTMGIGT-WFASDCNBSA-N 1 2 305.809 3.325 20 10 DGCDLO C[S@@](=O)C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000182099787 525366800 /nfs/dbraw/zinc/36/68/00/525366800.db2.gz IJYKAEOPHJBUSM-QVKFZJNVSA-N 1 2 323.845 3.255 20 10 DGCDLO C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(F)c(F)c1O ZINC000191212800 525496941 /nfs/dbraw/zinc/49/69/41/525496941.db2.gz FNOLIBIMLKDDMQ-OTYXRUKQSA-N 1 2 311.303 3.194 20 10 DGCDLO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2O)cc1 ZINC000191213119 525783335 /nfs/dbraw/zinc/78/33/35/525783335.db2.gz GFJLRZHTXGULPW-ABAIWWIYSA-N 1 2 307.340 3.363 20 10 DGCDLO OCC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000189932873 527571909 /nfs/dbraw/zinc/57/19/09/527571909.db2.gz SHGIKIZEQRPOHV-NOZJJQNGSA-N 1 2 304.217 3.340 20 10 DGCDLO Oc1cccc(Cl)c1C[NH2+]Cc1nnc(-c2ccccc2)[nH]1 ZINC000733900751 574641876 /nfs/dbraw/zinc/64/18/76/574641876.db2.gz FIRMBXSPRFFGJY-UHFFFAOYSA-N 1 2 314.776 3.121 20 10 DGCDLO Oc1cccc(Cl)c1C[NH2+]Cc1nc(-c2ccccc2)n[nH]1 ZINC000733900751 574641878 /nfs/dbraw/zinc/64/18/78/574641878.db2.gz FIRMBXSPRFFGJY-UHFFFAOYSA-N 1 2 314.776 3.121 20 10 DGCDLO CCOc1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)c(O)c1 ZINC000725851321 575932351 /nfs/dbraw/zinc/93/23/51/575932351.db2.gz OEJMCNDAFQJKMK-UHFFFAOYSA-N 1 2 317.389 3.041 20 10 DGCDLO C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1O)Cn1cccn1 ZINC000725847438 575929234 /nfs/dbraw/zinc/92/92/34/575929234.db2.gz LRISZCLXVYBOSO-SNVBAGLBSA-N 1 2 314.216 3.321 20 10 DGCDLO CC/C=C(\C)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726562988 576030979 /nfs/dbraw/zinc/03/09/79/576030979.db2.gz UEPCMINRFZYDIK-LHHJGKSTSA-N 1 2 302.418 3.137 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cccc(Cl)c1O ZINC000806161955 617632301 /nfs/dbraw/zinc/63/23/01/617632301.db2.gz PSUSJKMNNIKJIK-ZANVPECISA-N 1 2 321.812 3.169 20 10 DGCDLO CC[N@H+](Cc1cc(Cl)cc(Br)c1O)[C@H](C)CO ZINC000894831291 618469889 /nfs/dbraw/zinc/46/98/89/618469889.db2.gz NFAJGQKOGVTJLV-MRVPVSSYSA-N 1 2 322.630 3.011 20 10 DGCDLO CC[N@@H+](Cc1cc(Cl)cc(Br)c1O)[C@H](C)CO ZINC000894831291 618469891 /nfs/dbraw/zinc/46/98/91/618469891.db2.gz NFAJGQKOGVTJLV-MRVPVSSYSA-N 1 2 322.630 3.011 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000894872203 618484399 /nfs/dbraw/zinc/48/43/99/618484399.db2.gz ZRZOWLGSLYODIS-UHFFFAOYSA-N 1 2 311.372 3.188 20 10 DGCDLO C[N@H+](Cc1cc(Br)cc(F)c1O)[C@@H]1CCSC1 ZINC000893928844 618677714 /nfs/dbraw/zinc/67/77/14/618677714.db2.gz GFTCMZJEWZWBNQ-SNVBAGLBSA-N 1 2 320.227 3.231 20 10 DGCDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)[C@@H]1CCSC1 ZINC000893928844 618677715 /nfs/dbraw/zinc/67/77/15/618677715.db2.gz GFTCMZJEWZWBNQ-SNVBAGLBSA-N 1 2 320.227 3.231 20 10 DGCDLO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894019732 618693652 /nfs/dbraw/zinc/69/36/52/618693652.db2.gz BNYDOHAGGHCWFK-NSHDSACASA-N 1 2 307.340 3.439 20 10 DGCDLO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894019732 618693653 /nfs/dbraw/zinc/69/36/53/618693653.db2.gz BNYDOHAGGHCWFK-NSHDSACASA-N 1 2 307.340 3.439 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000894092798 618708519 /nfs/dbraw/zinc/70/85/19/618708519.db2.gz BYQSZQFJSDSPRI-SJCJKPOMSA-N 1 2 322.399 3.119 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000894092798 618708520 /nfs/dbraw/zinc/70/85/20/618708520.db2.gz BYQSZQFJSDSPRI-SJCJKPOMSA-N 1 2 322.399 3.119 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000894092798 618708521 /nfs/dbraw/zinc/70/85/21/618708521.db2.gz BYQSZQFJSDSPRI-SJCJKPOMSA-N 1 2 322.399 3.119 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000894092798 618708523 /nfs/dbraw/zinc/70/85/23/618708523.db2.gz BYQSZQFJSDSPRI-SJCJKPOMSA-N 1 2 322.399 3.119 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000896938287 618989044 /nfs/dbraw/zinc/98/90/44/618989044.db2.gz NUHHUAXQQKWAEI-UHFFFAOYSA-N 1 2 310.445 3.151 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000896938287 618989046 /nfs/dbraw/zinc/98/90/46/618989046.db2.gz NUHHUAXQQKWAEI-UHFFFAOYSA-N 1 2 310.445 3.151 20 10 DGCDLO C[C@]1(Br)C[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000898215797 619222405 /nfs/dbraw/zinc/22/24/05/619222405.db2.gz QYAKPMISRWYEOD-CABZTGNLSA-N 1 2 304.615 3.309 20 10 DGCDLO COc1c(C)c[nH+]c(CNC(=S)Nc2cccc(F)c2)c1C ZINC000899463888 619344130 /nfs/dbraw/zinc/34/41/30/619344130.db2.gz MGWCFCIBTBEXPI-UHFFFAOYSA-N 1 2 319.405 3.333 20 10 DGCDLO [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000904462879 619922791 /nfs/dbraw/zinc/92/27/91/619922791.db2.gz ZLBHNWCBXBOJFZ-HUUCEWRRSA-N 1 2 323.223 3.413 20 10 DGCDLO Cc1cc(C)c(C(=O)NCc2cc(Cl)ccc2O)c(C)[nH+]1 ZINC000911899272 620349969 /nfs/dbraw/zinc/34/99/69/620349969.db2.gz UUVVYCZYDVNOEL-UHFFFAOYSA-N 1 2 304.777 3.296 20 10 DGCDLO c1cc2c(cc1C[NH2+]Cc1nnc(C3CC3)s1)CCCO2 ZINC000922183527 621001863 /nfs/dbraw/zinc/00/18/63/621001863.db2.gz FIGULWLUOTXIMU-UHFFFAOYSA-N 1 2 301.415 3.030 20 10 DGCDLO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000858584291 621207191 /nfs/dbraw/zinc/20/71/91/621207191.db2.gz PIRFYVHPSTWNBJ-HGNGGELXSA-N 1 2 318.186 3.122 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cc(F)cc(F)c1O ZINC000756378875 621632912 /nfs/dbraw/zinc/63/29/12/621632912.db2.gz JFSOPXCLUUXPPL-MFKMUULPSA-N 1 2 305.324 3.325 20 10 DGCDLO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756461540 621640066 /nfs/dbraw/zinc/64/00/66/621640066.db2.gz UIBILNSCGGZCJT-ZBEGNZNMSA-N 1 2 307.340 3.363 20 10 DGCDLO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1O ZINC000756573007 621650335 /nfs/dbraw/zinc/65/03/35/621650335.db2.gz OPOARDOWTBOHME-LLVKDONJSA-N 1 2 319.351 3.499 20 10 DGCDLO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756576279 621650522 /nfs/dbraw/zinc/65/05/22/621650522.db2.gz LXPPJZWTGVGGIF-BZNIZROVSA-N 1 2 307.340 3.363 20 10 DGCDLO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756615983 621653221 /nfs/dbraw/zinc/65/32/21/621653221.db2.gz YABBQIFONDJEIR-VHSXEESVSA-N 1 2 323.387 3.303 20 10 DGCDLO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756636302 621654707 /nfs/dbraw/zinc/65/47/07/621654707.db2.gz WSCURNSFWAEQOQ-DGCLKSJQSA-N 1 2 307.340 3.097 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756636306 621654717 /nfs/dbraw/zinc/65/47/17/621654717.db2.gz WSCURNSFWAEQOQ-YPMHNXCESA-N 1 2 307.340 3.097 20 10 DGCDLO C[C@H]([NH2+][C@@H]1CCSC1)c1cc(Br)cc(F)c1O ZINC000756730865 621661410 /nfs/dbraw/zinc/66/14/10/621661410.db2.gz CAVAHPSCJHHFHC-IONNQARKSA-N 1 2 320.227 3.450 20 10 DGCDLO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756768976 621663319 /nfs/dbraw/zinc/66/33/19/621663319.db2.gz CGQRPFFYBUEEQF-BMIGLBTASA-N 1 2 301.377 3.364 20 10 DGCDLO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1cc(F)ccc1O ZINC000756868954 621669393 /nfs/dbraw/zinc/66/93/93/621669393.db2.gz ZFSAKAUUJQJXDB-LLVKDONJSA-N 1 2 312.348 3.167 20 10 DGCDLO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000757920900 621746856 /nfs/dbraw/zinc/74/68/56/621746856.db2.gz STALFBAFYHVQFB-CQSZACIVSA-N 1 2 303.761 3.006 20 10 DGCDLO Cc1ccc(O)c(CN2CC[NH+](Cc3cccs3)CC2)c1 ZINC000119904156 621749737 /nfs/dbraw/zinc/74/97/37/621749737.db2.gz LRKLKHBLSGPQAY-UHFFFAOYSA-N 1 2 302.443 3.080 20 10 DGCDLO Oc1ccc(Cl)cc1C[NH+]1CCN(Cc2ccsc2)CC1 ZINC000768208119 622445485 /nfs/dbraw/zinc/44/54/85/622445485.db2.gz NGMMFIFJZBHCOP-UHFFFAOYSA-N 1 2 322.861 3.425 20 10 DGCDLO Oc1ccc(Cl)cc1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000768208119 622445486 /nfs/dbraw/zinc/44/54/86/622445486.db2.gz NGMMFIFJZBHCOP-UHFFFAOYSA-N 1 2 322.861 3.425 20 10 DGCDLO CCc1nc(C[N@H+](C)Cc2cc(OC)c(C)cc2O)cs1 ZINC000768442135 622456303 /nfs/dbraw/zinc/45/63/03/622456303.db2.gz JIPURXFYRGOIRB-UHFFFAOYSA-N 1 2 306.431 3.360 20 10 DGCDLO CCc1nc(C[N@@H+](C)Cc2cc(OC)c(C)cc2O)cs1 ZINC000768442135 622456304 /nfs/dbraw/zinc/45/63/04/622456304.db2.gz JIPURXFYRGOIRB-UHFFFAOYSA-N 1 2 306.431 3.360 20 10 DGCDLO COc1cc(O)c(C[N@H+](CC(F)F)CC2CCC2)cc1OC ZINC000768464616 622457991 /nfs/dbraw/zinc/45/79/91/622457991.db2.gz DENWSRWILAALSG-UHFFFAOYSA-N 1 2 315.360 3.277 20 10 DGCDLO COc1cc(O)c(C[N@@H+](CC(F)F)CC2CCC2)cc1OC ZINC000768464616 622457992 /nfs/dbraw/zinc/45/79/92/622457992.db2.gz DENWSRWILAALSG-UHFFFAOYSA-N 1 2 315.360 3.277 20 10 DGCDLO C[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCO[C@H]1C1CC1 ZINC000768540590 622463560 /nfs/dbraw/zinc/46/35/60/622463560.db2.gz JMOJNWIXWOTSSZ-HOTGVXAUSA-N 1 2 313.800 3.480 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)cc1 ZINC000769524609 622537825 /nfs/dbraw/zinc/53/78/25/622537825.db2.gz PSCHACSJHDNYEJ-HNNXBMFYSA-N 1 2 306.450 3.305 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)cc1 ZINC000769524609 622537827 /nfs/dbraw/zinc/53/78/27/622537827.db2.gz PSCHACSJHDNYEJ-HNNXBMFYSA-N 1 2 306.450 3.305 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCN1CC(F)(F)F ZINC000770393490 622629330 /nfs/dbraw/zinc/62/93/30/622629330.db2.gz YQFPYVWXHVVYTD-SNVBAGLBSA-N 1 2 322.758 3.114 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCN1CC(F)(F)F ZINC000770393490 622629333 /nfs/dbraw/zinc/62/93/33/622629333.db2.gz YQFPYVWXHVVYTD-SNVBAGLBSA-N 1 2 322.758 3.114 20 10 DGCDLO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000775200635 623241410 /nfs/dbraw/zinc/24/14/10/623241410.db2.gz NIJVYFARHOMOBY-HNNXBMFYSA-N 1 2 309.768 3.316 20 10 DGCDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000775362619 623260560 /nfs/dbraw/zinc/26/05/60/623260560.db2.gz IZVSOGJNZGNVTA-LBPRGKRZSA-N 1 2 315.373 3.217 20 10 DGCDLO CSCC[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000125024145 623275496 /nfs/dbraw/zinc/27/54/96/623275496.db2.gz XTJSYTTXSFQAOU-SECBINFHSA-N 1 2 304.253 3.386 20 10 DGCDLO C[C@H]([NH2+]CCC(C)(C)O)c1cc(Br)cc(F)c1O ZINC000775586569 623293834 /nfs/dbraw/zinc/29/38/34/623293834.db2.gz SIKISIHIEMHPJG-QMMMGPOBSA-N 1 2 320.202 3.105 20 10 DGCDLO Oc1c(Cl)cccc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000775725086 623319301 /nfs/dbraw/zinc/31/93/01/623319301.db2.gz HHSIXEWKLLXVOB-CYBMUJFWSA-N 1 2 323.742 3.181 20 10 DGCDLO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cc(Cl)cc(F)c1O ZINC000775723569 623320097 /nfs/dbraw/zinc/32/00/97/623320097.db2.gz HREYWNVGAIOMGI-UHFFFAOYSA-N 1 2 317.788 3.348 20 10 DGCDLO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cc(Cl)cc(F)c1O ZINC000775723569 623320100 /nfs/dbraw/zinc/32/01/00/623320100.db2.gz HREYWNVGAIOMGI-UHFFFAOYSA-N 1 2 317.788 3.348 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1n1ccnc1 ZINC000775738246 623322285 /nfs/dbraw/zinc/32/22/85/623322285.db2.gz XFUNCAWPVZPHIU-NHYWBVRUSA-N 1 2 323.799 3.464 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1n1ccnc1 ZINC000775738246 623322292 /nfs/dbraw/zinc/32/22/92/623322292.db2.gz XFUNCAWPVZPHIU-NHYWBVRUSA-N 1 2 323.799 3.464 20 10 DGCDLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000775833792 623339789 /nfs/dbraw/zinc/33/97/89/623339789.db2.gz MHSOYWPXKDGJAX-LLVKDONJSA-N 1 2 318.446 3.018 20 10 DGCDLO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776209560 623397120 /nfs/dbraw/zinc/39/71/20/623397120.db2.gz ZQIVNCOIFFIZRE-OAHLLOKOSA-N 1 2 303.805 3.462 20 10 DGCDLO OCCC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCCC1 ZINC000776220462 623399537 /nfs/dbraw/zinc/39/95/37/623399537.db2.gz NTGSNBZJPDNMER-UHFFFAOYSA-N 1 2 301.789 3.217 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000125582208 623491598 /nfs/dbraw/zinc/49/15/98/623491598.db2.gz FSKSAKNESNZZBC-GOSISDBHSA-N 1 2 306.413 3.355 20 10 DGCDLO CC[C@H]([NH2+]CC[C@@H](C)[S@@](C)=O)c1cccc(Cl)c1O ZINC000806147981 623613925 /nfs/dbraw/zinc/61/39/25/623613925.db2.gz BRPSNXCNBWVZDV-KPGGICDASA-N 1 2 303.855 3.243 20 10 DGCDLO CCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC(F)F ZINC000876657643 623672428 /nfs/dbraw/zinc/67/24/28/623672428.db2.gz QEBXTLODFQDJKU-UHFFFAOYSA-N 1 2 312.404 3.125 20 10 DGCDLO CCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC(F)F ZINC000876657643 623672430 /nfs/dbraw/zinc/67/24/30/623672430.db2.gz QEBXTLODFQDJKU-UHFFFAOYSA-N 1 2 312.404 3.125 20 10 DGCDLO Oc1c(F)c(F)ccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000876807428 623710509 /nfs/dbraw/zinc/71/05/09/623710509.db2.gz DHOHSNVILXEOQE-OCCSQVGLSA-N 1 2 323.339 3.352 20 10 DGCDLO Oc1c(F)c(F)ccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000876807428 623710512 /nfs/dbraw/zinc/71/05/12/623710512.db2.gz DHOHSNVILXEOQE-OCCSQVGLSA-N 1 2 323.339 3.352 20 10 DGCDLO C[C@@H](O)[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccccc1F ZINC000877611748 623962367 /nfs/dbraw/zinc/96/23/67/623962367.db2.gz ZAXYVPRNGBDDCP-PSLIRLAXSA-N 1 2 311.303 3.021 20 10 DGCDLO C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)CC1(C)OCCO1 ZINC000877670667 623985302 /nfs/dbraw/zinc/98/53/02/623985302.db2.gz UPUTWHDMQWVSGT-JTQLQIEISA-N 1 2 317.788 3.064 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@H](O)C[C@H]2c2ccccc2)ccc(F)c1F ZINC000877673741 623987182 /nfs/dbraw/zinc/98/71/82/623987182.db2.gz QXVFGPQPHOLZKE-HOCLYGCPSA-N 1 2 319.351 3.368 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)ccc(F)c1F ZINC000877673741 623987188 /nfs/dbraw/zinc/98/71/88/623987188.db2.gz QXVFGPQPHOLZKE-HOCLYGCPSA-N 1 2 319.351 3.368 20 10 DGCDLO CC(C)(O)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000877753645 624019481 /nfs/dbraw/zinc/01/94/81/624019481.db2.gz ISXJJMIZEKVFAN-UHFFFAOYSA-N 1 2 301.789 3.168 20 10 DGCDLO COc1ccccc1[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000877754855 624020897 /nfs/dbraw/zinc/02/08/97/624020897.db2.gz VHOVCSPGTIMTGD-SFHVURJKSA-N 1 2 317.360 3.113 20 10 DGCDLO COc1ccccc1[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000877754855 624020902 /nfs/dbraw/zinc/02/09/02/624020902.db2.gz VHOVCSPGTIMTGD-SFHVURJKSA-N 1 2 317.360 3.113 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCc3ncsc3C2)c1O ZINC000783746025 624390417 /nfs/dbraw/zinc/39/04/17/624390417.db2.gz URLABHPITJRXEJ-UHFFFAOYSA-N 1 2 310.806 3.069 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCc3ncsc3C2)c1O ZINC000783746025 624390419 /nfs/dbraw/zinc/39/04/19/624390419.db2.gz URLABHPITJRXEJ-UHFFFAOYSA-N 1 2 310.806 3.069 20 10 DGCDLO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000790934594 625717237 /nfs/dbraw/zinc/71/72/37/625717237.db2.gz NRZXYHORKYGJCC-MFKMUULPSA-N 1 2 301.789 3.310 20 10 DGCDLO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000790934594 625717243 /nfs/dbraw/zinc/71/72/43/625717243.db2.gz NRZXYHORKYGJCC-MFKMUULPSA-N 1 2 301.789 3.310 20 10 DGCDLO Cn1nc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c2ccccc21 ZINC000790986647 625731088 /nfs/dbraw/zinc/73/10/88/625731088.db2.gz RYMFCYLBFGSUPZ-UHFFFAOYSA-N 1 2 319.767 3.361 20 10 DGCDLO Oc1c(F)cc(F)cc1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000883071910 625916435 /nfs/dbraw/zinc/91/64/35/625916435.db2.gz QWWOAHJMCLKCPO-UHFFFAOYSA-N 1 2 305.328 3.278 20 10 DGCDLO C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000799732130 626326010 /nfs/dbraw/zinc/32/60/10/626326010.db2.gz VKAAVDOJNYLGSX-IUODEOHRSA-N 1 2 321.367 3.315 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@H](C)[S@@]1=O ZINC000809700121 626938584 /nfs/dbraw/zinc/93/85/84/626938584.db2.gz XVLDTHDGWDOUHA-CJAGKMTESA-N 1 2 315.866 3.085 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@H](C)[S@@]1=O ZINC000809700121 626938589 /nfs/dbraw/zinc/93/85/89/626938589.db2.gz XVLDTHDGWDOUHA-CJAGKMTESA-N 1 2 315.866 3.085 20 10 DGCDLO CCC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)cc(OC)c1O ZINC000809716542 626940470 /nfs/dbraw/zinc/94/04/70/626940470.db2.gz WMGPRTCHLSXOBA-AWEZNQCLSA-N 1 2 312.841 3.018 20 10 DGCDLO CCC[N@H+]1CCC[C@H]1CNCc1cc(Cl)cc(OC)c1O ZINC000809716542 626940472 /nfs/dbraw/zinc/94/04/72/626940472.db2.gz WMGPRTCHLSXOBA-AWEZNQCLSA-N 1 2 312.841 3.018 20 10 DGCDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886522644 627156759 /nfs/dbraw/zinc/15/67/59/627156759.db2.gz NVEOEPXKXWNCGB-JTQLQIEISA-N 1 2 320.320 3.299 20 10 DGCDLO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccccc1F ZINC000886631619 627177201 /nfs/dbraw/zinc/17/72/01/627177201.db2.gz RHQGGIYCUAVXMW-PSVSLLHZSA-N 1 2 307.340 3.443 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178413 627547230 /nfs/dbraw/zinc/54/72/30/627547230.db2.gz PCWIOJBGPPAYEK-ZDUSSCGKSA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178413 627547231 /nfs/dbraw/zinc/54/72/31/627547231.db2.gz PCWIOJBGPPAYEK-ZDUSSCGKSA-N 1 2 313.800 3.433 20 10 DGCDLO OCC(F)(F)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815616875 627691173 /nfs/dbraw/zinc/69/11/73/627691173.db2.gz ALHCJSOOQWGLPY-INIZCTEOSA-N 1 2 321.367 3.283 20 10 DGCDLO OCC(F)(F)C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815616876 627691209 /nfs/dbraw/zinc/69/12/09/627691209.db2.gz ALHCJSOOQWGLPY-MRXNPFEDSA-N 1 2 321.367 3.283 20 10 DGCDLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816513643 627799205 /nfs/dbraw/zinc/79/92/05/627799205.db2.gz XHPQMDZGSGBFAI-MRXNPFEDSA-N 1 2 321.779 3.276 20 10 DGCDLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816513643 627799209 /nfs/dbraw/zinc/79/92/09/627799209.db2.gz XHPQMDZGSGBFAI-MRXNPFEDSA-N 1 2 321.779 3.276 20 10 DGCDLO Cc1c(Cl)c(C[NH2+]Cc2ccc3c(c2)CCCN3C)nn1C ZINC000817407677 627894727 /nfs/dbraw/zinc/89/47/27/627894727.db2.gz XXMXNFINTHZNGS-UHFFFAOYSA-N 1 2 318.852 3.054 20 10 DGCDLO Cc1c(Cl)c(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)nn1C ZINC000817410864 627895486 /nfs/dbraw/zinc/89/54/86/627895486.db2.gz UJWBUPWYYKLHAE-LLVKDONJSA-N 1 2 306.841 3.299 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]C1CC(CF)(CF)C1 ZINC000825710536 628788551 /nfs/dbraw/zinc/78/85/51/628788551.db2.gz SIVKRSBMRYVSPY-UHFFFAOYSA-N 1 2 320.177 3.332 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000827648875 628979785 /nfs/dbraw/zinc/97/97/85/628979785.db2.gz FHZHLUPJYHIBSQ-UHFFFAOYSA-N 1 2 323.742 3.215 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@H](C)O ZINC000834886964 629797847 /nfs/dbraw/zinc/79/78/47/629797847.db2.gz GGYHVUGRKGVWSV-UBJUHAIHSA-N 1 2 320.202 3.104 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000835026122 629828357 /nfs/dbraw/zinc/82/83/57/629828357.db2.gz QALLTNPEDYRDFJ-RCFWFJCLSA-N 1 2 310.445 3.369 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000835026122 629828361 /nfs/dbraw/zinc/82/83/61/629828361.db2.gz QALLTNPEDYRDFJ-RCFWFJCLSA-N 1 2 310.445 3.369 20 10 DGCDLO COc1ccc(O)c(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c1 ZINC000836629637 630143881 /nfs/dbraw/zinc/14/38/81/630143881.db2.gz PVVQVLFZYKZDQE-UHFFFAOYSA-N 1 2 315.373 3.043 20 10 DGCDLO Cc1nc(C2([NH2+]Cc3ccc(N(C)C)cc3C)CCCC2)no1 ZINC000840931773 630380156 /nfs/dbraw/zinc/38/01/56/630380156.db2.gz JXBAXUNZLAWYQK-UHFFFAOYSA-N 1 2 314.433 3.312 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c(Cl)c1 ZINC000840950313 630383246 /nfs/dbraw/zinc/38/32/46/630383246.db2.gz IUJSIFKVRCTCPC-HXUWFJFHSA-N 1 2 315.866 3.087 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)c(Cl)c1 ZINC000840950313 630383249 /nfs/dbraw/zinc/38/32/49/630383249.db2.gz IUJSIFKVRCTCPC-HXUWFJFHSA-N 1 2 315.866 3.087 20 10 DGCDLO C[C@@H]([NH2+]Cc1cccc(Br)c1O)[C@@H]1CC1(F)F ZINC000840967873 630387971 /nfs/dbraw/zinc/38/79/71/630387971.db2.gz KNGVXQUYWXSXBA-APPZFPTMSA-N 1 2 306.150 3.288 20 10 DGCDLO OCC1([NH2+]Cc2cccc(Cl)c2O)C2CC3CC(C2)CC1C3 ZINC000840964504 630387621 /nfs/dbraw/zinc/38/76/21/630387621.db2.gz WSOFRNPKGVMNLL-UHFFFAOYSA-N 1 2 321.848 3.322 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000841069473 630404182 /nfs/dbraw/zinc/40/41/82/630404182.db2.gz XHBSSUAZJCSNPO-MRXNPFEDSA-N 1 2 320.795 3.161 20 10 DGCDLO [NH3+]CC[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000841090874 630406617 /nfs/dbraw/zinc/40/66/17/630406617.db2.gz PCJIPNJUFOTWQD-SECBINFHSA-N 1 2 317.138 3.068 20 10 DGCDLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccc(Cl)cc1O ZINC000841749376 630461889 /nfs/dbraw/zinc/46/18/89/630461889.db2.gz DLRKBVAZNQGZTJ-NSHDSACASA-N 1 2 321.808 3.042 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000848927826 631790826 /nfs/dbraw/zinc/79/08/26/631790826.db2.gz OIOMPURRZWRXIO-GJZGRUSLSA-N 1 2 312.816 3.291 20 10 DGCDLO C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cc(F)cc(F)c1O ZINC000850565938 632196587 /nfs/dbraw/zinc/19/65/87/632196587.db2.gz HYLPDLWPLJNBQD-SECBINFHSA-N 1 2 321.314 3.261 20 10 DGCDLO C[C@@]1([NH2+]Cc2cc(Cl)cc(Br)c2O)CCOC1 ZINC000708057510 660916881 /nfs/dbraw/zinc/91/68/81/660916881.db2.gz VQRNKCOGTQSXOX-GFCCVEGCSA-N 1 2 320.614 3.077 20 10 DGCDLO C[C@H]1[N@H+](Cc2ccc(Br)cc2O)CCOC1(C)C ZINC000708321355 660920266 /nfs/dbraw/zinc/92/02/66/660920266.db2.gz SAEJMIFMEKXSCH-SNVBAGLBSA-N 1 2 314.223 3.154 20 10 DGCDLO C[C@H]1[N@@H+](Cc2ccc(Br)cc2O)CCOC1(C)C ZINC000708321355 660920268 /nfs/dbraw/zinc/92/02/68/660920268.db2.gz SAEJMIFMEKXSCH-SNVBAGLBSA-N 1 2 314.223 3.154 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2c(C)noc2C)c1O ZINC000177252858 655918479 /nfs/dbraw/zinc/91/84/79/655918479.db2.gz OFYCNJSCNLSVLG-UHFFFAOYSA-N 1 2 322.792 3.485 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2c(C)noc2C)c1O ZINC000177252858 655918480 /nfs/dbraw/zinc/91/84/80/655918480.db2.gz OFYCNJSCNLSVLG-UHFFFAOYSA-N 1 2 322.792 3.485 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000715786908 661214532 /nfs/dbraw/zinc/21/45/32/661214532.db2.gz BOCCYIUWKKQADU-QMMMGPOBSA-N 1 2 320.227 3.137 20 10 DGCDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2c(O)cc(C)cc2Cl)n1 ZINC000840946043 656581028 /nfs/dbraw/zinc/58/10/28/656581028.db2.gz GTNWKDGGWVTMHA-CYBMUJFWSA-N 1 2 307.781 3.383 20 10 DGCDLO Cc1noc([C@H]2CCC[N@H+]2Cc2c(O)cc(C)cc2Cl)n1 ZINC000840946043 656581030 /nfs/dbraw/zinc/58/10/30/656581030.db2.gz GTNWKDGGWVTMHA-CYBMUJFWSA-N 1 2 307.781 3.383 20 10 DGCDLO C[N@@H+]1CCN(Cc2cccc(F)c2O)[C@@H](c2ccccc2)C1 ZINC000317400638 656616267 /nfs/dbraw/zinc/61/62/67/656616267.db2.gz WMSNCRPYGNKMLG-QGZVFWFLSA-N 1 2 300.377 3.020 20 10 DGCDLO C[N@H+]1CCN(Cc2cccc(F)c2O)[C@@H](c2ccccc2)C1 ZINC000317400638 656616270 /nfs/dbraw/zinc/61/62/70/656616270.db2.gz WMSNCRPYGNKMLG-QGZVFWFLSA-N 1 2 300.377 3.020 20 10 DGCDLO CN1CC[N@H+](Cc2cccc(F)c2O)[C@@H](c2ccccc2)C1 ZINC000317400638 656616273 /nfs/dbraw/zinc/61/62/73/656616273.db2.gz WMSNCRPYGNKMLG-QGZVFWFLSA-N 1 2 300.377 3.020 20 10 DGCDLO CN1CC[N@@H+](Cc2cccc(F)c2O)[C@@H](c2ccccc2)C1 ZINC000317400638 656616275 /nfs/dbraw/zinc/61/62/75/656616275.db2.gz WMSNCRPYGNKMLG-QGZVFWFLSA-N 1 2 300.377 3.020 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000172992758 659369413 /nfs/dbraw/zinc/36/94/13/659369413.db2.gz FPOYCRMVGGKDDJ-UHFFFAOYSA-N 1 2 322.412 3.098 20 10 DGCDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1nc(C(C)(C)C)no1 ZINC000237589494 659930910 /nfs/dbraw/zinc/93/09/10/659930910.db2.gz HSBHMBMBRYOOIJ-NSHDSACASA-N 1 2 301.390 3.153 20 10 DGCDLO CCc1cc(C[N@H+](C)Cc2cn(C)nn2)c(O)c(C(C)(C)C)c1 ZINC001350480306 1180077529 /nfs/dbraw/zinc/07/75/29/1180077529.db2.gz QUZBAPWEFRQIER-UHFFFAOYSA-N 1 2 316.449 3.013 20 10 DGCDLO CCc1cc(C[N@@H+](C)Cc2cn(C)nn2)c(O)c(C(C)(C)C)c1 ZINC001350480306 1180077535 /nfs/dbraw/zinc/07/75/35/1180077535.db2.gz QUZBAPWEFRQIER-UHFFFAOYSA-N 1 2 316.449 3.013 20 10 DGCDLO CCc1cccc(CN2CC[NH+](Cc3cccs3)CC2)c1O ZINC001462036837 1182900200 /nfs/dbraw/zinc/90/02/00/1182900200.db2.gz WDIDOJLEJVZLKX-UHFFFAOYSA-N 1 2 316.470 3.334 20 10 DGCDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001462411614 1182949590 /nfs/dbraw/zinc/94/95/90/1182949590.db2.gz FCQPWRXZPWSRDE-CYBMUJFWSA-N 1 2 312.404 3.420 20 10 DGCDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC001462411614 1182949594 /nfs/dbraw/zinc/94/95/94/1182949594.db2.gz FCQPWRXZPWSRDE-CYBMUJFWSA-N 1 2 312.404 3.420 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC001462418755 1182950618 /nfs/dbraw/zinc/95/06/18/1182950618.db2.gz AUSOVHTXJIXJOT-UHFFFAOYSA-N 1 2 317.698 3.144 20 10 DGCDLO OC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CCCCC1 ZINC001474024426 1183852934 /nfs/dbraw/zinc/85/29/34/1183852934.db2.gz KKBBGKWFPHWIRO-AWEZNQCLSA-N 1 2 301.789 3.216 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccc2nonc2c1 ZINC001560612394 1189348433 /nfs/dbraw/zinc/34/84/33/1189348433.db2.gz KFQFXQWPRJLNSD-UHFFFAOYSA-N 1 2 307.712 3.011 20 10 DGCDLO CN(C)c1cc(F)c(C[N@@H+]2Cc3cccc(O)c3C2)cc1F ZINC001560978012 1189414522 /nfs/dbraw/zinc/41/45/22/1189414522.db2.gz KBSDIEMFIRXGHN-UHFFFAOYSA-N 1 2 304.340 3.252 20 10 DGCDLO CN(C)c1cc(F)c(C[N@H+]2Cc3cccc(O)c3C2)cc1F ZINC001560978012 1189414525 /nfs/dbraw/zinc/41/45/25/1189414525.db2.gz KBSDIEMFIRXGHN-UHFFFAOYSA-N 1 2 304.340 3.252 20 10 DGCDLO Cc1csc(CC[NH2+]Cc2cc(Cl)cc(F)c2O)n1 ZINC001620716587 1193794561 /nfs/dbraw/zinc/79/45/61/1193794561.db2.gz MEUIAPSPKHNPKH-UHFFFAOYSA-N 1 2 300.786 3.282 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H](O)Cc1ccccc1 ZINC001650807849 1195384910 /nfs/dbraw/zinc/38/49/10/1195384910.db2.gz QGOVTOZTFODKFB-BZNIZROVSA-N 1 2 323.795 3.266 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC001653175377 1195695529 /nfs/dbraw/zinc/69/55/29/1195695529.db2.gz YRHLBMQTEKFGAB-HZMBPMFUSA-N 1 2 301.789 3.216 20 10 DGCDLO Cc1occc1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC001657018725 1196093873 /nfs/dbraw/zinc/09/38/73/1196093873.db2.gz VKIFMASXLVLQSY-UHFFFAOYSA-N 1 2 314.154 3.485 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH+]1CCN(c2cccs2)CC1 ZINC001657323383 1196130762 /nfs/dbraw/zinc/13/07/62/1196130762.db2.gz FJZHOCGXCSXSFY-UHFFFAOYSA-N 1 2 310.369 3.054 20 10 DGCDLO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc(F)cc(F)c1O)n2C ZINC001658941808 1196322265 /nfs/dbraw/zinc/32/22/65/1196322265.db2.gz IHZPTGIGNRJMDO-UHFFFAOYSA-N 1 2 317.339 3.155 20 10 DGCDLO CN(C)c1cc(F)c(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1F ZINC001659373607 1196376861 /nfs/dbraw/zinc/37/68/61/1196376861.db2.gz SDWXUTVJCYOZGR-IRXDYDNUSA-N 1 2 324.415 3.420 20 10 DGCDLO CN(C)c1cc(F)c(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1F ZINC001659373607 1196376863 /nfs/dbraw/zinc/37/68/63/1196376863.db2.gz SDWXUTVJCYOZGR-IRXDYDNUSA-N 1 2 324.415 3.420 20 10 DGCDLO C[C@H]1CCC[N@H+](Cc2cccc(F)c2O)[C@H]1C(=O)OC(C)(C)C ZINC001660080419 1196443338 /nfs/dbraw/zinc/44/33/38/1196443338.db2.gz GCQCTUKCFXFJKT-SWLSCSKDSA-N 1 2 323.408 3.474 20 10 DGCDLO C[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)[C@H]1C(=O)OC(C)(C)C ZINC001660080419 1196443341 /nfs/dbraw/zinc/44/33/41/1196443341.db2.gz GCQCTUKCFXFJKT-SWLSCSKDSA-N 1 2 323.408 3.474 20 10 DGCDLO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC001660508944 1196492658 /nfs/dbraw/zinc/49/26/58/1196492658.db2.gz FBYGBTXASREUOP-TXEJJXNPSA-N 1 2 311.809 3.256 20 10 DGCDLO OC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1cccc(F)c1 ZINC001661421276 1196604438 /nfs/dbraw/zinc/60/44/38/1196604438.db2.gz YKGJPLKPEJTBRQ-CQSZACIVSA-N 1 2 313.731 3.147 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H](F)C2)cc1Br ZINC001233138461 1098235777 /nfs/dbraw/zinc/23/57/77/1098235777.db2.gz ABCYTNFZMVTXEE-SNVBAGLBSA-N 1 2 318.186 3.097 20 10 DGCDLO Oc1cc(Cl)ccc1C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001140466061 1082278920 /nfs/dbraw/zinc/27/89/20/1082278920.db2.gz VRNFRBYSHYVJPR-INIZCTEOSA-N 1 2 304.777 3.014 20 10 DGCDLO Oc1cc(Cl)ccc1C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001140466061 1082278923 /nfs/dbraw/zinc/27/89/23/1082278923.db2.gz VRNFRBYSHYVJPR-INIZCTEOSA-N 1 2 304.777 3.014 20 10 DGCDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cccc(F)c1O ZINC001183179532 1083889099 /nfs/dbraw/zinc/88/90/99/1083889099.db2.gz FYVYIXIJHXSCBX-QGZVFWFLSA-N 1 2 309.381 3.228 20 10 DGCDLO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1Cc1cccc(F)c1O ZINC001183179532 1083889118 /nfs/dbraw/zinc/88/91/18/1083889118.db2.gz FYVYIXIJHXSCBX-QGZVFWFLSA-N 1 2 309.381 3.228 20 10 DGCDLO COC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccc(F)cc1 ZINC001184277678 1084149393 /nfs/dbraw/zinc/14/93/93/1084149393.db2.gz LRGJGVFSBRPVIZ-AWEZNQCLSA-N 1 2 311.303 3.287 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001142527274 1087278240 /nfs/dbraw/zinc/27/82/40/1087278240.db2.gz QYZPTXJYALRYJW-HNNXBMFYSA-N 1 2 319.351 3.114 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001142527274 1087278242 /nfs/dbraw/zinc/27/82/42/1087278242.db2.gz QYZPTXJYALRYJW-HNNXBMFYSA-N 1 2 319.351 3.114 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@](C)(C(F)F)O1 ZINC000698928424 1087708480 /nfs/dbraw/zinc/70/84/80/1087708480.db2.gz JSAQKNFERPBGRE-YMTOWFKASA-N 1 2 305.752 3.290 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@](C)(C(F)F)O1 ZINC000698928424 1087708484 /nfs/dbraw/zinc/70/84/84/1087708484.db2.gz JSAQKNFERPBGRE-YMTOWFKASA-N 1 2 305.752 3.290 20 10 DGCDLO COc1ccc(N2CC[NH+](Cc3nc(C)cs3)CC2)c(C)c1 ZINC001204381103 1088191592 /nfs/dbraw/zinc/19/15/92/1088191592.db2.gz VQXGQZWPPCMXDY-UHFFFAOYSA-N 1 2 317.458 3.091 20 10 DGCDLO CSc1cc[nH+]c(N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001155944481 1089308210 /nfs/dbraw/zinc/30/82/10/1089308210.db2.gz FXPXUPUDSCVCLU-UHFFFAOYSA-N 1 2 302.399 3.168 20 10 DGCDLO CC[NH+]1C[C@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC001203587023 1090762296 /nfs/dbraw/zinc/76/22/96/1090762296.db2.gz YSQNKJWSPSTZDS-RYUDHWBXSA-N 1 2 315.244 3.083 20 10 DGCDLO COc1ccc(C[N@@H+]2CCc3nc(Cl)ccc3C2)c(O)c1 ZINC001203627416 1090768840 /nfs/dbraw/zinc/76/88/40/1090768840.db2.gz CKUYRRSLKLTKEQ-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1ccc(C[N@H+]2CCc3nc(Cl)ccc3C2)c(O)c1 ZINC001203627416 1090768844 /nfs/dbraw/zinc/76/88/44/1090768844.db2.gz CKUYRRSLKLTKEQ-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO Oc1ccc(Cl)cc1C[NH+]1CC(OCc2ccccc2)C1 ZINC001203657697 1090774380 /nfs/dbraw/zinc/77/43/80/1090774380.db2.gz MMEBZGZJAZQIIP-UHFFFAOYSA-N 1 2 303.789 3.447 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC(c2ccccc2)C1 ZINC001139131645 1091458551 /nfs/dbraw/zinc/45/85/51/1091458551.db2.gz QRVGOQCUMLLQFY-UHFFFAOYSA-N 1 2 321.376 3.406 20 10 DGCDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001140341683 1091835761 /nfs/dbraw/zinc/83/57/61/1091835761.db2.gz BYXHNZLJLZIZQQ-INIZCTEOSA-N 1 2 304.777 3.014 20 10 DGCDLO COc1cc2c(cn1)CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140468363 1091878289 /nfs/dbraw/zinc/87/82/89/1091878289.db2.gz IHYUYKSTZIUQQG-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140466979 1091879509 /nfs/dbraw/zinc/87/95/09/1091879509.db2.gz OLIFFMWDRWJYFG-ZDUSSCGKSA-N 1 2 311.809 3.352 20 10 DGCDLO O=C(c1ccccc1)[C@@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585489 1091921628 /nfs/dbraw/zinc/92/16/28/1091921628.db2.gz KJIIMWKAXNQTCP-CYBMUJFWSA-N 1 2 317.335 3.375 20 10 DGCDLO O=C(c1ccccc1)[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585489 1091921637 /nfs/dbraw/zinc/92/16/37/1091921637.db2.gz KJIIMWKAXNQTCP-CYBMUJFWSA-N 1 2 317.335 3.375 20 10 DGCDLO Cc1nc2c(o1)CC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141078767 1092130829 /nfs/dbraw/zinc/13/08/29/1092130829.db2.gz IBABOPWSUSFEOY-UHFFFAOYSA-N 1 2 323.440 3.240 20 10 DGCDLO Cc1nc2c(o1)CC[N@@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141078767 1092130836 /nfs/dbraw/zinc/13/08/36/1092130836.db2.gz IBABOPWSUSFEOY-UHFFFAOYSA-N 1 2 323.440 3.240 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCn3nccc3C2)cc1 ZINC001209520110 1092807889 /nfs/dbraw/zinc/80/78/89/1092807889.db2.gz NGQGBAPOYYHNOB-UHFFFAOYSA-N 1 2 306.413 3.306 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCn3nccc3C2)cc1 ZINC001209520110 1092807895 /nfs/dbraw/zinc/80/78/95/1092807895.db2.gz NGQGBAPOYYHNOB-UHFFFAOYSA-N 1 2 306.413 3.306 20 10 DGCDLO C[C@H](c1ccccc1)[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC001138128402 1095898262 /nfs/dbraw/zinc/89/82/62/1095898262.db2.gz HQIRTRBHOLDWDZ-OAHLLOKOSA-N 1 2 314.404 3.410 20 10 DGCDLO C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138128402 1095898283 /nfs/dbraw/zinc/89/82/83/1095898283.db2.gz HQIRTRBHOLDWDZ-OAHLLOKOSA-N 1 2 314.404 3.410 20 10 DGCDLO OC[C@@H]1CCC(F)(F)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879975 1097876884 /nfs/dbraw/zinc/87/68/84/1097876884.db2.gz YVQGXBNNXFPRSR-AWEZNQCLSA-N 1 2 307.340 3.137 20 10 DGCDLO OC[C@@H]1CCC(F)(F)C[N@H+]1Cc1ccc2ccccc2c1O ZINC001231879975 1097876887 /nfs/dbraw/zinc/87/68/87/1097876887.db2.gz YVQGXBNNXFPRSR-AWEZNQCLSA-N 1 2 307.340 3.137 20 10 DGCDLO CCN1C(=O)CCC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001231910780 1097890304 /nfs/dbraw/zinc/89/03/04/1097890304.db2.gz WCXLVYISQXQETE-UHFFFAOYSA-N 1 2 322.836 3.023 20 10 DGCDLO Oc1c(Cl)cccc1C[NH+]1CCC(c2ncccn2)CC1 ZINC001231912690 1097890687 /nfs/dbraw/zinc/89/06/87/1097890687.db2.gz SIMUQIUDWMGCTE-UHFFFAOYSA-N 1 2 303.793 3.215 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2nc(C)no2)cc1Cl ZINC001232269144 1097988464 /nfs/dbraw/zinc/98/84/64/1097988464.db2.gz RTTWVRLPAAQBQP-LBPRGKRZSA-N 1 2 323.780 3.083 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2nc(C)no2)cc1Cl ZINC001232269144 1097988468 /nfs/dbraw/zinc/98/84/68/1097988468.db2.gz RTTWVRLPAAQBQP-LBPRGKRZSA-N 1 2 323.780 3.083 20 10 DGCDLO CC[N@H+](Cc1cc(O)c(O)c(O)c1)Cc1cccc(F)c1F ZINC001233015197 1098203769 /nfs/dbraw/zinc/20/37/69/1098203769.db2.gz IHYIAAFGERLBPZ-UHFFFAOYSA-N 1 2 309.312 3.104 20 10 DGCDLO CC[N@@H+](Cc1cc(O)c(O)c(O)c1)Cc1cccc(F)c1F ZINC001233015197 1098203776 /nfs/dbraw/zinc/20/37/76/1098203776.db2.gz IHYIAAFGERLBPZ-UHFFFAOYSA-N 1 2 309.312 3.104 20 10 DGCDLO C[N@@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@@H](c2ccccc2)C1 ZINC001233074726 1098219054 /nfs/dbraw/zinc/21/90/54/1098219054.db2.gz UXZLANRKOCLWMP-MRXNPFEDSA-N 1 2 318.367 3.159 20 10 DGCDLO C[N@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@@H](c2ccccc2)C1 ZINC001233074726 1098219061 /nfs/dbraw/zinc/21/90/61/1098219061.db2.gz UXZLANRKOCLWMP-MRXNPFEDSA-N 1 2 318.367 3.159 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H](F)C2)cc1Br ZINC001233138461 1098235773 /nfs/dbraw/zinc/23/57/73/1098235773.db2.gz ABCYTNFZMVTXEE-SNVBAGLBSA-N 1 2 318.186 3.097 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001233332436 1098291792 /nfs/dbraw/zinc/29/17/92/1098291792.db2.gz LEYYDLZDKZKHJZ-GFCCVEGCSA-N 1 2 313.241 3.394 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001233332436 1098291796 /nfs/dbraw/zinc/29/17/96/1098291796.db2.gz LEYYDLZDKZKHJZ-GFCCVEGCSA-N 1 2 313.241 3.394 20 10 DGCDLO Oc1ccc(F)c(F)c1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001233334817 1098292273 /nfs/dbraw/zinc/29/22/73/1098292273.db2.gz UYXRCTPMBUFHON-UHFFFAOYSA-N 1 2 320.339 3.109 20 10 DGCDLO COc1ccc2c(c1)C[N@@H+](Cc1c(O)ccc(F)c1F)CC2 ZINC001233332169 1098292567 /nfs/dbraw/zinc/29/25/67/1098292567.db2.gz BBZUQZOQQIFKIC-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1ccc2c(c1)C[N@H+](Cc1c(O)ccc(F)c1F)CC2 ZINC001233332169 1098292570 /nfs/dbraw/zinc/29/25/70/1098292570.db2.gz BBZUQZOQQIFKIC-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233419009 1098325288 /nfs/dbraw/zinc/32/52/88/1098325288.db2.gz FUNJSTQXYCEBIB-CYBMUJFWSA-N 1 2 301.308 3.355 20 10 DGCDLO CC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233419009 1098325297 /nfs/dbraw/zinc/32/52/97/1098325297.db2.gz FUNJSTQXYCEBIB-CYBMUJFWSA-N 1 2 301.308 3.355 20 10 DGCDLO C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCC[C@H](C)C1 ZINC001177262684 1098509104 /nfs/dbraw/zinc/50/91/04/1098509104.db2.gz XEWJEDAFFXUPMJ-RYUDHWBXSA-N 1 2 314.832 3.395 20 10 DGCDLO COc1ccc2ccc(O)c(C[N@@H+]3CCCC(=O)[C@@H](F)C3)c2c1 ZINC001234525262 1098581507 /nfs/dbraw/zinc/58/15/07/1098581507.db2.gz DBVMXOSSVMUFBN-INIZCTEOSA-N 1 2 317.360 3.057 20 10 DGCDLO COc1ccc2ccc(O)c(C[N@H+]3CCCC(=O)[C@@H](F)C3)c2c1 ZINC001234525262 1098581511 /nfs/dbraw/zinc/58/15/11/1098581511.db2.gz DBVMXOSSVMUFBN-INIZCTEOSA-N 1 2 317.360 3.057 20 10 DGCDLO C[C@]1(CF)CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235056973 1098778102 /nfs/dbraw/zinc/77/81/02/1098778102.db2.gz KTNGYRMZIODYRY-CYBMUJFWSA-N 1 2 320.177 3.475 20 10 DGCDLO C[C@]1(CF)CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC001235056973 1098778111 /nfs/dbraw/zinc/77/81/11/1098778111.db2.gz KTNGYRMZIODYRY-CYBMUJFWSA-N 1 2 320.177 3.475 20 10 DGCDLO C[NH+]1CCC2(CN(Cc3cc(Cl)c(Cl)cc3O)C2)CC1 ZINC001236798693 1099793720 /nfs/dbraw/zinc/79/37/20/1099793720.db2.gz KSRNXEVGTMFHFH-UHFFFAOYSA-N 1 2 315.244 3.227 20 10 DGCDLO COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(O)c1Cl ZINC001236802242 1099795715 /nfs/dbraw/zinc/79/57/15/1099795715.db2.gz PZUHXKNAYVITPP-WCFLWFBJSA-N 1 2 311.809 3.054 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c(O)c1Cl ZINC001236802242 1099795719 /nfs/dbraw/zinc/79/57/19/1099795719.db2.gz PZUHXKNAYVITPP-WCFLWFBJSA-N 1 2 311.809 3.054 20 10 DGCDLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)c(O)c1Cl ZINC001236805597 1099799242 /nfs/dbraw/zinc/79/92/42/1099799242.db2.gz AOXLHKZCLMJVPP-ZDUSSCGKSA-N 1 2 319.792 3.181 20 10 DGCDLO COc1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)c(O)c1Cl ZINC001236805597 1099799247 /nfs/dbraw/zinc/79/92/47/1099799247.db2.gz AOXLHKZCLMJVPP-ZDUSSCGKSA-N 1 2 319.792 3.181 20 10 DGCDLO CN1CC[N@H+](Cc2c(O)ccc(F)c2Cl)Cc2cccnc21 ZINC001237125706 1099985044 /nfs/dbraw/zinc/98/50/44/1099985044.db2.gz UOHYRPCULBRZKL-UHFFFAOYSA-N 1 2 321.783 3.032 20 10 DGCDLO CN1CC[N@@H+](Cc2c(O)ccc(F)c2Cl)Cc2cccnc21 ZINC001237125706 1099985057 /nfs/dbraw/zinc/98/50/57/1099985057.db2.gz UOHYRPCULBRZKL-UHFFFAOYSA-N 1 2 321.783 3.032 20 10 DGCDLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237139030 1099990605 /nfs/dbraw/zinc/99/06/05/1099990605.db2.gz BMVUSGDUVFSNAX-ZDUSSCGKSA-N 1 2 301.308 3.355 20 10 DGCDLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)ccc1O ZINC001237139030 1099990619 /nfs/dbraw/zinc/99/06/19/1099990619.db2.gz BMVUSGDUVFSNAX-ZDUSSCGKSA-N 1 2 301.308 3.355 20 10 DGCDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000691680196 1100026505 /nfs/dbraw/zinc/02/65/05/1100026505.db2.gz UDOBWZRUXYYTMU-GWCFXTLKSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(Br)cc1O ZINC000691680196 1100026512 /nfs/dbraw/zinc/02/65/12/1100026512.db2.gz UDOBWZRUXYYTMU-GWCFXTLKSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000691680199 1100027724 /nfs/dbraw/zinc/02/77/24/1100027724.db2.gz UDOBWZRUXYYTMU-MFKMUULPSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(Br)cc1O ZINC000691680199 1100027731 /nfs/dbraw/zinc/02/77/31/1100027731.db2.gz UDOBWZRUXYYTMU-MFKMUULPSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(Br)cc1O ZINC000691680202 1100029844 /nfs/dbraw/zinc/02/98/44/1100029844.db2.gz UDOBWZRUXYYTMU-ZWNOBZJWSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(Br)cc1O ZINC000691680202 1100029848 /nfs/dbraw/zinc/02/98/48/1100029848.db2.gz UDOBWZRUXYYTMU-ZWNOBZJWSA-N 1 2 314.223 3.154 20 10 DGCDLO Cc1cccc(O)c1CN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001237495726 1100145842 /nfs/dbraw/zinc/14/58/42/1100145842.db2.gz UWERWZTVTYHCAN-KRWDZBQOSA-N 1 2 324.415 3.396 20 10 DGCDLO CCN(CC[NH+](CC)CC)Cc1cc(Cl)cc(F)c1O ZINC001237619648 1100189248 /nfs/dbraw/zinc/18/92/48/1100189248.db2.gz BAHMGOMVWJVYSQ-UHFFFAOYSA-N 1 2 302.821 3.348 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001237622472 1100191668 /nfs/dbraw/zinc/19/16/68/1100191668.db2.gz SEBPQUQWHBUMJS-LBPRGKRZSA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001237622472 1100191672 /nfs/dbraw/zinc/19/16/72/1100191672.db2.gz SEBPQUQWHBUMJS-LBPRGKRZSA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001237621607 1100191735 /nfs/dbraw/zinc/19/17/35/1100191735.db2.gz CWSIAYVBHGEMBP-GFCCVEGCSA-N 1 2 317.763 3.278 20 10 DGCDLO CCC[N@H+](CC)Cc1cccc(I)c1O ZINC001237782754 1100246162 /nfs/dbraw/zinc/24/61/62/1100246162.db2.gz GYBMMRRJODSWDA-UHFFFAOYSA-N 1 2 319.186 3.229 20 10 DGCDLO CCC[N@@H+](CC)Cc1cccc(I)c1O ZINC001237782754 1100246169 /nfs/dbraw/zinc/24/61/69/1100246169.db2.gz GYBMMRRJODSWDA-UHFFFAOYSA-N 1 2 319.186 3.229 20 10 DGCDLO OCc1ccc2c(c1)CC[N@@H+](Cc1cc(F)c(Cl)cc1O)C2 ZINC001237934632 1100297434 /nfs/dbraw/zinc/29/74/34/1100297434.db2.gz LTTJHJOKGSPCRZ-UHFFFAOYSA-N 1 2 321.779 3.235 20 10 DGCDLO OCc1ccc2c(c1)CC[N@H+](Cc1cc(F)c(Cl)cc1O)C2 ZINC001237934632 1100297439 /nfs/dbraw/zinc/29/74/39/1100297439.db2.gz LTTJHJOKGSPCRZ-UHFFFAOYSA-N 1 2 321.779 3.235 20 10 DGCDLO Cc1cc(F)cc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1O ZINC001238062930 1100345457 /nfs/dbraw/zinc/34/54/57/1100345457.db2.gz UVSLOOWMVMTJJH-GOSISDBHSA-N 1 2 314.404 3.328 20 10 DGCDLO Cc1cc(F)cc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1O ZINC001238062930 1100345464 /nfs/dbraw/zinc/34/54/64/1100345464.db2.gz UVSLOOWMVMTJJH-GOSISDBHSA-N 1 2 314.404 3.328 20 10 DGCDLO COC(=O)c1cc2ccc(-c3ccc4[nH+]ccn4c3)cc2n1C ZINC001240219144 1100899657 /nfs/dbraw/zinc/89/96/57/1100899657.db2.gz CABWTSDNNGKGDF-UHFFFAOYSA-N 1 2 305.337 3.280 20 10 DGCDLO Cc1cc(N)[nH+]cc1-c1ncnc2c1ccn2Cc1ccccc1 ZINC001242073151 1101893217 /nfs/dbraw/zinc/89/32/17/1101893217.db2.gz ZHYGYFJDAODFSG-UHFFFAOYSA-N 1 2 315.380 3.432 20 10 DGCDLO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1(C)C ZINC001201657077 1102687756 /nfs/dbraw/zinc/68/77/56/1102687756.db2.gz URLFXIFNVFOHOA-ULCPSODYSA-N 1 2 301.789 3.334 20 10 DGCDLO FC1(F)CCCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495583 1103165181 /nfs/dbraw/zinc/16/51/81/1103165181.db2.gz YZVJQULXIMWITF-UHFFFAOYSA-N 1 2 310.388 3.144 20 10 DGCDLO FC1(F)CCCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495583 1103165189 /nfs/dbraw/zinc/16/51/89/1103165189.db2.gz YZVJQULXIMWITF-UHFFFAOYSA-N 1 2 310.388 3.144 20 10 DGCDLO Nc1ccc(Cc2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cc1 ZINC001248184078 1105063053 /nfs/dbraw/zinc/06/30/53/1105063053.db2.gz MRSXMPAJGKZVSZ-UHFFFAOYSA-N 1 2 317.352 3.095 20 10 DGCDLO CN1CCC[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)CC1=O ZINC001248883202 1105185678 /nfs/dbraw/zinc/18/56/78/1105185678.db2.gz AIWKFXWFEAMPTN-UHFFFAOYSA-N 1 2 324.852 3.007 20 10 DGCDLO CN1CCC[N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)CC1=O ZINC001248883202 1105185680 /nfs/dbraw/zinc/18/56/80/1105185680.db2.gz AIWKFXWFEAMPTN-UHFFFAOYSA-N 1 2 324.852 3.007 20 10 DGCDLO CN(C)c1ccc(-c2[nH]c3ccc(N4CCOCC4)cc3[nH+]2)cc1 ZINC001250468527 1105519302 /nfs/dbraw/zinc/51/93/02/1105519302.db2.gz AZYCEJOZNUSGCH-UHFFFAOYSA-N 1 2 322.412 3.133 20 10 DGCDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1O ZINC001302530687 1111117253 /nfs/dbraw/zinc/11/72/53/1111117253.db2.gz WHXKANLCIIZCQH-CYBMUJFWSA-N 1 2 307.353 3.069 20 10 DGCDLO CCc1c[nH]c2nc[nH+]c(NCc3cccc(Cl)c3O)c12 ZINC001307229952 1111281903 /nfs/dbraw/zinc/28/19/03/1111281903.db2.gz OGBYTDQLQFQXIB-UHFFFAOYSA-N 1 2 302.765 3.491 20 10 DGCDLO COc1cc(C[N@H+](Cc2ccco2)Cc2ccccc2O)on1 ZINC001307565535 1111315241 /nfs/dbraw/zinc/31/52/41/1111315241.db2.gz AOESRSSLPSXATE-UHFFFAOYSA-N 1 2 314.341 3.184 20 10 DGCDLO COc1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)on1 ZINC001307565535 1111315243 /nfs/dbraw/zinc/31/52/43/1111315243.db2.gz AOESRSSLPSXATE-UHFFFAOYSA-N 1 2 314.341 3.184 20 10 DGCDLO CCCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179699418 432068222 /nfs/dbraw/zinc/06/82/22/432068222.db2.gz PJMKCDSFEZSDTA-UHFFFAOYSA-N 1 2 324.852 3.174 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1ccc(F)c(F)c1O ZINC000290157010 299344550 /nfs/dbraw/zinc/34/45/50/299344550.db2.gz DARSAOLTIPTFHH-MMPTUQATSA-N 1 2 307.340 3.443 20 10 DGCDLO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1O ZINC000282220518 296119936 /nfs/dbraw/zinc/11/99/36/296119936.db2.gz HYEIPHBZNAWEJH-LILOVNGRSA-N 1 2 322.257 3.261 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1O ZINC000278479058 296132608 /nfs/dbraw/zinc/13/26/08/296132608.db2.gz OOZFMGWXYZYGDI-DGCLKSJQSA-N 1 2 310.388 3.338 20 10 DGCDLO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000093482717 193258176 /nfs/dbraw/zinc/25/81/76/193258176.db2.gz SLONEWKVEHVKPV-JOYOIKCWSA-N 1 2 304.217 3.434 20 10 DGCDLO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000093482717 193258177 /nfs/dbraw/zinc/25/81/77/193258177.db2.gz SLONEWKVEHVKPV-JOYOIKCWSA-N 1 2 304.217 3.434 20 10 DGCDLO C[C@@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)c1ncnn1C ZINC000278387446 296158322 /nfs/dbraw/zinc/15/83/22/296158322.db2.gz DKYPTLCKWUYJIG-HTQZYQBOSA-N 1 2 315.204 3.239 20 10 DGCDLO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000189410800 284302597 /nfs/dbraw/zinc/30/25/97/284302597.db2.gz LCSPVNVMRFMKGY-RKDXNWHRSA-N 1 2 319.232 3.216 20 10 DGCDLO COCc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273299368 130105525 /nfs/dbraw/zinc/10/55/25/130105525.db2.gz AYJQQIGAMLNOAE-LBPRGKRZSA-N 1 2 316.357 3.298 20 10 DGCDLO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000285660374 131190892 /nfs/dbraw/zinc/19/08/92/131190892.db2.gz ZAZCSHQZJIAJPC-NXEZZACHSA-N 1 2 304.217 3.461 20 10 DGCDLO Cc1cc[nH+]c(C)c1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000287640178 131292327 /nfs/dbraw/zinc/29/23/27/131292327.db2.gz VRQJXNLVNVRBBY-UHFFFAOYSA-N 1 2 316.380 3.225 20 10 DGCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(C)c2O)no1 ZINC000289589506 131399009 /nfs/dbraw/zinc/39/90/09/131399009.db2.gz AVHMGVBWGAPIRO-QWHCGFSZSA-N 1 2 319.405 3.340 20 10 DGCDLO CO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000273363683 286011860 /nfs/dbraw/zinc/01/18/60/286011860.db2.gz DKNZAFLFKAKLSH-YVEFUNNKSA-N 1 2 316.357 3.339 20 10 DGCDLO COc1cc(F)cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273459252 286226215 /nfs/dbraw/zinc/22/62/15/286226215.db2.gz HSXGBFGYDUWUKM-JTQLQIEISA-N 1 2 320.320 3.299 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000179849736 228353617 /nfs/dbraw/zinc/35/36/17/228353617.db2.gz XMPYUTNUVNJVNL-UHFFFAOYSA-N 1 2 323.849 3.214 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000179849736 228353619 /nfs/dbraw/zinc/35/36/19/228353619.db2.gz XMPYUTNUVNJVNL-UHFFFAOYSA-N 1 2 323.849 3.214 20 10 DGCDLO C[C@](O)(C[NH2+]Cc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000270478139 432250171 /nfs/dbraw/zinc/25/01/71/432250171.db2.gz IXLABJLYTCXTNO-JTQLQIEISA-N 1 2 318.122 3.102 20 10 DGCDLO CC[C@H]([NH2+]CCC(=O)N(C)C)c1cc(Cl)cc(Cl)c1O ZINC000287882889 288038522 /nfs/dbraw/zinc/03/85/22/288038522.db2.gz YNXWJXYMIOEXPG-LBPRGKRZSA-N 1 2 319.232 3.218 20 10 DGCDLO CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCO1)c1cccc(Cl)c1O ZINC000286972014 288063762 /nfs/dbraw/zinc/06/37/62/288063762.db2.gz IMJVGBIAAUGUTI-SOUVJXGZSA-N 1 2 313.825 3.280 20 10 DGCDLO CN(C)c1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000110117550 431183325 /nfs/dbraw/zinc/18/33/25/431183325.db2.gz ZVAKZMPNRLHOEJ-UHFFFAOYSA-N 1 2 311.433 3.145 20 10 DGCDLO CN(C)c1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000110117550 431183332 /nfs/dbraw/zinc/18/33/32/431183332.db2.gz ZVAKZMPNRLHOEJ-UHFFFAOYSA-N 1 2 311.433 3.145 20 10 DGCDLO Cn1cc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2O)cn1 ZINC000119699763 431713203 /nfs/dbraw/zinc/71/32/03/431713203.db2.gz BCGYGAFLIPXWCH-UHFFFAOYSA-N 1 2 300.189 3.065 20 10 DGCDLO Cn1cc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2O)cn1 ZINC000119699763 431713205 /nfs/dbraw/zinc/71/32/05/431713205.db2.gz BCGYGAFLIPXWCH-UHFFFAOYSA-N 1 2 300.189 3.065 20 10 DGCDLO C[N@H+](Cc1cscn1)Cc1cc(Br)ccc1O ZINC000120195899 431725340 /nfs/dbraw/zinc/72/53/40/431725340.db2.gz PZUCJQNETZWXGW-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO C[N@@H+](Cc1cscn1)Cc1cc(Br)ccc1O ZINC000120195899 431725344 /nfs/dbraw/zinc/72/53/44/431725344.db2.gz PZUCJQNETZWXGW-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000271195529 432351683 /nfs/dbraw/zinc/35/16/83/432351683.db2.gz NIRJHIIQGXVDPY-MCFFVMPBSA-N 1 2 320.502 3.018 20 10 DGCDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000271195529 432351686 /nfs/dbraw/zinc/35/16/86/432351686.db2.gz NIRJHIIQGXVDPY-MCFFVMPBSA-N 1 2 320.502 3.018 20 10 DGCDLO C[C@](O)(C[NH2+]Cc1cc(Cl)cc(Cl)c1O)c1ccco1 ZINC000174532393 432354093 /nfs/dbraw/zinc/35/40/93/432354093.db2.gz KRPCTVAKKFCLOQ-AWEZNQCLSA-N 1 2 316.184 3.289 20 10 DGCDLO Cc1cc([C@](C)(O)C[NH2+]Cc2cccc(Cl)c2O)c(C)o1 ZINC000271871313 432426407 /nfs/dbraw/zinc/42/64/07/432426407.db2.gz XTDPQQIUSRKMOY-MRXNPFEDSA-N 1 2 309.793 3.253 20 10 DGCDLO COCC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000273409203 432595622 /nfs/dbraw/zinc/59/56/22/432595622.db2.gz HMLVJEMAQVGPDV-SMDDNHRTSA-N 1 2 320.345 3.322 20 10 DGCDLO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187748103 432681778 /nfs/dbraw/zinc/68/17/78/432681778.db2.gz IPZQRMZOZMTSEF-WCQYABFASA-N 1 2 307.340 3.097 20 10 DGCDLO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1O ZINC000276901120 432827078 /nfs/dbraw/zinc/82/70/78/432827078.db2.gz JBMBRIBERQDIAX-LKFCYVNXSA-N 1 2 311.303 3.194 20 10 DGCDLO C[C@H]([NH2+]Cc1cn2c(n1)CCCC2)c1ccc(F)c(F)c1O ZINC000276957873 432828230 /nfs/dbraw/zinc/82/82/30/432828230.db2.gz RLDNQDPPNULZJJ-JTQLQIEISA-N 1 2 307.344 3.054 20 10 DGCDLO CCN1C(=O)/C(=C/c2ccc(N(C)C(C)C)[nH+]c2)SC1=S ZINC000276523939 432815530 /nfs/dbraw/zinc/81/55/30/432815530.db2.gz BHEMQRQBQFDOED-WQLSENKSSA-N 1 2 321.471 3.147 20 10 DGCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](CC)c2ccc(F)cc2O)no1 ZINC000290034573 432982402 /nfs/dbraw/zinc/98/24/02/432982402.db2.gz DCQVDKYKMDZPJG-ZWNOBZJWSA-N 1 2 323.368 3.253 20 10 DGCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)no1 ZINC000290113705 432994449 /nfs/dbraw/zinc/99/44/49/432994449.db2.gz IWZZQKZJWYZALU-NWDGAFQWSA-N 1 2 305.378 3.032 20 10 DGCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](CC)c2ccccc2O)no1 ZINC000290140796 433000677 /nfs/dbraw/zinc/00/06/77/433000677.db2.gz KQIUWMQZFADWPY-DGCLKSJQSA-N 1 2 305.378 3.114 20 10 DGCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](CC)c2ccc(C)cc2O)no1 ZINC000290183162 433009440 /nfs/dbraw/zinc/00/94/40/433009440.db2.gz NSGXJGGFGNQJBD-OCCSQVGLSA-N 1 2 319.405 3.422 20 10 DGCDLO COc1ccc(C[NH2+][C@@H](C)c2noc(COC(C)C)n2)cc1C ZINC000290838463 433186980 /nfs/dbraw/zinc/18/69/80/433186980.db2.gz ICEYVHUEIAWLLQ-ZDUSSCGKSA-N 1 2 319.405 3.162 20 10 DGCDLO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000291302201 433232315 /nfs/dbraw/zinc/23/23/15/433232315.db2.gz QRUWOLBLHVGZRF-GOSISDBHSA-N 1 2 317.816 3.182 20 10 DGCDLO OC[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000291302201 433232320 /nfs/dbraw/zinc/23/23/20/433232320.db2.gz QRUWOLBLHVGZRF-GOSISDBHSA-N 1 2 317.816 3.182 20 10 DGCDLO OC[C@]1(c2ccccc2)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000291302203 433234257 /nfs/dbraw/zinc/23/42/57/433234257.db2.gz QRUWOLBLHVGZRF-SFHVURJKSA-N 1 2 317.816 3.182 20 10 DGCDLO OC[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000291302203 433234262 /nfs/dbraw/zinc/23/42/62/433234262.db2.gz QRUWOLBLHVGZRF-SFHVURJKSA-N 1 2 317.816 3.182 20 10 DGCDLO C[N@@H+]1CC[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)[C@@H]2C1 ZINC000272589080 290232436 /nfs/dbraw/zinc/23/24/36/290232436.db2.gz HQLLOZACRFTKTM-IINYFYTJSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@H+]1CC[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)[C@@H]2C1 ZINC000272589080 290232439 /nfs/dbraw/zinc/23/24/39/290232439.db2.gz HQLLOZACRFTKTM-IINYFYTJSA-N 1 2 315.244 3.225 20 10 DGCDLO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000282978241 433643367 /nfs/dbraw/zinc/64/33/67/433643367.db2.gz JBCDKNDBTDIGPT-MRXNPFEDSA-N 1 2 305.805 3.486 20 10 DGCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCc2c(OC(F)F)cccc21 ZINC000294147712 434016126 /nfs/dbraw/zinc/01/61/26/434016126.db2.gz MDHWPNDEGHRLLG-VOTSOKGWSA-N 1 2 319.311 3.004 20 10 DGCDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000378444362 434183799 /nfs/dbraw/zinc/18/37/99/434183799.db2.gz PTBDVKOYPWOYJW-HNNXBMFYSA-N 1 2 305.809 3.425 20 10 DGCDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000378444362 434183808 /nfs/dbraw/zinc/18/38/08/434183808.db2.gz PTBDVKOYPWOYJW-HNNXBMFYSA-N 1 2 305.809 3.425 20 10 DGCDLO CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2cccc(Cl)c2O)C1 ZINC000287771637 434447631 /nfs/dbraw/zinc/44/76/31/434447631.db2.gz RNLWAGYBGULVSC-FZMZJTMJSA-N 1 2 310.825 3.097 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000369462729 434596197 /nfs/dbraw/zinc/59/61/97/434596197.db2.gz MAXNBPVTYRUQSL-CQSZACIVSA-N 1 2 304.777 3.094 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000369462729 434596201 /nfs/dbraw/zinc/59/62/01/434596201.db2.gz MAXNBPVTYRUQSL-CQSZACIVSA-N 1 2 304.777 3.094 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000371373602 434682847 /nfs/dbraw/zinc/68/28/47/434682847.db2.gz NMKGJSSICVYZIC-INIZCTEOSA-N 1 2 300.406 3.253 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000371373602 434682854 /nfs/dbraw/zinc/68/28/54/434682854.db2.gz NMKGJSSICVYZIC-INIZCTEOSA-N 1 2 300.406 3.253 20 10 DGCDLO COCCC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000529637985 435038273 /nfs/dbraw/zinc/03/82/73/435038273.db2.gz KUGFWMDUXXBNEO-UHFFFAOYSA-N 1 2 301.789 3.433 20 10 DGCDLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1cccc(Br)c1 ZINC000492760453 435044972 /nfs/dbraw/zinc/04/49/72/435044972.db2.gz CNTLNQRPKZFPGV-VOTSOKGWSA-N 1 2 320.190 3.239 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c1O ZINC000184701254 533953089 /nfs/dbraw/zinc/95/30/89/533953089.db2.gz VQAXAQSHMNTXOX-HNNXBMFYSA-N 1 2 323.776 3.221 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3ccco3)C2)c1O ZINC000184701254 533953094 /nfs/dbraw/zinc/95/30/94/533953094.db2.gz VQAXAQSHMNTXOX-HNNXBMFYSA-N 1 2 323.776 3.221 20 10 DGCDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cccc(Cl)c1O ZINC000180503428 523277743 /nfs/dbraw/zinc/27/77/43/523277743.db2.gz DNMSKUYSJSQCEE-OAQYLSRUSA-N 1 2 323.845 3.415 20 10 DGCDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cccc(Cl)c1O ZINC000180503428 523277748 /nfs/dbraw/zinc/27/77/48/523277748.db2.gz DNMSKUYSJSQCEE-OAQYLSRUSA-N 1 2 323.845 3.415 20 10 DGCDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cs1 ZINC000267598878 523915720 /nfs/dbraw/zinc/91/57/20/523915720.db2.gz DBUCYGHQZFFBCE-LLVKDONJSA-N 1 2 323.437 3.345 20 10 DGCDLO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191212927 524742376 /nfs/dbraw/zinc/74/23/76/524742376.db2.gz PYANCCHYUOZAHV-HZMBPMFUSA-N 1 2 323.339 3.063 20 10 DGCDLO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(F)c(F)c1O ZINC000191212782 525407819 /nfs/dbraw/zinc/40/78/19/525407819.db2.gz FNOLIBIMLKDDMQ-XPTSAGLGSA-N 1 2 311.303 3.194 20 10 DGCDLO COc1ccc([NH+]2CCC(NC(=O)C3(C)CCCC3)CC2)cc1 ZINC000730968604 574539651 /nfs/dbraw/zinc/53/96/51/574539651.db2.gz NSSIFLZKTMHJKJ-UHFFFAOYSA-N 1 2 316.445 3.361 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000731856185 574560408 /nfs/dbraw/zinc/56/04/08/574560408.db2.gz LTZFJIJWNRGSGZ-UHFFFAOYSA-N 1 2 308.385 3.089 20 10 DGCDLO C[NH+](C)[C@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1Cl ZINC000732257025 574570178 /nfs/dbraw/zinc/57/01/78/574570178.db2.gz BPKRCYIALDLRRH-CYBMUJFWSA-N 1 2 324.833 3.140 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)c2nc(C)no2)cc1 ZINC000738299314 574864997 /nfs/dbraw/zinc/86/49/97/574864997.db2.gz NNKWIEGXEFFXFU-CYBMUJFWSA-N 1 2 302.422 3.417 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)c2nc(C)no2)cc1 ZINC000738299314 574864999 /nfs/dbraw/zinc/86/49/99/574864999.db2.gz NNKWIEGXEFFXFU-CYBMUJFWSA-N 1 2 302.422 3.417 20 10 DGCDLO CCO[C@H](C)c1noc(C[N@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000743370449 575047726 /nfs/dbraw/zinc/04/77/26/575047726.db2.gz DLYYSCMCMQAZBJ-CYBMUJFWSA-N 1 2 319.405 3.122 20 10 DGCDLO CCO[C@H](C)c1noc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000743370449 575047728 /nfs/dbraw/zinc/04/77/28/575047728.db2.gz DLYYSCMCMQAZBJ-CYBMUJFWSA-N 1 2 319.405 3.122 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@H](C(F)(F)F)O1 ZINC000744445454 575343047 /nfs/dbraw/zinc/34/30/47/575343047.db2.gz VSNUVRIRHMXFDV-MEBBXXQBSA-N 1 2 315.335 3.033 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@H](C(F)(F)F)O1 ZINC000744445454 575343049 /nfs/dbraw/zinc/34/30/49/575343049.db2.gz VSNUVRIRHMXFDV-MEBBXXQBSA-N 1 2 315.335 3.033 20 10 DGCDLO Oc1c(Br)cccc1C[NH+]1CC(CC(F)F)C1 ZINC000822520531 628460608 /nfs/dbraw/zinc/46/06/08/628460608.db2.gz FEAGYFHLTFTCPF-UHFFFAOYSA-N 1 2 306.150 3.242 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H](CC(F)(F)F)O1 ZINC000852741116 620644626 /nfs/dbraw/zinc/64/46/26/620644626.db2.gz FPWMMPDSKIOZMH-DOMZBBRYSA-N 1 2 316.367 3.294 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H](CC(F)(F)F)O1 ZINC000852741116 620644628 /nfs/dbraw/zinc/64/46/28/620644628.db2.gz FPWMMPDSKIOZMH-DOMZBBRYSA-N 1 2 316.367 3.294 20 10 DGCDLO C[N@H+](Cc1csc(C(F)(F)F)n1)Cc1ccccc1O ZINC000891713477 617877271 /nfs/dbraw/zinc/87/72/71/617877271.db2.gz FZAPDGSNCKNGLC-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO C[N@@H+](Cc1csc(C(F)(F)F)n1)Cc1ccccc1O ZINC000891713477 617877275 /nfs/dbraw/zinc/87/72/75/617877275.db2.gz FZAPDGSNCKNGLC-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000894983703 618507337 /nfs/dbraw/zinc/50/73/37/618507337.db2.gz GEZSYBAQEAWTAH-GOEBONIOSA-N 1 2 311.372 3.043 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000894983703 618507340 /nfs/dbraw/zinc/50/73/40/618507340.db2.gz GEZSYBAQEAWTAH-GOEBONIOSA-N 1 2 311.372 3.043 20 10 DGCDLO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H](C)[N@H+]1C ZINC000141902782 618555959 /nfs/dbraw/zinc/55/59/59/618555959.db2.gz PNQIGIDECXNPLX-AOOOYVTPSA-N 1 2 303.233 3.223 20 10 DGCDLO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H](C)[N@@H+]1C ZINC000141902782 618555962 /nfs/dbraw/zinc/55/59/62/618555962.db2.gz PNQIGIDECXNPLX-AOOOYVTPSA-N 1 2 303.233 3.223 20 10 DGCDLO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cccc(Cl)c3O)C2)n1 ZINC000897046448 619006243 /nfs/dbraw/zinc/00/62/43/619006243.db2.gz ZEZLPBXOFIHSKW-JQWIXIFHSA-N 1 2 321.808 3.417 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000897083338 619012328 /nfs/dbraw/zinc/01/23/28/619012328.db2.gz XVYSDTXSIOIHAR-ABAIWWIYSA-N 1 2 313.800 3.480 20 10 DGCDLO Cc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000898220090 619222964 /nfs/dbraw/zinc/22/29/64/619222964.db2.gz UJCUPTMWXUHTJQ-UHFFFAOYSA-N 1 2 300.189 3.031 20 10 DGCDLO C[C@H]([NH2+][C@H](CO)CCc1ccccc1)c1cc(F)cc(F)c1O ZINC000903288539 619754804 /nfs/dbraw/zinc/75/48/04/619754804.db2.gz CUOBGAGPDSYWJP-WFASDCNBSA-N 1 2 321.367 3.315 20 10 DGCDLO CN(C)c1ccc(C[N@H+](Cc2cn(C)nc2Cl)C2CC2)cc1 ZINC000857012924 621044087 /nfs/dbraw/zinc/04/40/87/621044087.db2.gz YXXXLNMEFWTOPK-UHFFFAOYSA-N 1 2 318.852 3.304 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](Cc2cn(C)nc2Cl)C2CC2)cc1 ZINC000857012924 621044089 /nfs/dbraw/zinc/04/40/89/621044089.db2.gz YXXXLNMEFWTOPK-UHFFFAOYSA-N 1 2 318.852 3.304 20 10 DGCDLO [NH3+][C@]12CCC[C@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC000857226189 621071399 /nfs/dbraw/zinc/07/13/99/621071399.db2.gz HEZVXNRECLIZAQ-HZMBPMFUSA-N 1 2 301.217 3.012 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000857989830 621141236 /nfs/dbraw/zinc/14/12/36/621141236.db2.gz PVOVPQYCIDYFCC-KRWDZBQOSA-N 1 2 320.396 3.165 20 10 DGCDLO C[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)c2nccn21 ZINC000858172486 621161037 /nfs/dbraw/zinc/16/10/37/621161037.db2.gz WGBROZUXFMPELF-CABZTGNLSA-N 1 2 322.206 3.147 20 10 DGCDLO CO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2O)C1 ZINC000858584104 621207349 /nfs/dbraw/zinc/20/73/49/621207349.db2.gz MFVVBBJIJWFBHV-IWSPIJDZSA-N 1 2 318.186 3.122 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)c2nnc(C)[nH]2)cc1 ZINC000839459600 621378362 /nfs/dbraw/zinc/37/83/62/621378362.db2.gz OSSQCVKCJMTEDK-CYBMUJFWSA-N 1 2 301.438 3.152 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)c2nnc(C)[nH]2)cc1 ZINC000839459600 621378367 /nfs/dbraw/zinc/37/83/67/621378367.db2.gz OSSQCVKCJMTEDK-CYBMUJFWSA-N 1 2 301.438 3.152 20 10 DGCDLO CC[N@H+](CC1CCC2(CC1)OCCO2)c1ccc(OC)cc1 ZINC000753737480 621462462 /nfs/dbraw/zinc/46/24/62/621462462.db2.gz GRGYAKQACZDOLF-UHFFFAOYSA-N 1 2 305.418 3.455 20 10 DGCDLO CC[N@@H+](CC1CCC2(CC1)OCCO2)c1ccc(OC)cc1 ZINC000753737480 621462463 /nfs/dbraw/zinc/46/24/63/621462463.db2.gz GRGYAKQACZDOLF-UHFFFAOYSA-N 1 2 305.418 3.455 20 10 DGCDLO COCC[N@H+](Cc1ccco1)Cc1cc(F)c(N(C)C)cc1F ZINC000862224314 621563386 /nfs/dbraw/zinc/56/33/86/621563386.db2.gz PLMSTZVXRBZTKB-UHFFFAOYSA-N 1 2 324.371 3.272 20 10 DGCDLO COCC[N@@H+](Cc1ccco1)Cc1cc(F)c(N(C)C)cc1F ZINC000862224314 621563388 /nfs/dbraw/zinc/56/33/88/621563388.db2.gz PLMSTZVXRBZTKB-UHFFFAOYSA-N 1 2 324.371 3.272 20 10 DGCDLO Cc1cccc(C[N@@H+](C)Cc2c(O)cccc2Br)n1 ZINC000862247809 621567253 /nfs/dbraw/zinc/56/72/53/621567253.db2.gz CSKMWHLIGFFJPM-UHFFFAOYSA-N 1 2 321.218 3.490 20 10 DGCDLO Cc1cccc(C[N@H+](C)Cc2c(O)cccc2Br)n1 ZINC000862247809 621567255 /nfs/dbraw/zinc/56/72/55/621567255.db2.gz CSKMWHLIGFFJPM-UHFFFAOYSA-N 1 2 321.218 3.490 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000862468860 621592927 /nfs/dbraw/zinc/59/29/27/621592927.db2.gz QIWXEDKWRNSMGJ-NSHDSACASA-N 1 2 322.758 3.004 20 10 DGCDLO CC(C)C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N(C)C ZINC000756400004 621635588 /nfs/dbraw/zinc/63/55/88/621635588.db2.gz SMDNPDMJRKSLTI-WCQYABFASA-N 1 2 300.393 3.297 20 10 DGCDLO COC[C@@H](C)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756464873 621640034 /nfs/dbraw/zinc/64/00/34/621640034.db2.gz IATSZCWWORVZES-IUCAKERBSA-N 1 2 320.202 3.227 20 10 DGCDLO C[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1cc(F)cc(F)c1O ZINC000756504027 621642948 /nfs/dbraw/zinc/64/29/48/621642948.db2.gz OPZGFTBMIGOZHY-QWHCGFSZSA-N 1 2 312.404 3.441 20 10 DGCDLO COCC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756528744 621645481 /nfs/dbraw/zinc/64/54/81/621645481.db2.gz WOVKGYLXFVFGGF-BDAKNGLRSA-N 1 2 320.202 3.369 20 10 DGCDLO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756624905 621653736 /nfs/dbraw/zinc/65/37/36/621653736.db2.gz HGOFDJFZZMWOQJ-VXGBXAGGSA-N 1 2 301.377 3.366 20 10 DGCDLO Cc1ccc([C@H](C)Nc2ccc(N(C)CCO)c[nH+]2)c(O)c1C ZINC000756844524 621667502 /nfs/dbraw/zinc/66/75/02/621667502.db2.gz JTCJDRMPEAHYKV-AWEZNQCLSA-N 1 2 315.417 3.006 20 10 DGCDLO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000863544770 621682579 /nfs/dbraw/zinc/68/25/79/621682579.db2.gz AQHCDSIKWIQGHJ-BBBLOLIVSA-N 1 2 303.233 3.490 20 10 DGCDLO CCCN(Cc1ccccc1O)C(=O)Nc1cc(C)[nH+]cc1C ZINC000767939837 622429232 /nfs/dbraw/zinc/42/92/32/622429232.db2.gz UXQJNQHFUOOUJX-UHFFFAOYSA-N 1 2 313.401 3.270 20 10 DGCDLO CN(C(=O)C[N@H+](C)Cc1c(O)cccc1Cl)C1CCCCC1 ZINC000768303892 622449378 /nfs/dbraw/zinc/44/93/78/622449378.db2.gz UDVLCNBKOXRYNC-UHFFFAOYSA-N 1 2 324.852 3.269 20 10 DGCDLO CN(C(=O)C[N@@H+](C)Cc1c(O)cccc1Cl)C1CCCCC1 ZINC000768303892 622449381 /nfs/dbraw/zinc/44/93/81/622449381.db2.gz UDVLCNBKOXRYNC-UHFFFAOYSA-N 1 2 324.852 3.269 20 10 DGCDLO CCC(CC)C(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000768337127 622450506 /nfs/dbraw/zinc/45/05/06/622450506.db2.gz ATCBMEHTFDZGEH-UHFFFAOYSA-N 1 2 324.852 3.126 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872257818 622869514 /nfs/dbraw/zinc/86/95/14/622869514.db2.gz XYCXHHKURFXUDV-GFCCVEGCSA-N 1 2 309.715 3.041 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872257818 622869520 /nfs/dbraw/zinc/86/95/20/622869520.db2.gz XYCXHHKURFXUDV-GFCCVEGCSA-N 1 2 309.715 3.041 20 10 DGCDLO CCN(C)c1ccc(C[N@H+](C)Cc2nccn2C(F)F)cc1 ZINC000773732824 623064700 /nfs/dbraw/zinc/06/47/00/623064700.db2.gz SXJHKQSJSKWASA-UHFFFAOYSA-N 1 2 308.376 3.366 20 10 DGCDLO CCN(C)c1ccc(C[N@@H+](C)Cc2nccn2C(F)F)cc1 ZINC000773732824 623064706 /nfs/dbraw/zinc/06/47/06/623064706.db2.gz SXJHKQSJSKWASA-UHFFFAOYSA-N 1 2 308.376 3.366 20 10 DGCDLO Oc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(Cl)c1O)C2 ZINC000775173453 623237436 /nfs/dbraw/zinc/23/74/36/623237436.db2.gz RSTFQGWDEGLSRS-CQSZACIVSA-N 1 2 303.789 3.398 20 10 DGCDLO COCC[N@H+](Cc1ccco1)Cc1cc(Cl)cc(F)c1O ZINC000775656589 623306296 /nfs/dbraw/zinc/30/62/96/623306296.db2.gz KTBIRNWROYRYIJ-UHFFFAOYSA-N 1 2 313.756 3.426 20 10 DGCDLO COCC[N@@H+](Cc1ccco1)Cc1cc(Cl)cc(F)c1O ZINC000775656589 623306300 /nfs/dbraw/zinc/30/63/00/623306300.db2.gz KTBIRNWROYRYIJ-UHFFFAOYSA-N 1 2 313.756 3.426 20 10 DGCDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775732230 623321142 /nfs/dbraw/zinc/32/11/42/623321142.db2.gz MKDYLLBLHRJVML-CQSZACIVSA-N 1 2 323.799 3.428 20 10 DGCDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775732230 623321148 /nfs/dbraw/zinc/32/11/48/623321148.db2.gz MKDYLLBLHRJVML-CQSZACIVSA-N 1 2 323.799 3.428 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000775740319 623321712 /nfs/dbraw/zinc/32/17/12/623321712.db2.gz UOZUCRCNKUMEIE-VXGBXAGGSA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000775740319 623321718 /nfs/dbraw/zinc/32/17/18/623321718.db2.gz UOZUCRCNKUMEIE-VXGBXAGGSA-N 1 2 313.800 3.433 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1n1ccnc1 ZINC000775738245 623322178 /nfs/dbraw/zinc/32/21/78/623322178.db2.gz XFUNCAWPVZPHIU-IAQYHMDHSA-N 1 2 323.799 3.464 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1n1ccnc1 ZINC000775738245 623322181 /nfs/dbraw/zinc/32/21/81/623322181.db2.gz XFUNCAWPVZPHIU-IAQYHMDHSA-N 1 2 323.799 3.464 20 10 DGCDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000776004235 623363870 /nfs/dbraw/zinc/36/38/70/623363870.db2.gz ZUBSJACONAMFAD-YGRLFVJLSA-N 1 2 311.809 3.128 20 10 DGCDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000776004235 623363872 /nfs/dbraw/zinc/36/38/72/623363872.db2.gz ZUBSJACONAMFAD-YGRLFVJLSA-N 1 2 311.809 3.128 20 10 DGCDLO COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1O ZINC000776232430 623400240 /nfs/dbraw/zinc/40/02/40/623400240.db2.gz XNQNYZMUEUNFLA-HNNXBMFYSA-N 1 2 305.805 3.393 20 10 DGCDLO COCC[N@H+](Cc1cccs1)Cc1ccc(F)c(F)c1O ZINC000876547236 623639683 /nfs/dbraw/zinc/63/96/83/623639683.db2.gz LWFLWEVURQASLQ-UHFFFAOYSA-N 1 2 313.369 3.381 20 10 DGCDLO Oc1c(CN2CCC([NH+]3CCCCC3)CC2)ccc(F)c1F ZINC000876560432 623644857 /nfs/dbraw/zinc/64/48/57/623644857.db2.gz DSCBZFWQTAJREQ-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO Cc1cccc(CN2CC[NH+](Cc3cc(F)ccc3O)CC2)c1 ZINC000778995087 623718574 /nfs/dbraw/zinc/71/85/74/623718574.db2.gz MSMOBXKTHRGGNZ-UHFFFAOYSA-N 1 2 314.404 3.158 20 10 DGCDLO C[C@@H]([NH2+]Cc1nc(C2CCC2)no1)c1ccc(N(C)C)cc1 ZINC000878454286 624282370 /nfs/dbraw/zinc/28/23/70/624282370.db2.gz AVOTXGADLPAPHE-GFCCVEGCSA-N 1 2 300.406 3.254 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)[C@H](C)[C@H](C)O1 ZINC000783738882 624390068 /nfs/dbraw/zinc/39/00/68/624390068.db2.gz YHKIJZVYMDOLOE-MXWKQRLJSA-N 1 2 314.223 3.152 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)[C@H](C)[C@H](C)O1 ZINC000783738882 624390066 /nfs/dbraw/zinc/39/00/66/624390066.db2.gz YHKIJZVYMDOLOE-MXWKQRLJSA-N 1 2 314.223 3.152 20 10 DGCDLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000785990108 624775386 /nfs/dbraw/zinc/77/53/86/624775386.db2.gz ZAUGHONHFSDMJY-BFVZDQMLSA-N 1 2 301.789 3.166 20 10 DGCDLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000785990108 624775389 /nfs/dbraw/zinc/77/53/89/624775389.db2.gz ZAUGHONHFSDMJY-BFVZDQMLSA-N 1 2 301.789 3.166 20 10 DGCDLO CO[C@@H](CC[NH2+]Cc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC000787416466 625008708 /nfs/dbraw/zinc/00/87/08/625008708.db2.gz DRMBUEPBDAQDTD-JTQLQIEISA-N 1 2 315.694 3.242 20 10 DGCDLO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790956134 625721609 /nfs/dbraw/zinc/72/16/09/625721609.db2.gz OHDKYFPGSCJGMT-VXGBXAGGSA-N 1 2 314.832 3.395 20 10 DGCDLO Cc1ccc2nc(C[NH2+]Cc3c(O)ccc(Cl)c3F)cn2c1 ZINC000790959077 625723039 /nfs/dbraw/zinc/72/30/39/625723039.db2.gz DTHLRFQRHACDMM-UHFFFAOYSA-N 1 2 319.767 3.431 20 10 DGCDLO COc1cccc2c1CC[C@@H]2[NH2+]Cc1cc(F)cc(F)c1O ZINC000883042342 625908226 /nfs/dbraw/zinc/90/82/26/625908226.db2.gz TZBNKZJFCWRRJU-HNNXBMFYSA-N 1 2 305.324 3.456 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](OC(F)F)C2)c1O ZINC000801989699 626428759 /nfs/dbraw/zinc/42/87/59/626428759.db2.gz ZYRRHEFNKNLLMV-NSHDSACASA-N 1 2 319.735 3.062 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](OC(F)F)C2)c1O ZINC000801989699 626428761 /nfs/dbraw/zinc/42/87/61/626428761.db2.gz ZYRRHEFNKNLLMV-NSHDSACASA-N 1 2 319.735 3.062 20 10 DGCDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(Br)ccc1O ZINC000131502739 626646109 /nfs/dbraw/zinc/64/61/09/626646109.db2.gz XANRBDOJSYMPJW-ZWNOBZJWSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1O ZINC000806130349 626700607 /nfs/dbraw/zinc/70/06/07/626700607.db2.gz WDEVCWNFCRQYPH-GJZGRUSLSA-N 1 2 318.804 3.313 20 10 DGCDLO CC[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cccc(Cl)c1O ZINC000806178947 626704903 /nfs/dbraw/zinc/70/49/03/626704903.db2.gz MEMXDYBZDIQUKW-XJKSGUPXSA-N 1 2 320.820 3.257 20 10 DGCDLO CCc1cc(C[N@H+](C)Cc2nncn2C)c(O)c(C(C)(C)C)c1 ZINC000808214746 626806128 /nfs/dbraw/zinc/80/61/28/626806128.db2.gz SXTDQURGGUCQJP-UHFFFAOYSA-N 1 2 316.449 3.013 20 10 DGCDLO CCc1cc(C[N@@H+](C)Cc2nncn2C)c(O)c(C(C)(C)C)c1 ZINC000808214746 626806131 /nfs/dbraw/zinc/80/61/31/626806131.db2.gz SXTDQURGGUCQJP-UHFFFAOYSA-N 1 2 316.449 3.013 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000809791964 626954391 /nfs/dbraw/zinc/95/43/91/626954391.db2.gz CWJXDLMMLBOAGL-CYBMUJFWSA-N 1 2 307.752 3.278 20 10 DGCDLO C[S@](=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000809793580 626955092 /nfs/dbraw/zinc/95/50/92/626955092.db2.gz HIAPGQHWHMBUGO-FQEVSTJZSA-N 1 2 309.818 3.073 20 10 DGCDLO C[C@H](O)[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccccc1F ZINC000886631618 627177131 /nfs/dbraw/zinc/17/71/31/627177131.db2.gz RHQGGIYCUAVXMW-DINDLPBHSA-N 1 2 307.340 3.443 20 10 DGCDLO Oc1ccc(Cl)cc1C[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000811509521 627284398 /nfs/dbraw/zinc/28/43/98/627284398.db2.gz STMQEGASCNFRKE-UHFFFAOYSA-N 1 2 324.207 3.402 20 10 DGCDLO CC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000813883301 627518705 /nfs/dbraw/zinc/51/87/05/627518705.db2.gz CCIPYUOIGDMHHN-CBAPKCEASA-N 1 2 322.630 3.230 20 10 DGCDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1ccc2ccccc2c1O ZINC000816499186 627797496 /nfs/dbraw/zinc/79/74/96/627797496.db2.gz IIVRHOWAJIWLPK-UHFFFAOYSA-N 1 2 301.386 3.319 20 10 DGCDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc2ccccc2c1O ZINC000816499186 627797497 /nfs/dbraw/zinc/79/74/97/627797497.db2.gz IIVRHOWAJIWLPK-UHFFFAOYSA-N 1 2 301.386 3.319 20 10 DGCDLO CCc1nc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cs1 ZINC000816547440 627805204 /nfs/dbraw/zinc/80/52/04/627805204.db2.gz WJOWTQCLBCGLFE-UHFFFAOYSA-N 1 2 300.786 3.493 20 10 DGCDLO Oc1cccc2c1C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C2 ZINC000816591748 627812389 /nfs/dbraw/zinc/81/23/89/627812389.db2.gz MXGSBJWFDAWWPH-LLVKDONJSA-N 1 2 307.752 3.147 20 10 DGCDLO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000816662740 627821728 /nfs/dbraw/zinc/82/17/28/627821728.db2.gz XCQWGBDHOKZWLE-INIZCTEOSA-N 1 2 315.816 3.415 20 10 DGCDLO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000816662740 627821731 /nfs/dbraw/zinc/82/17/31/627821731.db2.gz XCQWGBDHOKZWLE-INIZCTEOSA-N 1 2 315.816 3.415 20 10 DGCDLO CCCN1C[C@H](C[NH2+][C@@H](CC)c2cccc(Cl)c2O)CC1=O ZINC000817588999 627927320 /nfs/dbraw/zinc/92/73/20/627927320.db2.gz KQIBZEQHIDCJEZ-WFASDCNBSA-N 1 2 324.852 3.345 20 10 DGCDLO CC[NH2+]CC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817951576 627972219 /nfs/dbraw/zinc/97/22/19/627972219.db2.gz GTNFUYXCBYRQQL-MRVPVSSYSA-N 1 2 321.646 3.068 20 10 DGCDLO CC[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(C(F)(F)F)cc1O ZINC000817959689 627976283 /nfs/dbraw/zinc/97/62/83/627976283.db2.gz GIJGAACJWZEXRK-STQMWFEESA-N 1 2 302.340 3.189 20 10 DGCDLO CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817976357 627980787 /nfs/dbraw/zinc/98/07/87/627980787.db2.gz KOXWFRUSXMMIMK-KWBADKCTSA-N 1 2 321.223 3.440 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1ccc(C)s1)Cc1ccccc1O ZINC000822511583 628459403 /nfs/dbraw/zinc/45/94/03/628459403.db2.gz JLABOMNAHFHQPM-UHFFFAOYSA-N 1 2 319.426 3.327 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1ccc(C)s1)Cc1ccccc1O ZINC000822511583 628459406 /nfs/dbraw/zinc/45/94/06/628459406.db2.gz JLABOMNAHFHQPM-UHFFFAOYSA-N 1 2 319.426 3.327 20 10 DGCDLO CC(C)C[C@@H](C(=O)NCc1cc(Cl)ccc1O)n1cc[nH+]c1 ZINC000824212909 628637426 /nfs/dbraw/zinc/63/74/26/628637426.db2.gz BUVXTMGGPYAKPS-AWEZNQCLSA-N 1 2 321.808 3.146 20 10 DGCDLO C[N@H+](Cc1c(O)ccc(Cl)c1F)[C@@H](CO)c1ccccc1 ZINC000824696391 628684503 /nfs/dbraw/zinc/68/45/03/628684503.db2.gz MHCNTZVTEBXXHB-AWEZNQCLSA-N 1 2 309.768 3.350 20 10 DGCDLO C[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@@H](CO)c1ccccc1 ZINC000824696391 628684506 /nfs/dbraw/zinc/68/45/06/628684506.db2.gz MHCNTZVTEBXXHB-AWEZNQCLSA-N 1 2 309.768 3.350 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@H](C)[S@@]1=O ZINC000825886829 628807487 /nfs/dbraw/zinc/80/74/87/628807487.db2.gz QQVPFVHTYVVBCR-SCLGINMFSA-N 1 2 315.866 3.085 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)C[C@H](C)[S@@]1=O ZINC000825886829 628807490 /nfs/dbraw/zinc/80/74/90/628807490.db2.gz QQVPFVHTYVVBCR-SCLGINMFSA-N 1 2 315.866 3.085 20 10 DGCDLO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000827751354 628988525 /nfs/dbraw/zinc/98/85/25/628988525.db2.gz TXMJYQKVVMEWQK-XJKSGUPXSA-N 1 2 311.809 3.257 20 10 DGCDLO CC(C)C[C@@H](C(=O)N[C@H](C)c1ccccc1O)n1cc[nH+]c1 ZINC000827952303 629007098 /nfs/dbraw/zinc/00/70/98/629007098.db2.gz NBXKIDBRRDXXPH-HIFRSBDPSA-N 1 2 301.390 3.053 20 10 DGCDLO Cc1cc(C(=O)C[N@H+]2C[C@H](C)[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000830027956 629218718 /nfs/dbraw/zinc/21/87/18/629218718.db2.gz CRGQEIXIIMDCOA-AAEUAGOBSA-N 1 2 315.392 3.151 20 10 DGCDLO Cc1cc(C(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000830027956 629218720 /nfs/dbraw/zinc/21/87/20/629218720.db2.gz CRGQEIXIIMDCOA-AAEUAGOBSA-N 1 2 315.392 3.151 20 10 DGCDLO CC(C)[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000834737308 629770532 /nfs/dbraw/zinc/77/05/32/629770532.db2.gz NBORWRAPCCCXNB-XJKSGUPXSA-N 1 2 305.418 3.335 20 10 DGCDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)s1 ZINC000840721737 630352267 /nfs/dbraw/zinc/35/22/67/630352267.db2.gz WJXPCSQDIYGIOJ-NSHDSACASA-N 1 2 320.414 3.098 20 10 DGCDLO Cc1cc(O)c(C[NH+]2CCN(CC(F)(F)F)CC2)c(Cl)c1 ZINC000840909593 630376258 /nfs/dbraw/zinc/37/62/58/630376258.db2.gz JRGICMBBBIKAJD-UHFFFAOYSA-N 1 2 322.758 3.034 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000840915102 630376929 /nfs/dbraw/zinc/37/69/29/630376929.db2.gz KBPWHXDLNKRJMM-KRWDZBQOSA-N 1 2 300.402 3.228 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000840915102 630376931 /nfs/dbraw/zinc/37/69/31/630376931.db2.gz KBPWHXDLNKRJMM-KRWDZBQOSA-N 1 2 300.402 3.228 20 10 DGCDLO CCCC[C@H](C[NH3+])[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000841030759 630398161 /nfs/dbraw/zinc/39/81/61/630398161.db2.gz QKROSDLOAJVPMZ-GFCCVEGCSA-N 1 2 315.255 3.070 20 10 DGCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@]1(O)CCc2ccccc21 ZINC000843422912 630656322 /nfs/dbraw/zinc/65/63/22/630656322.db2.gz YNORCXJHXOQYRT-GOSISDBHSA-N 1 2 317.816 3.311 20 10 DGCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@]1(O)CCc2ccccc21 ZINC000843422912 630656324 /nfs/dbraw/zinc/65/63/24/630656324.db2.gz YNORCXJHXOQYRT-GOSISDBHSA-N 1 2 317.816 3.311 20 10 DGCDLO Cc1nnsc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000844306264 630717567 /nfs/dbraw/zinc/71/75/67/630717567.db2.gz HRTURGXIAZUMRM-UHFFFAOYSA-N 1 2 315.398 3.348 20 10 DGCDLO Cc1nnsc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000844306264 630717568 /nfs/dbraw/zinc/71/75/68/630717568.db2.gz HRTURGXIAZUMRM-UHFFFAOYSA-N 1 2 315.398 3.348 20 10 DGCDLO COc1cccc([C@@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C)c1O ZINC000846169193 631213170 /nfs/dbraw/zinc/21/31/70/631213170.db2.gz PZVFUVMQVLWECX-DOMZBBRYSA-N 1 2 309.406 3.028 20 10 DGCDLO CC[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cccc(Cl)c1O ZINC000846210741 631215196 /nfs/dbraw/zinc/21/51/96/631215196.db2.gz CWNBCNLBBPQUAF-GDBMZVCRSA-N 1 2 313.825 3.018 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848927256 631791306 /nfs/dbraw/zinc/79/13/06/631791306.db2.gz DHYZRIGEKSNBJK-LSDHHAIUSA-N 1 2 312.816 3.291 20 10 DGCDLO Cc1ccc(O)c([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)c1 ZINC000186250942 660354648 /nfs/dbraw/zinc/35/46/48/660354648.db2.gz LVBJJMBYPKXGKI-CQSZACIVSA-N 1 2 313.401 3.105 20 10 DGCDLO CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708098245 660918019 /nfs/dbraw/zinc/91/80/19/660918019.db2.gz FWZRNTKTHYSANU-GFCCVEGCSA-N 1 2 322.630 3.059 20 10 DGCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCOC1 ZINC000708133574 660918325 /nfs/dbraw/zinc/91/83/25/660918325.db2.gz MCBOMNFHNGNPBB-SNVBAGLBSA-N 1 2 320.614 3.029 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCOC1 ZINC000708133574 660918328 /nfs/dbraw/zinc/91/83/28/660918328.db2.gz MCBOMNFHNGNPBB-SNVBAGLBSA-N 1 2 320.614 3.029 20 10 DGCDLO C[C@H]1[N@H+](Cc2cc(Br)ccc2O)CCOC1(C)C ZINC000708259242 660919473 /nfs/dbraw/zinc/91/94/73/660919473.db2.gz WVXVAYQNTBEKCC-SNVBAGLBSA-N 1 2 314.223 3.154 20 10 DGCDLO C[C@H]1[N@@H+](Cc2cc(Br)ccc2O)CCOC1(C)C ZINC000708259242 660919475 /nfs/dbraw/zinc/91/94/75/660919475.db2.gz WVXVAYQNTBEKCC-SNVBAGLBSA-N 1 2 314.223 3.154 20 10 DGCDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001332706046 1178477786 /nfs/dbraw/zinc/47/77/86/1178477786.db2.gz CHVQKTAVGPCVOJ-HNNXBMFYSA-N 1 2 307.344 3.131 20 10 DGCDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC001332706046 1178477788 /nfs/dbraw/zinc/47/77/88/1178477788.db2.gz CHVQKTAVGPCVOJ-HNNXBMFYSA-N 1 2 307.344 3.131 20 10 DGCDLO Cn1c(C[NH2+]Cc2cc(Cl)cc(F)c2O)nc2ccccc21 ZINC001461155710 1182775756 /nfs/dbraw/zinc/77/57/56/1182775756.db2.gz JRHIGKJIOZIIDD-UHFFFAOYSA-N 1 2 319.767 3.361 20 10 DGCDLO Cc1ccc(OCC[N@@H+](C)Cc2ccc(F)c(F)c2O)cc1 ZINC001462028788 1182898146 /nfs/dbraw/zinc/89/81/46/1182898146.db2.gz YHQAZRBRTUSQHS-UHFFFAOYSA-N 1 2 307.340 3.490 20 10 DGCDLO Cc1ccc(OCC[N@H+](C)Cc2ccc(F)c(F)c2O)cc1 ZINC001462028788 1182898157 /nfs/dbraw/zinc/89/81/57/1182898157.db2.gz YHQAZRBRTUSQHS-UHFFFAOYSA-N 1 2 307.340 3.490 20 10 DGCDLO CCOC(=O)[C@@H](C)[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC001462094203 1182907436 /nfs/dbraw/zinc/90/74/36/1182907436.db2.gz KOVDXAGUCZKNPL-LQYUOIDQSA-N 1 2 316.445 3.182 20 10 DGCDLO CCOC(=O)[C@@H](C)[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC001462094203 1182907440 /nfs/dbraw/zinc/90/74/40/1182907440.db2.gz KOVDXAGUCZKNPL-LQYUOIDQSA-N 1 2 316.445 3.182 20 10 DGCDLO COc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1[N+](=O)[O-] ZINC001474294496 1183897991 /nfs/dbraw/zinc/89/79/91/1183897991.db2.gz ORTOCEDYKUBEOP-UHFFFAOYSA-N 1 2 322.748 3.252 20 10 DGCDLO Oc1ccc2c(c1)CC[N@@H+](Cc1c(O)ccc(Cl)c1F)C2 ZINC001474756948 1183973459 /nfs/dbraw/zinc/97/34/59/1183973459.db2.gz DSEGDOSTMGHZNV-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Oc1ccc2c(c1)CC[N@H+](Cc1c(O)ccc(Cl)c1F)C2 ZINC001474756948 1183973463 /nfs/dbraw/zinc/97/34/63/1183973463.db2.gz DSEGDOSTMGHZNV-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO CC(C)C[N@H+](C)CCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001656569720 1196050700 /nfs/dbraw/zinc/05/07/00/1196050700.db2.gz RRFWDSVPNYYDDS-UHFFFAOYSA-N 1 2 302.821 3.252 20 10 DGCDLO CC(C)C[N@@H+](C)CCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001656569720 1196050703 /nfs/dbraw/zinc/05/07/03/1196050703.db2.gz RRFWDSVPNYYDDS-UHFFFAOYSA-N 1 2 302.821 3.252 20 10 DGCDLO C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(N(C)C)cc1 ZINC001556260524 1188992581 /nfs/dbraw/zinc/99/25/81/1188992581.db2.gz MDGABGZAPYYNNG-GFCCVEGCSA-N 1 2 308.385 3.120 20 10 DGCDLO OCC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC001560344726 1189315048 /nfs/dbraw/zinc/31/50/48/1189315048.db2.gz ISYMPZIZJQKMCU-CYBMUJFWSA-N 1 2 323.795 3.441 20 10 DGCDLO CC(C)c1noc(CC[NH2+]Cc2cc(Cl)cc(F)c2O)n1 ZINC001620770655 1191468998 /nfs/dbraw/zinc/46/89/98/1191468998.db2.gz YWJGNXPMMSWJFN-UHFFFAOYSA-N 1 2 313.760 3.023 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC001621396548 1193837841 /nfs/dbraw/zinc/83/78/41/1193837841.db2.gz MSGZBXLVQLCBBC-GJZGRUSLSA-N 1 2 320.477 3.312 20 10 DGCDLO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001651021719 1195404714 /nfs/dbraw/zinc/40/47/14/1195404714.db2.gz BTKDNEJXCAXROF-UHFFFAOYSA-N 1 2 324.739 3.425 20 10 DGCDLO Cc1[nH]c(-c2ccc(NC(=O)c3cccc(O)c3O)cc2)[nH+]c1C ZINC001651067989 1195409708 /nfs/dbraw/zinc/40/97/08/1195409708.db2.gz OBVOELFEPDOMHQ-UHFFFAOYSA-N 1 2 323.352 3.357 20 10 DGCDLO COc1ccc2c(c1)OCC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001652294881 1195577257 /nfs/dbraw/zinc/57/72/57/1195577257.db2.gz DQQOUAAIWZBVAP-UHFFFAOYSA-N 1 2 319.788 3.449 20 10 DGCDLO COc1ccc2c(c1)OCC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001652294881 1195577261 /nfs/dbraw/zinc/57/72/61/1195577261.db2.gz DQQOUAAIWZBVAP-UHFFFAOYSA-N 1 2 319.788 3.449 20 10 DGCDLO COC(=O)C(C)(C)CC[N@@H+]1CCCCc2cc(OC)ccc21 ZINC001658244045 1196229499 /nfs/dbraw/zinc/22/94/99/1196229499.db2.gz MWZHDCCJHZFWEQ-UHFFFAOYSA-N 1 2 305.418 3.427 20 10 DGCDLO COC(=O)C(C)(C)CC[N@H+]1CCCCc2cc(OC)ccc21 ZINC001658244045 1196229502 /nfs/dbraw/zinc/22/95/02/1196229502.db2.gz MWZHDCCJHZFWEQ-UHFFFAOYSA-N 1 2 305.418 3.427 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC001658751243 1196296062 /nfs/dbraw/zinc/29/60/62/1196296062.db2.gz CNSQZAUCCZDFPR-HNNXBMFYSA-N 1 2 316.367 3.214 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC001658751243 1196296067 /nfs/dbraw/zinc/29/60/67/1196296067.db2.gz CNSQZAUCCZDFPR-HNNXBMFYSA-N 1 2 316.367 3.214 20 10 DGCDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2cc(F)cc(F)c2O)CCO1 ZINC001659119609 1196347957 /nfs/dbraw/zinc/34/79/57/1196347957.db2.gz KICBWYKBIYWJMR-SFHVURJKSA-N 1 2 319.351 3.418 20 10 DGCDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cc(F)cc(F)c2O)CCO1 ZINC001659119609 1196347964 /nfs/dbraw/zinc/34/79/64/1196347964.db2.gz KICBWYKBIYWJMR-SFHVURJKSA-N 1 2 319.351 3.418 20 10 DGCDLO CCOC(=O)[C@@H](C)[N@H+](Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC001659477221 1196387406 /nfs/dbraw/zinc/38/74/06/1196387406.db2.gz PTPRABWSMRUBPX-LLVKDONJSA-N 1 2 311.809 3.270 20 10 DGCDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC001659477221 1196387410 /nfs/dbraw/zinc/38/74/10/1196387410.db2.gz PTPRABWSMRUBPX-LLVKDONJSA-N 1 2 311.809 3.270 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC001660782083 1196523176 /nfs/dbraw/zinc/52/31/76/1196523176.db2.gz RUXADVOWFKKFOD-UHFFFAOYSA-N 1 2 302.324 3.484 20 10 DGCDLO C[C@@]12CSC[C@@H]1C[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001665847365 1197206555 /nfs/dbraw/zinc/20/65/55/1197206555.db2.gz ABJWPPGQIPKYTM-IINYFYTJSA-N 1 2 301.814 3.370 20 10 DGCDLO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001665847365 1197206559 /nfs/dbraw/zinc/20/65/59/1197206559.db2.gz ABJWPPGQIPKYTM-IINYFYTJSA-N 1 2 301.814 3.370 20 10 DGCDLO Oc1ccc(CNc2cccc(Cc3ccncc3)[nH+]2)cc1O ZINC001169993666 1081803621 /nfs/dbraw/zinc/80/36/21/1081803621.db2.gz XAPHJCSCEJEOCG-UHFFFAOYSA-N 1 2 307.353 3.091 20 10 DGCDLO Cc1cc(O)c(C[NH2+][C@H](C(=O)OC(C)C)C(C)C)cc1Cl ZINC001181921273 1083584345 /nfs/dbraw/zinc/58/43/45/1083584345.db2.gz SKBSNLKIDRCNEF-HNNXBMFYSA-N 1 2 313.825 3.420 20 10 DGCDLO C[C@H]1C(=O)CC[N@H+](Cc2cc(F)c(F)cc2O)C12CCCC2 ZINC001142534397 1087279782 /nfs/dbraw/zinc/27/97/82/1087279782.db2.gz IBOBSVTXIXXCAU-NSHDSACASA-N 1 2 309.356 3.394 20 10 DGCDLO C[C@H]1C(=O)CC[N@@H+](Cc2cc(F)c(F)cc2O)C12CCCC2 ZINC001142534397 1087279785 /nfs/dbraw/zinc/27/97/85/1087279785.db2.gz IBOBSVTXIXXCAU-NSHDSACASA-N 1 2 309.356 3.394 20 10 DGCDLO CCCN(CCC)c1cc(NCc2ccc(O)c(O)c2)[nH+]cn1 ZINC001158997420 1088125353 /nfs/dbraw/zinc/12/53/53/1088125353.db2.gz HMNYIVBARWCBSY-UHFFFAOYSA-N 1 2 316.405 3.126 20 10 DGCDLO CCCN(CCC)c1cc(NCc2ccc(O)c(O)c2)nc[nH+]1 ZINC001158997420 1088125368 /nfs/dbraw/zinc/12/53/68/1088125368.db2.gz HMNYIVBARWCBSY-UHFFFAOYSA-N 1 2 316.405 3.126 20 10 DGCDLO Cc1nc(NCc2cc(Cl)c3cccnc3c2O)cc[nH+]1 ZINC001168522572 1088531969 /nfs/dbraw/zinc/53/19/69/1088531969.db2.gz FWVFLFGABGQSDI-UHFFFAOYSA-N 1 2 300.749 3.304 20 10 DGCDLO Cc1c[nH+]c(N(C)Cc2ccc(N(C)C)cc2)nc1NC(C)C ZINC001156920866 1089743544 /nfs/dbraw/zinc/74/35/44/1089743544.db2.gz IBOALAJTWLJAKJ-UHFFFAOYSA-N 1 2 313.449 3.308 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@]1(C)O ZINC001237618419 1090314430 /nfs/dbraw/zinc/31/44/30/1090314430.db2.gz ZZMBQUXQPCYQQQ-ZUZCIYMTSA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@]1(C)O ZINC001237618419 1090314437 /nfs/dbraw/zinc/31/44/37/1090314437.db2.gz ZZMBQUXQPCYQQQ-ZUZCIYMTSA-N 1 2 301.789 3.168 20 10 DGCDLO CSc1ncc2c(n1)C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001203664412 1090775675 /nfs/dbraw/zinc/77/56/75/1090775675.db2.gz DULGJBQZIDKTPK-UHFFFAOYSA-N 1 2 321.833 3.116 20 10 DGCDLO CSc1ncc2c(n1)C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001203664412 1090775681 /nfs/dbraw/zinc/77/56/81/1090775681.db2.gz DULGJBQZIDKTPK-UHFFFAOYSA-N 1 2 321.833 3.116 20 10 DGCDLO Oc1ccc(Cl)cc1C[NH+]1CC(Oc2ccc(F)cc2)C1 ZINC001203664295 1090776269 /nfs/dbraw/zinc/77/62/69/1090776269.db2.gz WNPXABFCGDDDCE-UHFFFAOYSA-N 1 2 307.752 3.448 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2ccc(F)cc2F)cc(O)c1O ZINC001204346753 1090952802 /nfs/dbraw/zinc/95/28/02/1090952802.db2.gz YKOZEVQUYXAQEQ-UHFFFAOYSA-N 1 2 309.312 3.017 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2F)cc(O)c1O ZINC001204346753 1090952806 /nfs/dbraw/zinc/95/28/06/1090952806.db2.gz YKOZEVQUYXAQEQ-UHFFFAOYSA-N 1 2 309.312 3.017 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2cccc(F)c2F)cc(O)c1O ZINC001204349277 1090953845 /nfs/dbraw/zinc/95/38/45/1090953845.db2.gz RFULYOWZDGZYAS-UHFFFAOYSA-N 1 2 309.312 3.017 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2cccc(F)c2F)cc(O)c1O ZINC001204349277 1090953847 /nfs/dbraw/zinc/95/38/47/1090953847.db2.gz RFULYOWZDGZYAS-UHFFFAOYSA-N 1 2 309.312 3.017 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(-c2noc(Cn3cc[nH+]c3)n2)cc1 ZINC001212536415 1091129129 /nfs/dbraw/zinc/12/91/29/1091129129.db2.gz FJSGQGYVHMSXNH-UHFFFAOYSA-N 1 2 319.368 3.389 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001139126578 1091456836 /nfs/dbraw/zinc/45/68/36/1091456836.db2.gz LGUQNNQHFJTSOQ-YOEHRIQHSA-N 1 2 323.339 3.079 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001139126578 1091456840 /nfs/dbraw/zinc/45/68/40/1091456840.db2.gz LGUQNNQHFJTSOQ-YOEHRIQHSA-N 1 2 323.339 3.079 20 10 DGCDLO Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139689766 1091642674 /nfs/dbraw/zinc/64/26/74/1091642674.db2.gz LXYGNSJWYTWGCX-LBPRGKRZSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139689766 1091642681 /nfs/dbraw/zinc/64/26/81/1091642681.db2.gz LXYGNSJWYTWGCX-LBPRGKRZSA-N 1 2 320.339 3.027 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1ccc(Br)cn1)CC2 ZINC001206540853 1091662335 /nfs/dbraw/zinc/66/23/35/1091662335.db2.gz PRZIONURGMBMKD-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1ccc(Br)cn1)CC2 ZINC001206540853 1091662336 /nfs/dbraw/zinc/66/23/36/1091662336.db2.gz PRZIONURGMBMKD-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1cccc(Br)c1C[N@@H+]1CCc2ccncc2C1 ZINC001140101441 1091769021 /nfs/dbraw/zinc/76/90/21/1091769021.db2.gz RSNGHTHUQKWNAL-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1cccc(Br)c1C[N@H+]1CCc2ccncc2C1 ZINC001140101441 1091769030 /nfs/dbraw/zinc/76/90/30/1091769030.db2.gz RSNGHTHUQKWNAL-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Cc1ncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2Cl)cn1 ZINC001140924349 1092065321 /nfs/dbraw/zinc/06/53/21/1092065321.db2.gz GDJZGSNJMVSOAH-UHFFFAOYSA-N 1 2 304.825 3.136 20 10 DGCDLO Cc1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2Cl)cn1 ZINC001140924349 1092065325 /nfs/dbraw/zinc/06/53/25/1092065325.db2.gz GDJZGSNJMVSOAH-UHFFFAOYSA-N 1 2 304.825 3.136 20 10 DGCDLO CSc1ncc(C[N@H+](C)Cc2ccccc2O)c(Cl)n1 ZINC001142431587 1092481408 /nfs/dbraw/zinc/48/14/08/1092481408.db2.gz HJAKDAPACVEIGR-UHFFFAOYSA-N 1 2 309.822 3.190 20 10 DGCDLO CSc1ncc(C[N@@H+](C)Cc2ccccc2O)c(Cl)n1 ZINC001142431587 1092481415 /nfs/dbraw/zinc/48/14/15/1092481415.db2.gz HJAKDAPACVEIGR-UHFFFAOYSA-N 1 2 309.822 3.190 20 10 DGCDLO O=C(C1CC[NH+](Cc2cc(F)c(F)cc2O)CC1)C(F)(F)F ZINC001142524698 1092493413 /nfs/dbraw/zinc/49/34/13/1092493413.db2.gz HKURBTJUJKBAJT-UHFFFAOYSA-N 1 2 323.261 3.014 20 10 DGCDLO C[C@H]([NH2+]Cc1cccc(Br)c1O)c1cscn1 ZINC000697936653 1095053207 /nfs/dbraw/zinc/05/32/07/1095053207.db2.gz SWGXECUOKXCIPB-QMMMGPOBSA-N 1 2 313.220 3.462 20 10 DGCDLO C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1c(O)cccc1F ZINC001137837752 1095758327 /nfs/dbraw/zinc/75/83/27/1095758327.db2.gz SZAIAJGOPGGUDC-HNNXBMFYSA-N 1 2 314.404 3.238 20 10 DGCDLO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1c(O)cccc1F ZINC001137837752 1095758340 /nfs/dbraw/zinc/75/83/40/1095758340.db2.gz SZAIAJGOPGGUDC-HNNXBMFYSA-N 1 2 314.404 3.238 20 10 DGCDLO Cc1ccc(C[NH+]2CCN(Cc3c(O)cccc3F)CC2)cc1 ZINC001137837741 1095759498 /nfs/dbraw/zinc/75/94/98/1095759498.db2.gz SNKADXVAVAOCAN-UHFFFAOYSA-N 1 2 314.404 3.158 20 10 DGCDLO Cc1ccc(CN2CC[NH+](Cc3c(O)cccc3F)CC2)cc1 ZINC001137837741 1095759509 /nfs/dbraw/zinc/75/95/09/1095759509.db2.gz SNKADXVAVAOCAN-UHFFFAOYSA-N 1 2 314.404 3.158 20 10 DGCDLO O=C1c2ccccc2[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC001231909407 1097887622 /nfs/dbraw/zinc/88/76/22/1097887622.db2.gz CKCPZHCFPJQDAY-GJZGRUSLSA-N 1 2 313.784 3.458 20 10 DGCDLO O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC001231909407 1097887627 /nfs/dbraw/zinc/88/76/27/1097887627.db2.gz CKCPZHCFPJQDAY-GJZGRUSLSA-N 1 2 313.784 3.458 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001231909726 1097889129 /nfs/dbraw/zinc/88/91/29/1097889129.db2.gz ICOHDKXCNNHIME-CYBMUJFWSA-N 1 2 323.742 3.325 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001231909726 1097889132 /nfs/dbraw/zinc/88/91/32/1097889132.db2.gz ICOHDKXCNNHIME-CYBMUJFWSA-N 1 2 323.742 3.325 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001231913484 1097889673 /nfs/dbraw/zinc/88/96/73/1097889673.db2.gz KJBWNMMNCTWXRD-HNNXBMFYSA-N 1 2 318.804 3.484 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001231913484 1097889679 /nfs/dbraw/zinc/88/96/79/1097889679.db2.gz KJBWNMMNCTWXRD-HNNXBMFYSA-N 1 2 318.804 3.484 20 10 DGCDLO Cc1ccnn1C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC001231915084 1097891555 /nfs/dbraw/zinc/89/15/55/1097891555.db2.gz YBCCZQIYQPIDTC-UHFFFAOYSA-N 1 2 305.809 3.388 20 10 DGCDLO COC(=O)c1cccc(C[N@H+](C)Cc2cccc(Cl)c2O)c1 ZINC001231915117 1097892030 /nfs/dbraw/zinc/89/20/30/1097892030.db2.gz ZDBASTKVPWWKPC-UHFFFAOYSA-N 1 2 319.788 3.464 20 10 DGCDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cccc(Cl)c2O)c1 ZINC001231915117 1097892038 /nfs/dbraw/zinc/89/20/38/1097892038.db2.gz ZDBASTKVPWWKPC-UHFFFAOYSA-N 1 2 319.788 3.464 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001231914209 1097892650 /nfs/dbraw/zinc/89/26/50/1097892650.db2.gz IBIBOKWQHRFXIX-MRXNPFEDSA-N 1 2 317.816 3.489 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001231914209 1097892655 /nfs/dbraw/zinc/89/26/55/1097892655.db2.gz IBIBOKWQHRFXIX-MRXNPFEDSA-N 1 2 317.816 3.489 20 10 DGCDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(O)cc2O)no1 ZINC001232260400 1097985414 /nfs/dbraw/zinc/98/54/14/1097985414.db2.gz PNGHTIHUDHNYHN-ZDUSSCGKSA-N 1 2 308.765 3.385 20 10 DGCDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(Cl)c(O)cc2O)no1 ZINC001232260400 1097985417 /nfs/dbraw/zinc/98/54/17/1097985417.db2.gz PNGHTIHUDHNYHN-ZDUSSCGKSA-N 1 2 308.765 3.385 20 10 DGCDLO Oc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC001232263339 1097985904 /nfs/dbraw/zinc/98/59/04/1097985904.db2.gz NEIILIOBEPDKJY-QGZVFWFLSA-N 1 2 319.788 3.325 20 10 DGCDLO Oc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC001232263339 1097985911 /nfs/dbraw/zinc/98/59/11/1097985911.db2.gz NEIILIOBEPDKJY-QGZVFWFLSA-N 1 2 319.788 3.325 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCc3ncsc3C2)cc1Cl ZINC001232270019 1097988631 /nfs/dbraw/zinc/98/86/31/1097988631.db2.gz PQTYLIQMVXDLCA-UHFFFAOYSA-N 1 2 310.806 3.069 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCc3ncsc3C2)cc1Cl ZINC001232270019 1097988636 /nfs/dbraw/zinc/98/86/36/1097988636.db2.gz PQTYLIQMVXDLCA-UHFFFAOYSA-N 1 2 310.806 3.069 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCc3cccnc3C2)cc1Cl ZINC001232267672 1097988873 /nfs/dbraw/zinc/98/88/73/1097988873.db2.gz DOAHVNLFTFBXFP-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCc3cccnc3C2)cc1Cl ZINC001232267672 1097988878 /nfs/dbraw/zinc/98/88/78/1097988878.db2.gz DOAHVNLFTFBXFP-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[NH+]1C2CCC1CC2 ZINC001233031444 1098206294 /nfs/dbraw/zinc/20/62/94/1098206294.db2.gz DJTBAAXRVUVFBN-UHFFFAOYSA-N 1 2 300.171 3.421 20 10 DGCDLO C[N@@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@H](c2ccccc2)C1 ZINC001233074725 1098219799 /nfs/dbraw/zinc/21/97/99/1098219799.db2.gz UXZLANRKOCLWMP-INIZCTEOSA-N 1 2 318.367 3.159 20 10 DGCDLO C[N@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@H](c2ccccc2)C1 ZINC001233074725 1098219802 /nfs/dbraw/zinc/21/98/02/1098219802.db2.gz UXZLANRKOCLWMP-INIZCTEOSA-N 1 2 318.367 3.159 20 10 DGCDLO Oc1c(C[N@@H+]2CCC[C@@H]2Cc2ccccn2)ccc(F)c1F ZINC001233077097 1098219937 /nfs/dbraw/zinc/21/99/37/1098219937.db2.gz DHDSSLCMSQMCBO-CQSZACIVSA-N 1 2 304.340 3.273 20 10 DGCDLO Oc1c(C[N@H+]2CCC[C@@H]2Cc2ccccn2)ccc(F)c1F ZINC001233077097 1098219940 /nfs/dbraw/zinc/21/99/40/1098219940.db2.gz DHDSSLCMSQMCBO-CQSZACIVSA-N 1 2 304.340 3.273 20 10 DGCDLO Cc1ncc(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2O)cn1 ZINC001233418922 1098325062 /nfs/dbraw/zinc/32/50/62/1098325062.db2.gz BRRMXGBDOCSOHT-UHFFFAOYSA-N 1 2 311.307 3.141 20 10 DGCDLO Cc1ncc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2O)cn1 ZINC001233418922 1098325067 /nfs/dbraw/zinc/32/50/67/1098325067.db2.gz BRRMXGBDOCSOHT-UHFFFAOYSA-N 1 2 311.307 3.141 20 10 DGCDLO C[N@H+](Cc1nccs1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454726 1098339530 /nfs/dbraw/zinc/33/95/30/1098339530.db2.gz IBUQNZPQBAKMCP-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO C[N@@H+](Cc1nccs1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454726 1098339538 /nfs/dbraw/zinc/33/95/38/1098339538.db2.gz IBUQNZPQBAKMCP-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCC[C@@H](C)C1 ZINC001177262686 1098508680 /nfs/dbraw/zinc/50/86/80/1098508680.db2.gz XEWJEDAFFXUPMJ-VXGBXAGGSA-N 1 2 314.832 3.395 20 10 DGCDLO COc1ccc2ccc(O)c(CN3C[C@H](C)[N@H+](C)C[C@H]3C)c2c1 ZINC001234525434 1098580290 /nfs/dbraw/zinc/58/02/90/1098580290.db2.gz HMUYMZFFEPLWNW-UONOGXRCSA-N 1 2 314.429 3.078 20 10 DGCDLO COc1ccc2ccc(O)c(CN3C[C@H](C)[N@@H+](C)C[C@H]3C)c2c1 ZINC001234525434 1098580299 /nfs/dbraw/zinc/58/02/99/1098580299.db2.gz HMUYMZFFEPLWNW-UONOGXRCSA-N 1 2 314.429 3.078 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[NH+]1CCC(F)CC1 ZINC001235298367 1098947614 /nfs/dbraw/zinc/94/76/14/1098947614.db2.gz RSKNJYSOWRLBAP-UHFFFAOYSA-N 1 2 306.150 3.228 20 10 DGCDLO CN(C)c1cccc(C[N@H+](C)Cc2ccc(F)c(F)c2O)c1 ZINC001180136390 1099311139 /nfs/dbraw/zinc/31/11/39/1099311139.db2.gz ASWGVKPPTXXZOL-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO CN(C)c1cccc(C[N@@H+](C)Cc2ccc(F)c(F)c2O)c1 ZINC001180136390 1099311152 /nfs/dbraw/zinc/31/11/52/1099311152.db2.gz ASWGVKPPTXXZOL-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001236790224 1099785738 /nfs/dbraw/zinc/78/57/38/1099785738.db2.gz NBKDDMNDTBIYKL-PELKAZGASA-N 1 2 324.154 3.165 20 10 DGCDLO Oc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001236790224 1099785744 /nfs/dbraw/zinc/78/57/44/1099785744.db2.gz NBKDDMNDTBIYKL-PELKAZGASA-N 1 2 324.154 3.165 20 10 DGCDLO CCOC(=O)C[N@H+](CC)Cc1cc(Cl)c(Cl)cc1O ZINC001236799929 1099792823 /nfs/dbraw/zinc/79/28/23/1099792823.db2.gz RUYROMYGIMUFAE-UHFFFAOYSA-N 1 2 306.189 3.084 20 10 DGCDLO CCOC(=O)C[N@@H+](CC)Cc1cc(Cl)c(Cl)cc1O ZINC001236799929 1099792836 /nfs/dbraw/zinc/79/28/36/1099792836.db2.gz RUYROMYGIMUFAE-UHFFFAOYSA-N 1 2 306.189 3.084 20 10 DGCDLO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(O)c1Cl ZINC001236801976 1099796658 /nfs/dbraw/zinc/79/66/58/1099796658.db2.gz LXSBAAYWNYIBPK-WCQYABFASA-N 1 2 311.809 3.055 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(O)c1Cl ZINC001236801976 1099796666 /nfs/dbraw/zinc/79/66/66/1099796666.db2.gz LXSBAAYWNYIBPK-WCQYABFASA-N 1 2 311.809 3.055 20 10 DGCDLO F[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236922394 1099880395 /nfs/dbraw/zinc/88/03/95/1099880395.db2.gz RHADTLHWIPWZEN-CQSZACIVSA-N 1 2 312.816 3.111 20 10 DGCDLO F[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236922394 1099880405 /nfs/dbraw/zinc/88/04/05/1099880405.db2.gz RHADTLHWIPWZEN-CQSZACIVSA-N 1 2 312.816 3.111 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)CC(C)(C)O1 ZINC000691675499 1099924154 /nfs/dbraw/zinc/92/41/54/1099924154.db2.gz IYHWHQGKQIVYTR-SNVBAGLBSA-N 1 2 314.223 3.154 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)CC(C)(C)O1 ZINC000691675499 1099924168 /nfs/dbraw/zinc/92/41/68/1099924168.db2.gz IYHWHQGKQIVYTR-SNVBAGLBSA-N 1 2 314.223 3.154 20 10 DGCDLO Oc1cc(OCC(F)(F)F)ccc1C[N@@H+]1Cc2cccnc2C1 ZINC001237050905 1099943753 /nfs/dbraw/zinc/94/37/53/1099943753.db2.gz FSWRTJZPTZLXSN-UHFFFAOYSA-N 1 2 324.302 3.244 20 10 DGCDLO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1Cc2cccnc2C1 ZINC001237050905 1099943764 /nfs/dbraw/zinc/94/37/64/1099943764.db2.gz FSWRTJZPTZLXSN-UHFFFAOYSA-N 1 2 324.302 3.244 20 10 DGCDLO Cc1[nH+]cc2n1CCN(Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001237079317 1099959623 /nfs/dbraw/zinc/95/96/23/1099959623.db2.gz JTBDCXKIEDTGMR-UHFFFAOYSA-N 1 2 312.200 3.220 20 10 DGCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)CCCC1=O ZINC001237118790 1099979020 /nfs/dbraw/zinc/97/90/20/1099979020.db2.gz BDJMOKITWJWGJM-JTQLQIEISA-N 1 2 317.307 3.092 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CCCC1=O ZINC001237118790 1099979032 /nfs/dbraw/zinc/97/90/32/1099979032.db2.gz BDJMOKITWJWGJM-JTQLQIEISA-N 1 2 317.307 3.092 20 10 DGCDLO CC(C)[C@H]1COCC[N@@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237116098 1099980452 /nfs/dbraw/zinc/98/04/52/1099980452.db2.gz WTWUSVFYZPFVPP-GFCCVEGCSA-N 1 2 319.323 3.148 20 10 DGCDLO CC(C)[C@H]1COCC[N@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237116098 1099980458 /nfs/dbraw/zinc/98/04/58/1099980458.db2.gz WTWUSVFYZPFVPP-GFCCVEGCSA-N 1 2 319.323 3.148 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCCCC12COC2 ZINC001237139755 1099990361 /nfs/dbraw/zinc/99/03/61/1099990361.db2.gz OLYTUQPQTCWVEJ-UHFFFAOYSA-N 1 2 301.308 3.166 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@H+]1CCCCC12COC2 ZINC001237139755 1099990374 /nfs/dbraw/zinc/99/03/74/1099990374.db2.gz OLYTUQPQTCWVEJ-UHFFFAOYSA-N 1 2 301.308 3.166 20 10 DGCDLO C[N@H+](Cc1ccccc1O)Cc1cc(Cl)nc(Cl)c1O ZINC001237537167 1100165368 /nfs/dbraw/zinc/16/53/68/1100165368.db2.gz IUUOKUFIJDQRJE-UHFFFAOYSA-N 1 2 313.184 3.432 20 10 DGCDLO C[N@@H+](Cc1ccccc1O)Cc1cc(Cl)nc(Cl)c1O ZINC001237537167 1100165371 /nfs/dbraw/zinc/16/53/71/1100165371.db2.gz IUUOKUFIJDQRJE-UHFFFAOYSA-N 1 2 313.184 3.432 20 10 DGCDLO CC1(C)C[N@H+](Cc2cc(Cl)cc(F)c2O)[C@](C)(CO)C1 ZINC001237617178 1100190553 /nfs/dbraw/zinc/19/05/53/1100190553.db2.gz MBLSFFHCNOUPSJ-HNNXBMFYSA-N 1 2 301.789 3.168 20 10 DGCDLO CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2O)[C@](C)(CO)C1 ZINC001237617178 1100190554 /nfs/dbraw/zinc/19/05/54/1100190554.db2.gz MBLSFFHCNOUPSJ-HNNXBMFYSA-N 1 2 301.789 3.168 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237621907 1100192617 /nfs/dbraw/zinc/19/26/17/1100192617.db2.gz IVIIURYFCZALLL-CYBMUJFWSA-N 1 2 321.726 3.185 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237621907 1100192621 /nfs/dbraw/zinc/19/26/21/1100192621.db2.gz IVIIURYFCZALLL-CYBMUJFWSA-N 1 2 321.726 3.185 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001237806418 1100253693 /nfs/dbraw/zinc/25/36/93/1100253693.db2.gz VMGDQHTZORTUNW-LBPRGKRZSA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001237806418 1100253701 /nfs/dbraw/zinc/25/37/01/1100253701.db2.gz VMGDQHTZORTUNW-LBPRGKRZSA-N 1 2 313.800 3.433 20 10 DGCDLO OCC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(Cl)c1O ZINC001237811023 1100256237 /nfs/dbraw/zinc/25/62/37/1100256237.db2.gz UWYJGSZULGISOX-UHFFFAOYSA-N 1 2 309.768 3.179 20 10 DGCDLO Cc1cc(N2CCOCC2)[nH+]cc1-c1ccc2ccn(C)c2c1 ZINC001240574481 1101055545 /nfs/dbraw/zinc/05/55/45/1101055545.db2.gz NCJAUUFDZGRJNM-UHFFFAOYSA-N 1 2 307.397 3.385 20 10 DGCDLO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1(C)C ZINC001201657075 1102687949 /nfs/dbraw/zinc/68/79/49/1102687949.db2.gz URLFXIFNVFOHOA-NFMODRRSSA-N 1 2 301.789 3.334 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)cc1F ZINC001201962917 1102774612 /nfs/dbraw/zinc/77/46/12/1102774612.db2.gz IQLDJOUJVBPIBE-AWEZNQCLSA-N 1 2 322.330 3.393 20 10 DGCDLO O=C1C[N@H+](Cc2ccc(N3CCCC3)cc2)Cc2ccccc2N1 ZINC001327668256 1103702993 /nfs/dbraw/zinc/70/29/93/1103702993.db2.gz KLGFQQDENBKNKV-UHFFFAOYSA-N 1 2 321.424 3.241 20 10 DGCDLO O=C1C[N@@H+](Cc2ccc(N3CCCC3)cc2)Cc2ccccc2N1 ZINC001327668256 1103703007 /nfs/dbraw/zinc/70/30/07/1103703007.db2.gz KLGFQQDENBKNKV-UHFFFAOYSA-N 1 2 321.424 3.241 20 10 DGCDLO Cn1c(=O)ccc2ccc(-c3c[nH+]cn3Cc3ccccc3)cc21 ZINC001245202111 1103908319 /nfs/dbraw/zinc/90/83/19/1103908319.db2.gz RCRRJSGACZDGHE-UHFFFAOYSA-N 1 2 315.376 3.450 20 10 DGCDLO CCC[N@H+](Cc1noc(C2CCC2)n1)Cc1ccccc1O ZINC001329224853 1104193327 /nfs/dbraw/zinc/19/33/27/1104193327.db2.gz KBJICBCZVFOHRC-UHFFFAOYSA-N 1 2 301.390 3.455 20 10 DGCDLO CCC[N@@H+](Cc1noc(C2CCC2)n1)Cc1ccccc1O ZINC001329224853 1104193333 /nfs/dbraw/zinc/19/33/33/1104193333.db2.gz KBJICBCZVFOHRC-UHFFFAOYSA-N 1 2 301.390 3.455 20 10 DGCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248883969 1105186743 /nfs/dbraw/zinc/18/67/43/1105186743.db2.gz UVPUTRXTERXXDM-JTQLQIEISA-N 1 2 313.825 3.336 20 10 DGCDLO C[C@@H]1CCc2nc(C[NH2+]Cc3c(O)cccc3F)sc2C1 ZINC001262375371 1107704407 /nfs/dbraw/zinc/70/44/07/1107704407.db2.gz HLHHBMUNPPIFER-SNVBAGLBSA-N 1 2 306.406 3.402 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1noc2ccc(F)cc12 ZINC001308494108 1111434851 /nfs/dbraw/zinc/43/48/51/1111434851.db2.gz FWHAVLMQCNJHQM-UHFFFAOYSA-N 1 2 308.259 3.241 20 10 DGCDLO O=C(NCc1cc(Cl)ccc1O)Nc1ccc2[nH+]ccn2c1 ZINC001311027995 1111579651 /nfs/dbraw/zinc/57/96/51/1111579651.db2.gz YVHSEXHBOHXDJG-UHFFFAOYSA-N 1 2 316.748 3.015 20 10 DGCDLO Cc1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc[nH+]1 ZINC000179803837 432071442 /nfs/dbraw/zinc/07/14/42/432071442.db2.gz GGLKEKYKWSGLSY-UHFFFAOYSA-N 1 2 310.401 3.312 20 10 DGCDLO CCCNC(=O)C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1O ZINC000286795426 283371341 /nfs/dbraw/zinc/37/13/41/283371341.db2.gz AAYYNMZSVDRBKP-LBPRGKRZSA-N 1 2 319.232 3.266 20 10 DGCDLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1ccc(N(C)C)cc1 ZINC000296584774 296136088 /nfs/dbraw/zinc/13/60/88/296136088.db2.gz UPZQEZGNQPVYKB-LLVKDONJSA-N 1 2 324.350 3.412 20 10 DGCDLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000093482716 193257899 /nfs/dbraw/zinc/25/78/99/193257899.db2.gz SLONEWKVEHVKPV-SKDRFNHKSA-N 1 2 304.217 3.434 20 10 DGCDLO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000093482716 193257900 /nfs/dbraw/zinc/25/79/00/193257900.db2.gz SLONEWKVEHVKPV-SKDRFNHKSA-N 1 2 304.217 3.434 20 10 DGCDLO CCOc1cccc(C[N@@H+]2CCOC[C@H]2c2ccc(C)o2)c1O ZINC000093459818 193254914 /nfs/dbraw/zinc/25/49/14/193254914.db2.gz RHHWDQIHDBOKOI-HNNXBMFYSA-N 1 2 317.385 3.266 20 10 DGCDLO CCOc1cccc(C[N@H+]2CCOC[C@H]2c2ccc(C)o2)c1O ZINC000093459818 193254916 /nfs/dbraw/zinc/25/49/16/193254916.db2.gz RHHWDQIHDBOKOI-HNNXBMFYSA-N 1 2 317.385 3.266 20 10 DGCDLO COCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1 ZINC000272240537 130012346 /nfs/dbraw/zinc/01/23/46/130012346.db2.gz GWHSDQGEXYNKBE-CQSZACIVSA-N 1 2 320.345 3.069 20 10 DGCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276778831 130545071 /nfs/dbraw/zinc/54/50/71/130545071.db2.gz ZBVQFCQPXKZJHZ-JXMROGBWSA-N 1 2 324.428 3.072 20 10 DGCDLO CC(C)c1noc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000298718264 132074538 /nfs/dbraw/zinc/07/45/38/132074538.db2.gz MXPQDIJUNMLBET-UHFFFAOYSA-N 1 2 314.433 3.424 20 10 DGCDLO CC(C)c1noc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000298718264 132074540 /nfs/dbraw/zinc/07/45/40/132074540.db2.gz MXPQDIJUNMLBET-UHFFFAOYSA-N 1 2 314.433 3.424 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000061072128 401145460 /nfs/dbraw/zinc/14/54/60/401145460.db2.gz GJOOWYSAPMLVJY-UHFFFAOYSA-N 1 2 322.412 3.100 20 10 DGCDLO CC[C@H]([NH2+]CCOCCOC)c1cc(Cl)cc(Cl)c1O ZINC000287531039 288042214 /nfs/dbraw/zinc/04/22/14/288042214.db2.gz DPZHVYCUVCGXCO-ZDUSSCGKSA-N 1 2 322.232 3.403 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc(Cl)c1O ZINC000367567673 288072641 /nfs/dbraw/zinc/07/26/41/288072641.db2.gz UZJORKSKAPNKGF-RISCZKNCSA-N 1 2 305.809 3.367 20 10 DGCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]C2(c3cccc(F)c3)CC2)c1 ZINC000152860693 432364107 /nfs/dbraw/zinc/36/41/07/432364107.db2.gz IKEJZADMHPKRBG-UHFFFAOYSA-N 1 2 302.305 3.218 20 10 DGCDLO C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(Cl)c(Cl)c1O ZINC000186212101 432570135 /nfs/dbraw/zinc/57/01/35/432570135.db2.gz PQGZXZCMVNOJQW-MRVPVSSYSA-N 1 2 306.189 3.113 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000230314936 432726151 /nfs/dbraw/zinc/72/61/51/432726151.db2.gz OXYKFUXTDMGHRP-OCCSQVGLSA-N 1 2 302.201 3.356 20 10 DGCDLO C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)c(F)c1[O-] ZINC000187750499 432683167 /nfs/dbraw/zinc/68/31/67/432683167.db2.gz RUWSCQRWCUVWEQ-NSHDSACASA-N 1 2 307.344 3.218 20 10 DGCDLO C[N@H+](Cc1noc(-c2ccsc2)n1)Cc1ccccc1O ZINC000160876640 432746837 /nfs/dbraw/zinc/74/68/37/432746837.db2.gz KNZWXCNGMFOSCV-UHFFFAOYSA-N 1 2 301.371 3.136 20 10 DGCDLO C[N@@H+](Cc1noc(-c2ccsc2)n1)Cc1ccccc1O ZINC000160876640 432746842 /nfs/dbraw/zinc/74/68/42/432746842.db2.gz KNZWXCNGMFOSCV-UHFFFAOYSA-N 1 2 301.371 3.136 20 10 DGCDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1O)[C@H]1CC[C@H](O)CC1 ZINC000275954926 432763682 /nfs/dbraw/zinc/76/36/82/432763682.db2.gz JRTDWYJFABGPCH-HAQNSBGRSA-N 1 2 304.217 3.434 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1O)[C@H]1CC[C@H](O)CC1 ZINC000275954926 432763684 /nfs/dbraw/zinc/76/36/84/432763684.db2.gz JRTDWYJFABGPCH-HAQNSBGRSA-N 1 2 304.217 3.434 20 10 DGCDLO COC(=O)[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000276492604 432811518 /nfs/dbraw/zinc/81/15/18/432811518.db2.gz QKBGSALQCBUMIY-SFHVURJKSA-N 1 2 311.381 3.100 20 10 DGCDLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1ccc(F)cc1O ZINC000296617249 432924400 /nfs/dbraw/zinc/92/44/00/432924400.db2.gz WQNXWJONJBMBLC-MRVPVSSYSA-N 1 2 315.270 3.191 20 10 DGCDLO CCCn1ncnc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000279155078 432940719 /nfs/dbraw/zinc/94/07/19/432940719.db2.gz BHGVFEYIGZFVTR-UHFFFAOYSA-N 1 2 315.465 3.165 20 10 DGCDLO CCCn1ncnc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000279155078 432940722 /nfs/dbraw/zinc/94/07/22/432940722.db2.gz BHGVFEYIGZFVTR-UHFFFAOYSA-N 1 2 315.465 3.165 20 10 DGCDLO C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(Cl)c(Cl)c1O ZINC000289787327 432974331 /nfs/dbraw/zinc/97/43/31/432974331.db2.gz NAQIWOKYJDAOEC-QMMMGPOBSA-N 1 2 300.189 3.315 20 10 DGCDLO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185467988 292722630 /nfs/dbraw/zinc/72/26/30/292722630.db2.gz UCOQDIBQYRGDGB-XPTSAGLGSA-N 1 2 322.232 3.137 20 10 DGCDLO Cc1c2ccccc2n(C)c1C[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421396637 433544141 /nfs/dbraw/zinc/54/41/41/433544141.db2.gz RHYRFQQIKQFKAG-UHFFFAOYSA-N 1 2 316.836 3.472 20 10 DGCDLO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293636713 433810652 /nfs/dbraw/zinc/81/06/52/433810652.db2.gz NPCYLUCRXTVUGS-MNOVXSKESA-N 1 2 301.789 3.480 20 10 DGCDLO CCCc1nc(C)c(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)o1 ZINC000293903841 433915782 /nfs/dbraw/zinc/91/57/82/433915782.db2.gz ZTOCKMFCYBBPPJ-JTQLQIEISA-N 1 2 319.361 3.400 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000293933986 433931762 /nfs/dbraw/zinc/93/17/62/433931762.db2.gz HQSWKCFHILWABN-SJORKVTESA-N 1 2 323.820 3.198 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1O ZINC000293933986 433931770 /nfs/dbraw/zinc/93/17/70/433931770.db2.gz HQSWKCFHILWABN-SJORKVTESA-N 1 2 323.820 3.198 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000293933971 433932645 /nfs/dbraw/zinc/93/26/45/433932645.db2.gz HQSWKCFHILWABN-DLBZAZTESA-N 1 2 323.820 3.198 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1O ZINC000293933971 433932652 /nfs/dbraw/zinc/93/26/52/433932652.db2.gz HQSWKCFHILWABN-DLBZAZTESA-N 1 2 323.820 3.198 20 10 DGCDLO COC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294847910 434151535 /nfs/dbraw/zinc/15/15/35/434151535.db2.gz URZFAGHRPRRUSN-ZDUSSCGKSA-N 1 2 318.442 3.036 20 10 DGCDLO CC[C@@H]([NH2+][C@H](CO)CCOC)c1cc(Cl)cc(Cl)c1O ZINC000286967836 434298855 /nfs/dbraw/zinc/29/88/55/434298855.db2.gz IHYAUCCPKQEJGZ-GXFFZTMASA-N 1 2 322.232 3.137 20 10 DGCDLO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2noc(C)n2)c1 ZINC000367475477 434548378 /nfs/dbraw/zinc/54/83/78/434548378.db2.gz ZUBPDJTZJXHNCU-OAHLLOKOSA-N 1 2 317.389 3.210 20 10 DGCDLO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2noc(C)n2)c1 ZINC000367475477 434548383 /nfs/dbraw/zinc/54/83/83/434548383.db2.gz ZUBPDJTZJXHNCU-OAHLLOKOSA-N 1 2 317.389 3.210 20 10 DGCDLO C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc2ccccc2c1O ZINC000370399706 434611791 /nfs/dbraw/zinc/61/17/91/434611791.db2.gz VMOXWRMDJRQKEL-SWLSCSKDSA-N 1 2 307.397 3.477 20 10 DGCDLO CC(C)c1nnc2n1CC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000371635457 434732033 /nfs/dbraw/zinc/73/20/33/434732033.db2.gz XJNULZVRMFYZRS-UHFFFAOYSA-N 1 2 322.412 3.276 20 10 DGCDLO CC(C)c1nnc2n1CC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000371635457 434732041 /nfs/dbraw/zinc/73/20/41/434732041.db2.gz XJNULZVRMFYZRS-UHFFFAOYSA-N 1 2 322.412 3.276 20 10 DGCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@H]2CCOc3c(F)cccc32)c1 ZINC000372875355 434860240 /nfs/dbraw/zinc/86/02/40/434860240.db2.gz BDXVXUHADWDXGE-CQSZACIVSA-N 1 2 318.304 3.053 20 10 DGCDLO COc1ccc([NH+]2CCC(Nc3cccc(F)n3)CC2)cc1 ZINC000301147188 336292145 /nfs/dbraw/zinc/29/21/45/336292145.db2.gz BHJWVUSGACTUCI-UHFFFAOYSA-N 1 2 301.365 3.310 20 10 DGCDLO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179936140 520675609 /nfs/dbraw/zinc/67/56/09/520675609.db2.gz XHYOMWAHOKDSJL-AWEZNQCLSA-N 1 2 324.852 3.174 20 10 DGCDLO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179936140 520675617 /nfs/dbraw/zinc/67/56/17/520675617.db2.gz XHYOMWAHOKDSJL-AWEZNQCLSA-N 1 2 324.852 3.174 20 10 DGCDLO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)cc1 ZINC000191194144 525207004 /nfs/dbraw/zinc/20/70/04/525207004.db2.gz AHRQGJOESOYABK-BONVTDFDSA-N 1 2 323.339 3.063 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1O ZINC000191193858 525474942 /nfs/dbraw/zinc/47/49/42/525474942.db2.gz TXGCWQURTGLOLX-YMTOWFKASA-N 1 2 311.303 3.194 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nccn2CC)cc1 ZINC000730081744 575274341 /nfs/dbraw/zinc/27/43/41/575274341.db2.gz XWVGKOYXJXNVDI-UHFFFAOYSA-N 1 2 300.450 3.381 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nccn2CC)cc1 ZINC000730081744 575274343 /nfs/dbraw/zinc/27/43/43/575274343.db2.gz XWVGKOYXJXNVDI-UHFFFAOYSA-N 1 2 300.450 3.381 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@H](C(F)(F)F)O1 ZINC000744445455 575343184 /nfs/dbraw/zinc/34/31/84/575343184.db2.gz VSNUVRIRHMXFDV-ZUZCIYMTSA-N 1 2 315.335 3.033 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@H](C(F)(F)F)O1 ZINC000744445455 575343185 /nfs/dbraw/zinc/34/31/85/575343185.db2.gz VSNUVRIRHMXFDV-ZUZCIYMTSA-N 1 2 315.335 3.033 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000852741118 620644702 /nfs/dbraw/zinc/64/47/02/620644702.db2.gz FPWMMPDSKIOZMH-IUODEOHRSA-N 1 2 316.367 3.294 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000852741118 620644703 /nfs/dbraw/zinc/64/47/03/620644703.db2.gz FPWMMPDSKIOZMH-IUODEOHRSA-N 1 2 316.367 3.294 20 10 DGCDLO C[C@H]([NH2+]Cc1cccc(Br)c1O)[C@H]1CC1(F)F ZINC000840967876 630388307 /nfs/dbraw/zinc/38/83/07/630388307.db2.gz KNGVXQUYWXSXBA-IONNQARKSA-N 1 2 306.150 3.288 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH+]1CC(C2CC2)C1 ZINC000894813303 618463905 /nfs/dbraw/zinc/46/39/05/618463905.db2.gz OGZFQUILXNAZGA-UHFFFAOYSA-N 1 2 300.171 3.136 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000894885367 618488175 /nfs/dbraw/zinc/48/81/75/618488175.db2.gz BPDXNFGRTRKGGN-BMFZPTHFSA-N 1 2 311.372 3.186 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000894885367 618488176 /nfs/dbraw/zinc/48/81/76/618488176.db2.gz BPDXNFGRTRKGGN-BMFZPTHFSA-N 1 2 311.372 3.186 20 10 DGCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc(C(C)C)c[nH]2)cc1 ZINC000895136671 618549226 /nfs/dbraw/zinc/54/92/26/618549226.db2.gz FPLYCFKIBAYXGS-UHFFFAOYSA-N 1 2 316.449 3.110 20 10 DGCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc(C(C)C)c[nH]2)cc1 ZINC000895136671 618549229 /nfs/dbraw/zinc/54/92/29/618549229.db2.gz FPLYCFKIBAYXGS-UHFFFAOYSA-N 1 2 316.449 3.110 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840958376 618635065 /nfs/dbraw/zinc/63/50/65/618635065.db2.gz QEHOVOQHHRAPAK-SWLSCSKDSA-N 1 2 321.779 3.493 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840958376 618635067 /nfs/dbraw/zinc/63/50/67/618635067.db2.gz QEHOVOQHHRAPAK-SWLSCSKDSA-N 1 2 321.779 3.493 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000896287471 618897076 /nfs/dbraw/zinc/89/70/76/618897076.db2.gz MPCGKMBKRKUCDQ-UHFFFAOYSA-N 1 2 312.797 3.420 20 10 DGCDLO CC(C)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1cnn(C)c1 ZINC000897080785 619012063 /nfs/dbraw/zinc/01/20/63/619012063.db2.gz CASYXLQYYKXASX-AWEZNQCLSA-N 1 2 311.788 3.405 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cccc2c1OCC2 ZINC000897206803 619028906 /nfs/dbraw/zinc/02/89/06/619028906.db2.gz QTONXLOYEOEIQZ-UHFFFAOYSA-N 1 2 307.752 3.409 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000897341941 619065506 /nfs/dbraw/zinc/06/55/06/619065506.db2.gz PDBZMEGTNGAPFB-CVEARBPZSA-N 1 2 303.789 3.184 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccnn1CC1CCC1 ZINC000898214935 619222132 /nfs/dbraw/zinc/22/21/32/619222132.db2.gz HNNXNZRPNDXMIH-UHFFFAOYSA-N 1 2 305.809 3.332 20 10 DGCDLO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1cc(F)cc(F)c1O ZINC000903190574 619737785 /nfs/dbraw/zinc/73/77/85/619737785.db2.gz AVGXLBDNHNSDAG-MRVPVSSYSA-N 1 2 310.369 3.466 20 10 DGCDLO C[C@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1c(O)cccc1F ZINC000903336439 619759945 /nfs/dbraw/zinc/75/99/45/619759945.db2.gz NZLHIJNLOGSORX-QMMMGPOBSA-N 1 2 317.286 3.134 20 10 DGCDLO Cc1cc(C)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c(C)[nH+]1 ZINC000906454340 620099307 /nfs/dbraw/zinc/09/93/07/620099307.db2.gz OICZVZFSOQWLLW-UHFFFAOYSA-N 1 2 315.392 3.142 20 10 DGCDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc3c(c2)CCCO3)cs1 ZINC000921823997 620956060 /nfs/dbraw/zinc/95/60/60/620956060.db2.gz JVEDXCCXHQRKQV-LBPRGKRZSA-N 1 2 318.442 3.465 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2CO1)c1cc(F)cc(F)c1O ZINC000858453939 621193238 /nfs/dbraw/zinc/19/32/38/621193238.db2.gz QXVATFBFFCOZAG-ABAIWWIYSA-N 1 2 319.351 3.463 20 10 DGCDLO CC[C@@H]([NH2+][C@@H]1CC=C(C(=O)OC)C1)c1cccc(Cl)c1O ZINC000858471146 621194949 /nfs/dbraw/zinc/19/49/49/621194949.db2.gz BMZVUXAIWIOJML-BXUZGUMPSA-N 1 2 309.793 3.348 20 10 DGCDLO Cc1nnc([C@@H](C)[N@H+](C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000839459530 621378812 /nfs/dbraw/zinc/37/88/12/621378812.db2.gz NGYMKMLQLVRQFB-CQSZACIVSA-N 1 2 313.449 3.296 20 10 DGCDLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000839459530 621378814 /nfs/dbraw/zinc/37/88/14/621378814.db2.gz NGYMKMLQLVRQFB-CQSZACIVSA-N 1 2 313.449 3.296 20 10 DGCDLO Cc1ccc(C[N@@H+](C)Cc2c(O)cccc2Br)nc1 ZINC000862339754 621575496 /nfs/dbraw/zinc/57/54/96/621575496.db2.gz GMALLDWYDPXXNV-UHFFFAOYSA-N 1 2 321.218 3.490 20 10 DGCDLO Cc1ccc(C[N@H+](C)Cc2c(O)cccc2Br)nc1 ZINC000862339754 621575498 /nfs/dbraw/zinc/57/54/98/621575498.db2.gz GMALLDWYDPXXNV-UHFFFAOYSA-N 1 2 321.218 3.490 20 10 DGCDLO COc1cc(C[NH+]2CC3(C2)CCCO3)c(O)c(C(C)(C)C)c1 ZINC000862484436 621594864 /nfs/dbraw/zinc/59/48/64/621594864.db2.gz OSAKPDAMNLHJFE-UHFFFAOYSA-N 1 2 305.418 3.063 20 10 DGCDLO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)n1 ZINC000756374174 621632748 /nfs/dbraw/zinc/63/27/48/621632748.db2.gz YNNDTPYUFKYKSO-LBPRGKRZSA-N 1 2 309.360 3.225 20 10 DGCDLO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc(F)cc(F)c1O ZINC000756382915 621633403 /nfs/dbraw/zinc/63/34/03/621633403.db2.gz GTARAGMUOIZKLS-VFZGTOFNSA-N 1 2 311.303 3.194 20 10 DGCDLO C[C@H]([NH2+]CCc1cn2ccccc2n1)c1cc(F)cc(F)c1O ZINC000756391951 621634797 /nfs/dbraw/zinc/63/47/97/621634797.db2.gz IQADQFGNZWWSJE-NSHDSACASA-N 1 2 317.339 3.211 20 10 DGCDLO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(F)cc(F)c1O ZINC000756401569 621635424 /nfs/dbraw/zinc/63/54/24/621635424.db2.gz ITAYGSSMCHUELV-NSHDSACASA-N 1 2 321.371 3.097 20 10 DGCDLO C[C@@H]([NH2+]CCN1CCc2ccccc21)c1cc(F)cc(F)c1O ZINC000756483821 621641073 /nfs/dbraw/zinc/64/10/73/621641073.db2.gz RWUGOZRROCUYNJ-GFCCVEGCSA-N 1 2 318.367 3.384 20 10 DGCDLO CO[C@@H](C)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756525392 621644960 /nfs/dbraw/zinc/64/49/60/621644960.db2.gz BMDMUQLHOXXHDF-IUCAKERBSA-N 1 2 320.202 3.369 20 10 DGCDLO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756636304 621654750 /nfs/dbraw/zinc/65/47/50/621654750.db2.gz WSCURNSFWAEQOQ-WCQYABFASA-N 1 2 307.340 3.097 20 10 DGCDLO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756677175 621658437 /nfs/dbraw/zinc/65/84/37/621658437.db2.gz PZVGMFOMHLEBCX-BFVZDQMLSA-N 1 2 311.328 3.426 20 10 DGCDLO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756768978 621663207 /nfs/dbraw/zinc/66/32/07/621663207.db2.gz CGQRPFFYBUEEQF-MEBBXXQBSA-N 1 2 301.377 3.364 20 10 DGCDLO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756786127 621664296 /nfs/dbraw/zinc/66/42/96/621664296.db2.gz JPHRRQNISGAHNL-SNVBAGLBSA-N 1 2 323.387 3.304 20 10 DGCDLO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC000757865408 621743735 /nfs/dbraw/zinc/74/37/35/621743735.db2.gz GBWWKERSEQOXHU-JSGCOSHPSA-N 1 2 315.816 3.414 20 10 DGCDLO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC000757865408 621743737 /nfs/dbraw/zinc/74/37/37/621743737.db2.gz GBWWKERSEQOXHU-JSGCOSHPSA-N 1 2 315.816 3.414 20 10 DGCDLO Cc1nc(N[C@@H](C)Cc2ccc(O)c(O)c2)c2c([nH+]1)CCCC2 ZINC000762800620 622099562 /nfs/dbraw/zinc/09/95/62/622099562.db2.gz UDMQCTSQEPCDIE-NSHDSACASA-N 1 2 313.401 3.118 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cc(F)cc(F)c1O ZINC000866538273 622134596 /nfs/dbraw/zinc/13/45/96/622134596.db2.gz QAPIRWKRFLKUNT-WBIUFABUSA-N 1 2 311.372 3.384 20 10 DGCDLO CN(C)c1cc[nH+]c(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000766108462 622306763 /nfs/dbraw/zinc/30/67/63/622306763.db2.gz OHGNXSMOXNKYHC-UHFFFAOYSA-N 1 2 313.188 3.167 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCCSC1 ZINC000129238351 625561163 /nfs/dbraw/zinc/56/11/63/625561163.db2.gz GFAFSLNWTZBNOK-JTQLQIEISA-N 1 2 302.237 3.140 20 10 DGCDLO CC/C=C\CC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000767325764 622390601 /nfs/dbraw/zinc/39/06/01/622390601.db2.gz XIDSYUDKDUAZNR-PLNGDYQASA-N 1 2 311.809 3.377 20 10 DGCDLO CC/C=C\CC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000767325764 622390604 /nfs/dbraw/zinc/39/06/04/622390604.db2.gz XIDSYUDKDUAZNR-PLNGDYQASA-N 1 2 311.809 3.377 20 10 DGCDLO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cc(F)cc(F)c1O ZINC000768237335 622447278 /nfs/dbraw/zinc/44/72/78/622447278.db2.gz JOXGOCVYOZOOOZ-CWAOCDLLSA-N 1 2 309.356 3.279 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](CC(=O)OC)C(C)C)cc1F ZINC000768689762 622471644 /nfs/dbraw/zinc/47/16/44/622471644.db2.gz UYMUDTIXILKEKC-UHFFFAOYSA-N 1 2 310.413 3.055 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](CC(=O)OC)C(C)C)cc1F ZINC000768689762 622471645 /nfs/dbraw/zinc/47/16/45/622471645.db2.gz UYMUDTIXILKEKC-UHFFFAOYSA-N 1 2 310.413 3.055 20 10 DGCDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000769523392 622538089 /nfs/dbraw/zinc/53/80/89/622538089.db2.gz ANUVLONDPVFYRF-INIZCTEOSA-N 1 2 318.461 3.449 20 10 DGCDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000769523392 622538093 /nfs/dbraw/zinc/53/80/93/622538093.db2.gz ANUVLONDPVFYRF-INIZCTEOSA-N 1 2 318.461 3.449 20 10 DGCDLO C[C@@H](N1CC[NH+](Cc2c(O)cccc2Cl)CC1)C(F)(F)F ZINC000769554310 622540331 /nfs/dbraw/zinc/54/03/31/622540331.db2.gz NFVGKFQXTRFWFI-SNVBAGLBSA-N 1 2 322.758 3.114 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cc(F)cc(F)c1O ZINC000774377334 623137610 /nfs/dbraw/zinc/13/76/10/623137610.db2.gz FZXDNWQJEAUJRY-RISCZKNCSA-N 1 2 310.388 3.338 20 10 DGCDLO CC[N@H+](Cc1ncc(COC)s1)Cc1ccc(N(C)C)cc1 ZINC000775636864 623301387 /nfs/dbraw/zinc/30/13/87/623301387.db2.gz IIWXMWAMKPNYEN-UHFFFAOYSA-N 1 2 319.474 3.378 20 10 DGCDLO CC[N@@H+](Cc1ncc(COC)s1)Cc1ccc(N(C)C)cc1 ZINC000775636864 623301391 /nfs/dbraw/zinc/30/13/91/623301391.db2.gz IIWXMWAMKPNYEN-UHFFFAOYSA-N 1 2 319.474 3.378 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000775674438 623311341 /nfs/dbraw/zinc/31/13/41/623311341.db2.gz ARMWVOJQXXOQMM-ZDUSSCGKSA-N 1 2 309.772 3.218 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000775674438 623311346 /nfs/dbraw/zinc/31/13/46/623311346.db2.gz ARMWVOJQXXOQMM-ZDUSSCGKSA-N 1 2 309.772 3.218 20 10 DGCDLO CC(C)(C)C[N@H+](CCCO)Cc1cc(Cl)cc(F)c1O ZINC000775680231 623312126 /nfs/dbraw/zinc/31/21/26/623312126.db2.gz FMNTYUOSOWRTCW-UHFFFAOYSA-N 1 2 303.805 3.415 20 10 DGCDLO CC(C)(C)C[N@@H+](CCCO)Cc1cc(Cl)cc(F)c1O ZINC000775680231 623312132 /nfs/dbraw/zinc/31/21/32/623312132.db2.gz FMNTYUOSOWRTCW-UHFFFAOYSA-N 1 2 303.805 3.415 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000775724423 623319611 /nfs/dbraw/zinc/31/96/11/623319611.db2.gz CVFZJOJPBOYXSU-GFCCVEGCSA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000775724423 623319614 /nfs/dbraw/zinc/31/96/14/623319614.db2.gz CVFZJOJPBOYXSU-GFCCVEGCSA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCN1CCc2ccccc21 ZINC000776089453 623375287 /nfs/dbraw/zinc/37/52/87/623375287.db2.gz SAADZFICSZYZTL-UHFFFAOYSA-N 1 2 320.795 3.337 20 10 DGCDLO C[C@](O)(C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccsc1 ZINC000776208715 623397138 /nfs/dbraw/zinc/39/71/38/623397138.db2.gz KVERLOYYTUKFCC-AWEZNQCLSA-N 1 2 315.797 3.244 20 10 DGCDLO CCC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCOCC1 ZINC000776219387 623398597 /nfs/dbraw/zinc/39/85/97/623398597.db2.gz GITDANQUPLMPSH-UHFFFAOYSA-N 1 2 301.789 3.481 20 10 DGCDLO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000776254680 623402470 /nfs/dbraw/zinc/40/24/70/623402470.db2.gz KIPMYBUXMAKXIP-GXTWGEPZSA-N 1 2 301.789 3.478 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(C)cc2O)no1 ZINC000876628780 623663966 /nfs/dbraw/zinc/66/39/66/623663966.db2.gz VIEWRTCXAFYUOS-CQSZACIVSA-N 1 2 301.390 3.373 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@H+]2Cc2ccc(C)cc2O)no1 ZINC000876628780 623663967 /nfs/dbraw/zinc/66/39/67/623663967.db2.gz VIEWRTCXAFYUOS-CQSZACIVSA-N 1 2 301.390 3.373 20 10 DGCDLO Oc1ccc(F)cc1C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000779143496 623734407 /nfs/dbraw/zinc/73/44/07/623734407.db2.gz JQWDKRRZWSUGGH-UHFFFAOYSA-N 1 2 323.371 3.275 20 10 DGCDLO Oc1ccc(F)cc1C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000779143496 623734416 /nfs/dbraw/zinc/73/44/16/623734416.db2.gz JQWDKRRZWSUGGH-UHFFFAOYSA-N 1 2 323.371 3.275 20 10 DGCDLO CC[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000779210995 623742590 /nfs/dbraw/zinc/74/25/90/623742590.db2.gz XVQLHJQYMUQLNY-OAHLLOKOSA-N 1 2 301.789 3.169 20 10 DGCDLO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000779210995 623742595 /nfs/dbraw/zinc/74/25/95/623742595.db2.gz XVQLHJQYMUQLNY-OAHLLOKOSA-N 1 2 301.789 3.169 20 10 DGCDLO Cc1ccnc(C2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)n1 ZINC000877331844 623854787 /nfs/dbraw/zinc/85/47/87/623854787.db2.gz VNACOSJENFLJJQ-UHFFFAOYSA-N 1 2 319.355 3.148 20 10 DGCDLO Cn1cc(C(F)F)c(C[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000877733218 624007858 /nfs/dbraw/zinc/00/78/58/624007858.db2.gz PHSQHHIUBGBZFD-UHFFFAOYSA-N 1 2 319.714 3.146 20 10 DGCDLO COc1ccccc1[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000877754854 624021009 /nfs/dbraw/zinc/02/10/09/624021009.db2.gz VHOVCSPGTIMTGD-GOSISDBHSA-N 1 2 317.360 3.113 20 10 DGCDLO COc1ccccc1[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000877754854 624021010 /nfs/dbraw/zinc/02/10/10/624021010.db2.gz VHOVCSPGTIMTGD-GOSISDBHSA-N 1 2 317.360 3.113 20 10 DGCDLO CC(C)CC(=O)N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000877774877 624032470 /nfs/dbraw/zinc/03/24/70/624032470.db2.gz PITAUBGJHVPTNR-UHFFFAOYSA-N 1 2 324.852 3.126 20 10 DGCDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000877774877 624032473 /nfs/dbraw/zinc/03/24/73/624032473.db2.gz PITAUBGJHVPTNR-UHFFFAOYSA-N 1 2 324.852 3.126 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)[C@@H](C)[C@@H](C)O1 ZINC000783738883 624389949 /nfs/dbraw/zinc/38/99/49/624389949.db2.gz YHKIJZVYMDOLOE-OUAUKWLOSA-N 1 2 314.223 3.152 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)[C@@H](C)[C@@H](C)O1 ZINC000783738883 624389952 /nfs/dbraw/zinc/38/99/52/624389952.db2.gz YHKIJZVYMDOLOE-OUAUKWLOSA-N 1 2 314.223 3.152 20 10 DGCDLO CC[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1cccc(Cl)c1O ZINC000806149440 624410902 /nfs/dbraw/zinc/41/09/02/624410902.db2.gz SNCXOXWMWMEBDA-KWQFWETISA-N 1 2 311.731 3.400 20 10 DGCDLO CCOc1ccc([N@H+](CC[C@H]2CCOC2=O)CC2CC2)cc1 ZINC000879117222 624431036 /nfs/dbraw/zinc/43/10/36/624431036.db2.gz LWJGXBMGPRHJKZ-HNNXBMFYSA-N 1 2 303.402 3.255 20 10 DGCDLO CCOc1ccc([N@@H+](CC[C@H]2CCOC2=O)CC2CC2)cc1 ZINC000879117222 624431038 /nfs/dbraw/zinc/43/10/38/624431038.db2.gz LWJGXBMGPRHJKZ-HNNXBMFYSA-N 1 2 303.402 3.255 20 10 DGCDLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000785990116 624774806 /nfs/dbraw/zinc/77/48/06/624774806.db2.gz ZAUGHONHFSDMJY-RULNRJAQSA-N 1 2 301.789 3.166 20 10 DGCDLO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000785990116 624774809 /nfs/dbraw/zinc/77/48/09/624774809.db2.gz ZAUGHONHFSDMJY-RULNRJAQSA-N 1 2 301.789 3.166 20 10 DGCDLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000785990110 624775176 /nfs/dbraw/zinc/77/51/76/624775176.db2.gz ZAUGHONHFSDMJY-GPCCPHFNSA-N 1 2 301.789 3.166 20 10 DGCDLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000785990110 624775178 /nfs/dbraw/zinc/77/51/78/624775178.db2.gz ZAUGHONHFSDMJY-GPCCPHFNSA-N 1 2 301.789 3.166 20 10 DGCDLO C[C@@H](O)CCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000788604264 625225809 /nfs/dbraw/zinc/22/58/09/625225809.db2.gz JGIRTHKKNHAORR-BDAKNGLRSA-N 1 2 320.202 3.105 20 10 DGCDLO Cc1cc(C)c([C@H](C)Nc2ccc(N(C)CCO)c[nH+]2)c(O)c1 ZINC000788704159 625248084 /nfs/dbraw/zinc/24/80/84/625248084.db2.gz NBEFUTKTFKEZAV-AWEZNQCLSA-N 1 2 315.417 3.006 20 10 DGCDLO COc1nc(C)cc(C)c1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790955101 625721801 /nfs/dbraw/zinc/72/18/01/625721801.db2.gz JNIGCEWILZHUCW-UHFFFAOYSA-N 1 2 324.783 3.495 20 10 DGCDLO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790956131 625722192 /nfs/dbraw/zinc/72/21/92/625722192.db2.gz OHDKYFPGSCJGMT-NEPJUHHUSA-N 1 2 314.832 3.395 20 10 DGCDLO COc1cccc2c1CC[C@H]2[NH2+]Cc1cc(F)cc(F)c1O ZINC000883042343 625908342 /nfs/dbraw/zinc/90/83/42/625908342.db2.gz TZBNKZJFCWRRJU-OAHLLOKOSA-N 1 2 305.324 3.456 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000883177746 625956588 /nfs/dbraw/zinc/95/65/88/625956588.db2.gz HTGQWDFZCKOTAZ-PEGIJTEDSA-N 1 2 300.171 3.182 20 10 DGCDLO C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000799732132 626325763 /nfs/dbraw/zinc/32/57/63/626325763.db2.gz VKAAVDOJNYLGSX-WFASDCNBSA-N 1 2 321.367 3.315 20 10 DGCDLO CCCCN(Cc1ccccc1O)C(=O)c1cccc2[nH+]ccn21 ZINC000801549460 626409344 /nfs/dbraw/zinc/40/93/44/626409344.db2.gz OXSYVOGULJUTCE-UHFFFAOYSA-N 1 2 323.396 3.482 20 10 DGCDLO CCCC[N@H+](Cc1noc(C2CC2)n1)Cc1ccccc1O ZINC000801595199 626411365 /nfs/dbraw/zinc/41/13/65/626411365.db2.gz JCKMCBYNQURCID-UHFFFAOYSA-N 1 2 301.390 3.455 20 10 DGCDLO CCCC[N@@H+](Cc1noc(C2CC2)n1)Cc1ccccc1O ZINC000801595199 626411366 /nfs/dbraw/zinc/41/13/66/626411366.db2.gz JCKMCBYNQURCID-UHFFFAOYSA-N 1 2 301.390 3.455 20 10 DGCDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(Br)ccc1O ZINC000131503137 626646146 /nfs/dbraw/zinc/64/61/46/626646146.db2.gz XANRBDOJSYMPJW-GXFFZTMASA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]([NH2+]C[C@H](O)COCC(C)C)c1cccc(Cl)c1O ZINC000806133459 626700923 /nfs/dbraw/zinc/70/09/23/626700923.db2.gz NOLQMTUPXGJXKK-SWLSCSKDSA-N 1 2 315.841 3.120 20 10 DGCDLO CC[C@@H]([NH2+][C@@H](CCO)CSC)c1cccc(Cl)c1O ZINC000806139441 626701213 /nfs/dbraw/zinc/70/12/13/626701213.db2.gz AOHCBJOULBEIHJ-GXFFZTMASA-N 1 2 303.855 3.200 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000807329683 626754025 /nfs/dbraw/zinc/75/40/25/626754025.db2.gz CWUCVLMQMCJEKY-UHFFFAOYSA-N 1 2 305.381 3.472 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cc(F)cc(F)c1O ZINC000808721086 626853801 /nfs/dbraw/zinc/85/38/01/626853801.db2.gz HORBHWMZJKWCLH-MMPTUQATSA-N 1 2 307.340 3.443 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cc(F)cc(F)c1O ZINC000808727582 626854307 /nfs/dbraw/zinc/85/43/07/626854307.db2.gz JJLNVZNBXKPGBU-QWRGUYRKSA-N 1 2 305.324 3.497 20 10 DGCDLO COc1cc(C)cc(C[N@@H+]2Cc3ccc(C(C)=O)cc3C2)c1O ZINC000840174684 626912116 /nfs/dbraw/zinc/91/21/16/626912116.db2.gz NTDVEDQMMMUVLS-UHFFFAOYSA-N 1 2 311.381 3.428 20 10 DGCDLO COc1cc(C)cc(C[N@H+]2Cc3ccc(C(C)=O)cc3C2)c1O ZINC000840174684 626912118 /nfs/dbraw/zinc/91/21/18/626912118.db2.gz NTDVEDQMMMUVLS-UHFFFAOYSA-N 1 2 311.381 3.428 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1F ZINC000809693386 626937520 /nfs/dbraw/zinc/93/75/20/626937520.db2.gz UZZRTOXBHLHTBT-QGZVFWFLSA-N 1 2 302.397 3.342 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1F ZINC000809693386 626937524 /nfs/dbraw/zinc/93/75/24/626937524.db2.gz UZZRTOXBHLHTBT-QGZVFWFLSA-N 1 2 302.397 3.342 20 10 DGCDLO CCCN(CCC[NH+](C)C)Cc1c(O)ccc(Cl)c1F ZINC000809756275 626947414 /nfs/dbraw/zinc/94/74/14/626947414.db2.gz NDFIZRYMIQIZQV-UHFFFAOYSA-N 1 2 302.821 3.348 20 10 DGCDLO Cc1cccc2c1OC[C@H]([NH2+]Cc1cccc(Cl)c1O)C2 ZINC000811517923 627286047 /nfs/dbraw/zinc/28/60/47/627286047.db2.gz DIHDIMXKBPGFSP-CQSZACIVSA-N 1 2 303.789 3.447 20 10 DGCDLO CC(C)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1(CO)CCC1 ZINC000814171601 627545923 /nfs/dbraw/zinc/54/59/23/627545923.db2.gz RLESWEFIKJQDCK-HNNXBMFYSA-N 1 2 315.816 3.462 20 10 DGCDLO CC[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CCCC1 ZINC000816534491 627803580 /nfs/dbraw/zinc/80/35/80/627803580.db2.gz KOMCLJWQXABZTC-GFCCVEGCSA-N 1 2 300.805 3.149 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCNc1ccccn1 ZINC000816563094 627808338 /nfs/dbraw/zinc/80/83/38/627808338.db2.gz JSAYREVEFHJUTP-UHFFFAOYSA-N 1 2 309.772 3.172 20 10 DGCDLO Cc1ccc(C[N@H+](CCO)Cc2cc(Cl)c(F)cc2O)o1 ZINC000816596412 627812853 /nfs/dbraw/zinc/81/28/53/627812853.db2.gz ATWHGQDAPDLJEL-UHFFFAOYSA-N 1 2 313.756 3.081 20 10 DGCDLO Cc1ccc(C[N@@H+](CCO)Cc2cc(Cl)c(F)cc2O)o1 ZINC000816596412 627812855 /nfs/dbraw/zinc/81/28/55/627812855.db2.gz ATWHGQDAPDLJEL-UHFFFAOYSA-N 1 2 313.756 3.081 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000816592396 627812879 /nfs/dbraw/zinc/81/28/79/627812879.db2.gz IYGKSBSIJWRICK-ZDUSSCGKSA-N 1 2 312.816 3.291 20 10 DGCDLO CCCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816609602 627814296 /nfs/dbraw/zinc/81/42/96/627814296.db2.gz HCHXACCOEREWBS-LBPRGKRZSA-N 1 2 300.805 3.149 20 10 DGCDLO CC1(C)C[N@H+](Cc2cc(F)ccc2O)C[C@](C)(C(F)(F)F)O1 ZINC000816643127 627819302 /nfs/dbraw/zinc/81/93/02/627819302.db2.gz WAFLDOGEQBLFTE-CQSZACIVSA-N 1 2 321.314 3.463 20 10 DGCDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2O)C[C@](C)(C(F)(F)F)O1 ZINC000816643127 627819305 /nfs/dbraw/zinc/81/93/05/627819305.db2.gz WAFLDOGEQBLFTE-CQSZACIVSA-N 1 2 321.314 3.463 20 10 DGCDLO CC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817954020 627973404 /nfs/dbraw/zinc/97/34/04/627973404.db2.gz VCFDJVHRANPBHE-LBPRGKRZSA-N 1 2 303.233 3.492 20 10 DGCDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)s1 ZINC000818355875 628018010 /nfs/dbraw/zinc/01/80/10/628018010.db2.gz KJRJERYOXDVQRX-IUCAKERBSA-N 1 2 324.377 3.186 20 10 DGCDLO CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2nccn2C)c(O)c1 ZINC000824620410 628678238 /nfs/dbraw/zinc/67/82/38/628678238.db2.gz NLNHZNDLFUELPB-INIZCTEOSA-N 1 2 315.417 3.108 20 10 DGCDLO CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2nccn2C)c(O)c1 ZINC000824620410 628678240 /nfs/dbraw/zinc/67/82/40/628678240.db2.gz NLNHZNDLFUELPB-INIZCTEOSA-N 1 2 315.417 3.108 20 10 DGCDLO Cc1ncsc1CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824737488 628688257 /nfs/dbraw/zinc/68/82/57/628688257.db2.gz AXKHQMLMUXUWGH-UHFFFAOYSA-N 1 2 300.786 3.282 20 10 DGCDLO Cc1ccc(O)c(C[N@H+](C)Cc2csc(C(C)(C)O)n2)c1 ZINC000825154039 628733534 /nfs/dbraw/zinc/73/35/34/628733534.db2.gz YGYAPTQLHOCMDD-UHFFFAOYSA-N 1 2 306.431 3.017 20 10 DGCDLO Cc1ccc(O)c(C[N@@H+](C)Cc2csc(C(C)(C)O)n2)c1 ZINC000825154039 628733539 /nfs/dbraw/zinc/73/35/39/628733539.db2.gz YGYAPTQLHOCMDD-UHFFFAOYSA-N 1 2 306.431 3.017 20 10 DGCDLO Cc1cc(O)c(C[N@@H+](C)Cc2ncc(Cl)n2C)cc1Cl ZINC000825447501 628762558 /nfs/dbraw/zinc/76/25/58/628762558.db2.gz VLJYCZNHSFZGCI-UHFFFAOYSA-N 1 2 314.216 3.373 20 10 DGCDLO Cc1cc(O)c(C[N@H+](C)Cc2ncc(Cl)n2C)cc1Cl ZINC000825447501 628762560 /nfs/dbraw/zinc/76/25/60/628762560.db2.gz VLJYCZNHSFZGCI-UHFFFAOYSA-N 1 2 314.216 3.373 20 10 DGCDLO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000826791201 628887648 /nfs/dbraw/zinc/88/76/48/628887648.db2.gz TWXHBIUJRVOVPQ-GFCCVEGCSA-N 1 2 300.805 3.147 20 10 DGCDLO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000826867948 628897589 /nfs/dbraw/zinc/89/75/89/628897589.db2.gz NOYKSSCZRVPQAZ-GFCCVEGCSA-N 1 2 300.805 3.147 20 10 DGCDLO Cc1cc(C(=O)C[NH+]2[C@@H](C)C[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000829335278 629150675 /nfs/dbraw/zinc/15/06/75/629150675.db2.gz DWWRWJRUOVTJBN-RYUDHWBXSA-N 1 2 315.392 3.294 20 10 DGCDLO COc1ccc([N@H+](CCCc2nc(C)no2)CC2CC2)cc1 ZINC000831588260 629394262 /nfs/dbraw/zinc/39/42/62/629394262.db2.gz VAXIKAWTOSIQJS-UHFFFAOYSA-N 1 2 301.390 3.236 20 10 DGCDLO COc1ccc([N@@H+](CCCc2nc(C)no2)CC2CC2)cc1 ZINC000831588260 629394264 /nfs/dbraw/zinc/39/42/64/629394264.db2.gz VAXIKAWTOSIQJS-UHFFFAOYSA-N 1 2 301.390 3.236 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000835053549 629837516 /nfs/dbraw/zinc/83/75/16/629837516.db2.gz NWKVJINSAHYGNP-QGZUEGPWSA-N 1 2 310.388 3.122 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000835053549 629837518 /nfs/dbraw/zinc/83/75/18/629837518.db2.gz NWKVJINSAHYGNP-QGZUEGPWSA-N 1 2 310.388 3.122 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000840973025 630389377 /nfs/dbraw/zinc/38/93/77/630389377.db2.gz BVFLQMICGGEEEY-UHFFFAOYSA-N 1 2 313.785 3.203 20 10 DGCDLO c1cc(N2CCOCC2)ccc1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000841034404 630399903 /nfs/dbraw/zinc/39/99/03/630399903.db2.gz AEUQMFMXHIEGDZ-UHFFFAOYSA-N 1 2 323.440 3.493 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105261 630408547 /nfs/dbraw/zinc/40/85/47/630408547.db2.gz DOYILXSAFCVFAP-AWEZNQCLSA-N 1 2 301.217 3.027 20 10 DGCDLO OCC[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1F ZINC000843429323 630657370 /nfs/dbraw/zinc/65/73/70/630657370.db2.gz ARAVBRWNZMGSFT-OAHLLOKOSA-N 1 2 309.768 3.398 20 10 DGCDLO COc1cccc([C@H](C)[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000846159913 631212783 /nfs/dbraw/zinc/21/27/83/631212783.db2.gz NPJVSAGMACCBRU-SWLSCSKDSA-N 1 2 323.433 3.418 20 10 DGCDLO COc1cccc([C@@H](C)[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000846159911 631212786 /nfs/dbraw/zinc/21/27/86/631212786.db2.gz NPJVSAGMACCBRU-IUODEOHRSA-N 1 2 323.433 3.418 20 10 DGCDLO CCc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)OC[C@H]2C)c1O ZINC000848910153 631783268 /nfs/dbraw/zinc/78/32/68/631783268.db2.gz HJLYIEHNGQMZRY-ZWNOBZJWSA-N 1 2 303.324 3.106 20 10 DGCDLO CCc1cccc(C[N@H+]2C[C@H](C(F)(F)F)OC[C@H]2C)c1O ZINC000848910153 631783271 /nfs/dbraw/zinc/78/32/71/631783271.db2.gz HJLYIEHNGQMZRY-ZWNOBZJWSA-N 1 2 303.324 3.106 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848927828 631790529 /nfs/dbraw/zinc/79/05/29/631790529.db2.gz OIOMPURRZWRXIO-LSDHHAIUSA-N 1 2 312.816 3.291 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1cccc(Cl)c1O ZINC000850498829 632172558 /nfs/dbraw/zinc/17/25/58/632172558.db2.gz DQCRJYSSLHXFCY-TVYUQYBPSA-N 1 2 306.797 3.384 20 10 DGCDLO C[C@@H]([NH2+]Cc1ncccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000850551399 632190087 /nfs/dbraw/zinc/19/00/87/632190087.db2.gz HTYGMIRPJUWRKX-CQSZACIVSA-N 1 2 314.408 3.457 20 10 DGCDLO CC[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708098311 660918102 /nfs/dbraw/zinc/91/81/02/660918102.db2.gz HTGMKMYVKMYCBY-LBPRGKRZSA-N 1 2 322.630 3.059 20 10 DGCDLO COCC1([NH2+]Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708135234 660918358 /nfs/dbraw/zinc/91/83/58/660918358.db2.gz YHRLSEBVWPJMIC-UHFFFAOYSA-N 1 2 320.614 3.077 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000708351417 660920236 /nfs/dbraw/zinc/92/02/36/660920236.db2.gz XQCQPQMPBCZSGM-GXFFZTMASA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000708351417 660920239 /nfs/dbraw/zinc/92/02/39/660920239.db2.gz XQCQPQMPBCZSGM-GXFFZTMASA-N 1 2 314.223 3.154 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000793623101 661050623 /nfs/dbraw/zinc/05/06/23/661050623.db2.gz FQVLEVVWHFZVES-UHFFFAOYSA-N 1 2 314.719 3.332 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCCS1 ZINC000087473299 659214339 /nfs/dbraw/zinc/21/43/39/659214339.db2.gz CPHRVFNVOHGGJI-SNVBAGLBSA-N 1 2 302.237 3.140 20 10 DGCDLO C[N@@H+](Cc1cccc(Br)c1O)C[C@@H]1CCCOC1 ZINC000156029896 661857121 /nfs/dbraw/zinc/85/71/21/661857121.db2.gz KYGAUPPDKCTSQZ-NSHDSACASA-N 1 2 314.223 3.013 20 10 DGCDLO C[N@H+](Cc1cccc(Br)c1O)C[C@@H]1CCCOC1 ZINC000156029896 661857124 /nfs/dbraw/zinc/85/71/24/661857124.db2.gz KYGAUPPDKCTSQZ-NSHDSACASA-N 1 2 314.223 3.013 20 10 DGCDLO CCn1nccc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000156412036 661862778 /nfs/dbraw/zinc/86/27/78/661862778.db2.gz HZJQNDIBSRXDPD-UHFFFAOYSA-N 1 2 311.385 3.404 20 10 DGCDLO CCn1nccc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000156412036 661862781 /nfs/dbraw/zinc/86/27/81/661862781.db2.gz HZJQNDIBSRXDPD-UHFFFAOYSA-N 1 2 311.385 3.404 20 10 DGCDLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)c(C)n1-c1ccccn1 ZINC000078892712 662088694 /nfs/dbraw/zinc/08/86/94/662088694.db2.gz GYMQMGZZHVSQRY-UHFFFAOYSA-N 1 2 306.369 3.445 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@H](C)O1 ZINC000245559172 662236051 /nfs/dbraw/zinc/23/60/51/662236051.db2.gz LJWNGPQPPDATNA-ZWNOBZJWSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@@H](C)O1 ZINC000245559172 662236053 /nfs/dbraw/zinc/23/60/53/662236053.db2.gz LJWNGPQPPDATNA-ZWNOBZJWSA-N 1 2 314.223 3.154 20 10 DGCDLO CCC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000093508409 662356076 /nfs/dbraw/zinc/35/60/76/662356076.db2.gz GJDZUQVPRQACDP-ZDUSSCGKSA-N 1 2 314.223 3.156 20 10 DGCDLO CCC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000093508409 662356078 /nfs/dbraw/zinc/35/60/78/662356078.db2.gz GJDZUQVPRQACDP-ZDUSSCGKSA-N 1 2 314.223 3.156 20 10 DGCDLO OC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1c(F)cccc1F ZINC000921749920 685316358 /nfs/dbraw/zinc/31/63/58/685316358.db2.gz SCFURSJMMIMVBO-INIZCTEOSA-N 1 2 319.351 3.113 20 10 DGCDLO C[NH+](C)C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1O ZINC000133845815 1176994555 /nfs/dbraw/zinc/99/45/55/1176994555.db2.gz DBAUTOJJDSHYCY-LBPRGKRZSA-N 1 2 303.233 3.225 20 10 DGCDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC001332706047 1178477405 /nfs/dbraw/zinc/47/74/05/1178477405.db2.gz CHVQKTAVGPCVOJ-OAHLLOKOSA-N 1 2 307.344 3.131 20 10 DGCDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC001332706047 1178477407 /nfs/dbraw/zinc/47/74/07/1178477407.db2.gz CHVQKTAVGPCVOJ-OAHLLOKOSA-N 1 2 307.344 3.131 20 10 DGCDLO C[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccccc1[N+](=O)[O-] ZINC001462556588 1182969154 /nfs/dbraw/zinc/96/91/54/1182969154.db2.gz UYECWLQTQIEYGU-VIFPVBQESA-N 1 2 308.284 3.429 20 10 DGCDLO O=c1oc2ccc(C[NH2+]Cc3cccc(Cl)c3O)cc2o1 ZINC001560616181 1189348840 /nfs/dbraw/zinc/34/88/40/1189348840.db2.gz RRJNEXRILXEKKT-UHFFFAOYSA-N 1 2 305.717 3.035 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001657195286 1196116703 /nfs/dbraw/zinc/11/67/03/1196116703.db2.gz YQHOKLASSHJIQB-IUODEOHRSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001657195286 1196116705 /nfs/dbraw/zinc/11/67/05/1196116705.db2.gz YQHOKLASSHJIQB-IUODEOHRSA-N 1 2 316.367 3.213 20 10 DGCDLO Nc1ccc(Nc2cccc3c2C(=O)c2ccccc2C3=O)c[nH+]1 ZINC000019952094 1193784770 /nfs/dbraw/zinc/78/47/70/1193784770.db2.gz IOOUWVJSOGGFHF-UHFFFAOYSA-N 1 2 315.332 3.183 20 10 DGCDLO Cn1cc(CC[NH2+]Cc2cc(F)cc(F)c2O)c2ccccc21 ZINC001651338462 1195446412 /nfs/dbraw/zinc/44/64/12/1195446412.db2.gz UWAMGHKTIUFGNR-UHFFFAOYSA-N 1 2 316.351 3.494 20 10 DGCDLO COc1ccc(CCC[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC001656174229 1196014004 /nfs/dbraw/zinc/01/40/04/1196014004.db2.gz OJAJIQIFBZJJOZ-UHFFFAOYSA-N 1 2 307.340 3.401 20 10 DGCDLO C[N@H+](Cc1cc(F)cc(F)c1O)Cc1ccccc1[N+](=O)[O-] ZINC001657293570 1196128029 /nfs/dbraw/zinc/12/80/29/1196128029.db2.gz LZFBHKWDKZPNBV-UHFFFAOYSA-N 1 2 308.284 3.211 20 10 DGCDLO C[N@@H+](Cc1cc(F)cc(F)c1O)Cc1ccccc1[N+](=O)[O-] ZINC001657293570 1196128030 /nfs/dbraw/zinc/12/80/30/1196128030.db2.gz LZFBHKWDKZPNBV-UHFFFAOYSA-N 1 2 308.284 3.211 20 10 DGCDLO Oc1cc(Cl)ccc1CN1CC[NH+](Cc2cccs2)CC1 ZINC001657626487 1196161564 /nfs/dbraw/zinc/16/15/64/1196161564.db2.gz YOVKKBAYBRQSJB-UHFFFAOYSA-N 1 2 322.861 3.425 20 10 DGCDLO CCOCc1cc(C[NH2+][C@@H](C)c2nnc(C)s2)ccc1OC ZINC001657755853 1196175669 /nfs/dbraw/zinc/17/56/69/1196175669.db2.gz HBEHQZOXMKFGLU-NSHDSACASA-N 1 2 321.446 3.242 20 10 DGCDLO O=c1[nH]c2cccc(C[NH2+]Cc3cccc(Cl)c3O)c2o1 ZINC001658141205 1196217960 /nfs/dbraw/zinc/21/79/60/1196217960.db2.gz WVZYSJCADYKHKC-UHFFFAOYSA-N 1 2 304.733 3.182 20 10 DGCDLO Cc1noc([C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C(C)C)n1 ZINC001658193657 1196224266 /nfs/dbraw/zinc/22/42/66/1196224266.db2.gz KTTSJNCJULRPFR-MRXNPFEDSA-N 1 2 301.390 3.190 20 10 DGCDLO COc1ccnc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1F ZINC001658579700 1196275228 /nfs/dbraw/zinc/27/52/28/1196275228.db2.gz MXNVSDFVWRVDDH-UHFFFAOYSA-N 1 2 314.719 3.017 20 10 DGCDLO C[N@H+](CCOCc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001663795307 1196946163 /nfs/dbraw/zinc/94/61/63/1196946163.db2.gz TUKKVTNBBBFFBX-UHFFFAOYSA-N 1 2 307.340 3.319 20 10 DGCDLO C[N@@H+](CCOCc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001663795307 1196946168 /nfs/dbraw/zinc/94/61/68/1196946168.db2.gz TUKKVTNBBBFFBX-UHFFFAOYSA-N 1 2 307.340 3.319 20 10 DGCDLO C[C@@]1(CF)CC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233029138 1098206867 /nfs/dbraw/zinc/20/68/67/1098206867.db2.gz ZOEFUXGWDRKVMV-ZDUSSCGKSA-N 1 2 320.177 3.475 20 10 DGCDLO C[C@@]1(CF)CC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233029138 1098206872 /nfs/dbraw/zinc/20/68/72/1098206872.db2.gz ZOEFUXGWDRKVMV-ZDUSSCGKSA-N 1 2 320.177 3.475 20 10 DGCDLO Oc1c(Br)cccc1C[NH+]1CCC(F)(F)CC1 ZINC000404786200 1082733134 /nfs/dbraw/zinc/73/31/34/1082733134.db2.gz MBPIGGFGBOUVJB-UHFFFAOYSA-N 1 2 306.150 3.386 20 10 DGCDLO CC1(C)CC[C@H](CO)[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001183512146 1083965697 /nfs/dbraw/zinc/96/56/97/1083965697.db2.gz YXKWDGCAJLRSKA-GFCCVEGCSA-N 1 2 301.789 3.168 20 10 DGCDLO CC1(C)CC[C@H](CO)[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001183512146 1083965703 /nfs/dbraw/zinc/96/57/03/1083965703.db2.gz YXKWDGCAJLRSKA-GFCCVEGCSA-N 1 2 301.789 3.168 20 10 DGCDLO Cc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)cc1Br ZINC001250120526 1083991636 /nfs/dbraw/zinc/99/16/36/1083991636.db2.gz HDOHMAAWWATPCB-GAFUQQFSSA-N 1 2 314.198 3.253 20 10 DGCDLO Cc1cc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)cc1Br ZINC001250120526 1083991648 /nfs/dbraw/zinc/99/16/48/1083991648.db2.gz HDOHMAAWWATPCB-GAFUQQFSSA-N 1 2 314.198 3.253 20 10 DGCDLO Oc1cc(Cl)ccc1C[NH2+]CC(F)(F)C1(O)CCCCC1 ZINC001184277647 1084149368 /nfs/dbraw/zinc/14/93/68/1084149368.db2.gz LFWLLUBQPVDHTD-UHFFFAOYSA-N 1 2 319.779 3.466 20 10 DGCDLO C[N@H+](C1CC1)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC001203586889 1084171299 /nfs/dbraw/zinc/17/12/99/1084171299.db2.gz VKLSIJMJWAOWRC-ZDUSSCGKSA-N 1 2 315.244 3.368 20 10 DGCDLO C[N@@H+](C1CC1)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC001203586889 1084171304 /nfs/dbraw/zinc/17/13/04/1084171304.db2.gz VKLSIJMJWAOWRC-ZDUSSCGKSA-N 1 2 315.244 3.368 20 10 DGCDLO CC1(C)[C@@H]2C[N@@H+](Cc3c(O)cc(Br)cc3F)C[C@@H]21 ZINC001233032174 1087646137 /nfs/dbraw/zinc/64/61/37/1087646137.db2.gz VMWXWMKBWHKZEI-PHIMTYICSA-N 1 2 314.198 3.382 20 10 DGCDLO CC1(C)[C@@H]2C[N@H+](Cc3c(O)cc(Br)cc3F)C[C@@H]21 ZINC001233032174 1087646141 /nfs/dbraw/zinc/64/61/41/1087646141.db2.gz VMWXWMKBWHKZEI-PHIMTYICSA-N 1 2 314.198 3.382 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@](C)(C(F)F)O1 ZINC000698930095 1087708841 /nfs/dbraw/zinc/70/88/41/1087708841.db2.gz YRDBZNBOBKENDQ-YMTOWFKASA-N 1 2 305.752 3.290 20 10 DGCDLO Nc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cc1 ZINC001159170303 1088218183 /nfs/dbraw/zinc/21/81/83/1088218183.db2.gz JNEYEDPXTWDHNQ-UHFFFAOYSA-N 1 2 303.163 3.423 20 10 DGCDLO CC(=O)Nc1c(C)cc[nH+]c1N(C)Cc1ccc(N(C)C)cc1 ZINC001156921292 1089745657 /nfs/dbraw/zinc/74/56/57/1089745657.db2.gz WSDRPSNVESHYTI-UHFFFAOYSA-N 1 2 312.417 3.051 20 10 DGCDLO Oc1ccc(Br)cc1C[N@@H+]1CCc2cnccc2C1 ZINC001203636230 1090771368 /nfs/dbraw/zinc/77/13/68/1090771368.db2.gz QHISITUSFVSEPZ-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1ccc(Br)cc1C[N@H+]1CCc2cnccc2C1 ZINC001203636230 1090771374 /nfs/dbraw/zinc/77/13/74/1090771374.db2.gz QHISITUSFVSEPZ-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO CN(C)c1ccc(C[NH+]2CC(Oc3ccc(F)cc3)C2)cc1 ZINC001203937643 1090843843 /nfs/dbraw/zinc/84/38/43/1090843843.db2.gz IKCAEQDZQMWWDW-UHFFFAOYSA-N 1 2 300.377 3.155 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1cc(Cl)c(F)cc1O)CC(C)C ZINC001204187939 1090916874 /nfs/dbraw/zinc/91/68/74/1090916874.db2.gz LUQGMIKFCDJEPL-UHFFFAOYSA-N 1 2 317.788 3.206 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1cc(Cl)c(F)cc1O)CC(C)C ZINC001204187939 1090916879 /nfs/dbraw/zinc/91/68/79/1090916879.db2.gz LUQGMIKFCDJEPL-UHFFFAOYSA-N 1 2 317.788 3.206 20 10 DGCDLO Nc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC001204885161 1091054750 /nfs/dbraw/zinc/05/47/50/1091054750.db2.gz LSYFEYGWDHCNBV-QPJJXVBHSA-N 1 2 307.441 3.100 20 10 DGCDLO CSC1CC[NH+](Cc2c(O)ccc3c(C)cc(=O)oc32)CC1 ZINC001139128847 1091458471 /nfs/dbraw/zinc/45/84/71/1091458471.db2.gz GOKLUTBQFAGYJN-UHFFFAOYSA-N 1 2 319.426 3.134 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)CC1CCCC1 ZINC001139131625 1091459559 /nfs/dbraw/zinc/45/95/59/1091459559.db2.gz QFAOXNROIRPJHJ-UHFFFAOYSA-N 1 2 301.386 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)CC1CCCC1 ZINC001139131625 1091459564 /nfs/dbraw/zinc/45/95/64/1091459564.db2.gz QFAOXNROIRPJHJ-UHFFFAOYSA-N 1 2 301.386 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC001139129227 1091459759 /nfs/dbraw/zinc/45/97/59/1091459759.db2.gz RCNBVCZHEBUYLW-YPMHNXCESA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC001139129227 1091459764 /nfs/dbraw/zinc/45/97/64/1091459764.db2.gz RCNBVCZHEBUYLW-YPMHNXCESA-N 1 2 301.386 3.427 20 10 DGCDLO Oc1cc(F)c(F)cc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC001206376554 1091604679 /nfs/dbraw/zinc/60/46/79/1091604679.db2.gz IXEJBUSBEUTVLW-UHFFFAOYSA-N 1 2 305.328 3.278 20 10 DGCDLO Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139689765 1091643247 /nfs/dbraw/zinc/64/32/47/1091643247.db2.gz LXYGNSJWYTWGCX-GFCCVEGCSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139689765 1091643249 /nfs/dbraw/zinc/64/32/49/1091643249.db2.gz LXYGNSJWYTWGCX-GFCCVEGCSA-N 1 2 320.339 3.027 20 10 DGCDLO CCCN(C)CC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001206762614 1091728707 /nfs/dbraw/zinc/72/87/07/1091728707.db2.gz OOPWVLCGVQOLQO-UHFFFAOYSA-N 1 2 302.821 3.395 20 10 DGCDLO Oc1cc(Cl)ccc1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC001140465202 1091875560 /nfs/dbraw/zinc/87/55/60/1091875560.db2.gz HZZNSIWVRUZOPQ-UHFFFAOYSA-N 1 2 315.804 3.271 20 10 DGCDLO Oc1cc(Cl)ccc1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC001140465202 1091875566 /nfs/dbraw/zinc/87/55/66/1091875566.db2.gz HZZNSIWVRUZOPQ-UHFFFAOYSA-N 1 2 315.804 3.271 20 10 DGCDLO Oc1cc(F)cc(F)c1C[NH+]1CCC(c2cccnc2)CC1 ZINC001140584206 1091920690 /nfs/dbraw/zinc/92/06/90/1091920690.db2.gz JBVNQXXTWLGTEE-UHFFFAOYSA-N 1 2 304.340 3.445 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001142524992 1092494466 /nfs/dbraw/zinc/49/44/66/1092494466.db2.gz SGQNLFMWACSPOV-QGZVFWFLSA-N 1 2 305.324 3.244 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001142524992 1092494473 /nfs/dbraw/zinc/49/44/73/1092494473.db2.gz SGQNLFMWACSPOV-QGZVFWFLSA-N 1 2 305.324 3.244 20 10 DGCDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209518075 1092806179 /nfs/dbraw/zinc/80/61/79/1092806179.db2.gz MPBGTIXMRZWKSE-OAHLLOKOSA-N 1 2 300.402 3.087 20 10 DGCDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209518075 1092806187 /nfs/dbraw/zinc/80/61/87/1092806187.db2.gz MPBGTIXMRZWKSE-OAHLLOKOSA-N 1 2 300.402 3.087 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@@H](CC)CO1 ZINC000403837166 1094187652 /nfs/dbraw/zinc/18/76/52/1094187652.db2.gz CAEWWYBDAOAVNB-GJZGRUSLSA-N 1 2 309.381 3.123 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@@H](CC)CO1 ZINC000403837166 1094187654 /nfs/dbraw/zinc/18/76/54/1094187654.db2.gz CAEWWYBDAOAVNB-GJZGRUSLSA-N 1 2 309.381 3.123 20 10 DGCDLO CCCCCCc1nnc(C[NH2+]Cc2ccc(OC)cc2O)o1 ZINC001217717293 1094483057 /nfs/dbraw/zinc/48/30/57/1094483057.db2.gz AGUUXAPYCHPPOH-UHFFFAOYSA-N 1 2 319.405 3.196 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[NH+]1CCC(F)CC1 ZINC001144298967 1095592476 /nfs/dbraw/zinc/59/24/76/1095592476.db2.gz NDPVUGSQHKQYBT-UHFFFAOYSA-N 1 2 306.150 3.228 20 10 DGCDLO COC(C[N@H+](Cc1ccccc1)Cc1c(O)cccc1F)OC ZINC001137831535 1095755435 /nfs/dbraw/zinc/75/54/35/1095755435.db2.gz DCVKNORKRAPLEI-UHFFFAOYSA-N 1 2 319.376 3.152 20 10 DGCDLO COC(C[N@@H+](Cc1ccccc1)Cc1c(O)cccc1F)OC ZINC001137831535 1095755446 /nfs/dbraw/zinc/75/54/46/1095755446.db2.gz DCVKNORKRAPLEI-UHFFFAOYSA-N 1 2 319.376 3.152 20 10 DGCDLO C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c(O)cccc1F ZINC001137839197 1095761099 /nfs/dbraw/zinc/76/10/99/1095761099.db2.gz VUIYXTXPZOCACA-LSDHHAIUSA-N 1 2 306.425 3.370 20 10 DGCDLO C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1c(O)cccc1F ZINC001137839197 1095761111 /nfs/dbraw/zinc/76/11/11/1095761111.db2.gz VUIYXTXPZOCACA-LSDHHAIUSA-N 1 2 306.425 3.370 20 10 DGCDLO Cc1ccc(C[NH+]2CCN(Cc3cccc(F)c3O)CC2)cc1 ZINC001138127625 1095899127 /nfs/dbraw/zinc/89/91/27/1095899127.db2.gz IHSQPOQBYLAMGW-UHFFFAOYSA-N 1 2 314.404 3.158 20 10 DGCDLO COC(=O)c1[nH+]ccc(NCc2cc3ccccc3cc2O)c1C ZINC001171406625 1096676150 /nfs/dbraw/zinc/67/61/50/1096676150.db2.gz BIZPRJREPHLWFK-UHFFFAOYSA-N 1 2 322.364 3.069 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC001204096780 1097209208 /nfs/dbraw/zinc/20/92/08/1097209208.db2.gz KKIVXRXSFYXKTG-UHFFFAOYSA-N 1 2 322.408 3.451 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccc(O)cc2)C1 ZINC001204096780 1097209213 /nfs/dbraw/zinc/20/92/13/1097209213.db2.gz KKIVXRXSFYXKTG-UHFFFAOYSA-N 1 2 322.408 3.451 20 10 DGCDLO COc1cc(N(C)C)ccc1C[NH+]1CC(Oc2ccccc2)C1 ZINC001231853656 1097865244 /nfs/dbraw/zinc/86/52/44/1097865244.db2.gz NQBIMKJHHXTJQX-UHFFFAOYSA-N 1 2 312.413 3.024 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001231912537 1097889769 /nfs/dbraw/zinc/88/97/69/1097889769.db2.gz MAXNBPVTYRUQSL-AWEZNQCLSA-N 1 2 304.777 3.094 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001231912537 1097889773 /nfs/dbraw/zinc/88/97/73/1097889773.db2.gz MAXNBPVTYRUQSL-AWEZNQCLSA-N 1 2 304.777 3.094 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001231912579 1097891194 /nfs/dbraw/zinc/89/11/94/1097891194.db2.gz PDJLJARLMZYMAJ-ZDUSSCGKSA-N 1 2 303.736 3.046 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001231912579 1097891200 /nfs/dbraw/zinc/89/12/00/1097891200.db2.gz PDJLJARLMZYMAJ-ZDUSSCGKSA-N 1 2 303.736 3.046 20 10 DGCDLO CC[C@@H]1[N@H+](Cc2cccc(Cl)c2O)CCC[C@]12CCC(=O)N2 ZINC001231911533 1097891291 /nfs/dbraw/zinc/89/12/91/1097891291.db2.gz NGSHIFRXJFDQND-YOEHRIQHSA-N 1 2 322.836 3.069 20 10 DGCDLO CC[C@@H]1[N@@H+](Cc2cccc(Cl)c2O)CCC[C@]12CCC(=O)N2 ZINC001231911533 1097891295 /nfs/dbraw/zinc/89/12/95/1097891295.db2.gz NGSHIFRXJFDQND-YOEHRIQHSA-N 1 2 322.836 3.069 20 10 DGCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@H]1Cc2ccccc2O1 ZINC001231913572 1097891992 /nfs/dbraw/zinc/89/19/92/1097891992.db2.gz NIANNWFEFRLFEL-CQSZACIVSA-N 1 2 303.789 3.481 20 10 DGCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@H]1Cc2ccccc2O1 ZINC001231913572 1097891999 /nfs/dbraw/zinc/89/19/99/1097891999.db2.gz NIANNWFEFRLFEL-CQSZACIVSA-N 1 2 303.789 3.481 20 10 DGCDLO C[N@H+](Cc1cnc(Cl)s1)Cc1cc(Cl)c(O)cc1O ZINC001232259009 1097985379 /nfs/dbraw/zinc/98/53/79/1097985379.db2.gz GUPJVKYMXTVCCG-UHFFFAOYSA-N 1 2 319.213 3.493 20 10 DGCDLO C[N@@H+](Cc1cnc(Cl)s1)Cc1cc(Cl)c(O)cc1O ZINC001232259009 1097985386 /nfs/dbraw/zinc/98/53/86/1097985386.db2.gz GUPJVKYMXTVCCG-UHFFFAOYSA-N 1 2 319.213 3.493 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)ccc(F)c1F ZINC001233074827 1098219555 /nfs/dbraw/zinc/21/95/55/1098219555.db2.gz XRWHFGPIDLHDPV-LBPRGKRZSA-N 1 2 313.241 3.394 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)ccc(F)c1F ZINC001233074827 1098219558 /nfs/dbraw/zinc/21/95/58/1098219558.db2.gz XRWHFGPIDLHDPV-LBPRGKRZSA-N 1 2 313.241 3.394 20 10 DGCDLO Cc1cccc(N2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)c1 ZINC001233073913 1098219585 /nfs/dbraw/zinc/21/95/85/1098219585.db2.gz GNEKJDQPFYLSDR-UHFFFAOYSA-N 1 2 318.367 3.301 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)ccc(F)c1F ZINC001233077316 1098219632 /nfs/dbraw/zinc/21/96/32/1098219632.db2.gz INRSZIVZXORKIY-AWEZNQCLSA-N 1 2 305.324 3.324 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)ccc(F)c1F ZINC001233077316 1098219636 /nfs/dbraw/zinc/21/96/36/1098219636.db2.gz INRSZIVZXORKIY-AWEZNQCLSA-N 1 2 305.324 3.324 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1O ZINC001233287274 1098276009 /nfs/dbraw/zinc/27/60/09/1098276009.db2.gz FPIMMAJXRRRSNK-ZIAGYGMSSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1O ZINC001233287274 1098276014 /nfs/dbraw/zinc/27/60/14/1098276014.db2.gz FPIMMAJXRRRSNK-ZIAGYGMSSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCc3ccncc3C2)c1O ZINC001233290099 1098277618 /nfs/dbraw/zinc/27/76/18/1098277618.db2.gz JGYDQDLCPQHMPS-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCc3ccncc3C2)c1O ZINC001233290099 1098277621 /nfs/dbraw/zinc/27/76/21/1098277621.db2.gz JGYDQDLCPQHMPS-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001233334324 1098292435 /nfs/dbraw/zinc/29/24/35/1098292435.db2.gz BTHAAMOBICKTQC-CQSZACIVSA-N 1 2 319.351 3.462 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001233334324 1098292438 /nfs/dbraw/zinc/29/24/38/1098292438.db2.gz BTHAAMOBICKTQC-CQSZACIVSA-N 1 2 319.351 3.462 20 10 DGCDLO Oc1c(C[NH+]2CC3(C2)C[C@H](F)CS3)cccc1C(F)(F)F ZINC001233419318 1098325816 /nfs/dbraw/zinc/32/58/16/1098325816.db2.gz TVMYPBJSCXKWJP-JTQLQIEISA-N 1 2 321.339 3.440 20 10 DGCDLO C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCC[C@@H](C)C1 ZINC001177262680 1098509188 /nfs/dbraw/zinc/50/91/88/1098509188.db2.gz XEWJEDAFFXUPMJ-NEPJUHHUSA-N 1 2 314.832 3.395 20 10 DGCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001236790623 1099788135 /nfs/dbraw/zinc/78/81/35/1099788135.db2.gz RMYMVFBKANAHJB-OTYXRUKQSA-N 1 2 302.201 3.310 20 10 DGCDLO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001236790623 1099788142 /nfs/dbraw/zinc/78/81/42/1099788142.db2.gz RMYMVFBKANAHJB-OTYXRUKQSA-N 1 2 302.201 3.310 20 10 DGCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC001236800647 1099794954 /nfs/dbraw/zinc/79/49/54/1099794954.db2.gz XCMRABUBIQAQAA-UHFFFAOYSA-N 1 2 318.200 3.038 20 10 DGCDLO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CCCC2(C1)OCCO2 ZINC001236800647 1099794962 /nfs/dbraw/zinc/79/49/62/1099794962.db2.gz XCMRABUBIQAQAA-UHFFFAOYSA-N 1 2 318.200 3.038 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2cccnc2C)c(O)c1Cl ZINC001236807167 1099799279 /nfs/dbraw/zinc/79/92/79/1099799279.db2.gz GUQYFCOBSUNWSK-UHFFFAOYSA-N 1 2 306.793 3.390 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2cccnc2C)c(O)c1Cl ZINC001236807167 1099799282 /nfs/dbraw/zinc/79/92/82/1099799282.db2.gz GUQYFCOBSUNWSK-UHFFFAOYSA-N 1 2 306.793 3.390 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ncccn2)c(Cl)c1 ZINC001236806294 1099801050 /nfs/dbraw/zinc/80/10/50/1099801050.db2.gz UGFVEMLSERPWBS-AWEZNQCLSA-N 1 2 319.792 3.181 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2ncccn2)c(Cl)c1 ZINC001236806294 1099801058 /nfs/dbraw/zinc/80/10/58/1099801058.db2.gz UGFVEMLSERPWBS-AWEZNQCLSA-N 1 2 319.792 3.181 20 10 DGCDLO C[C@]1(CO)CC(F)(F)C[N@@H+]1Cc1cc2ccccc2cc1O ZINC001236827133 1099810811 /nfs/dbraw/zinc/81/08/11/1099810811.db2.gz PSQUMXCWLIANFL-MRXNPFEDSA-N 1 2 307.340 3.137 20 10 DGCDLO C[C@]1(CO)CC(F)(F)C[N@H+]1Cc1cc2ccccc2cc1O ZINC001236827133 1099810823 /nfs/dbraw/zinc/81/08/23/1099810823.db2.gz PSQUMXCWLIANFL-MRXNPFEDSA-N 1 2 307.340 3.137 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2C[C@@H](F)C[C@H]2C)c(Br)c1 ZINC001237066157 1099953203 /nfs/dbraw/zinc/95/32/03/1099953203.db2.gz SYNQXMDGLCOUHV-BDAKNGLRSA-N 1 2 318.186 3.096 20 10 DGCDLO COc1cc(O)c(C[N@H+]2C[C@@H](F)C[C@H]2C)c(Br)c1 ZINC001237066157 1099953210 /nfs/dbraw/zinc/95/32/10/1099953210.db2.gz SYNQXMDGLCOUHV-BDAKNGLRSA-N 1 2 318.186 3.096 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@]1(C)O ZINC001237618418 1100190080 /nfs/dbraw/zinc/19/00/80/1100190080.db2.gz ZZMBQUXQPCYQQQ-MEBBXXQBSA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@]1(C)O ZINC001237618418 1100190083 /nfs/dbraw/zinc/19/00/83/1100190083.db2.gz ZZMBQUXQPCYQQQ-MEBBXXQBSA-N 1 2 301.789 3.168 20 10 DGCDLO COc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(Cl)n1 ZINC001237798363 1100249838 /nfs/dbraw/zinc/24/98/38/1100249838.db2.gz JODRLYIRUAZCIF-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1ccc(C[N@H+]2CCc3cccc(O)c3C2)c(Cl)n1 ZINC001237798363 1100249846 /nfs/dbraw/zinc/24/98/46/1100249846.db2.gz JODRLYIRUAZCIF-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO C[C@@]1(CO)CCC[N@H+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237808104 1100253554 /nfs/dbraw/zinc/25/35/54/1100253554.db2.gz QPPYDUCNNZIDHE-OAHLLOKOSA-N 1 2 301.789 3.169 20 10 DGCDLO C[C@@]1(CO)CCC[N@@H+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237808104 1100253561 /nfs/dbraw/zinc/25/35/61/1100253561.db2.gz QPPYDUCNNZIDHE-OAHLLOKOSA-N 1 2 301.789 3.169 20 10 DGCDLO Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237950600 1100300738 /nfs/dbraw/zinc/30/07/38/1100300738.db2.gz XJBZWVUSTHSJSP-CYBMUJFWSA-N 1 2 321.726 3.185 20 10 DGCDLO Oc1cc(Cl)c(F)cc1C[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237950600 1100300740 /nfs/dbraw/zinc/30/07/40/1100300740.db2.gz XJBZWVUSTHSJSP-CYBMUJFWSA-N 1 2 321.726 3.185 20 10 DGCDLO Cc1cc(F)cc(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1O ZINC001238062931 1100346526 /nfs/dbraw/zinc/34/65/26/1100346526.db2.gz UVSLOOWMVMTJJH-SFHVURJKSA-N 1 2 314.404 3.328 20 10 DGCDLO Cc1cc(F)cc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)c1O ZINC001238062931 1100346537 /nfs/dbraw/zinc/34/65/37/1100346537.db2.gz UVSLOOWMVMTJJH-SFHVURJKSA-N 1 2 314.404 3.328 20 10 DGCDLO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1c(N)ccnc1F ZINC001238157979 1100376563 /nfs/dbraw/zinc/37/65/63/1100376563.db2.gz ZSMLOXYCOUISOS-UHFFFAOYSA-N 1 2 314.408 3.035 20 10 DGCDLO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1c(N)ccnc1F ZINC001238157979 1100376570 /nfs/dbraw/zinc/37/65/70/1100376570.db2.gz ZSMLOXYCOUISOS-UHFFFAOYSA-N 1 2 314.408 3.035 20 10 DGCDLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001196887131 1101413956 /nfs/dbraw/zinc/41/39/56/1101413956.db2.gz FWACKQCCARECAJ-QMTHXVAHSA-N 1 2 311.809 3.248 20 10 DGCDLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001196887131 1101413970 /nfs/dbraw/zinc/41/39/70/1101413970.db2.gz FWACKQCCARECAJ-QMTHXVAHSA-N 1 2 311.809 3.248 20 10 DGCDLO C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCC(C)CC1 ZINC001199850692 1102223867 /nfs/dbraw/zinc/22/38/67/1102223867.db2.gz HVNBKUSQUWORNK-GFCCVEGCSA-N 1 2 314.832 3.395 20 10 DGCDLO Nc1ccc(OC(=O)c2ccc(Nc3ccc(N)[nH+]c3)cc2)cc1 ZINC001201291822 1102540166 /nfs/dbraw/zinc/54/01/66/1102540166.db2.gz DHWFFIHUVYGIDX-UHFFFAOYSA-N 1 2 320.352 3.209 20 10 DGCDLO Oc1cc(F)cc(F)c1CN1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001275307024 1104716539 /nfs/dbraw/zinc/71/65/39/1104716539.db2.gz WCKQGTVRQYYDHA-YVEFUNNKSA-N 1 2 322.399 3.119 20 10 DGCDLO Oc1cc(F)cc(F)c1CN1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001275307024 1104716544 /nfs/dbraw/zinc/71/65/44/1104716544.db2.gz WCKQGTVRQYYDHA-YVEFUNNKSA-N 1 2 322.399 3.119 20 10 DGCDLO Oc1c(F)ccc(F)c1CN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275362506 1104737841 /nfs/dbraw/zinc/73/78/41/1104737841.db2.gz MSPFFYMHDRYWTJ-UHFFFAOYSA-N 1 2 322.399 3.121 20 10 DGCDLO Oc1c(F)ccc(F)c1CN1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001275362506 1104737845 /nfs/dbraw/zinc/73/78/45/1104737845.db2.gz MSPFFYMHDRYWTJ-UHFFFAOYSA-N 1 2 322.399 3.121 20 10 DGCDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cc(F)c(F)cc2O)cc1 ZINC001308602030 1111450122 /nfs/dbraw/zinc/45/01/22/1111450122.db2.gz QRFNTXMWCOGPCN-UHFFFAOYSA-N 1 2 320.339 3.049 20 10 DGCDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cc(F)c(F)cc2O)cc1 ZINC001308602030 1111450123 /nfs/dbraw/zinc/45/01/23/1111450123.db2.gz QRFNTXMWCOGPCN-UHFFFAOYSA-N 1 2 320.339 3.049 20 10 DGCDLO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2O)o1 ZINC000179562315 432062856 /nfs/dbraw/zinc/06/28/56/432062856.db2.gz UFQHAXTYXLHSDG-QGZVFWFLSA-N 1 2 321.380 3.383 20 10 DGCDLO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2O)o1 ZINC000179562315 432062858 /nfs/dbraw/zinc/06/28/58/432062858.db2.gz UFQHAXTYXLHSDG-QGZVFWFLSA-N 1 2 321.380 3.383 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2cccc(Cl)c2O)cc1O ZINC000179832482 432072032 /nfs/dbraw/zinc/07/20/32/432072032.db2.gz SHDKBBLGMSPTRW-UHFFFAOYSA-N 1 2 307.777 3.392 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2cccc(Cl)c2O)cc1O ZINC000179832482 432072033 /nfs/dbraw/zinc/07/20/33/432072033.db2.gz SHDKBBLGMSPTRW-UHFFFAOYSA-N 1 2 307.777 3.392 20 10 DGCDLO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000277003709 295982044 /nfs/dbraw/zinc/98/20/44/295982044.db2.gz ZRLQQMIEFBPYIM-YUMQZZPRSA-N 1 2 313.266 3.288 20 10 DGCDLO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2c2ccc(C)o2)c1O ZINC000093459817 193255503 /nfs/dbraw/zinc/25/55/03/193255503.db2.gz RHHWDQIHDBOKOI-OAHLLOKOSA-N 1 2 317.385 3.266 20 10 DGCDLO CCOc1cccc(C[N@H+]2CCOC[C@@H]2c2ccc(C)o2)c1O ZINC000093459817 193255504 /nfs/dbraw/zinc/25/55/04/193255504.db2.gz RHHWDQIHDBOKOI-OAHLLOKOSA-N 1 2 317.385 3.266 20 10 DGCDLO CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000042423871 183268412 /nfs/dbraw/zinc/26/84/12/183268412.db2.gz AYCITAFVOIDFKU-CQSZACIVSA-N 1 2 311.809 3.249 20 10 DGCDLO CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000042423871 183268415 /nfs/dbraw/zinc/26/84/15/183268415.db2.gz AYCITAFVOIDFKU-CQSZACIVSA-N 1 2 311.809 3.249 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000378517112 285380544 /nfs/dbraw/zinc/38/05/44/285380544.db2.gz JCKWPLAOWBOJJB-QGZVFWFLSA-N 1 2 321.779 3.278 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000378517112 285380546 /nfs/dbraw/zinc/38/05/46/285380546.db2.gz JCKWPLAOWBOJJB-QGZVFWFLSA-N 1 2 321.779 3.278 20 10 DGCDLO COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273386001 130114248 /nfs/dbraw/zinc/11/42/48/130114248.db2.gz JLXMQKMZMNCMOF-LLVKDONJSA-N 1 2 302.330 3.160 20 10 DGCDLO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(F)cc1O ZINC000273512994 130130327 /nfs/dbraw/zinc/13/03/27/130130327.db2.gz RZNLSGQAPVHSGM-YMTOWFKASA-N 1 2 311.303 3.194 20 10 DGCDLO CCC[C@@](C)([NH2+]Cc1ccc(OC)c(COCC)c1)C(=O)OC ZINC000273914546 130185996 /nfs/dbraw/zinc/18/59/96/130185996.db2.gz YIASKIVEOOXOPX-GOSISDBHSA-N 1 2 323.433 3.053 20 10 DGCDLO CC[C@@H]([NH2+]CCCOCCO)c1cc(Cl)cc(Cl)c1O ZINC000287601314 131288871 /nfs/dbraw/zinc/28/88/71/131288871.db2.gz IPGJJEWAFGCUHL-CYBMUJFWSA-N 1 2 322.232 3.139 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1cccc(Cl)c1O ZINC000287724841 131296415 /nfs/dbraw/zinc/29/64/15/131296415.db2.gz OSZUXXUOGSQDHH-RISCZKNCSA-N 1 2 310.825 3.096 20 10 DGCDLO CC[C@H]([NH2+]CC1CCN(C(C)=O)CC1)c1cccc(Cl)c1O ZINC000287568794 288038677 /nfs/dbraw/zinc/03/86/77/288038677.db2.gz GPHXIGGTZXJVOZ-INIZCTEOSA-N 1 2 324.852 3.345 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2scnc2C)c1O ZINC000111671739 431233604 /nfs/dbraw/zinc/23/36/04/431233604.db2.gz GCFXAZMNAZVIFR-UHFFFAOYSA-N 1 2 308.378 3.131 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2scnc2C)c1O ZINC000111671739 431233610 /nfs/dbraw/zinc/23/36/10/431233610.db2.gz GCFXAZMNAZVIFR-UHFFFAOYSA-N 1 2 308.378 3.131 20 10 DGCDLO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000038013744 431853267 /nfs/dbraw/zinc/85/32/67/431853267.db2.gz UNXAHMRMTSXXSQ-VIFPVBQESA-N 1 2 319.232 3.093 20 10 DGCDLO Oc1cc2c(cc1C[N@@H+]1CCc3c4ccccc4[nH]c3C1)OCO2 ZINC000093759005 431917854 /nfs/dbraw/zinc/91/78/54/431917854.db2.gz XPRYJQIZATZGJM-UHFFFAOYSA-N 1 2 322.364 3.161 20 10 DGCDLO Oc1cc2c(cc1C[N@H+]1CCc3c4ccccc4[nH]c3C1)OCO2 ZINC000093759005 431917856 /nfs/dbraw/zinc/91/78/56/431917856.db2.gz XPRYJQIZATZGJM-UHFFFAOYSA-N 1 2 322.364 3.161 20 10 DGCDLO CC1([C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)OCCO1 ZINC000183239404 432272568 /nfs/dbraw/zinc/27/25/68/432272568.db2.gz SCZOSZFJFGQSFM-ZDUSSCGKSA-N 1 2 311.809 3.021 20 10 DGCDLO CC1([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)OCCO1 ZINC000183239404 432272569 /nfs/dbraw/zinc/27/25/69/432272569.db2.gz SCZOSZFJFGQSFM-ZDUSSCGKSA-N 1 2 311.809 3.021 20 10 DGCDLO CC1([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)OCCO1 ZINC000183239381 432272846 /nfs/dbraw/zinc/27/28/46/432272846.db2.gz SCZOSZFJFGQSFM-CYBMUJFWSA-N 1 2 311.809 3.021 20 10 DGCDLO CC1([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)OCCO1 ZINC000183239381 432272850 /nfs/dbraw/zinc/27/28/50/432272850.db2.gz SCZOSZFJFGQSFM-CYBMUJFWSA-N 1 2 311.809 3.021 20 10 DGCDLO C[C@](O)(C[NH2+]Cc1cccc(Cl)c1O)c1ccc(F)cc1 ZINC000271801710 432423823 /nfs/dbraw/zinc/42/38/23/432423823.db2.gz JBOTYVGKNHNZBL-INIZCTEOSA-N 1 2 309.768 3.182 20 10 DGCDLO COCC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000273409194 432595497 /nfs/dbraw/zinc/59/54/97/432595497.db2.gz HMLVJEMAQVGPDV-BXUZGUMPSA-N 1 2 320.345 3.322 20 10 DGCDLO COC[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)OC ZINC000273455805 432600535 /nfs/dbraw/zinc/60/05/35/432600535.db2.gz PLUFLNBCGVPDSK-DTWKUNHWSA-N 1 2 308.205 3.011 20 10 DGCDLO Oc1ccc(F)cc1C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000186662906 432619835 /nfs/dbraw/zinc/61/98/35/432619835.db2.gz OIUKRYUSRVIOKE-LBPRGKRZSA-N 1 2 310.419 3.278 20 10 DGCDLO CC1(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2O)CC[C@H]1O ZINC000276108545 432773539 /nfs/dbraw/zinc/77/35/39/432773539.db2.gz ZUELAGZGJPWHMH-GFCCVEGCSA-N 1 2 304.217 3.292 20 10 DGCDLO CC1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2O)CC[C@H]1O ZINC000276108545 432773540 /nfs/dbraw/zinc/77/35/40/432773540.db2.gz ZUELAGZGJPWHMH-GFCCVEGCSA-N 1 2 304.217 3.292 20 10 DGCDLO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1O ZINC000276858224 432826603 /nfs/dbraw/zinc/82/66/03/432826603.db2.gz CFIHLWBCGZELHX-SNVBAGLBSA-N 1 2 322.311 3.472 20 10 DGCDLO Cc1nnc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2O)s1 ZINC000289679712 432971061 /nfs/dbraw/zinc/97/10/61/432971061.db2.gz CKETWXMFUARPFY-UHFFFAOYSA-N 1 2 318.229 3.191 20 10 DGCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](CC)c2ccccc2O)no1 ZINC000290140799 432999662 /nfs/dbraw/zinc/99/96/62/432999662.db2.gz KQIUWMQZFADWPY-YPMHNXCESA-N 1 2 305.378 3.114 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)c1O ZINC000375358932 433441211 /nfs/dbraw/zinc/44/12/11/433441211.db2.gz ZDCQMYRNLVNSIV-LBPRGKRZSA-N 1 2 307.781 3.114 20 10 DGCDLO CCC[N@H+](Cc1nnc(C(C)(C)C)[nH]1)Cc1ccccc1O ZINC000292600465 433582271 /nfs/dbraw/zinc/58/22/71/433582271.db2.gz LEOJKDQBVZZHDQ-UHFFFAOYSA-N 1 2 302.422 3.220 20 10 DGCDLO CCC[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)Cc1ccccc1O ZINC000292600465 433582280 /nfs/dbraw/zinc/58/22/80/433582280.db2.gz LEOJKDQBVZZHDQ-UHFFFAOYSA-N 1 2 302.422 3.220 20 10 DGCDLO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000282978238 433643926 /nfs/dbraw/zinc/64/39/26/433643926.db2.gz JBCDKNDBTDIGPT-INIZCTEOSA-N 1 2 305.805 3.486 20 10 DGCDLO CN(C)c1ccc(CNc2cc(NCC3CC3)[nH+]cn2)cc1F ZINC000301834642 433749721 /nfs/dbraw/zinc/74/97/21/433749721.db2.gz SXFLQSSOWGITNF-UHFFFAOYSA-N 1 2 315.396 3.116 20 10 DGCDLO CN(C)c1ccc(CNc2cc(NCC3CC3)nc[nH+]2)cc1F ZINC000301834642 433749731 /nfs/dbraw/zinc/74/97/31/433749731.db2.gz SXFLQSSOWGITNF-UHFFFAOYSA-N 1 2 315.396 3.116 20 10 DGCDLO COc1cc(O)c(C[N@H+](C)Cc2c(F)cccc2F)cc1OC ZINC000293526136 433769925 /nfs/dbraw/zinc/76/99/25/433769925.db2.gz BKIJRGXKAFQCFM-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO COc1cc(O)c(C[N@@H+](C)Cc2c(F)cccc2F)cc1OC ZINC000293526136 433769934 /nfs/dbraw/zinc/76/99/34/433769934.db2.gz BKIJRGXKAFQCFM-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO C[C@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000293636718 433810719 /nfs/dbraw/zinc/81/07/19/433810719.db2.gz NPCYLUCRXTVUGS-QWRGUYRKSA-N 1 2 301.789 3.480 20 10 DGCDLO COc1ccc([NH+]2CCC(Nc3cccc(CO)c3)CC2)cc1 ZINC000376999372 433845360 /nfs/dbraw/zinc/84/53/60/433845360.db2.gz GTQOSEBAUKMKFX-UHFFFAOYSA-N 1 2 312.413 3.268 20 10 DGCDLO Cn1cc[nH+]c1[C@@H]1N(Cc2c(O)cccc2Cl)CC1(C)C ZINC000294700754 434128040 /nfs/dbraw/zinc/12/80/40/434128040.db2.gz CZQGWBPRVHVOLN-AWEZNQCLSA-N 1 2 305.809 3.362 20 10 DGCDLO CC[C@@H]([NH2+]CCC1(O)CCOCC1)c1cccc(Cl)c1O ZINC000287108522 434305425 /nfs/dbraw/zinc/30/54/25/434305425.db2.gz QKNYQRHMDUTZQP-CQSZACIVSA-N 1 2 313.825 3.018 20 10 DGCDLO CC[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)c1cccc(Cl)c1O ZINC000287568801 434397330 /nfs/dbraw/zinc/39/73/30/434397330.db2.gz GPHXIGGTZXJVOZ-MRXNPFEDSA-N 1 2 324.852 3.345 20 10 DGCDLO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(F)c(F)c1O ZINC000187732109 333236891 /nfs/dbraw/zinc/23/68/91/333236891.db2.gz PCCUHWDRGKKCFL-PSLIRLAXSA-N 1 2 313.369 3.290 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+](Cc2cccnc2)C2CC2)c1O ZINC000180724753 518282695 /nfs/dbraw/zinc/28/26/95/518282695.db2.gz KQBXARZPPSVRSZ-UHFFFAOYSA-N 1 2 314.360 3.294 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+](Cc2cccnc2)C2CC2)c1O ZINC000180724753 518282703 /nfs/dbraw/zinc/28/27/03/518282703.db2.gz KQBXARZPPSVRSZ-UHFFFAOYSA-N 1 2 314.360 3.294 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccccn2)C2CC2)c1O ZINC000180855759 518283513 /nfs/dbraw/zinc/28/35/13/518283513.db2.gz DKBANCYSALHHPY-UHFFFAOYSA-N 1 2 314.360 3.294 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccccn2)C2CC2)c1O ZINC000180855759 518283524 /nfs/dbraw/zinc/28/35/24/518283524.db2.gz DKBANCYSALHHPY-UHFFFAOYSA-N 1 2 314.360 3.294 20 10 DGCDLO COC(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000159208601 522917549 /nfs/dbraw/zinc/91/75/49/522917549.db2.gz DWLTWCRUCVCKLL-UHFFFAOYSA-N 1 2 318.200 3.084 20 10 DGCDLO COCCCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000181520315 523404642 /nfs/dbraw/zinc/40/46/42/523404642.db2.gz IRRUVYFWHPKKNG-UHFFFAOYSA-N 1 2 322.232 3.184 20 10 DGCDLO COCCCOCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000181520315 523404650 /nfs/dbraw/zinc/40/46/50/523404650.db2.gz IRRUVYFWHPKKNG-UHFFFAOYSA-N 1 2 322.232 3.184 20 10 DGCDLO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)cc1 ZINC000191194173 525377581 /nfs/dbraw/zinc/37/75/81/525377581.db2.gz AHRQGJOESOYABK-ZUZCIYMTSA-N 1 2 323.339 3.063 20 10 DGCDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000180060039 526349483 /nfs/dbraw/zinc/34/94/83/526349483.db2.gz MRNMQIXUUZCBKZ-QGZVFWFLSA-N 1 2 305.324 3.244 20 10 DGCDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000180060039 526349489 /nfs/dbraw/zinc/34/94/89/526349489.db2.gz MRNMQIXUUZCBKZ-QGZVFWFLSA-N 1 2 305.324 3.244 20 10 DGCDLO Cc1csc([C@H]2COCC[N@@H+]2Cc2cc(C)c(C)cc2O)n1 ZINC000190411963 526447112 /nfs/dbraw/zinc/44/71/12/526447112.db2.gz YSEFQQJIBIRVNB-OAHLLOKOSA-N 1 2 318.442 3.347 20 10 DGCDLO Cc1csc([C@H]2COCC[N@H+]2Cc2cc(C)c(C)cc2O)n1 ZINC000190411963 526447115 /nfs/dbraw/zinc/44/71/15/526447115.db2.gz YSEFQQJIBIRVNB-OAHLLOKOSA-N 1 2 318.442 3.347 20 10 DGCDLO c1cc2[nH+]ccc(NCc3ccc(N4CCOCC4)cc3)c2cn1 ZINC000267220187 526451144 /nfs/dbraw/zinc/45/11/44/526451144.db2.gz NRBOARUSGNUSAW-UHFFFAOYSA-N 1 2 320.396 3.079 20 10 DGCDLO OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000189932925 527563138 /nfs/dbraw/zinc/56/31/38/527563138.db2.gz SHGIKIZEQRPOHV-ZANVPECISA-N 1 2 304.217 3.340 20 10 DGCDLO CC(C)[N@H+](Cc1noc(C2CC2)n1)Cc1ccc(N(C)C)cc1 ZINC000299128017 535123046 /nfs/dbraw/zinc/12/30/46/535123046.db2.gz YHKGMQUCIJTIFY-UHFFFAOYSA-N 1 2 314.433 3.424 20 10 DGCDLO CC(C)[N@@H+](Cc1noc(C2CC2)n1)Cc1ccc(N(C)C)cc1 ZINC000299128017 535123048 /nfs/dbraw/zinc/12/30/48/535123048.db2.gz YHKGMQUCIJTIFY-UHFFFAOYSA-N 1 2 314.433 3.424 20 10 DGCDLO CC[C@@H](C)NC(=O)CC[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000287687580 535572949 /nfs/dbraw/zinc/57/29/49/535572949.db2.gz MYPZPNFQZKPCAP-BXUZGUMPSA-N 1 2 312.841 3.391 20 10 DGCDLO COc1cc(C)ccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273588436 536652850 /nfs/dbraw/zinc/65/28/50/536652850.db2.gz OMPZDZOYLFHYMB-LBPRGKRZSA-N 1 2 316.357 3.468 20 10 DGCDLO Cc1c2ccccc2n(C)c1CNc1ccc(-n2cncn2)c[nH+]1 ZINC000672812024 547915374 /nfs/dbraw/zinc/91/53/74/547915374.db2.gz RAXQNHLEXSMMHS-UHFFFAOYSA-N 1 2 318.384 3.075 20 10 DGCDLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccccc1O ZINC000735494509 574704043 /nfs/dbraw/zinc/70/40/43/574704043.db2.gz ZCVLAMWPIBXJNB-MRXNPFEDSA-N 1 2 319.788 3.392 20 10 DGCDLO COC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccccc1O ZINC000735494509 574704045 /nfs/dbraw/zinc/70/40/45/574704045.db2.gz ZCVLAMWPIBXJNB-MRXNPFEDSA-N 1 2 319.788 3.392 20 10 DGCDLO C[C@H]([NH2+]Cc1ccccc1O)c1noc(Cc2ccccc2)n1 ZINC000752265581 575830073 /nfs/dbraw/zinc/83/00/73/575830073.db2.gz JZHZZKAEFSZEPQ-ZDUSSCGKSA-N 1 2 309.369 3.217 20 10 DGCDLO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894019731 618693458 /nfs/dbraw/zinc/69/34/58/618693458.db2.gz BNYDOHAGGHCWFK-LLVKDONJSA-N 1 2 307.340 3.439 20 10 DGCDLO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894019731 618693460 /nfs/dbraw/zinc/69/34/60/618693460.db2.gz BNYDOHAGGHCWFK-LLVKDONJSA-N 1 2 307.340 3.439 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000896287663 618897092 /nfs/dbraw/zinc/89/70/92/618897092.db2.gz LAKUOHGLFGGDKK-UHFFFAOYSA-N 1 2 312.797 3.420 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000896792497 618959927 /nfs/dbraw/zinc/95/99/27/618959927.db2.gz KOUAZTBJHQIFIE-HOTGVXAUSA-N 1 2 316.351 3.134 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000896792497 618959928 /nfs/dbraw/zinc/95/99/28/618959928.db2.gz KOUAZTBJHQIFIE-HOTGVXAUSA-N 1 2 316.351 3.134 20 10 DGCDLO COc1c(O)c(CNc2ccc(C3CC3)c[nH+]2)ccc1[N+](=O)[O-] ZINC000897715430 619176074 /nfs/dbraw/zinc/17/60/74/619176074.db2.gz JYKNVGKYNGMAAW-UHFFFAOYSA-N 1 2 315.329 3.194 20 10 DGCDLO C[C@@H](Cc1cccnc1)[NH2+]Cc1cccc(Br)c1O ZINC000897969443 619200535 /nfs/dbraw/zinc/20/05/35/619200535.db2.gz JQUCICIDVUZRJF-NSHDSACASA-N 1 2 321.218 3.271 20 10 DGCDLO Cn1nc(C[NH2+]Cc2cccc(Cl)c2O)cc1C(F)(F)F ZINC000898021636 619206892 /nfs/dbraw/zinc/20/68/92/619206892.db2.gz OXJMXNQOOXOJDM-UHFFFAOYSA-N 1 2 319.714 3.088 20 10 DGCDLO Oc1c(Br)cccc1C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160745 619218862 /nfs/dbraw/zinc/21/88/62/619218862.db2.gz RSUIRCRLQHIFTH-UHFFFAOYSA-N 1 2 322.202 3.422 20 10 DGCDLO CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000898218840 619222854 /nfs/dbraw/zinc/22/28/54/619222854.db2.gz QOCITCNZTKDJAJ-UHFFFAOYSA-N 1 2 314.216 3.285 20 10 DGCDLO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1cc(F)cc(F)c1O ZINC000903190575 619737686 /nfs/dbraw/zinc/73/76/86/619737686.db2.gz AVGXLBDNHNSDAG-QMMMGPOBSA-N 1 2 310.369 3.466 20 10 DGCDLO CC(C)c1cc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)on1 ZINC000858137097 621156574 /nfs/dbraw/zinc/15/65/74/621156574.db2.gz FOVZLUMQHVOTFT-UHFFFAOYSA-N 1 2 309.360 3.432 20 10 DGCDLO CC(C)n1ccc(C[NH2+]Cc2c(O)cccc2Br)n1 ZINC000858141621 621157449 /nfs/dbraw/zinc/15/74/49/621157449.db2.gz QYDOPAOVGGCDQW-UHFFFAOYSA-N 1 2 324.222 3.222 20 10 DGCDLO COC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1ccco1 ZINC000858148511 621158795 /nfs/dbraw/zinc/15/87/95/621158795.db2.gz ZXJGPXPAGYGREG-AWEZNQCLSA-N 1 2 310.344 3.101 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cc(F)cc(F)c1O ZINC000858479075 621196218 /nfs/dbraw/zinc/19/62/18/621196218.db2.gz IFBSTKXROTUVLQ-KOLCDFICSA-N 1 2 320.330 3.051 20 10 DGCDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1c(O)cccc1Br ZINC000862344260 621576146 /nfs/dbraw/zinc/57/61/46/621576146.db2.gz OBIHAJVNYALOMC-JTQLQIEISA-N 1 2 314.223 3.154 20 10 DGCDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1c(O)cccc1Br ZINC000862344260 621576147 /nfs/dbraw/zinc/57/61/47/621576147.db2.gz OBIHAJVNYALOMC-JTQLQIEISA-N 1 2 314.223 3.154 20 10 DGCDLO Cc1ccncc1C[N@@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862350941 621576328 /nfs/dbraw/zinc/57/63/28/621576328.db2.gz JULNSVHQMZNBHT-UHFFFAOYSA-N 1 2 305.372 3.366 20 10 DGCDLO Cc1ccncc1C[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862350941 621576329 /nfs/dbraw/zinc/57/63/29/621576329.db2.gz JULNSVHQMZNBHT-UHFFFAOYSA-N 1 2 305.372 3.366 20 10 DGCDLO CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N1CCCC1 ZINC000756398181 621635609 /nfs/dbraw/zinc/63/56/09/621635609.db2.gz CUJBYOIOEBKIDN-BLLLJJGKSA-N 1 2 312.404 3.441 20 10 DGCDLO COC[C@H](C)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756464877 621640208 /nfs/dbraw/zinc/64/02/08/621640208.db2.gz IATSZCWWORVZES-RKDXNWHRSA-N 1 2 320.202 3.227 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)CCCO)c1cc(Br)c(F)cc1O ZINC000756647993 621655450 /nfs/dbraw/zinc/65/54/50/621655450.db2.gz VFWMNSJZZUZZMC-DTWKUNHWSA-N 1 2 320.202 3.105 20 10 DGCDLO COC(C)(C)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756648140 621655602 /nfs/dbraw/zinc/65/56/02/621655602.db2.gz YWMWCFKUHDICNS-QMMMGPOBSA-N 1 2 320.202 3.369 20 10 DGCDLO CC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756657659 621656843 /nfs/dbraw/zinc/65/68/43/621656843.db2.gz FAECDOMEWUBJJE-RKDXNWHRSA-N 1 2 320.202 3.105 20 10 DGCDLO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756762758 621662569 /nfs/dbraw/zinc/66/25/69/621662569.db2.gz RAHWXZPBWGQJSC-ZBEGNZNMSA-N 1 2 307.340 3.363 20 10 DGCDLO C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(F)cc(F)c1O ZINC000756768584 621663271 /nfs/dbraw/zinc/66/32/71/621663271.db2.gz FDOHOTRZCPTCTQ-JTQLQIEISA-N 1 2 319.355 3.231 20 10 DGCDLO C[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cc(F)cc(F)c1O ZINC000756771331 621663547 /nfs/dbraw/zinc/66/35/47/621663547.db2.gz VKXKXBDQAWILPS-ADLMAVQZSA-N 1 2 319.351 3.155 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc(F)cc(F)c1O ZINC000756787777 621664853 /nfs/dbraw/zinc/66/48/53/621664853.db2.gz RTODRVPFEFIGSK-CMPLNLGQSA-N 1 2 313.344 3.007 20 10 DGCDLO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(F)cc(F)c1O ZINC000757666394 621732545 /nfs/dbraw/zinc/73/25/45/621732545.db2.gz SOWPLMMIBLGXDD-IUODEOHRSA-N 1 2 321.367 3.315 20 10 DGCDLO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000809756353 621999975 /nfs/dbraw/zinc/99/99/75/621999975.db2.gz GNVWTXCBSFCVEE-OAHLLOKOSA-N 1 2 301.789 3.312 20 10 DGCDLO C[C@]1(CCCO)CCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000809756353 621999978 /nfs/dbraw/zinc/99/99/78/621999978.db2.gz GNVWTXCBSFCVEE-OAHLLOKOSA-N 1 2 301.789 3.312 20 10 DGCDLO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cc(F)cc(F)c1O ZINC000768237339 622447116 /nfs/dbraw/zinc/44/71/16/622447116.db2.gz JOXGOCVYOZOOOZ-NAMSACQYSA-N 1 2 309.356 3.279 20 10 DGCDLO CCOc1ccc(C[N@@H+]2CCOC[C@H]2c2ccc(C)o2)c(O)c1 ZINC000769447241 622528804 /nfs/dbraw/zinc/52/88/04/622528804.db2.gz XFNAXWQGOQXKBH-INIZCTEOSA-N 1 2 317.385 3.266 20 10 DGCDLO CCOc1ccc(C[N@H+]2CCOC[C@H]2c2ccc(C)o2)c(O)c1 ZINC000769447241 622528806 /nfs/dbraw/zinc/52/88/06/622528806.db2.gz XFNAXWQGOQXKBH-INIZCTEOSA-N 1 2 317.385 3.266 20 10 DGCDLO CC[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1cccc(Cl)c1O ZINC000872112332 622814008 /nfs/dbraw/zinc/81/40/08/622814008.db2.gz JCHTWLFMBCFYCX-BXUZGUMPSA-N 1 2 311.809 3.430 20 10 DGCDLO Cc1nonc1C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000872136272 622828613 /nfs/dbraw/zinc/82/86/13/622828613.db2.gz LBTSCDDGUNVQEF-GFCCVEGCSA-N 1 2 318.396 3.358 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000775166844 623237449 /nfs/dbraw/zinc/23/74/49/623237449.db2.gz BHUGBFFPRGPNJX-CQSZACIVSA-N 1 2 313.731 3.147 20 10 DGCDLO CN(C(=O)C[N@H+](C)Cc1cccc(Cl)c1O)C1CCCCC1 ZINC000775652796 623304443 /nfs/dbraw/zinc/30/44/43/623304443.db2.gz UMJKEXFLDMHHIB-UHFFFAOYSA-N 1 2 324.852 3.269 20 10 DGCDLO CN(C(=O)C[N@@H+](C)Cc1cccc(Cl)c1O)C1CCCCC1 ZINC000775652796 623304444 /nfs/dbraw/zinc/30/44/44/623304444.db2.gz UMJKEXFLDMHHIB-UHFFFAOYSA-N 1 2 324.852 3.269 20 10 DGCDLO COc1ccc(O)c(C[N@H+](C)Cc2ccn(-c3ccccc3)n2)c1 ZINC000775658744 623306417 /nfs/dbraw/zinc/30/64/17/623306417.db2.gz RPZHKPIPMFSAPY-UHFFFAOYSA-N 1 2 323.396 3.219 20 10 DGCDLO COc1ccc(O)c(C[N@@H+](C)Cc2ccn(-c3ccccc3)n2)c1 ZINC000775658744 623306422 /nfs/dbraw/zinc/30/64/22/623306422.db2.gz RPZHKPIPMFSAPY-UHFFFAOYSA-N 1 2 323.396 3.219 20 10 DGCDLO COc1ccc(O)c(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000775675901 623311422 /nfs/dbraw/zinc/31/14/22/623311422.db2.gz DYJJUGATFUMYQL-UHFFFAOYSA-N 1 2 323.396 3.326 20 10 DGCDLO COc1ccc(O)c(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)c1 ZINC000775675901 623311428 /nfs/dbraw/zinc/31/14/28/623311428.db2.gz DYJJUGATFUMYQL-UHFFFAOYSA-N 1 2 323.396 3.326 20 10 DGCDLO COc1ccc(OC)c(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000775855508 623342394 /nfs/dbraw/zinc/34/23/94/623342394.db2.gz QNNINAXBMGERKB-UHFFFAOYSA-N 1 2 307.777 3.353 20 10 DGCDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000776004234 623363419 /nfs/dbraw/zinc/36/34/19/623363419.db2.gz ZUBSJACONAMFAD-QMTHXVAHSA-N 1 2 311.809 3.128 20 10 DGCDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000776004234 623363421 /nfs/dbraw/zinc/36/34/21/623363421.db2.gz ZUBSJACONAMFAD-QMTHXVAHSA-N 1 2 311.809 3.128 20 10 DGCDLO C[C@@](CO)([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000776175183 623390601 /nfs/dbraw/zinc/39/06/01/623390601.db2.gz JDTFHZBEBSZPRW-INIZCTEOSA-N 1 2 309.768 3.182 20 10 DGCDLO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000776174013 623390642 /nfs/dbraw/zinc/39/06/42/623390642.db2.gz XEFBWDKNWVGPBV-UHFFFAOYSA-N 1 2 324.739 3.425 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000776252776 623401860 /nfs/dbraw/zinc/40/18/60/623401860.db2.gz FVWQKTCRVRZRQL-UHFFFAOYSA-N 1 2 303.793 3.045 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000776253945 623401943 /nfs/dbraw/zinc/40/19/43/623401943.db2.gz XSYRUPKYNUSZON-QGZVFWFLSA-N 1 2 321.779 3.108 20 10 DGCDLO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1ccc(N(C)C)cc1 ZINC000777574056 623543421 /nfs/dbraw/zinc/54/34/21/623543421.db2.gz FSLGHETYPKCDKK-AWEZNQCLSA-N 1 2 321.428 3.389 20 10 DGCDLO C[N@@H+](Cc1ccc(F)c(F)c1O)C[C@H]1OCCc2ccccc21 ZINC000876634015 623665000 /nfs/dbraw/zinc/66/50/00/623665000.db2.gz JDOFEOMPVXBLQG-MRXNPFEDSA-N 1 2 319.351 3.416 20 10 DGCDLO C[N@H+](Cc1ccc(F)c(F)c1O)C[C@H]1OCCc2ccccc21 ZINC000876634015 623665001 /nfs/dbraw/zinc/66/50/01/623665001.db2.gz JDOFEOMPVXBLQG-MRXNPFEDSA-N 1 2 319.351 3.416 20 10 DGCDLO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cccc(Cl)c1O ZINC000779432188 623770456 /nfs/dbraw/zinc/77/04/56/623770456.db2.gz NLCKCGIOSRQTPV-LRDDRELGSA-N 1 2 311.809 3.257 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)ccc(F)c1F ZINC000877195346 623824658 /nfs/dbraw/zinc/82/46/58/623824658.db2.gz JGKXEUVUVWLQCZ-CYBMUJFWSA-N 1 2 304.340 3.130 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@H](Cc3ccncc3)C2)ccc(F)c1F ZINC000877195346 623824664 /nfs/dbraw/zinc/82/46/64/623824664.db2.gz JGKXEUVUVWLQCZ-CYBMUJFWSA-N 1 2 304.340 3.130 20 10 DGCDLO C[C@@H](O)[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccccc1F ZINC000877611749 623961675 /nfs/dbraw/zinc/96/16/75/623961675.db2.gz ZAXYVPRNGBDDCP-RFAUZJTJSA-N 1 2 311.303 3.021 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)ccc(F)c1F ZINC000877673739 623986944 /nfs/dbraw/zinc/98/69/44/623986944.db2.gz QXVFGPQPHOLZKE-GOEBONIOSA-N 1 2 319.351 3.368 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)ccc(F)c1F ZINC000877673739 623986949 /nfs/dbraw/zinc/98/69/49/623986949.db2.gz QXVFGPQPHOLZKE-GOEBONIOSA-N 1 2 319.351 3.368 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000877730112 624006617 /nfs/dbraw/zinc/00/66/17/624006617.db2.gz MSAPPQPQCMNZKL-FZMZJTMJSA-N 1 2 313.800 3.337 20 10 DGCDLO COC(=O)CC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000877818958 624050533 /nfs/dbraw/zinc/05/05/33/624050533.db2.gz UCRGHUMDHCFNAZ-GFCCVEGCSA-N 1 2 311.809 3.211 20 10 DGCDLO COC(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000877818958 624050535 /nfs/dbraw/zinc/05/05/35/624050535.db2.gz UCRGHUMDHCFNAZ-GFCCVEGCSA-N 1 2 311.809 3.211 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cccc(Cl)c1O ZINC000806148755 624077784 /nfs/dbraw/zinc/07/77/84/624077784.db2.gz YAQMGBGJDIKWKY-FIXIBIHLSA-N 1 2 322.836 3.096 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)[C@H](C)[C@@H](C)O1 ZINC000783738880 624389529 /nfs/dbraw/zinc/38/95/29/624389529.db2.gz YHKIJZVYMDOLOE-GMTAPVOTSA-N 1 2 314.223 3.152 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)[C@H](C)[C@@H](C)O1 ZINC000783738880 624389531 /nfs/dbraw/zinc/38/95/31/624389531.db2.gz YHKIJZVYMDOLOE-GMTAPVOTSA-N 1 2 314.223 3.152 20 10 DGCDLO C[C@@H]([NH2+]Cc1ncsc1Br)c1ccccc1O ZINC000879650150 624622970 /nfs/dbraw/zinc/62/29/70/624622970.db2.gz MDRMXZIHSDNEGT-MRVPVSSYSA-N 1 2 313.220 3.462 20 10 DGCDLO CO[C@H](CC[NH2+][C@H](C)c1cc(F)cc(F)c1O)C(F)(F)F ZINC000786955400 624967692 /nfs/dbraw/zinc/96/76/92/624967692.db2.gz ZJXSQHWRXHFKSZ-RDDDGLTNSA-N 1 2 313.266 3.288 20 10 DGCDLO CN1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@@H]1c1ccccc1 ZINC000883077304 625918281 /nfs/dbraw/zinc/91/82/81/625918281.db2.gz FOCHUTZDJPVNJB-IRXDYDNUSA-N 1 2 318.367 3.205 20 10 DGCDLO COc1cc(C[NH+]2CC(OC(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000797821472 626171328 /nfs/dbraw/zinc/17/13/28/626171328.db2.gz VERDCXWWNUQVKM-UHFFFAOYSA-N 1 2 315.360 3.122 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1cccc(Cl)c1O ZINC000883395908 626672201 /nfs/dbraw/zinc/67/22/01/626672201.db2.gz DTLDHCJUMLVPBZ-WFASDCNBSA-N 1 2 322.836 3.097 20 10 DGCDLO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000806160474 626703044 /nfs/dbraw/zinc/70/30/44/626703044.db2.gz SASKNTTXHBQXFI-RBSFLKMASA-N 1 2 313.825 3.280 20 10 DGCDLO COc1cc(C)cc(C[N@@H+]2CC(C)(C)[C@H]2c2nccn2C)c1O ZINC000840110292 626765469 /nfs/dbraw/zinc/76/54/69/626765469.db2.gz XPOSXGBDEGGZLF-MRXNPFEDSA-N 1 2 315.417 3.026 20 10 DGCDLO COc1cc(C)cc(C[N@H+]2CC(C)(C)[C@H]2c2nccn2C)c1O ZINC000840110292 626765471 /nfs/dbraw/zinc/76/54/71/626765471.db2.gz XPOSXGBDEGGZLF-MRXNPFEDSA-N 1 2 315.417 3.026 20 10 DGCDLO CC[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H](C)C1 ZINC000809697652 626938154 /nfs/dbraw/zinc/93/81/54/626938154.db2.gz LADAWIUJVBYPIS-SNVBAGLBSA-N 1 2 303.233 3.225 20 10 DGCDLO CC[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)[C@H](C)C1 ZINC000809697652 626938157 /nfs/dbraw/zinc/93/81/57/626938157.db2.gz LADAWIUJVBYPIS-SNVBAGLBSA-N 1 2 303.233 3.225 20 10 DGCDLO Cc1cccc(C[N@@H+](CCN(C)C)Cc2cc(F)ccc2O)c1 ZINC000809741817 626944776 /nfs/dbraw/zinc/94/47/76/626944776.db2.gz XKWNOFGHRKRZBB-UHFFFAOYSA-N 1 2 316.420 3.404 20 10 DGCDLO Cc1cccc(C[N@H+](CCN(C)C)Cc2cc(F)ccc2O)c1 ZINC000809741817 626944778 /nfs/dbraw/zinc/94/47/78/626944778.db2.gz XKWNOFGHRKRZBB-UHFFFAOYSA-N 1 2 316.420 3.404 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000809790366 626954550 /nfs/dbraw/zinc/95/45/50/626954550.db2.gz CIJGOPGYWBGNTK-LLVKDONJSA-N 1 2 307.752 3.451 20 10 DGCDLO c1nnc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)C2CCCCC2)[nH]1 ZINC000813857496 627516059 /nfs/dbraw/zinc/51/60/59/627516059.db2.gz VSCFXQSMXBURJP-QGZVFWFLSA-N 1 2 312.417 3.151 20 10 DGCDLO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ncco1 ZINC000924705370 627670713 /nfs/dbraw/zinc/67/07/13/627670713.db2.gz BAVKHKXZGAJFNU-ZDUSSCGKSA-N 1 2 303.431 3.079 20 10 DGCDLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816513642 627799438 /nfs/dbraw/zinc/79/94/38/627799438.db2.gz XHPQMDZGSGBFAI-INIZCTEOSA-N 1 2 321.779 3.276 20 10 DGCDLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816513642 627799440 /nfs/dbraw/zinc/79/94/40/627799440.db2.gz XHPQMDZGSGBFAI-INIZCTEOSA-N 1 2 321.779 3.276 20 10 DGCDLO CC(C)[NH+](CCNCc1cc(Cl)c(F)cc1O)C(C)C ZINC000816528686 627802111 /nfs/dbraw/zinc/80/21/11/627802111.db2.gz NKXCMZXPWCXCCP-UHFFFAOYSA-N 1 2 302.821 3.393 20 10 DGCDLO CCN1CCCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816550552 627805613 /nfs/dbraw/zinc/80/56/13/627805613.db2.gz USXNOWCLFBOXAF-LBPRGKRZSA-N 1 2 300.805 3.149 20 10 DGCDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816616713 627815509 /nfs/dbraw/zinc/81/55/09/627815509.db2.gz CYGJYLIBJKYMEH-ZDUSSCGKSA-N 1 2 317.788 3.204 20 10 DGCDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816616713 627815511 /nfs/dbraw/zinc/81/55/11/627815511.db2.gz CYGJYLIBJKYMEH-ZDUSSCGKSA-N 1 2 317.788 3.204 20 10 DGCDLO CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(F)cc1[O-] ZINC000817942034 627969050 /nfs/dbraw/zinc/96/90/50/627969050.db2.gz XBNRZFGILVDEAG-QGZVFWFLSA-N 1 2 317.408 3.147 20 10 DGCDLO CC[C@H]([NH2+]CC[NH2+]C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000817952125 627972752 /nfs/dbraw/zinc/97/27/52/627972752.db2.gz CCLRGEZCEGBZIG-ZDUSSCGKSA-N 1 2 303.233 3.492 20 10 DGCDLO CC[C@H]([NH2+]Cc1nn(CC)nc1C)c1cccc(Cl)c1O ZINC000818347192 628017031 /nfs/dbraw/zinc/01/70/31/628017031.db2.gz YBOQQXLAGJNSEO-ZDUSSCGKSA-N 1 2 308.813 3.206 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1ccccc1C)Cc1ccccc1O ZINC000822512143 628459504 /nfs/dbraw/zinc/45/95/04/628459504.db2.gz WKERJHKOVFLRFQ-UHFFFAOYSA-N 1 2 313.397 3.266 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1ccccc1C)Cc1ccccc1O ZINC000822512143 628459505 /nfs/dbraw/zinc/45/95/05/628459505.db2.gz WKERJHKOVFLRFQ-UHFFFAOYSA-N 1 2 313.397 3.266 20 10 DGCDLO Oc1ccccc1CN(Cc1ccco1)Cc1c[nH+]c2n1CCC2 ZINC000824474350 628663939 /nfs/dbraw/zinc/66/39/39/628663939.db2.gz NMCRKXLEUKSMHX-UHFFFAOYSA-N 1 2 323.396 3.330 20 10 DGCDLO CCOCc1cc(C[NH2+]Cc2coc(CC)n2)ccc1OC ZINC000825050754 628721613 /nfs/dbraw/zinc/72/16/13/628721613.db2.gz RBFBOJYVUQLDHY-UHFFFAOYSA-N 1 2 304.390 3.072 20 10 DGCDLO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cccc(Cl)c2O)cn1 ZINC000827322057 628948853 /nfs/dbraw/zinc/94/88/53/628948853.db2.gz STIHDXIJTCFBJL-CZUORRHYSA-N 1 2 319.836 3.280 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000827785951 628991199 /nfs/dbraw/zinc/99/11/99/628991199.db2.gz FBJSXKUTXZDQFV-OAHLLOKOSA-N 1 2 316.367 3.214 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000827785951 628991202 /nfs/dbraw/zinc/99/12/02/628991202.db2.gz FBJSXKUTXZDQFV-OAHLLOKOSA-N 1 2 316.367 3.214 20 10 DGCDLO CCN(C)c1ccc([C@H](C)[NH2+]Cc2nn(C)cc2Cl)cc1 ZINC000834881819 629796124 /nfs/dbraw/zinc/79/61/24/629796124.db2.gz BLDRDUOCQZCEMS-LBPRGKRZSA-N 1 2 306.841 3.380 20 10 DGCDLO CC(C)OC(=O)[C@H](C)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835028164 629829297 /nfs/dbraw/zinc/82/92/97/629829297.db2.gz JMMVZBIKRGXCFF-KIUWMYQTSA-N 1 2 304.434 3.038 20 10 DGCDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835028164 629829298 /nfs/dbraw/zinc/82/92/98/629829298.db2.gz JMMVZBIKRGXCFF-KIUWMYQTSA-N 1 2 304.434 3.038 20 10 DGCDLO COCc1nc(C[NH2+]Cc2c(O)cc(C)cc2Cl)cs1 ZINC000840946725 630382902 /nfs/dbraw/zinc/38/29/02/630382902.db2.gz NJRHDQHERQPNBH-UHFFFAOYSA-N 1 2 312.822 3.247 20 10 DGCDLO CC[C@H]([NH2+]Cc1cccc(Br)c1O)[C@H](O)C(C)C ZINC000840966467 630388005 /nfs/dbraw/zinc/38/80/05/630388005.db2.gz FYGVANRZJIEZPT-QWHCGFSZSA-N 1 2 316.239 3.040 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000843416011 630654272 /nfs/dbraw/zinc/65/42/72/630654272.db2.gz OMWJVZPWZZAKGK-UHFFFAOYSA-N 1 2 316.836 3.063 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000843416011 630654273 /nfs/dbraw/zinc/65/42/73/630654273.db2.gz OMWJVZPWZZAKGK-UHFFFAOYSA-N 1 2 316.836 3.063 20 10 DGCDLO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](F)C2)c1O ZINC000846119171 631210673 /nfs/dbraw/zinc/21/06/73/631210673.db2.gz BOSIHHYWZZBTCC-LLVKDONJSA-N 1 2 318.186 3.097 20 10 DGCDLO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](F)C2)c1O ZINC000846119171 631210675 /nfs/dbraw/zinc/21/06/75/631210675.db2.gz BOSIHHYWZZBTCC-LLVKDONJSA-N 1 2 318.186 3.097 20 10 DGCDLO CC[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cccc(Cl)c1O ZINC000846210886 631215240 /nfs/dbraw/zinc/21/52/40/631215240.db2.gz CWNBCNLBBPQUAF-ZBFHGGJFSA-N 1 2 313.825 3.018 20 10 DGCDLO CCc1cccc(C[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1O ZINC000848877844 631768405 /nfs/dbraw/zinc/76/84/05/631768405.db2.gz UNVYCEIFIPHUCW-UHFFFAOYSA-N 1 2 323.396 3.235 20 10 DGCDLO CCc1cccc(C[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1O ZINC000848877844 631768409 /nfs/dbraw/zinc/76/84/09/631768409.db2.gz UNVYCEIFIPHUCW-UHFFFAOYSA-N 1 2 323.396 3.235 20 10 DGCDLO CC[C@H]([NH2+]C[C@@H](OC)[C@@H]1CCOC1)c1cccc(Cl)c1O ZINC000850485212 632167079 /nfs/dbraw/zinc/16/70/79/632167079.db2.gz ZAZKYQOSPFDZAO-BYCMXARLSA-N 1 2 313.825 3.138 20 10 DGCDLO COc1ccnc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1F ZINC000850536775 632186357 /nfs/dbraw/zinc/18/63/57/632186357.db2.gz JVEXFALIWBJVEJ-MRVPVSSYSA-N 1 2 312.291 3.064 20 10 DGCDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)CO1 ZINC000708114985 660918060 /nfs/dbraw/zinc/91/80/60/660918060.db2.gz QQQHOMVCAZQMGD-OIBJUYFYSA-N 1 2 320.614 3.075 20 10 DGCDLO CCC[C@H]1C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000709023216 660923477 /nfs/dbraw/zinc/92/34/77/660923477.db2.gz ZLVRQTHLBQXHHJ-NSHDSACASA-N 1 2 314.223 3.156 20 10 DGCDLO CCC[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC000709023216 660923478 /nfs/dbraw/zinc/92/34/78/660923478.db2.gz ZLVRQTHLBQXHHJ-NSHDSACASA-N 1 2 314.223 3.156 20 10 DGCDLO C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000794833472 661107987 /nfs/dbraw/zinc/10/79/87/661107987.db2.gz DZOSDGKQYPQXKG-XGNXJENSSA-N 1 2 310.388 3.338 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000092975014 655739481 /nfs/dbraw/zinc/73/94/81/655739481.db2.gz DDDDEVUYBNDTLC-IBGZPJMESA-N 1 2 314.404 3.465 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000092975014 655739483 /nfs/dbraw/zinc/73/94/83/655739483.db2.gz DDDDEVUYBNDTLC-IBGZPJMESA-N 1 2 314.404 3.465 20 10 DGCDLO COC1(CC[NH2+]Cc2cccc(Br)c2O)CCC1 ZINC000311107851 655971833 /nfs/dbraw/zinc/97/18/33/655971833.db2.gz VVUODAWRVDDVFP-UHFFFAOYSA-N 1 2 314.223 3.204 20 10 DGCDLO CC(C)OCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715746267 661214277 /nfs/dbraw/zinc/21/42/77/661214277.db2.gz SVGFVAFDPQMGLO-UHFFFAOYSA-N 1 2 320.202 3.199 20 10 DGCDLO C[C@H]1CSCC[N@H+]1Cc1cccc(Br)c1O ZINC000179664099 659938018 /nfs/dbraw/zinc/93/80/18/659938018.db2.gz QTWWDVWLRNPXTH-VIFPVBQESA-N 1 2 302.237 3.092 20 10 DGCDLO C[C@H]1CSCC[N@@H+]1Cc1cccc(Br)c1O ZINC000179664099 659938015 /nfs/dbraw/zinc/93/80/15/659938015.db2.gz QTWWDVWLRNPXTH-VIFPVBQESA-N 1 2 302.237 3.092 20 10 DGCDLO O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000180727484 659969098 /nfs/dbraw/zinc/96/90/98/659969098.db2.gz QFAZUAJTHBSENZ-KRXBUXKQSA-N 1 2 321.336 3.140 20 10 DGCDLO C[N@@H+](Cc1cccc(Br)c1O)C[C@H]1CCCOC1 ZINC000156030013 661856812 /nfs/dbraw/zinc/85/68/12/661856812.db2.gz KYGAUPPDKCTSQZ-LLVKDONJSA-N 1 2 314.223 3.013 20 10 DGCDLO C[N@H+](Cc1cccc(Br)c1O)C[C@H]1CCCOC1 ZINC000156030013 661856816 /nfs/dbraw/zinc/85/68/16/661856816.db2.gz KYGAUPPDKCTSQZ-LLVKDONJSA-N 1 2 314.223 3.013 20 10 DGCDLO COc1ccc(N2CC[NH+](Cc3ccncc3Cl)CC2)cc1 ZINC000075594754 661937465 /nfs/dbraw/zinc/93/74/65/661937465.db2.gz OMRICTHRNSJTDK-UHFFFAOYSA-N 1 2 317.820 3.066 20 10 DGCDLO C[C@@H]([NH2+]Cc1n[nH]cc1Br)c1ccc(N(C)C)cc1 ZINC000718141169 662232073 /nfs/dbraw/zinc/23/20/73/662232073.db2.gz KVNBSPSLJBSXNR-SNVBAGLBSA-N 1 2 323.238 3.089 20 10 DGCDLO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1csnn1 ZINC000398377677 685236358 /nfs/dbraw/zinc/23/63/58/685236358.db2.gz LXSXAOYAEGSIAD-ZDUSSCGKSA-N 1 2 302.447 3.379 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@H](CC)O1 ZINC000398443516 685237103 /nfs/dbraw/zinc/23/71/03/685237103.db2.gz PVVYLNYPHWBXCQ-GASCZTMLSA-N 1 2 309.381 3.123 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@H](CC)O1 ZINC000398443516 685237106 /nfs/dbraw/zinc/23/71/06/685237106.db2.gz PVVYLNYPHWBXCQ-GASCZTMLSA-N 1 2 309.381 3.123 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC001659756347 1196411523 /nfs/dbraw/zinc/41/15/23/1196411523.db2.gz PFGLMZYTJMYIGY-SWLSCSKDSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC001659756347 1196411524 /nfs/dbraw/zinc/41/15/24/1196411524.db2.gz PFGLMZYTJMYIGY-SWLSCSKDSA-N 1 2 316.367 3.213 20 10 DGCDLO Oc1c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)ccc(F)c1F ZINC001621122925 1192869713 /nfs/dbraw/zinc/86/97/13/1192869713.db2.gz MGQQDDWXEFZJKL-UHFFFAOYSA-N 1 2 315.323 3.146 20 10 DGCDLO C[C@@H]1CCc2nc(C[N@@H+]3Cc4cccc(O)c4C3)sc2C1 ZINC001333368904 1178595846 /nfs/dbraw/zinc/59/58/46/1178595846.db2.gz OFUYRRQGAMFSHW-LLVKDONJSA-N 1 2 300.427 3.489 20 10 DGCDLO C[C@@H]1CCc2nc(C[N@H+]3Cc4cccc(O)c4C3)sc2C1 ZINC001333368904 1178595849 /nfs/dbraw/zinc/59/58/49/1178595849.db2.gz OFUYRRQGAMFSHW-LLVKDONJSA-N 1 2 300.427 3.489 20 10 DGCDLO CCn1c[nH+]cc1COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001350335816 1180055092 /nfs/dbraw/zinc/05/50/92/1180055092.db2.gz ZGOGHBLRIFCPKR-UHFFFAOYSA-N 1 2 324.384 3.063 20 10 DGCDLO Nc1[nH+]cccc1CN1CCCc2cc(OC(F)F)ccc21 ZINC001462052867 1182902566 /nfs/dbraw/zinc/90/25/66/1182902566.db2.gz PFZQJEYUNBVCEY-UHFFFAOYSA-N 1 2 305.328 3.218 20 10 DGCDLO CC[C@@H]1C[NH+](Cc2cc(F)c(N(C)C)cc2F)C[C@@H](CC)O1 ZINC001462358749 1182942662 /nfs/dbraw/zinc/94/26/62/1182942662.db2.gz XTBYTLNPLZGJBC-ZIAGYGMSSA-N 1 2 312.404 3.420 20 10 DGCDLO Oc1cccc(F)c1C[NH2+]Cc1ccc(Br)o1 ZINC001462597185 1182974036 /nfs/dbraw/zinc/97/40/36/1182974036.db2.gz XYFMDHOJSIPIKG-UHFFFAOYSA-N 1 2 300.127 3.177 20 10 DGCDLO Cc1cccn2c(C[NH2+]Cc3cccc(Cl)c3O)cnc12 ZINC001560615800 1189348259 /nfs/dbraw/zinc/34/82/59/1189348259.db2.gz AYEHKXHPZNJYHM-UHFFFAOYSA-N 1 2 301.777 3.292 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC1(Br)CC1 ZINC001621549228 1193856943 /nfs/dbraw/zinc/85/69/43/1193856943.db2.gz IIZIZXPDNDOULB-UHFFFAOYSA-N 1 2 308.578 3.202 20 10 DGCDLO Cc1cc(O)c(C[NH+]2CC(O)(c3ccc(F)cc3)C2)c(Cl)c1 ZINC001653063458 1195684991 /nfs/dbraw/zinc/68/49/91/1195684991.db2.gz VPXMYXGMVSREFM-UHFFFAOYSA-N 1 2 321.779 3.197 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001657195287 1196117028 /nfs/dbraw/zinc/11/70/28/1196117028.db2.gz YQHOKLASSHJIQB-SWLSCSKDSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001657195287 1196117034 /nfs/dbraw/zinc/11/70/34/1196117034.db2.gz YQHOKLASSHJIQB-SWLSCSKDSA-N 1 2 316.367 3.213 20 10 DGCDLO Cn1cnc2cc(C[NH2+]Cc3cccc(Cl)c3O)ccc21 ZINC001658140993 1196216983 /nfs/dbraw/zinc/21/69/83/1196216983.db2.gz NDNNURHSOMVSBG-UHFFFAOYSA-N 1 2 301.777 3.222 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2cc(Cl)c(F)cc2O)sn1 ZINC001658969600 1196326372 /nfs/dbraw/zinc/32/63/72/1196326372.db2.gz MSOFNOLUYKEMJS-UHFFFAOYSA-N 1 2 316.785 3.282 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2O)sn1 ZINC001658969600 1196326374 /nfs/dbraw/zinc/32/63/74/1196326374.db2.gz MSOFNOLUYKEMJS-UHFFFAOYSA-N 1 2 316.785 3.282 20 10 DGCDLO Cc1ccc2ncc(C[NH2+]Cc3cccc(Cl)c3O)n2c1 ZINC001663442438 1196869210 /nfs/dbraw/zinc/86/92/10/1196869210.db2.gz PTIYOTSISWXLKS-UHFFFAOYSA-N 1 2 301.777 3.292 20 10 DGCDLO CCc1cccc(C[N@@H+]2CCn3nc(C(C)(C)C)cc3C2)c1O ZINC001665809946 1197200892 /nfs/dbraw/zinc/20/08/92/1197200892.db2.gz XYECYRNEKXJPIV-UHFFFAOYSA-N 1 2 313.445 3.464 20 10 DGCDLO CCc1cccc(C[N@H+]2CCn3nc(C(C)(C)C)cc3C2)c1O ZINC001665809946 1197200898 /nfs/dbraw/zinc/20/08/98/1197200898.db2.gz XYECYRNEKXJPIV-UHFFFAOYSA-N 1 2 313.445 3.464 20 10 DGCDLO CC(C)(C)OC(=O)C1CC([NH2+]Cc2cccc(Cl)c2O)C1 ZINC001665879600 1197210538 /nfs/dbraw/zinc/21/05/38/1197210538.db2.gz FBYGBTXASREUOP-UHFFFAOYSA-N 1 2 311.809 3.256 20 10 DGCDLO CC(C)C[N@H+](C)Cc1cccc(I)c1O ZINC001237787457 1100246691 /nfs/dbraw/zinc/24/66/91/1100246691.db2.gz SPCYFHXLAOEUKM-UHFFFAOYSA-N 1 2 319.186 3.085 20 10 DGCDLO CC(C)C[N@@H+](C)Cc1cccc(I)c1O ZINC001237787457 1100246699 /nfs/dbraw/zinc/24/66/99/1100246699.db2.gz SPCYFHXLAOEUKM-UHFFFAOYSA-N 1 2 319.186 3.085 20 10 DGCDLO CCN(CC)c1cc(N(C)Cc2ccc(N(C)C)cc2)nc[nH+]1 ZINC001156920948 1081925286 /nfs/dbraw/zinc/92/52/86/1081925286.db2.gz MKJAPENPWSSIAD-UHFFFAOYSA-N 1 2 313.449 3.025 20 10 DGCDLO CCN(CC)c1cc(N(C)Cc2ccc(N(C)C)cc2)[nH+]cn1 ZINC001156920948 1081925291 /nfs/dbraw/zinc/92/52/91/1081925291.db2.gz MKJAPENPWSSIAD-UHFFFAOYSA-N 1 2 313.449 3.025 20 10 DGCDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1O)c1nc(C(F)(F)F)n[nH]1 ZINC001184001571 1084085508 /nfs/dbraw/zinc/08/55/08/1084085508.db2.gz DLWFWTVLKOYASE-LURJTMIESA-N 1 2 320.702 3.033 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)cc1Cl ZINC001232267106 1087588599 /nfs/dbraw/zinc/58/85/99/1087588599.db2.gz WJGINZJBLOHJAD-ZIAGYGMSSA-N 1 2 305.752 3.326 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)cc1Cl ZINC001232267106 1087588602 /nfs/dbraw/zinc/58/86/02/1087588602.db2.gz WJGINZJBLOHJAD-ZIAGYGMSSA-N 1 2 305.752 3.326 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@](C)(C(F)F)O1 ZINC000698930094 1087708284 /nfs/dbraw/zinc/70/82/84/1087708284.db2.gz YRDBZNBOBKENDQ-XPTSAGLGSA-N 1 2 305.752 3.290 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@](C)(C(F)F)O1 ZINC000698930094 1087708290 /nfs/dbraw/zinc/70/82/90/1087708290.db2.gz YRDBZNBOBKENDQ-XPTSAGLGSA-N 1 2 305.752 3.290 20 10 DGCDLO Cc1cc(NCCc2cc(O)c(O)cc2O)[nH+]c2ccccc12 ZINC001157245483 1089891858 /nfs/dbraw/zinc/89/18/58/1089891858.db2.gz CPDIQIFLIVRDLT-UHFFFAOYSA-N 1 2 310.353 3.315 20 10 DGCDLO COc1cccc(C[N@H+](C)Cc2c(O)cccc2F)c1OC ZINC001137840075 1091219013 /nfs/dbraw/zinc/21/90/13/1091219013.db2.gz RBQLWPJRYMFMHK-UHFFFAOYSA-N 1 2 305.349 3.181 20 10 DGCDLO COc1cccc(C[N@@H+](C)Cc2c(O)cccc2F)c1OC ZINC001137840075 1091219024 /nfs/dbraw/zinc/21/90/24/1091219024.db2.gz RBQLWPJRYMFMHK-UHFFFAOYSA-N 1 2 305.349 3.181 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1Cc2ccccc2C1 ZINC001139126542 1091456511 /nfs/dbraw/zinc/45/65/11/1091456511.db2.gz JGEWLHWXWKYIND-UHFFFAOYSA-N 1 2 307.349 3.323 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCC[C@@H](F)C1 ZINC001139126882 1091459926 /nfs/dbraw/zinc/45/99/26/1091459926.db2.gz SWXVLLQHNJICHM-GFCCVEGCSA-N 1 2 305.349 3.131 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCC[C@@H](F)C1 ZINC001139126882 1091459932 /nfs/dbraw/zinc/45/99/32/1091459932.db2.gz SWXVLLQHNJICHM-GFCCVEGCSA-N 1 2 305.349 3.131 20 10 DGCDLO [NH3+]C[C@]1(F)CCCCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC001206334937 1091582785 /nfs/dbraw/zinc/58/27/85/1091582785.db2.gz AZCWCIPFMMHOIO-CQSZACIVSA-N 1 2 321.223 3.352 20 10 DGCDLO Oc1cccc(Br)c1C[N@@H+]1CCc2occc2C1 ZINC001140103599 1091768594 /nfs/dbraw/zinc/76/85/94/1091768594.db2.gz QOIHWNWVCLWSNE-UHFFFAOYSA-N 1 2 308.175 3.306 20 10 DGCDLO Oc1cccc(Br)c1C[N@H+]1CCc2occc2C1 ZINC001140103599 1091768601 /nfs/dbraw/zinc/76/86/01/1091768601.db2.gz QOIHWNWVCLWSNE-UHFFFAOYSA-N 1 2 308.175 3.306 20 10 DGCDLO C[N@H+](Cc1cncs1)Cc1c(O)cccc1Br ZINC001140103269 1091768928 /nfs/dbraw/zinc/76/89/28/1091768928.db2.gz HCGNXZGWDQJGKT-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO C[N@@H+](Cc1cncs1)Cc1c(O)cccc1Br ZINC001140103269 1091768934 /nfs/dbraw/zinc/76/89/34/1091768934.db2.gz HCGNXZGWDQJGKT-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO Cc1ccc2[nH]nc(C[N@@H+]3CCCc4cc(O)c(O)cc4C3)c2c1 ZINC001140333922 1091830508 /nfs/dbraw/zinc/83/05/08/1091830508.db2.gz WJVOWTKOBWBELL-UHFFFAOYSA-N 1 2 323.396 3.231 20 10 DGCDLO Cc1ccc2[nH]nc(C[N@H+]3CCCc4cc(O)c(O)cc4C3)c2c1 ZINC001140333922 1091830514 /nfs/dbraw/zinc/83/05/14/1091830514.db2.gz WJVOWTKOBWBELL-UHFFFAOYSA-N 1 2 323.396 3.231 20 10 DGCDLO C[NH+](C)CCN(Cc1ccccc1)Cc1c(O)cc(F)cc1F ZINC001140580108 1091917379 /nfs/dbraw/zinc/91/73/79/1091917379.db2.gz RJABDQJSLSANQX-UHFFFAOYSA-N 1 2 320.383 3.234 20 10 DGCDLO C[N@@H+]1CCN(Cc2c(O)cc(F)cc2F)[C@H](c2ccccc2)C1 ZINC001140580358 1091917465 /nfs/dbraw/zinc/91/74/65/1091917465.db2.gz YYVFJHPRHRZVFX-KRWDZBQOSA-N 1 2 318.367 3.159 20 10 DGCDLO C[N@H+]1CCN(Cc2c(O)cc(F)cc2F)[C@H](c2ccccc2)C1 ZINC001140580358 1091917473 /nfs/dbraw/zinc/91/74/73/1091917473.db2.gz YYVFJHPRHRZVFX-KRWDZBQOSA-N 1 2 318.367 3.159 20 10 DGCDLO Cc1ccc(C[N@H+]2CC[C@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001140957548 1092079763 /nfs/dbraw/zinc/07/97/63/1092079763.db2.gz DEIZBYVTRBOYET-HNNXBMFYSA-N 1 2 306.406 3.099 20 10 DGCDLO Cc1ccc(C[N@@H+]2CC[C@H]2N(C)C(=O)OC(C)(C)C)c(O)c1 ZINC001140957548 1092079774 /nfs/dbraw/zinc/07/97/74/1092079774.db2.gz DEIZBYVTRBOYET-HNNXBMFYSA-N 1 2 306.406 3.099 20 10 DGCDLO Cc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c(O)c1 ZINC001140954774 1092080454 /nfs/dbraw/zinc/08/04/54/1092080454.db2.gz YSHKCZXCSHNXIP-MRXNPFEDSA-N 1 2 310.388 3.006 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001142524975 1092493511 /nfs/dbraw/zinc/49/35/11/1092493511.db2.gz RMEMAAMKVFUJAH-OAHLLOKOSA-N 1 2 319.351 3.462 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001142524975 1092493525 /nfs/dbraw/zinc/49/35/25/1092493525.db2.gz RMEMAAMKVFUJAH-OAHLLOKOSA-N 1 2 319.351 3.462 20 10 DGCDLO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1F ZINC001137837560 1095761250 /nfs/dbraw/zinc/76/12/50/1095761250.db2.gz LUUYTQPTTRJENK-CQSZACIVSA-N 1 2 309.381 3.228 20 10 DGCDLO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1Cc1c(O)cccc1F ZINC001137837560 1095761261 /nfs/dbraw/zinc/76/12/61/1095761261.db2.gz LUUYTQPTTRJENK-CQSZACIVSA-N 1 2 309.381 3.228 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@](C)(C(F)F)C2)cc1 ZINC001118674089 1096053166 /nfs/dbraw/zinc/05/31/66/1096053166.db2.gz IMXSCMXRMBYBSG-BDUNBXCCSA-N 1 2 310.388 3.122 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCO[C@](C)(C(F)F)C2)cc1 ZINC001118674089 1096053175 /nfs/dbraw/zinc/05/31/75/1096053175.db2.gz IMXSCMXRMBYBSG-BDUNBXCCSA-N 1 2 310.388 3.122 20 10 DGCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001231847774 1097861633 /nfs/dbraw/zinc/86/16/33/1097861633.db2.gz CVKPSUZLSYTMLR-HNNXBMFYSA-N 1 2 316.367 3.330 20 10 DGCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001231847774 1097861637 /nfs/dbraw/zinc/86/16/37/1097861637.db2.gz CVKPSUZLSYTMLR-HNNXBMFYSA-N 1 2 316.367 3.330 20 10 DGCDLO Cc1cc(O)c(C[NH+]2CCN(Cc3ccco3)CC2)cc1Cl ZINC001231870446 1097871222 /nfs/dbraw/zinc/87/12/22/1097871222.db2.gz BKILXSMPNZLWEF-UHFFFAOYSA-N 1 2 320.820 3.265 20 10 DGCDLO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231914039 1097891757 /nfs/dbraw/zinc/89/17/57/1097891757.db2.gz XFCHEFKBROYHLK-CQSZACIVSA-N 1 2 318.804 3.402 20 10 DGCDLO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231914039 1097891765 /nfs/dbraw/zinc/89/17/65/1097891765.db2.gz XFCHEFKBROYHLK-CQSZACIVSA-N 1 2 318.804 3.402 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1ncccc1Cl)CCC2 ZINC001231960885 1097900837 /nfs/dbraw/zinc/90/08/37/1097900837.db2.gz UDYVGRUCLPEELO-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1ncccc1Cl)CCC2 ZINC001231960885 1097900844 /nfs/dbraw/zinc/90/08/44/1097900844.db2.gz UDYVGRUCLPEELO-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO COc1ccnc(Cl)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001232153965 1097952360 /nfs/dbraw/zinc/95/23/60/1097952360.db2.gz DLYXCHPKKCLYDD-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1ccnc(Cl)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001232153965 1097952364 /nfs/dbraw/zinc/95/23/64/1097952364.db2.gz DLYXCHPKKCLYDD-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO O=C1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)[C@H]2CCCC[C@@H]12 ZINC001232258640 1097983260 /nfs/dbraw/zinc/98/32/60/1097983260.db2.gz BPGGKLRPQITAJF-YPMHNXCESA-N 1 2 309.793 3.085 20 10 DGCDLO O=C1CC[N@H+](Cc2cc(Cl)c(O)cc2O)[C@H]2CCCC[C@@H]12 ZINC001232258640 1097983264 /nfs/dbraw/zinc/98/32/64/1097983264.db2.gz BPGGKLRPQITAJF-YPMHNXCESA-N 1 2 309.793 3.085 20 10 DGCDLO Oc1cc(O)c(C[N@@H+]2CCc3c(F)cccc3C2)cc1Cl ZINC001232262379 1097984504 /nfs/dbraw/zinc/98/45/04/1097984504.db2.gz FKSZDBPYTPDFQL-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Oc1cc(O)c(C[N@H+]2CCc3c(F)cccc3C2)cc1Cl ZINC001232262379 1097984510 /nfs/dbraw/zinc/98/45/10/1097984510.db2.gz FKSZDBPYTPDFQL-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cc1Cl ZINC001232266956 1097987468 /nfs/dbraw/zinc/98/74/68/1097987468.db2.gz TWDYVTAGRBOMHC-JSGCOSHPSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cc1Cl ZINC001232266956 1097987474 /nfs/dbraw/zinc/98/74/74/1097987474.db2.gz TWDYVTAGRBOMHC-JSGCOSHPSA-N 1 2 323.820 3.388 20 10 DGCDLO CCOC(=O)c1c(C[N@@H+]2CCC[C@H](F)C2)c2ccccc2n1C ZINC001233272762 1098270386 /nfs/dbraw/zinc/27/03/86/1098270386.db2.gz ZPAARRVJESVEKT-ZDUSSCGKSA-N 1 2 318.392 3.289 20 10 DGCDLO CCOC(=O)c1c(C[N@H+]2CCC[C@H](F)C2)c2ccccc2n1C ZINC001233272762 1098270390 /nfs/dbraw/zinc/27/03/90/1098270390.db2.gz ZPAARRVJESVEKT-ZDUSSCGKSA-N 1 2 318.392 3.289 20 10 DGCDLO C[N@@H+]1CCN(Cc2c(O)ccc(F)c2F)[C@H](c2ccccc2)C1 ZINC001233331609 1098292469 /nfs/dbraw/zinc/29/24/69/1098292469.db2.gz DBIZBAYFKBQBSY-INIZCTEOSA-N 1 2 318.367 3.159 20 10 DGCDLO C[N@H+]1CCN(Cc2c(O)ccc(F)c2F)[C@H](c2ccccc2)C1 ZINC001233331609 1098292473 /nfs/dbraw/zinc/29/24/73/1098292473.db2.gz DBIZBAYFKBQBSY-INIZCTEOSA-N 1 2 318.367 3.159 20 10 DGCDLO COc1cccc2c1C[N@H+](Cc1c(O)ccc(F)c1F)CC2 ZINC001233331717 1098292712 /nfs/dbraw/zinc/29/27/12/1098292712.db2.gz IFKOQOPFCQJMJR-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1cccc2c1C[N@@H+](Cc1c(O)ccc(F)c1F)CC2 ZINC001233331717 1098292717 /nfs/dbraw/zinc/29/27/17/1098292717.db2.gz IFKOQOPFCQJMJR-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO C[N@H+](CCc1ccncc1)Cc1cccc(C(F)(F)F)c1O ZINC001233417894 1098322029 /nfs/dbraw/zinc/32/20/29/1098322029.db2.gz MEWFIANVWGRBIZ-UHFFFAOYSA-N 1 2 310.319 3.481 20 10 DGCDLO C[N@@H+](CCc1ccncc1)Cc1cccc(C(F)(F)F)c1O ZINC001233417894 1098322036 /nfs/dbraw/zinc/32/20/36/1098322036.db2.gz MEWFIANVWGRBIZ-UHFFFAOYSA-N 1 2 310.319 3.481 20 10 DGCDLO Oc1c(C[N@@H+]2CCCCC23COC3)cccc1C(F)(F)F ZINC001233418854 1098322916 /nfs/dbraw/zinc/32/29/16/1098322916.db2.gz YVHVAOUCARFCPZ-UHFFFAOYSA-N 1 2 301.308 3.166 20 10 DGCDLO Oc1c(C[N@H+]2CCCCC23COC3)cccc1C(F)(F)F ZINC001233418854 1098322920 /nfs/dbraw/zinc/32/29/20/1098322920.db2.gz YVHVAOUCARFCPZ-UHFFFAOYSA-N 1 2 301.308 3.166 20 10 DGCDLO CC(C)[C@@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CCO1 ZINC001233419257 1098326077 /nfs/dbraw/zinc/32/60/77/1098326077.db2.gz PZTXDJDSVKTLLN-ZDUSSCGKSA-N 1 2 303.324 3.268 20 10 DGCDLO CC(C)[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCO1 ZINC001233419257 1098326086 /nfs/dbraw/zinc/32/60/86/1098326086.db2.gz PZTXDJDSVKTLLN-ZDUSSCGKSA-N 1 2 303.324 3.268 20 10 DGCDLO Oc1c(C[N@@H+]2Cc3ccncc3C2)cccc1OC(F)(F)F ZINC001233761718 1098425468 /nfs/dbraw/zinc/42/54/68/1098425468.db2.gz XMRDQCYGXLYUOV-UHFFFAOYSA-N 1 2 310.275 3.202 20 10 DGCDLO Oc1c(C[N@H+]2Cc3ccncc3C2)cccc1OC(F)(F)F ZINC001233761718 1098425473 /nfs/dbraw/zinc/42/54/73/1098425473.db2.gz XMRDQCYGXLYUOV-UHFFFAOYSA-N 1 2 310.275 3.202 20 10 DGCDLO CCOCCC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC001178276397 1098773957 /nfs/dbraw/zinc/77/39/57/1098773957.db2.gz POSQAGWRMMHXLI-UHFFFAOYSA-N 1 2 301.789 3.481 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC2(CC2)C1 ZINC001235059265 1098779359 /nfs/dbraw/zinc/77/93/59/1098779359.db2.gz SNHWEYUVEBTJGR-UHFFFAOYSA-N 1 2 300.171 3.280 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC2(CC2)C1 ZINC001235059265 1098779367 /nfs/dbraw/zinc/77/93/67/1098779367.db2.gz SNHWEYUVEBTJGR-UHFFFAOYSA-N 1 2 300.171 3.280 20 10 DGCDLO CC(C)[C@@H]1C[NH2+]CCN1Cc1cc(Cl)cc(Cl)c1O ZINC001235452243 1099042099 /nfs/dbraw/zinc/04/20/99/1099042099.db2.gz CQDCQRIOOULELA-ZDUSSCGKSA-N 1 2 303.233 3.129 20 10 DGCDLO Oc1c(F)cccc1CN1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001235794668 1099183498 /nfs/dbraw/zinc/18/34/98/1099183498.db2.gz VQBOZJWTYGYNQG-INIZCTEOSA-N 1 2 320.795 3.331 20 10 DGCDLO Oc1c(F)cccc1C[N@@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235794668 1099183504 /nfs/dbraw/zinc/18/35/04/1099183504.db2.gz VQBOZJWTYGYNQG-INIZCTEOSA-N 1 2 320.795 3.331 20 10 DGCDLO Oc1c(F)cccc1C[N@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235794668 1099183508 /nfs/dbraw/zinc/18/35/08/1099183508.db2.gz VQBOZJWTYGYNQG-INIZCTEOSA-N 1 2 320.795 3.331 20 10 DGCDLO CCC[C@@H]1C[NH2+]CCN1Cc1cc(Cl)cc(Cl)c1O ZINC001236132811 1099420635 /nfs/dbraw/zinc/42/06/35/1099420635.db2.gz OZYSIEOIRCSTOG-GFCCVEGCSA-N 1 2 303.233 3.273 20 10 DGCDLO COc1ccc(C[N@@H+]2CCc3cc(O)ccc3C2)c(O)c1Cl ZINC001236802268 1099798114 /nfs/dbraw/zinc/79/81/14/1099798114.db2.gz QYWLHHKHZIHECF-UHFFFAOYSA-N 1 2 319.788 3.318 20 10 DGCDLO COc1ccc(C[N@H+]2CCc3cc(O)ccc3C2)c(O)c1Cl ZINC001236802268 1099798125 /nfs/dbraw/zinc/79/81/25/1099798125.db2.gz QYWLHHKHZIHECF-UHFFFAOYSA-N 1 2 319.788 3.318 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c(O)c1Cl ZINC001236812588 1099802647 /nfs/dbraw/zinc/80/26/47/1099802647.db2.gz ZOMAMBGPIHWOLV-VIFPVBQESA-N 1 2 309.715 3.438 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2C[C@H](F)C[C@H]2C)c(Br)c1 ZINC001237063535 1099953604 /nfs/dbraw/zinc/95/36/04/1099953604.db2.gz SYNQXMDGLCOUHV-RKDXNWHRSA-N 1 2 318.186 3.096 20 10 DGCDLO COc1cc(O)c(C[N@H+]2C[C@H](F)C[C@H]2C)c(Br)c1 ZINC001237063535 1099953610 /nfs/dbraw/zinc/95/36/10/1099953610.db2.gz SYNQXMDGLCOUHV-RKDXNWHRSA-N 1 2 318.186 3.096 20 10 DGCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CCCC2(C1)OCCO2 ZINC001237085044 1099964362 /nfs/dbraw/zinc/96/43/62/1099964362.db2.gz SSXSZXAKXMPPME-UHFFFAOYSA-N 1 2 318.200 3.038 20 10 DGCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCCC2(C1)OCCO2 ZINC001237085044 1099964374 /nfs/dbraw/zinc/96/43/74/1099964374.db2.gz SSXSZXAKXMPPME-UHFFFAOYSA-N 1 2 318.200 3.038 20 10 DGCDLO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237115158 1099976562 /nfs/dbraw/zinc/97/65/62/1099976562.db2.gz FQYVQEFAALSWQV-QXEWZRGKSA-N 1 2 305.271 3.081 20 10 DGCDLO Oc1cccc(OC(F)(F)F)c1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237115158 1099976568 /nfs/dbraw/zinc/97/65/68/1099976568.db2.gz FQYVQEFAALSWQV-QXEWZRGKSA-N 1 2 305.271 3.081 20 10 DGCDLO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCc2ncccc2C1 ZINC001237121972 1099982382 /nfs/dbraw/zinc/98/23/82/1099982382.db2.gz DALALTKYHLMYRT-UHFFFAOYSA-N 1 2 324.302 3.244 20 10 DGCDLO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCc2ncccc2C1 ZINC001237121972 1099982386 /nfs/dbraw/zinc/98/23/86/1099982386.db2.gz DALALTKYHLMYRT-UHFFFAOYSA-N 1 2 324.302 3.244 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001237138977 1099990645 /nfs/dbraw/zinc/99/06/45/1099990645.db2.gz AQXNEMNHFGAVFJ-ZDUSSCGKSA-N 1 2 301.308 3.022 20 10 DGCDLO Oc1ccc(C(F)(F)F)cc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC001237138977 1099990653 /nfs/dbraw/zinc/99/06/53/1099990653.db2.gz AQXNEMNHFGAVFJ-ZDUSSCGKSA-N 1 2 301.308 3.022 20 10 DGCDLO Cc1cccc(O)c1CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001237495211 1100145485 /nfs/dbraw/zinc/14/54/85/1100145485.db2.gz NHBGKXQHIMCKRH-MRXNPFEDSA-N 1 2 310.388 3.006 20 10 DGCDLO CCOCC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237621885 1100192396 /nfs/dbraw/zinc/19/23/96/1100192396.db2.gz IEYURFIGQHLBGC-UHFFFAOYSA-N 1 2 301.789 3.433 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001237801367 1100250613 /nfs/dbraw/zinc/25/06/13/1100250613.db2.gz HNRMFDWDFFWBAA-CQSZACIVSA-N 1 2 322.767 3.233 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001237801367 1100250619 /nfs/dbraw/zinc/25/06/19/1100250619.db2.gz HNRMFDWDFFWBAA-CQSZACIVSA-N 1 2 322.767 3.233 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC001199811842 1102219432 /nfs/dbraw/zinc/21/94/32/1102219432.db2.gz DNIPAOWWORLLJE-UHFFFAOYSA-N 1 2 315.323 3.146 20 10 DGCDLO CC(C)[C@H](O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC001201684210 1102704527 /nfs/dbraw/zinc/70/45/27/1102704527.db2.gz GDRBUTFAXVFWLF-AWEZNQCLSA-N 1 2 301.789 3.071 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](CCC(F)(F)F)C1 ZINC001202346235 1102936644 /nfs/dbraw/zinc/93/66/44/1102936644.db2.gz NZTNVUQAOXQBNA-UHFFFAOYSA-N 1 2 312.335 3.497 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](CCC(F)(F)F)C1 ZINC001202346235 1102936651 /nfs/dbraw/zinc/93/66/51/1102936651.db2.gz NZTNVUQAOXQBNA-UHFFFAOYSA-N 1 2 312.335 3.497 20 10 DGCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)CC(C)C)CC2)c(Cl)c1 ZINC001325580301 1103073448 /nfs/dbraw/zinc/07/34/48/1103073448.db2.gz BBGLLZWQYFUUKP-UHFFFAOYSA-N 1 2 324.852 3.044 20 10 DGCDLO CSCc1n[nH]c(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC001262077542 1107604751 /nfs/dbraw/zinc/60/47/51/1107604751.db2.gz GZFWGAJYIWFXNX-WDEREUQCSA-N 1 2 318.446 3.020 20 10 DGCDLO CSCc1nnc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)[nH]1 ZINC001262077542 1107604755 /nfs/dbraw/zinc/60/47/55/1107604755.db2.gz GZFWGAJYIWFXNX-WDEREUQCSA-N 1 2 318.446 3.020 20 10 DGCDLO C[C@H](CO)[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC001319814935 1108647720 /nfs/dbraw/zinc/64/77/20/1108647720.db2.gz ZMWCNNOUZDZLOC-CYBMUJFWSA-N 1 2 305.805 3.429 20 10 DGCDLO C[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC001319814935 1108647726 /nfs/dbraw/zinc/64/77/26/1108647726.db2.gz ZMWCNNOUZDZLOC-CYBMUJFWSA-N 1 2 305.805 3.429 20 10 DGCDLO Cn1c2ccccc2nc1C[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001308633651 1111453814 /nfs/dbraw/zinc/45/38/14/1111453814.db2.gz LRDLSCFWHDEOEJ-UHFFFAOYSA-N 1 2 317.339 3.189 20 10 DGCDLO Cn1c2ccccc2nc1C[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001308633651 1111453818 /nfs/dbraw/zinc/45/38/18/1111453818.db2.gz LRDLSCFWHDEOEJ-UHFFFAOYSA-N 1 2 317.339 3.189 20 10 DGCDLO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185512104 295663148 /nfs/dbraw/zinc/66/31/48/295663148.db2.gz JVHXTRLAOKJKGO-VAOFZXAKSA-N 1 2 324.273 3.462 20 10 DGCDLO CCOC1CC(O)(C[NH2+][C@H](CC)c2cccc(Cl)c2O)C1 ZINC000286870081 535392909 /nfs/dbraw/zinc/39/29/09/535392909.db2.gz BRVNYYGIOWEZEJ-OFWKBQFLSA-N 1 2 313.825 3.016 20 10 DGCDLO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179931869 432074770 /nfs/dbraw/zinc/07/47/70/432074770.db2.gz JQCAVNFELYHIHZ-ZDUSSCGKSA-N 1 2 324.852 3.174 20 10 DGCDLO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179931869 432074771 /nfs/dbraw/zinc/07/47/71/432074771.db2.gz JQCAVNFELYHIHZ-ZDUSSCGKSA-N 1 2 324.852 3.174 20 10 DGCDLO CCc1ccc([C@@H]2COCC[N@@H+]2Cc2cccc(OC)c2O)o1 ZINC000093459407 193255566 /nfs/dbraw/zinc/25/55/66/193255566.db2.gz LRCKHKNXJVYVMD-HNNXBMFYSA-N 1 2 317.385 3.130 20 10 DGCDLO CCc1ccc([C@@H]2COCC[N@H+]2Cc2cccc(OC)c2O)o1 ZINC000093459407 193255567 /nfs/dbraw/zinc/25/55/67/193255567.db2.gz LRCKHKNXJVYVMD-HNNXBMFYSA-N 1 2 317.385 3.130 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(F)c(F)c1O ZINC000277003697 296147981 /nfs/dbraw/zinc/14/79/81/296147981.db2.gz ZRLQQMIEFBPYIM-JGVFFNPUSA-N 1 2 313.266 3.288 20 10 DGCDLO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1O ZINC000276997207 296163757 /nfs/dbraw/zinc/16/37/57/296163757.db2.gz YRAWUODMFQJFGU-RNCFNFMXSA-N 1 2 307.344 3.132 20 10 DGCDLO C[C@H]([NH2+]CCOc1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273418022 130118812 /nfs/dbraw/zinc/11/88/12/130118812.db2.gz RHYNBPSKUUMEAM-LBPRGKRZSA-N 1 2 302.330 3.030 20 10 DGCDLO C[C@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000274956684 130277444 /nfs/dbraw/zinc/27/74/44/130277444.db2.gz IBCFFKDNQDTVMX-HNNXBMFYSA-N 1 2 321.428 3.184 20 10 DGCDLO C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000285660390 131191131 /nfs/dbraw/zinc/19/11/31/131191131.db2.gz ZAZCSHQZJIAJPC-ZJUUUORDSA-N 1 2 304.217 3.461 20 10 DGCDLO COCCC[N@H+](Cc1ccncc1)Cc1cccc(Cl)c1O ZINC000289380485 131380900 /nfs/dbraw/zinc/38/09/00/131380900.db2.gz CKAKPGXNABVLEF-UHFFFAOYSA-N 1 2 320.820 3.479 20 10 DGCDLO COCCC[N@@H+](Cc1ccncc1)Cc1cccc(Cl)c1O ZINC000289380485 131380902 /nfs/dbraw/zinc/38/09/02/131380902.db2.gz CKAKPGXNABVLEF-UHFFFAOYSA-N 1 2 320.820 3.479 20 10 DGCDLO Cc1cc2[nH+]cn(C[C@@H](O)CSc3nccs3)c2cc1C ZINC000052914745 400754255 /nfs/dbraw/zinc/75/42/55/400754255.db2.gz YNODFUUOPSCYME-GFCCVEGCSA-N 1 2 319.455 3.263 20 10 DGCDLO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccc(Cl)c1O ZINC000287643173 286926495 /nfs/dbraw/zinc/92/64/95/286926495.db2.gz KYHFFAYWNOVYQD-BXUZGUMPSA-N 1 2 320.824 3.001 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccncc1 ZINC000273588298 288060978 /nfs/dbraw/zinc/06/09/78/288060978.db2.gz OKANEGXOUXJABF-NHYWBVRUSA-N 1 2 301.346 3.497 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)[C@H](CO)SC)c1cccc(Cl)c1O ZINC000287880034 288079771 /nfs/dbraw/zinc/07/97/71/288079771.db2.gz YJJFFURRLZCOOZ-ICCXJUOJSA-N 1 2 303.855 3.199 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1F ZINC000125274701 431919333 /nfs/dbraw/zinc/91/93/33/431919333.db2.gz UVRYPFZWZFETTR-INIZCTEOSA-N 1 2 302.397 3.342 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1F ZINC000125274701 431919336 /nfs/dbraw/zinc/91/93/36/431919336.db2.gz UVRYPFZWZFETTR-INIZCTEOSA-N 1 2 302.397 3.342 20 10 DGCDLO CN(C)c1ccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)cc1F ZINC000125274701 431919337 /nfs/dbraw/zinc/91/93/37/431919337.db2.gz UVRYPFZWZFETTR-INIZCTEOSA-N 1 2 302.397 3.342 20 10 DGCDLO Cc1nc(CC[N@@H+](C)Cc2cc(Cl)cc(Cl)c2O)no1 ZINC000271207950 432354639 /nfs/dbraw/zinc/35/46/39/432354639.db2.gz ZDKSLSCKYIUUAA-UHFFFAOYSA-N 1 2 316.188 3.065 20 10 DGCDLO Cc1nc(CC[N@H+](C)Cc2cc(Cl)cc(Cl)c2O)no1 ZINC000271207950 432354640 /nfs/dbraw/zinc/35/46/40/432354640.db2.gz ZDKSLSCKYIUUAA-UHFFFAOYSA-N 1 2 316.188 3.065 20 10 DGCDLO Cc1nnc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000271484211 432405607 /nfs/dbraw/zinc/40/56/07/432405607.db2.gz YLFUTQPMCIOLBJ-UHFFFAOYSA-N 1 2 304.463 3.323 20 10 DGCDLO Cc1nnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000271484211 432405609 /nfs/dbraw/zinc/40/56/09/432405609.db2.gz YLFUTQPMCIOLBJ-UHFFFAOYSA-N 1 2 304.463 3.323 20 10 DGCDLO COc1ccccc1C[N@H+](CCO)Cc1cccc(Cl)c1O ZINC000271710612 432421664 /nfs/dbraw/zinc/42/16/64/432421664.db2.gz GVKGSKMVEFZQNH-UHFFFAOYSA-N 1 2 321.804 3.049 20 10 DGCDLO COc1ccccc1C[N@@H+](CCO)Cc1cccc(Cl)c1O ZINC000271710612 432421666 /nfs/dbraw/zinc/42/16/66/432421666.db2.gz GVKGSKMVEFZQNH-UHFFFAOYSA-N 1 2 321.804 3.049 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(Cl)c(Cl)c1O ZINC000185831039 432536093 /nfs/dbraw/zinc/53/60/93/432536093.db2.gz HEYRDFHRTPGKHM-KXUCPTDWSA-N 1 2 302.201 3.287 20 10 DGCDLO C[C@H]([NH2+]CC1(C)OCCO1)c1ccc(Cl)c(Cl)c1O ZINC000186212084 432569559 /nfs/dbraw/zinc/56/95/59/432569559.db2.gz PQGZXZCMVNOJQW-QMMMGPOBSA-N 1 2 306.189 3.113 20 10 DGCDLO COc1ccc(N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1F ZINC000177067608 432581720 /nfs/dbraw/zinc/58/17/20/432581720.db2.gz UUYPCAUDWDOHET-UHFFFAOYSA-N 1 2 317.286 3.230 20 10 DGCDLO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187716614 432679862 /nfs/dbraw/zinc/67/98/62/432679862.db2.gz WJDQYGZUEIBVEQ-XHDPSFHLSA-N 1 2 307.340 3.363 20 10 DGCDLO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187714361 432679896 /nfs/dbraw/zinc/67/98/96/432679896.db2.gz HPKSQDURIGXTTG-BONVTDFDSA-N 1 2 323.339 3.063 20 10 DGCDLO C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(F)c(F)c1[O-] ZINC000187750516 432683764 /nfs/dbraw/zinc/68/37/64/432683764.db2.gz RUWSCQRWCUVWEQ-LLVKDONJSA-N 1 2 307.344 3.218 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@@H+]2Cc2cc(C)ccc2O)no1 ZINC000362095206 433526566 /nfs/dbraw/zinc/52/65/66/433526566.db2.gz BLWTYGMOEOCFHE-CQSZACIVSA-N 1 2 301.390 3.373 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@H+]2Cc2cc(C)ccc2O)no1 ZINC000362095206 433526577 /nfs/dbraw/zinc/52/65/77/433526577.db2.gz BLWTYGMOEOCFHE-CQSZACIVSA-N 1 2 301.390 3.373 20 10 DGCDLO COCc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273391220 293302978 /nfs/dbraw/zinc/30/29/78/293302978.db2.gz KUSGNUZWGPOYED-LBPRGKRZSA-N 1 2 316.357 3.298 20 10 DGCDLO COCc1ccccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273299377 293317075 /nfs/dbraw/zinc/31/70/75/293317075.db2.gz AZCVLIVDVAEIAO-LBPRGKRZSA-N 1 2 316.357 3.298 20 10 DGCDLO CN(C)c1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000301842890 433752699 /nfs/dbraw/zinc/75/26/99/433752699.db2.gz QVAWRSWOCWKSRZ-UHFFFAOYSA-N 1 2 324.432 3.259 20 10 DGCDLO CN(Cc1c(O)ccc(Cl)c1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377633363 433938641 /nfs/dbraw/zinc/93/86/41/433938641.db2.gz XSDZBBTUPNUVSX-FOSCPWQOSA-N 1 2 312.816 3.242 20 10 DGCDLO CN(Cc1c(O)ccc(Cl)c1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377633363 433938650 /nfs/dbraw/zinc/93/86/50/433938650.db2.gz XSDZBBTUPNUVSX-FOSCPWQOSA-N 1 2 312.816 3.242 20 10 DGCDLO CC[C@@H]([NH2+]CCOCCOC)c1cc(Cl)cc(Cl)c1O ZINC000287531034 434388715 /nfs/dbraw/zinc/38/87/15/434388715.db2.gz DPZHVYCUVCGXCO-CYBMUJFWSA-N 1 2 322.232 3.403 20 10 DGCDLO CN1Cc2ccccc2[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000359900217 434451408 /nfs/dbraw/zinc/45/14/08/434451408.db2.gz OMEOPGLIIGSKSC-INIZCTEOSA-N 1 2 302.805 3.322 20 10 DGCDLO CCCC[C@@H]([NH2+]Cc1c(C)c2ccccc2n1C)C(=O)OC ZINC000481608019 435434511 /nfs/dbraw/zinc/43/45/11/435434511.db2.gz LCPPMDDKLAQLKG-OAHLLOKOSA-N 1 2 302.418 3.308 20 10 DGCDLO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(F)c(F)c1O ZINC000187732086 333236793 /nfs/dbraw/zinc/23/67/93/333236793.db2.gz PCCUHWDRGKKCFL-VFZGTOFNSA-N 1 2 313.369 3.290 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000278403396 334096209 /nfs/dbraw/zinc/09/62/09/334096209.db2.gz OPBBWOZGMKOOCK-ZWNOBZJWSA-N 1 2 323.742 3.181 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000278403396 334096211 /nfs/dbraw/zinc/09/62/11/334096211.db2.gz OPBBWOZGMKOOCK-ZWNOBZJWSA-N 1 2 323.742 3.181 20 10 DGCDLO CCN(CC)c1ccc(CNc2nc[nH+]c(N)c2Cl)cc1F ZINC000302920697 336374271 /nfs/dbraw/zinc/37/42/71/336374271.db2.gz ZLQUZSRZRHSTQE-UHFFFAOYSA-N 1 2 323.803 3.310 20 10 DGCDLO CCN(CC)c1ccc(CNc2[nH+]cnc(N)c2Cl)cc1F ZINC000302920697 336374272 /nfs/dbraw/zinc/37/42/72/336374272.db2.gz ZLQUZSRZRHSTQE-UHFFFAOYSA-N 1 2 323.803 3.310 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+]C(C)(C)c2noc(C)n2)cc1F ZINC000265808972 520905817 /nfs/dbraw/zinc/90/58/17/520905817.db2.gz VMMDYFSEBSCROS-UHFFFAOYSA-N 1 2 320.412 3.388 20 10 DGCDLO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cccc(Cl)c1O ZINC000287117194 535807908 /nfs/dbraw/zinc/80/79/08/535807908.db2.gz QWHJSYSELLZPCS-SMDDNHRTSA-N 1 2 310.825 3.097 20 10 DGCDLO COCCc1cc[nH+]c(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000287488723 536833118 /nfs/dbraw/zinc/83/31/18/536833118.db2.gz NDYXWYJFYQCGNK-LLVKDONJSA-N 1 2 317.345 3.057 20 10 DGCDLO CC[N@H+](CCCNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731865568 574560694 /nfs/dbraw/zinc/56/06/94/574560694.db2.gz NFCRCXHKVZCAMQ-UHFFFAOYSA-N 1 2 304.415 3.100 20 10 DGCDLO CC[N@@H+](CCCNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731865568 574560695 /nfs/dbraw/zinc/56/06/95/574560695.db2.gz NFCRCXHKVZCAMQ-UHFFFAOYSA-N 1 2 304.415 3.100 20 10 DGCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000732094161 574566297 /nfs/dbraw/zinc/56/62/97/574566297.db2.gz JAXCSMQZRIAHRP-UHFFFAOYSA-N 1 2 314.414 3.151 20 10 DGCDLO Cc1noc([C@@H](C)[NH2+]Cc2cc(Cl)cc(Cl)c2O)n1 ZINC000729684380 575260438 /nfs/dbraw/zinc/26/04/38/575260438.db2.gz NOELVEFAZDZPSN-ZCFIWIBFSA-N 1 2 302.161 3.241 20 10 DGCDLO CCCCCNC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726612007 576032891 /nfs/dbraw/zinc/03/28/91/576032891.db2.gz ZYXRJMZMGDYPML-UHFFFAOYSA-N 1 2 319.449 3.153 20 10 DGCDLO CCC(CC)NC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726610489 576033156 /nfs/dbraw/zinc/03/31/56/576033156.db2.gz KAUODXDAWHGSEM-UHFFFAOYSA-N 1 2 319.449 3.152 20 10 DGCDLO CC(C)C[C@@H](C(=O)NCc1cccc(Cl)c1O)n1cc[nH+]c1 ZINC000890760839 617656932 /nfs/dbraw/zinc/65/69/32/617656932.db2.gz APOCFSNIGHOZPX-AWEZNQCLSA-N 1 2 321.808 3.146 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2ncc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000894586946 618395730 /nfs/dbraw/zinc/39/57/30/618395730.db2.gz NTCLBKYIBDLFLG-UHFFFAOYSA-N 1 2 303.406 3.053 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2ncc[nH]2)c(O)c(C(C)(C)C)c1 ZINC000894586946 618395736 /nfs/dbraw/zinc/39/57/36/618395736.db2.gz NTCLBKYIBDLFLG-UHFFFAOYSA-N 1 2 303.406 3.053 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000895327391 618596106 /nfs/dbraw/zinc/59/61/06/618596106.db2.gz NCZKDWLJTXNHNN-UHFFFAOYSA-N 1 2 309.356 3.061 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000895327391 618596109 /nfs/dbraw/zinc/59/61/09/618596109.db2.gz NCZKDWLJTXNHNN-UHFFFAOYSA-N 1 2 309.356 3.061 20 10 DGCDLO COc1ccc(O)c(C[N@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)c1 ZINC000840957271 618633893 /nfs/dbraw/zinc/63/38/93/618633893.db2.gz KPPZEJPJTFXHSP-GFCCVEGCSA-N 1 2 321.417 3.095 20 10 DGCDLO COc1ccc(O)c(C[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)c1 ZINC000840957271 618633894 /nfs/dbraw/zinc/63/38/94/618633894.db2.gz KPPZEJPJTFXHSP-GFCCVEGCSA-N 1 2 321.417 3.095 20 10 DGCDLO CC(C)[N@H+](CCO)Cc1cc(Cl)cc(Br)c1O ZINC000893897412 618674473 /nfs/dbraw/zinc/67/44/73/618674473.db2.gz ZQVFQRSECCAWOI-UHFFFAOYSA-N 1 2 322.630 3.011 20 10 DGCDLO CC(C)[N@@H+](CCO)Cc1cc(Cl)cc(Br)c1O ZINC000893897412 618674474 /nfs/dbraw/zinc/67/44/74/618674474.db2.gz ZQVFQRSECCAWOI-UHFFFAOYSA-N 1 2 322.630 3.011 20 10 DGCDLO Cc1nc2sccn2c1C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000893994674 618688387 /nfs/dbraw/zinc/68/83/87/618688387.db2.gz CMQXRKHEEOCSGN-UHFFFAOYSA-N 1 2 323.368 3.320 20 10 DGCDLO Cn1nc(C2CC2)cc1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000897223899 619032073 /nfs/dbraw/zinc/03/20/73/619032073.db2.gz AZZDIYQLAGFKMW-UHFFFAOYSA-N 1 2 309.772 3.085 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc2c(c1)CCO2 ZINC000897417824 619108659 /nfs/dbraw/zinc/10/86/59/619108659.db2.gz ANDYJILGRAINBW-SNVBAGLBSA-N 1 2 305.324 3.456 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897537455 619150830 /nfs/dbraw/zinc/15/08/30/619150830.db2.gz YRHLBMQTEKFGAB-QMTHXVAHSA-N 1 2 301.789 3.216 20 10 DGCDLO CSCC(C)(C)[NH2+]Cc1cccc(Br)c1O ZINC000898305834 619235513 /nfs/dbraw/zinc/23/55/13/619235513.db2.gz UEAOGELBDLLMPW-UHFFFAOYSA-N 1 2 304.253 3.386 20 10 DGCDLO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cccc(Cl)c1O ZINC000753567569 620451877 /nfs/dbraw/zinc/45/18/77/620451877.db2.gz AVZXHWXHOSIJRX-ZDUSSCGKSA-N 1 2 309.793 3.376 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[NH+](CC2CC2)CC1 ZINC000768770888 620881488 /nfs/dbraw/zinc/88/14/88/620881488.db2.gz JULBEUBOJHWLDX-UHFFFAOYSA-N 1 2 315.244 3.227 20 10 DGCDLO C[C@H]([NH2+][C@@H]1CC12CC2)c1cc(Br)c(F)cc1O ZINC000818357165 620899867 /nfs/dbraw/zinc/89/98/67/620899867.db2.gz VUVFASOGPJOLQD-JVXZTZIISA-N 1 2 300.171 3.497 20 10 DGCDLO COc1ccc(N(C)Cc2cc[nH+]c(N(C)C)c2)cc1Cl ZINC000754061625 621483921 /nfs/dbraw/zinc/48/39/21/621483921.db2.gz LZHLSMDHHJBHFG-UHFFFAOYSA-N 1 2 305.809 3.446 20 10 DGCDLO Cc1cc(C2([NH2+]Cc3cccc(Cl)c3O)CCOCC2)on1 ZINC000862541952 621599219 /nfs/dbraw/zinc/59/92/19/621599219.db2.gz AQUYFPGYRQECQD-UHFFFAOYSA-N 1 2 322.792 3.138 20 10 DGCDLO Cc1cc(C)n(CCC[NH2+][C@H](C)c2cc(F)cc(F)c2O)n1 ZINC000756374166 621632766 /nfs/dbraw/zinc/63/27/66/621632766.db2.gz YNNDTPYUFKYKSO-GFCCVEGCSA-N 1 2 309.360 3.225 20 10 DGCDLO C[C@@H]([NH2+]CCc1cn2ccccc2n1)c1cc(F)cc(F)c1O ZINC000756391950 621634851 /nfs/dbraw/zinc/63/48/51/621634851.db2.gz IQADQFGNZWWSJE-LLVKDONJSA-N 1 2 317.339 3.211 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H](C)N1CCC(C)CC1)c1cc(F)cc(F)c1O ZINC000756504017 621643089 /nfs/dbraw/zinc/64/30/89/621643089.db2.gz OPZGFTBMIGOZHY-CHWSQXEVSA-N 1 2 312.404 3.441 20 10 DGCDLO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756576280 621650535 /nfs/dbraw/zinc/65/05/35/621650535.db2.gz LXPPJZWTGVGGIF-MEDUHNTESA-N 1 2 307.340 3.363 20 10 DGCDLO C[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cc(F)cc(F)c1O ZINC000756575805 621650819 /nfs/dbraw/zinc/65/08/19/621650819.db2.gz QLDACWNLZIFUSO-NSHDSACASA-N 1 2 320.339 3.350 20 10 DGCDLO CC[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756602257 621652289 /nfs/dbraw/zinc/65/22/89/621652289.db2.gz DMEBNROQVBKATI-DTWKUNHWSA-N 1 2 320.202 3.105 20 10 DGCDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)[nH]2)c(O)c1 ZINC000756866811 621668948 /nfs/dbraw/zinc/66/89/48/621668948.db2.gz DPLVLNDTXZOGPT-CYBMUJFWSA-N 1 2 308.385 3.337 20 10 DGCDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccccc3)n[nH]2)c(O)c1 ZINC000756866811 621668950 /nfs/dbraw/zinc/66/89/50/621668950.db2.gz DPLVLNDTXZOGPT-CYBMUJFWSA-N 1 2 308.385 3.337 20 10 DGCDLO CCN(Cc1cc(OC)cc(C)[nH+]1)c1ccc(OC)c(OC)c1 ZINC000757085275 621685633 /nfs/dbraw/zinc/68/56/33/621685633.db2.gz VEAUNBYGYIGODA-UHFFFAOYSA-N 1 2 316.401 3.442 20 10 DGCDLO CCc1cccc(C[N@@H+]2CCO[C@@](C)(C(F)(F)F)C2)c1O ZINC000864054674 621732683 /nfs/dbraw/zinc/73/26/83/621732683.db2.gz YOPXVNSVHFEFLD-CQSZACIVSA-N 1 2 303.324 3.108 20 10 DGCDLO CCc1cccc(C[N@H+]2CCO[C@@](C)(C(F)(F)F)C2)c1O ZINC000864054674 621732684 /nfs/dbraw/zinc/73/26/84/621732684.db2.gz YOPXVNSVHFEFLD-CQSZACIVSA-N 1 2 303.324 3.108 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2cc(Cl)cc(F)c2O)cn1 ZINC000757918225 621746745 /nfs/dbraw/zinc/74/67/45/621746745.db2.gz YEXVUCBRSIRXGG-UHFFFAOYSA-N 1 2 310.756 3.220 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2O)cn1 ZINC000757918225 621746746 /nfs/dbraw/zinc/74/67/46/621746746.db2.gz YEXVUCBRSIRXGG-UHFFFAOYSA-N 1 2 310.756 3.220 20 10 DGCDLO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000758507674 621785871 /nfs/dbraw/zinc/78/58/71/621785871.db2.gz WSHUKBIDQOCDFD-SFHVURJKSA-N 1 2 319.408 3.429 20 10 DGCDLO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cc(F)cc(F)c1O ZINC000866566040 622139869 /nfs/dbraw/zinc/13/98/69/622139869.db2.gz WRLJRWYBRXKJIF-SSDOTTSWSA-N 1 2 317.286 3.192 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(N2CCOCC2)cc1Cl ZINC000766420114 622328240 /nfs/dbraw/zinc/32/82/40/622328240.db2.gz IUNJHTHMRVWRKP-GFCCVEGCSA-N 1 2 321.808 3.015 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCCSC1 ZINC000129238131 625561562 /nfs/dbraw/zinc/56/15/62/625561562.db2.gz GFAFSLNWTZBNOK-SNVBAGLBSA-N 1 2 302.237 3.140 20 10 DGCDLO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cc(F)cc(F)c1O ZINC000768237342 622446958 /nfs/dbraw/zinc/44/69/58/622446958.db2.gz JOXGOCVYOZOOOZ-PLVUELBSSA-N 1 2 309.356 3.279 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1ccccc1)Cc1cc(C)ccc1O ZINC000768237359 622446964 /nfs/dbraw/zinc/44/69/64/622446964.db2.gz PQCUZOJCXKXRQL-UHFFFAOYSA-N 1 2 313.397 3.266 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1ccccc1)Cc1cc(C)ccc1O ZINC000768237359 622446967 /nfs/dbraw/zinc/44/69/67/622446967.db2.gz PQCUZOJCXKXRQL-UHFFFAOYSA-N 1 2 313.397 3.266 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1ccc(N(CC)CC)cc1)C1CC1 ZINC000768753024 622474190 /nfs/dbraw/zinc/47/41/90/622474190.db2.gz JMEFUKWCPZSRKG-UHFFFAOYSA-N 1 2 304.434 3.060 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1ccc(N(CC)CC)cc1)C1CC1 ZINC000768753024 622474191 /nfs/dbraw/zinc/47/41/91/622474191.db2.gz JMEFUKWCPZSRKG-UHFFFAOYSA-N 1 2 304.434 3.060 20 10 DGCDLO C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)C(C)(C)C1 ZINC000769446875 622528478 /nfs/dbraw/zinc/52/84/78/622528478.db2.gz OIAPVSXJGZIFIQ-UHFFFAOYSA-N 1 2 303.233 3.225 20 10 DGCDLO C[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)C(C)(C)C1 ZINC000769446875 622528480 /nfs/dbraw/zinc/52/84/80/622528480.db2.gz OIAPVSXJGZIFIQ-UHFFFAOYSA-N 1 2 303.233 3.225 20 10 DGCDLO COC(=O)C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000770281045 622618109 /nfs/dbraw/zinc/61/81/09/622618109.db2.gz NOWQWJMFGHXPJG-UHFFFAOYSA-N 1 2 311.381 3.197 20 10 DGCDLO COC(=O)C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000770281045 622618111 /nfs/dbraw/zinc/61/81/11/622618111.db2.gz NOWQWJMFGHXPJG-UHFFFAOYSA-N 1 2 311.381 3.197 20 10 DGCDLO Cc1nonc1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000872136273 622828909 /nfs/dbraw/zinc/82/89/09/622828909.db2.gz LBTSCDDGUNVQEF-LBPRGKRZSA-N 1 2 318.396 3.358 20 10 DGCDLO CCC(F)(F)C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873142624 623048912 /nfs/dbraw/zinc/04/89/12/623048912.db2.gz DSRJVXJKLAWXPW-UHFFFAOYSA-N 1 2 309.360 3.075 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cc(F)cc(F)c1O ZINC000774377332 623137638 /nfs/dbraw/zinc/13/76/38/623137638.db2.gz FZXDNWQJEAUJRY-FZMZJTMJSA-N 1 2 310.388 3.338 20 10 DGCDLO Cc1cc(Br)cc(C[N@@H+]2CCOCC2(C)C)c1O ZINC000124564867 623177889 /nfs/dbraw/zinc/17/78/89/623177889.db2.gz ZSEBOJHWOPVOHI-UHFFFAOYSA-N 1 2 314.223 3.074 20 10 DGCDLO Cc1cc(Br)cc(C[N@H+]2CCOCC2(C)C)c1O ZINC000124564867 623177892 /nfs/dbraw/zinc/17/78/92/623177892.db2.gz ZSEBOJHWOPVOHI-UHFFFAOYSA-N 1 2 314.223 3.074 20 10 DGCDLO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000774832147 623197175 /nfs/dbraw/zinc/19/71/75/623197175.db2.gz JGTLXNSDBPSTSP-MFKMUULPSA-N 1 2 314.223 3.059 20 10 DGCDLO OCC[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC000775638467 623300665 /nfs/dbraw/zinc/30/06/65/623300665.db2.gz ITWSUVOLMZOMHP-UHFFFAOYSA-N 1 2 309.768 3.179 20 10 DGCDLO OCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(F)c1O ZINC000775638467 623300671 /nfs/dbraw/zinc/30/06/71/623300671.db2.gz ITWSUVOLMZOMHP-UHFFFAOYSA-N 1 2 309.768 3.179 20 10 DGCDLO COCCOc1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000776021449 623365638 /nfs/dbraw/zinc/36/56/38/623365638.db2.gz WMJYLOIISGMVNF-UHFFFAOYSA-N 1 2 321.804 3.361 20 10 DGCDLO Cn1c(C[NH2+]Cc2cccc(Cl)c2O)nc2cc(F)ccc21 ZINC000776213736 623397857 /nfs/dbraw/zinc/39/78/57/623397857.db2.gz GFZQZBKXFCOQID-UHFFFAOYSA-N 1 2 319.767 3.361 20 10 DGCDLO CC1(C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@H]2CCCO[C@@H]21 ZINC000776223535 623399493 /nfs/dbraw/zinc/39/94/93/623399493.db2.gz JJGPEYWKCSFTOZ-DFBGVHRSSA-N 1 2 313.800 3.478 20 10 DGCDLO O=C1[C@H]([NH2+]Cc2cccc(Cl)c2O)CCN1C1CCCCC1 ZINC000776253899 623401836 /nfs/dbraw/zinc/40/18/36/623401836.db2.gz WQAJNRTYKKHOFN-OAHLLOKOSA-N 1 2 322.836 3.069 20 10 DGCDLO OC[C@@]1([NH2+]Cc2cc(Cl)cc(F)c2O)CCc2ccccc21 ZINC000776252742 623401972 /nfs/dbraw/zinc/40/19/72/623401972.db2.gz XDOLTTJGUHGZKS-KRWDZBQOSA-N 1 2 321.779 3.108 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1N(C)CCCC1(C)C)c1cc(F)cc(F)c1O ZINC000790495872 625661290 /nfs/dbraw/zinc/66/12/90/625661290.db2.gz CZEMILOMOBHVDA-ABAIWWIYSA-N 1 2 312.404 3.441 20 10 DGCDLO Cc1ccnc(C[N@H+](C)Cc2ccccc2O)c1Br ZINC000876615571 623660466 /nfs/dbraw/zinc/66/04/66/623660466.db2.gz ICHNIOHNXNFPNH-UHFFFAOYSA-N 1 2 321.218 3.490 20 10 DGCDLO Cc1ccnc(C[N@@H+](C)Cc2ccccc2O)c1Br ZINC000876615571 623660468 /nfs/dbraw/zinc/66/04/68/623660468.db2.gz ICHNIOHNXNFPNH-UHFFFAOYSA-N 1 2 321.218 3.490 20 10 DGCDLO Oc1c(CN2CCCC[C@H]([NH+]3CCCC3)C2)ccc(F)c1F ZINC000876662462 623673336 /nfs/dbraw/zinc/67/33/36/623673336.db2.gz LNWHQUMGSREOCL-AWEZNQCLSA-N 1 2 310.388 3.121 20 10 DGCDLO Cc1ccc(C[N@H+](C)Cc2nccn2CC(F)(F)F)c(O)c1 ZINC000876685457 623682395 /nfs/dbraw/zinc/68/23/95/623682395.db2.gz QXPHSWZXBZRYAC-UHFFFAOYSA-N 1 2 313.323 3.091 20 10 DGCDLO Cc1ccc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)c(O)c1 ZINC000876685457 623682397 /nfs/dbraw/zinc/68/23/97/623682397.db2.gz QXPHSWZXBZRYAC-UHFFFAOYSA-N 1 2 313.323 3.091 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C[C@H]1F ZINC000779148213 623735724 /nfs/dbraw/zinc/73/57/24/623735724.db2.gz GYBCNLOWEXVILV-BXKDBHETSA-N 1 2 302.187 3.335 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1F ZINC000779148213 623735726 /nfs/dbraw/zinc/73/57/26/623735726.db2.gz GYBCNLOWEXVILV-BXKDBHETSA-N 1 2 302.187 3.335 20 10 DGCDLO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(Cl)c1O ZINC000779432189 623770638 /nfs/dbraw/zinc/77/06/38/623770638.db2.gz NLCKCGIOSRQTPV-MLGOLLRUSA-N 1 2 311.809 3.257 20 10 DGCDLO Oc1c(C[NH2+]Cc2ccc3c(n2)CCCC3)ccc(F)c1F ZINC000877480449 623903345 /nfs/dbraw/zinc/90/33/45/623903345.db2.gz VWDHJFIOLRGLOT-UHFFFAOYSA-N 1 2 304.340 3.234 20 10 DGCDLO Cn1cc(C(F)F)c(C[NH2+]Cc2cc(Cl)cc(F)c2O)n1 ZINC000877734490 624008490 /nfs/dbraw/zinc/00/84/90/624008490.db2.gz VAOVPFRCEAQMDS-UHFFFAOYSA-N 1 2 319.714 3.146 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)CCO1 ZINC000781896679 624166648 /nfs/dbraw/zinc/16/66/48/624166648.db2.gz MHZLNPLZXSLCOL-GFCCVEGCSA-N 1 2 314.223 3.074 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)CCO1 ZINC000781896679 624166649 /nfs/dbraw/zinc/16/66/49/624166649.db2.gz MHZLNPLZXSLCOL-GFCCVEGCSA-N 1 2 314.223 3.074 20 10 DGCDLO CO[C@H](C)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000785571867 624689251 /nfs/dbraw/zinc/68/92/51/624689251.db2.gz BWQUZEAMCFGEJS-HTQZYQBOSA-N 1 2 322.630 3.494 20 10 DGCDLO Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000786579193 624925067 /nfs/dbraw/zinc/92/50/67/624925067.db2.gz MZPKUBSNYCPHEG-OAHLLOKOSA-N 1 2 323.795 3.186 20 10 DGCDLO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000787441546 625011069 /nfs/dbraw/zinc/01/10/69/625011069.db2.gz XNXGYEFCHLRTBK-MRXNPFEDSA-N 1 2 322.424 3.198 20 10 DGCDLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000787441546 625011072 /nfs/dbraw/zinc/01/10/72/625011072.db2.gz XNXGYEFCHLRTBK-MRXNPFEDSA-N 1 2 322.424 3.198 20 10 DGCDLO COCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000134906310 626891298 /nfs/dbraw/zinc/89/12/98/626891298.db2.gz RGTPNAQZPQZVPW-ZETCQYMHSA-N 1 2 308.603 3.105 20 10 DGCDLO OC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(F)c1 ZINC000790966353 625724663 /nfs/dbraw/zinc/72/46/63/625724663.db2.gz MAYXATSVLADYLR-ZDUSSCGKSA-N 1 2 313.731 3.147 20 10 DGCDLO OC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccsc1 ZINC000790989453 625731829 /nfs/dbraw/zinc/73/18/29/625731829.db2.gz DCRVKBDQFMVYFQ-LLVKDONJSA-N 1 2 301.770 3.069 20 10 DGCDLO OCCC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000883016656 625898678 /nfs/dbraw/zinc/89/86/78/625898678.db2.gz HJXIKSFUXVHFLS-MRXNPFEDSA-N 1 2 307.340 3.274 20 10 DGCDLO CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883100457 625927775 /nfs/dbraw/zinc/92/77/75/625927775.db2.gz YKGHINVSVPVUJI-YUMQZZPRSA-N 1 2 322.630 3.321 20 10 DGCDLO CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883122743 625933623 /nfs/dbraw/zinc/93/36/23/625933623.db2.gz YKGHINVSVPVUJI-HTQZYQBOSA-N 1 2 322.630 3.321 20 10 DGCDLO Oc1ccc2oc3c(c2c1C[NH+]1CC(OC(F)F)C1)CCCC3 ZINC000797820839 626171155 /nfs/dbraw/zinc/17/11/55/626171155.db2.gz QAQONVROSHZNIN-UHFFFAOYSA-N 1 2 323.339 3.441 20 10 DGCDLO OC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)CC1CCCC1 ZINC000798961388 626262970 /nfs/dbraw/zinc/26/29/70/626262970.db2.gz YXIIJHSYACVMGT-GFCCVEGCSA-N 1 2 315.816 3.463 20 10 DGCDLO CC[C@H]([NH2+][C@H](CCO)CSC)c1cccc(Cl)c1O ZINC000806139442 626701041 /nfs/dbraw/zinc/70/10/41/626701041.db2.gz AOHCBJOULBEIHJ-MFKMUULPSA-N 1 2 303.855 3.200 20 10 DGCDLO CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cccc(Cl)c1O ZINC000806146625 626702397 /nfs/dbraw/zinc/70/23/97/626702397.db2.gz WCLABVWYSNMSRN-ZDUSSCGKSA-N 1 2 312.841 3.391 20 10 DGCDLO Cn1ccnc1[C@@H]1[N@H+](Cc2c(O)ccc3ccncc32)CC1(C)C ZINC000840110654 626765429 /nfs/dbraw/zinc/76/54/29/626765429.db2.gz SFNIIKAPOBDUEE-KRWDZBQOSA-N 1 2 322.412 3.257 20 10 DGCDLO Cn1ccnc1[C@@H]1[N@@H+](Cc2c(O)ccc3ccncc32)CC1(C)C ZINC000840110654 626765430 /nfs/dbraw/zinc/76/54/30/626765430.db2.gz SFNIIKAPOBDUEE-KRWDZBQOSA-N 1 2 322.412 3.257 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@H](C)[S@]1=O ZINC000809700119 626938045 /nfs/dbraw/zinc/93/80/45/626938045.db2.gz XVLDTHDGWDOUHA-GZNWPSJOSA-N 1 2 315.866 3.085 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@H](C)[S@]1=O ZINC000809700119 626938049 /nfs/dbraw/zinc/93/80/49/626938049.db2.gz XVLDTHDGWDOUHA-GZNWPSJOSA-N 1 2 315.866 3.085 20 10 DGCDLO Cc1cccc2c1OC[C@@H]([NH2+]Cc1cccc(Cl)c1O)C2 ZINC000811517922 627286322 /nfs/dbraw/zinc/28/63/22/627286322.db2.gz DIHDIMXKBPGFSP-AWEZNQCLSA-N 1 2 303.789 3.447 20 10 DGCDLO CC[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000813883298 627518681 /nfs/dbraw/zinc/51/86/81/627518681.db2.gz CCIPYUOIGDMHHN-APPZFPTMSA-N 1 2 322.630 3.230 20 10 DGCDLO Cc1cc(C[N@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)ccc1N(C)C ZINC000815055756 627619818 /nfs/dbraw/zinc/61/98/18/627619818.db2.gz MIEVLLJEYZSRRZ-WFASDCNBSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C(F)(F)F)C2)ccc1N(C)C ZINC000815055756 627619822 /nfs/dbraw/zinc/61/98/22/627619822.db2.gz MIEVLLJEYZSRRZ-WFASDCNBSA-N 1 2 316.367 3.213 20 10 DGCDLO Oc1c(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)ccc2ccccc21 ZINC000816513779 627799182 /nfs/dbraw/zinc/79/91/82/627799182.db2.gz BKOUKNGAHJGBDK-AWEZNQCLSA-N 1 2 311.303 3.309 20 10 DGCDLO Oc1c(C[N@H+]2CCO[C@H](C(F)(F)F)C2)ccc2ccccc21 ZINC000816513779 627799186 /nfs/dbraw/zinc/79/91/86/627799186.db2.gz BKOUKNGAHJGBDK-AWEZNQCLSA-N 1 2 311.303 3.309 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)Cc1ccccc1 ZINC000816625116 627816722 /nfs/dbraw/zinc/81/67/22/627816722.db2.gz RVMKQJHKIDYCGW-OAHLLOKOSA-N 1 2 323.795 3.220 20 10 DGCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)Cc1ccccc1 ZINC000816625116 627816725 /nfs/dbraw/zinc/81/67/25/627816725.db2.gz RVMKQJHKIDYCGW-OAHLLOKOSA-N 1 2 323.795 3.220 20 10 DGCDLO Cc1cccc(C[N@@H+]2Cc3cnn(-c4ccccc4)c3C2)c1O ZINC000816669090 627823824 /nfs/dbraw/zinc/82/38/24/627823824.db2.gz GOIOCYLUHTWPHH-UHFFFAOYSA-N 1 2 305.381 3.402 20 10 DGCDLO Cc1cccc(C[N@H+]2Cc3cnn(-c4ccccc4)c3C2)c1O ZINC000816669090 627823826 /nfs/dbraw/zinc/82/38/26/627823826.db2.gz GOIOCYLUHTWPHH-UHFFFAOYSA-N 1 2 305.381 3.402 20 10 DGCDLO CC(C)n1cc(C(C)(C)[NH2+]Cc2cccc(Cl)c2O)nn1 ZINC000817420288 627898384 /nfs/dbraw/zinc/89/83/84/627898384.db2.gz QEIIJHHUVQUXOI-UHFFFAOYSA-N 1 2 308.813 3.243 20 10 DGCDLO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cccc(Cl)c1O ZINC000817585221 627925953 /nfs/dbraw/zinc/92/59/53/627925953.db2.gz CRCVQWVBPRWMPF-LALPHHSUSA-N 1 2 324.852 3.378 20 10 DGCDLO CCCN1C[C@@H](C[NH2+][C@H](CC)c2cccc(Cl)c2O)CC1=O ZINC000817588997 627927463 /nfs/dbraw/zinc/92/74/63/627927463.db2.gz KQIBZEQHIDCJEZ-IUODEOHRSA-N 1 2 324.852 3.345 20 10 DGCDLO C[N@H+](Cc1nccs1)Cc1ccc(Br)cc1O ZINC000824849910 628699951 /nfs/dbraw/zinc/69/99/51/628699951.db2.gz IPCOHPBALSWYAJ-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO C[N@@H+](Cc1nccs1)Cc1ccc(Br)cc1O ZINC000824849910 628699954 /nfs/dbraw/zinc/69/99/54/628699954.db2.gz IPCOHPBALSWYAJ-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C)c1 ZINC000824846631 628700183 /nfs/dbraw/zinc/70/01/83/628700183.db2.gz UTEZTZWYKSNWFZ-WBMJQRKESA-N 1 2 309.406 3.028 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000824932184 628708990 /nfs/dbraw/zinc/70/89/90/628708990.db2.gz JZMLMPCWPUWXCW-GDBMZVCRSA-N 1 2 318.804 3.451 20 10 DGCDLO COc1cccc(C[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)c1O ZINC000825046804 628720460 /nfs/dbraw/zinc/72/04/60/628720460.db2.gz YBEANNYNOHPRBK-INIZCTEOSA-N 1 2 317.360 3.113 20 10 DGCDLO COc1cccc(C[N@H+]2CCOC[C@H]2c2ccc(F)cc2)c1O ZINC000825046804 628720462 /nfs/dbraw/zinc/72/04/62/628720462.db2.gz YBEANNYNOHPRBK-INIZCTEOSA-N 1 2 317.360 3.113 20 10 DGCDLO COCC1(C2CCC2)C[NH+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000827011547 628912765 /nfs/dbraw/zinc/91/27/65/628912765.db2.gz KPJFAYOEVAJECC-UHFFFAOYSA-N 1 2 313.800 3.433 20 10 DGCDLO C[C@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000827855693 628997566 /nfs/dbraw/zinc/99/75/66/628997566.db2.gz GRZSBBRLCHGOTH-BONVTDFDSA-N 1 2 309.768 3.396 20 10 DGCDLO CCCCOCCC[NH2+]Cc1cccc(Br)c1O ZINC000101588416 629743111 /nfs/dbraw/zinc/74/31/11/629743111.db2.gz RLWBXKNCCNKWDP-UHFFFAOYSA-N 1 2 316.239 3.451 20 10 DGCDLO CC[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cc(Cl)ccc1O ZINC000834872513 629794255 /nfs/dbraw/zinc/79/42/55/629794255.db2.gz YFRMFNAFYFLPKI-GFCCVEGCSA-N 1 2 306.797 3.282 20 10 DGCDLO OC[C@H](C[NH2+]Cc1cccc(Cl)c1O)c1ccc(F)cc1 ZINC000840964260 630387140 /nfs/dbraw/zinc/38/71/40/630387140.db2.gz VOGOVTHXRGRKBI-ZDUSSCGKSA-N 1 2 309.768 3.050 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+][C@H](C)c2csnn2)cc1F ZINC000840969799 630388638 /nfs/dbraw/zinc/38/86/38/630388638.db2.gz KHVQTQZBPMTQBK-LLVKDONJSA-N 1 2 308.426 3.374 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000841068858 630404484 /nfs/dbraw/zinc/40/44/84/630404484.db2.gz JCINWPPMTZDZGK-INIZCTEOSA-N 1 2 302.805 3.022 20 10 DGCDLO COCC1(CC[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000842728913 630568798 /nfs/dbraw/zinc/56/87/98/630568798.db2.gz LNLNAHTUKSMKHV-UHFFFAOYSA-N 1 2 314.223 3.061 20 10 DGCDLO CC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cccc(Cl)c1O ZINC000842886596 630589645 /nfs/dbraw/zinc/58/96/45/630589645.db2.gz SQBMXTRIQKZHOL-ZIAGYGMSSA-N 1 2 324.852 3.486 20 10 DGCDLO CC[N@H+](C)[C@@H](c1nc(Cc2ccc(N)cc2)no1)c1ccccc1 ZINC000843161469 630623577 /nfs/dbraw/zinc/62/35/77/630623577.db2.gz VEDPSLCTQSJDTQ-GOSISDBHSA-N 1 2 322.412 3.284 20 10 DGCDLO CC[N@@H+](C)[C@@H](c1nc(Cc2ccc(N)cc2)no1)c1ccccc1 ZINC000843161469 630623579 /nfs/dbraw/zinc/62/35/79/630623579.db2.gz VEDPSLCTQSJDTQ-GOSISDBHSA-N 1 2 322.412 3.284 20 10 DGCDLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]1SC ZINC000843429550 630657550 /nfs/dbraw/zinc/65/75/50/630657550.db2.gz FRVGGUCVOCTVMH-BZPMIXESSA-N 1 2 301.839 3.044 20 10 DGCDLO Cc1cc(C[N@@H+]2Cc3ccccc3NC(=O)C2)ccc1N(C)C ZINC000847048972 631390777 /nfs/dbraw/zinc/39/07/77/631390777.db2.gz MBKAUYVGPGJZBZ-UHFFFAOYSA-N 1 2 309.413 3.015 20 10 DGCDLO Cc1cc(C[N@H+]2Cc3ccccc3NC(=O)C2)ccc1N(C)C ZINC000847048972 631390781 /nfs/dbraw/zinc/39/07/81/631390781.db2.gz MBKAUYVGPGJZBZ-UHFFFAOYSA-N 1 2 309.413 3.015 20 10 DGCDLO C[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)C(=O)OC(C)(C)C ZINC000848562107 631693793 /nfs/dbraw/zinc/69/37/93/631693793.db2.gz HCOYTYKUXPWYNG-NXEZZACHSA-N 1 2 315.360 3.299 20 10 DGCDLO C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)C(=O)OC(C)(C)C ZINC000848562110 631693984 /nfs/dbraw/zinc/69/39/84/631693984.db2.gz HCOYTYKUXPWYNG-UWVGGRQHSA-N 1 2 315.360 3.299 20 10 DGCDLO C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1cc(F)cc(F)c1O ZINC000848568309 631696965 /nfs/dbraw/zinc/69/69/65/631696965.db2.gz FFVQIIGRHYWGQT-XZJROXQQSA-N 1 2 310.388 3.338 20 10 DGCDLO CCc1cccc(C[N@H+](CC(=O)OC)Cc2ccccc2)c1O ZINC000848882555 631769655 /nfs/dbraw/zinc/76/96/55/631769655.db2.gz SXLBEQALSFIDFG-UHFFFAOYSA-N 1 2 313.397 3.130 20 10 DGCDLO CCc1cccc(C[N@@H+](CC(=O)OC)Cc2ccccc2)c1O ZINC000848882555 631769670 /nfs/dbraw/zinc/76/96/70/631769670.db2.gz SXLBEQALSFIDFG-UHFFFAOYSA-N 1 2 313.397 3.130 20 10 DGCDLO CC(C)(C)N1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000850351930 632121895 /nfs/dbraw/zinc/12/18/95/632121895.db2.gz XISIXWGMWZLNSP-JTQLQIEISA-N 1 2 300.805 3.147 20 10 DGCDLO Oc1cccc2c1[C@H](N[C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000850538925 632187093 /nfs/dbraw/zinc/18/70/93/632187093.db2.gz OGWGKIGDIHOKQL-NVXWUHKLSA-N 1 2 300.446 3.376 20 10 DGCDLO Oc1cccc2c1[C@H](N[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000850538925 632187100 /nfs/dbraw/zinc/18/71/00/632187100.db2.gz OGWGKIGDIHOKQL-NVXWUHKLSA-N 1 2 300.446 3.376 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000707140243 660887050 /nfs/dbraw/zinc/88/70/50/660887050.db2.gz OONJAKYWLBGTQH-WDEREUQCSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000707140243 660887053 /nfs/dbraw/zinc/88/70/53/660887053.db2.gz OONJAKYWLBGTQH-WDEREUQCSA-N 1 2 314.223 3.154 20 10 DGCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000708056471 660916956 /nfs/dbraw/zinc/91/69/56/660916956.db2.gz LOPGHYSSUDSRIO-JTQLQIEISA-N 1 2 320.614 3.077 20 10 DGCDLO CCC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000709023214 660923416 /nfs/dbraw/zinc/92/34/16/660923416.db2.gz ZLVRQTHLBQXHHJ-LLVKDONJSA-N 1 2 314.223 3.156 20 10 DGCDLO CCC[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC000709023214 660923418 /nfs/dbraw/zinc/92/34/18/660923418.db2.gz ZLVRQTHLBQXHHJ-LLVKDONJSA-N 1 2 314.223 3.156 20 10 DGCDLO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)no1 ZINC000792933011 660995184 /nfs/dbraw/zinc/99/51/84/660995184.db2.gz WSOZGFBIJJNUEO-UHFFFAOYSA-N 1 2 313.323 3.358 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000793620880 661050647 /nfs/dbraw/zinc/05/06/47/661050647.db2.gz RXHYSTSKEBPCGB-UHFFFAOYSA-N 1 2 309.772 3.007 20 10 DGCDLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000179194825 658380334 /nfs/dbraw/zinc/38/03/34/658380334.db2.gz KYVMXMMOINUEBQ-OAHLLOKOSA-N 1 2 304.434 3.060 20 10 DGCDLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000179194825 658380344 /nfs/dbraw/zinc/38/03/44/658380344.db2.gz KYVMXMMOINUEBQ-OAHLLOKOSA-N 1 2 304.434 3.060 20 10 DGCDLO C[C@@H](Cc1ccco1)[NH2+]Cc1cccc(Br)c1O ZINC000042412003 658772699 /nfs/dbraw/zinc/77/26/99/658772699.db2.gz ZSFBLSDZBVYBJJ-JTQLQIEISA-N 1 2 310.191 3.469 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCCS1 ZINC000087473298 659214073 /nfs/dbraw/zinc/21/40/73/659214073.db2.gz CPHRVFNVOHGGJI-JTQLQIEISA-N 1 2 302.237 3.140 20 10 DGCDLO Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)c(C)n1-c1ccccc1C ZINC000171754992 659296835 /nfs/dbraw/zinc/29/68/35/659296835.db2.gz VJLSGEOENAQPQF-UHFFFAOYSA-N 1 2 322.412 3.098 20 10 DGCDLO COCCC(C)(C)C[NH2+]Cc1cccc(Br)c1O ZINC000230863869 659355029 /nfs/dbraw/zinc/35/50/29/659355029.db2.gz YJTYGTIKGAKDNY-UHFFFAOYSA-N 1 2 316.239 3.307 20 10 DGCDLO C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H]1C[NH3+] ZINC000070175416 660040502 /nfs/dbraw/zinc/04/05/02/660040502.db2.gz GJHIXPPGJTXDGU-TVQRCGJNSA-N 1 2 303.233 3.258 20 10 DGCDLO CC(C)SCC[NH2+]Cc1cccc(Br)c1O ZINC000380778342 685153722 /nfs/dbraw/zinc/15/37/22/685153722.db2.gz BETCYKRQSMKJIR-UHFFFAOYSA-N 1 2 304.253 3.386 20 10 DGCDLO Cn1cc(Cl)c(C[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000393405276 685217510 /nfs/dbraw/zinc/21/75/10/685217510.db2.gz IAAWBOJAOFGYFR-UHFFFAOYSA-N 1 2 318.852 3.354 20 10 DGCDLO C[C@H](Nc1cccc(C2CC2)[nH+]1)c1cccc(-c2nn[nH]n2)c1O ZINC001589983985 1192481364 /nfs/dbraw/zinc/48/13/64/1192481364.db2.gz IGWQEVWMMVGSHK-JTQLQIEISA-N 1 2 322.372 3.018 20 10 DGCDLO COC(=O)C[N@H+](CC1=CCCC1)Cc1cc(Cl)ccc1O ZINC001642072273 1194886450 /nfs/dbraw/zinc/88/64/50/1194886450.db2.gz XLEXIUQEYPGNLB-UHFFFAOYSA-N 1 2 309.793 3.131 20 10 DGCDLO COC(=O)C[N@@H+](CC1=CCCC1)Cc1cc(Cl)ccc1O ZINC001642072273 1194886453 /nfs/dbraw/zinc/88/64/53/1194886453.db2.gz XLEXIUQEYPGNLB-UHFFFAOYSA-N 1 2 309.793 3.131 20 10 DGCDLO COc1ccc(O)c(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)c1 ZINC001462266509 1182931592 /nfs/dbraw/zinc/93/15/92/1182931592.db2.gz PETRMGJMXXNTDG-UHFFFAOYSA-N 1 2 324.384 3.117 20 10 DGCDLO COc1cccc2c1CC[N@H+](Cc1cc(F)cc(F)c1O)C2 ZINC001474436749 1183921775 /nfs/dbraw/zinc/92/17/75/1183921775.db2.gz NBZLVDBRZLBRFC-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1cccc2c1CC[N@@H+](Cc1cc(F)cc(F)c1O)C2 ZINC001474436749 1183921777 /nfs/dbraw/zinc/92/17/77/1183921777.db2.gz NBZLVDBRZLBRFC-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)cc(F)c1O)CC2 ZINC001474453749 1183924615 /nfs/dbraw/zinc/92/46/15/1183924615.db2.gz YJWWFEIYKPAJKO-UHFFFAOYSA-N 1 2 319.351 3.280 20 10 DGCDLO COc1ccc2c(c1)CC[N@H+](Cc1cc(F)cc(F)c1O)CC2 ZINC001474453749 1183924617 /nfs/dbraw/zinc/92/46/17/1183924617.db2.gz YJWWFEIYKPAJKO-UHFFFAOYSA-N 1 2 319.351 3.280 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(Br)cc(F)c2O)CCS1 ZINC001560979427 1189414422 /nfs/dbraw/zinc/41/44/22/1189414422.db2.gz IQHCVRROSBMMIK-MRVPVSSYSA-N 1 2 320.227 3.231 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)CCS1 ZINC001560979427 1189414425 /nfs/dbraw/zinc/41/44/25/1189414425.db2.gz IQHCVRROSBMMIK-MRVPVSSYSA-N 1 2 320.227 3.231 20 10 DGCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H](O)Cc1ccccc1 ZINC001650807852 1195385423 /nfs/dbraw/zinc/38/54/23/1195385423.db2.gz QGOVTOZTFODKFB-ZBEGNZNMSA-N 1 2 323.795 3.266 20 10 DGCDLO Oc1ccc(F)cc1C[NH+]1CC(OCCCc2ccccc2)C1 ZINC001652625634 1195627556 /nfs/dbraw/zinc/62/75/56/1195627556.db2.gz IDOKKOJMMAYRJJ-UHFFFAOYSA-N 1 2 315.388 3.365 20 10 DGCDLO Cc1cc(C[N@@H+](C)Cc2ncccn2)ccc1N1CCCCC1 ZINC001654634960 1195824707 /nfs/dbraw/zinc/82/47/07/1195824707.db2.gz YVLZMGVAHYWVSH-UHFFFAOYSA-N 1 2 310.445 3.407 20 10 DGCDLO Cc1cc(C[N@H+](C)Cc2ncccn2)ccc1N1CCCCC1 ZINC001654634960 1195824709 /nfs/dbraw/zinc/82/47/09/1195824709.db2.gz YVLZMGVAHYWVSH-UHFFFAOYSA-N 1 2 310.445 3.407 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)c1ccccc1F ZINC001655399605 1195912279 /nfs/dbraw/zinc/91/22/79/1195912279.db2.gz LLIHEHPFUFHEIT-AWEZNQCLSA-N 1 2 313.731 3.147 20 10 DGCDLO Cc1cccc2nc(C[NH2+]Cc3cc(Cl)cc(F)c3O)cn21 ZINC001655599921 1195938080 /nfs/dbraw/zinc/93/80/80/1195938080.db2.gz IHYKUWMGQUIMHF-UHFFFAOYSA-N 1 2 319.767 3.431 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001657195285 1196116826 /nfs/dbraw/zinc/11/68/26/1196116826.db2.gz YQHOKLASSHJIQB-DOMZBBRYSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001657195285 1196116828 /nfs/dbraw/zinc/11/68/28/1196116828.db2.gz YQHOKLASSHJIQB-DOMZBBRYSA-N 1 2 316.367 3.213 20 10 DGCDLO CC1(C)CCc2onc(C[NH2+]Cc3cc(F)c(F)cc3O)c2C1 ZINC001659947181 1196431215 /nfs/dbraw/zinc/43/12/15/1196431215.db2.gz FMGJMNATZXFYOC-UHFFFAOYSA-N 1 2 322.355 3.463 20 10 DGCDLO C[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)[C@H]1C(=O)OC(C)(C)C ZINC001660080418 1196443496 /nfs/dbraw/zinc/44/34/96/1196443496.db2.gz GCQCTUKCFXFJKT-IUODEOHRSA-N 1 2 323.408 3.474 20 10 DGCDLO C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)[C@H]1C(=O)OC(C)(C)C ZINC001660080418 1196443497 /nfs/dbraw/zinc/44/34/97/1196443497.db2.gz GCQCTUKCFXFJKT-IUODEOHRSA-N 1 2 323.408 3.474 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@@H+]2Cc3ccccc3NC(=O)C2)c1 ZINC001660132533 1196450020 /nfs/dbraw/zinc/45/00/20/1196450020.db2.gz WINZHVCWEBGFKP-UHFFFAOYSA-N 1 2 310.397 3.470 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@H+]2Cc3ccccc3NC(=O)C2)c1 ZINC001660132533 1196450023 /nfs/dbraw/zinc/45/00/23/1196450023.db2.gz WINZHVCWEBGFKP-UHFFFAOYSA-N 1 2 310.397 3.470 20 10 DGCDLO COc1nc(C)cc(C)c1C[N@H+](C)Cc1cc(F)cc(F)c1O ZINC001660361101 1196475432 /nfs/dbraw/zinc/47/54/32/1196475432.db2.gz KRVBVLQIUQLDEQ-UHFFFAOYSA-N 1 2 322.355 3.323 20 10 DGCDLO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC001660361101 1196475435 /nfs/dbraw/zinc/47/54/35/1196475435.db2.gz KRVBVLQIUQLDEQ-UHFFFAOYSA-N 1 2 322.355 3.323 20 10 DGCDLO OC[C@H]([NH2+]Cc1cccc(Cl)c1O)c1cc(F)ccc1F ZINC001660897363 1196540057 /nfs/dbraw/zinc/54/00/57/1196540057.db2.gz AYODRQYDKQCPNI-AWEZNQCLSA-N 1 2 313.731 3.147 20 10 DGCDLO Oc1cccc(F)c1C[NH2+]Cc1nc(Br)cs1 ZINC001665713001 1197179371 /nfs/dbraw/zinc/17/93/71/1197179371.db2.gz XBROFTFZOPVFMK-UHFFFAOYSA-N 1 2 317.183 3.040 20 10 DGCDLO CC[C@@H]1COCC[N@H+]1Cc1cc(C)c(Br)cc1O ZINC001250134203 1105450955 /nfs/dbraw/zinc/45/09/55/1105450955.db2.gz XKPFIXZOUFOJRS-GFCCVEGCSA-N 1 2 314.223 3.074 20 10 DGCDLO Oc1cc(Cl)ccc1C[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001140466117 1082278846 /nfs/dbraw/zinc/27/88/46/1082278846.db2.gz XRHRNCMELMRQSX-INIZCTEOSA-N 1 2 304.777 3.014 20 10 DGCDLO Oc1cc(Cl)ccc1C[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001140466117 1082278853 /nfs/dbraw/zinc/27/88/53/1082278853.db2.gz XRHRNCMELMRQSX-INIZCTEOSA-N 1 2 304.777 3.014 20 10 DGCDLO OC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)Cc1ccccc1 ZINC001648916658 1082565969 /nfs/dbraw/zinc/56/59/69/1082565969.db2.gz DWRIBBKJPYNUOM-CYBMUJFWSA-N 1 2 323.795 3.126 20 10 DGCDLO C[C@H](Cc1ccccn1)[NH2+]Cc1cccc(Br)c1O ZINC000694083187 1082910173 /nfs/dbraw/zinc/91/01/73/1082910173.db2.gz WFVWSWDALLLSOM-LLVKDONJSA-N 1 2 321.218 3.271 20 10 DGCDLO COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)cc(F)c1O)C2 ZINC001182910706 1083838570 /nfs/dbraw/zinc/83/85/70/1083838570.db2.gz PGRYXBFHJFNTKX-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO C[N@@H+]1CCN(Cc2cc(F)c(F)cc2O)C[C@@H]1c1ccccc1 ZINC001142520739 1087276170 /nfs/dbraw/zinc/27/61/70/1087276170.db2.gz OVBCYTZLEPSKFT-QGZVFWFLSA-N 1 2 318.367 3.159 20 10 DGCDLO C[N@H+]1CCN(Cc2cc(F)c(F)cc2O)C[C@@H]1c1ccccc1 ZINC001142520739 1087276174 /nfs/dbraw/zinc/27/61/74/1087276174.db2.gz OVBCYTZLEPSKFT-QGZVFWFLSA-N 1 2 318.367 3.159 20 10 DGCDLO CN1CC[N@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1c1ccccc1 ZINC001142520739 1087276179 /nfs/dbraw/zinc/27/61/79/1087276179.db2.gz OVBCYTZLEPSKFT-QGZVFWFLSA-N 1 2 318.367 3.159 20 10 DGCDLO CN1CC[N@@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1c1ccccc1 ZINC001142520739 1087276182 /nfs/dbraw/zinc/27/61/82/1087276182.db2.gz OVBCYTZLEPSKFT-QGZVFWFLSA-N 1 2 318.367 3.159 20 10 DGCDLO C[N@H+](Cc1nc(Br)cs1)Cc1ccccc1O ZINC001137782629 1087835801 /nfs/dbraw/zinc/83/58/01/1087835801.db2.gz ZKJJQSWEDSPPDE-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO C[N@@H+](Cc1nc(Br)cs1)Cc1ccccc1O ZINC001137782629 1087835827 /nfs/dbraw/zinc/83/58/27/1087835827.db2.gz ZKJJQSWEDSPPDE-UHFFFAOYSA-N 1 2 313.220 3.243 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)c(Cl)c1 ZINC001236800081 1089908898 /nfs/dbraw/zinc/90/88/98/1089908898.db2.gz WROAASVGRUIXHC-KBPBESRZSA-N 1 2 305.752 3.326 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)c(Cl)c1 ZINC001236800081 1089908912 /nfs/dbraw/zinc/90/89/12/1089908912.db2.gz WROAASVGRUIXHC-KBPBESRZSA-N 1 2 305.752 3.326 20 10 DGCDLO Oc1cc(Cl)c(F)cc1C[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001237950181 1090331170 /nfs/dbraw/zinc/33/11/70/1090331170.db2.gz QUKHXHHUPOLNHI-VIFPVBQESA-N 1 2 305.777 3.214 20 10 DGCDLO Oc1ccccc1C[N@@H+]1CCc2ncc(Br)cc2C1 ZINC001203556605 1090755600 /nfs/dbraw/zinc/75/56/00/1090755600.db2.gz VGFJQDFEMPQZFF-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1ccccc1C[N@H+]1CCc2ncc(Br)cc2C1 ZINC001203556605 1090755602 /nfs/dbraw/zinc/75/56/02/1090755602.db2.gz VGFJQDFEMPQZFF-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO CC[NH+]1C[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2C1 ZINC001203587026 1090762225 /nfs/dbraw/zinc/76/22/25/1090762225.db2.gz YSQNKJWSPSTZDS-VXGBXAGGSA-N 1 2 315.244 3.083 20 10 DGCDLO COc1ccc(O)c(C[N@@H+]2CCc3ncc(Cl)cc3C2)c1 ZINC001203681278 1090780137 /nfs/dbraw/zinc/78/01/37/1090780137.db2.gz SDXGSIHJARCJRN-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1ccc(O)c(C[N@H+]2CCc3ncc(Cl)cc3C2)c1 ZINC001203681278 1090780138 /nfs/dbraw/zinc/78/01/38/1090780138.db2.gz SDXGSIHJARCJRN-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCc3ncc(Cl)cc3C2)cc1 ZINC001203937480 1090844411 /nfs/dbraw/zinc/84/44/11/1090844411.db2.gz RQJLIALUTGKKGH-UHFFFAOYSA-N 1 2 301.821 3.359 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCc3ncc(Cl)cc3C2)cc1 ZINC001203937480 1090844419 /nfs/dbraw/zinc/84/44/19/1090844419.db2.gz RQJLIALUTGKKGH-UHFFFAOYSA-N 1 2 301.821 3.359 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cc(F)cc(F)c1)CCC2 ZINC001204232057 1090929737 /nfs/dbraw/zinc/92/97/37/1090929737.db2.gz DZBFGPPLCWCDTI-UHFFFAOYSA-N 1 2 305.324 3.324 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cc(F)cc(F)c1)CCC2 ZINC001204232057 1090929742 /nfs/dbraw/zinc/92/97/42/1090929742.db2.gz DZBFGPPLCWCDTI-UHFFFAOYSA-N 1 2 305.324 3.324 20 10 DGCDLO COc1cccc(F)c1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001138387154 1091163555 /nfs/dbraw/zinc/16/35/55/1091163555.db2.gz ZPJPEXRTHCUOMU-UHFFFAOYSA-N 1 2 317.360 3.194 20 10 DGCDLO COc1cccc(F)c1C[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001138387154 1091163563 /nfs/dbraw/zinc/16/35/63/1091163563.db2.gz ZPJPEXRTHCUOMU-UHFFFAOYSA-N 1 2 317.360 3.194 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC001205394424 1091210293 /nfs/dbraw/zinc/21/02/93/1091210293.db2.gz OZDUBJZRELPHTL-GFCCVEGCSA-N 1 2 313.250 3.172 20 10 DGCDLO CC[C@H]1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139132661 1091459078 /nfs/dbraw/zinc/45/90/78/1091459078.db2.gz YXHMNCXMQIHYHY-ZDUSSCGKSA-N 1 2 301.386 3.429 20 10 DGCDLO CC[C@H]1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139132661 1091459081 /nfs/dbraw/zinc/45/90/81/1091459081.db2.gz YXHMNCXMQIHYHY-ZDUSSCGKSA-N 1 2 301.386 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001139129212 1091459205 /nfs/dbraw/zinc/45/92/05/1091459205.db2.gz QSYWNRALEXDPQZ-INIZCTEOSA-N 1 2 321.323 3.038 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001139129212 1091459208 /nfs/dbraw/zinc/45/92/08/1091459208.db2.gz QSYWNRALEXDPQZ-INIZCTEOSA-N 1 2 321.323 3.038 20 10 DGCDLO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1cc(F)c(F)cc1O ZINC001206800505 1091745927 /nfs/dbraw/zinc/74/59/27/1091745927.db2.gz KTYMWBSRYNNLJV-WBMJQRKESA-N 1 2 312.404 3.223 20 10 DGCDLO C[N@@H+](Cc1cnc2ccccn12)Cc1c(O)cccc1Cl ZINC001140338144 1091833631 /nfs/dbraw/zinc/83/36/31/1091833631.db2.gz XAISPNVCMGVDAS-UHFFFAOYSA-N 1 2 301.777 3.325 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001140583290 1091919870 /nfs/dbraw/zinc/91/98/70/1091919870.db2.gz CVUKAFJXYRRLIX-AWEZNQCLSA-N 1 2 304.340 3.273 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001140583290 1091919877 /nfs/dbraw/zinc/91/98/77/1091919877.db2.gz CVUKAFJXYRRLIX-AWEZNQCLSA-N 1 2 304.340 3.273 20 10 DGCDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)cc(F)cc1F ZINC001140584613 1091920061 /nfs/dbraw/zinc/92/00/61/1091920061.db2.gz YUIHJTALVRSZCA-UHFFFAOYSA-N 1 2 307.296 3.031 20 10 DGCDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)cc(F)cc1F ZINC001140584613 1091920064 /nfs/dbraw/zinc/92/00/64/1091920064.db2.gz YUIHJTALVRSZCA-UHFFFAOYSA-N 1 2 307.296 3.031 20 10 DGCDLO CC1([NH+]2CCCC2)CCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140585958 1091921397 /nfs/dbraw/zinc/92/13/97/1091921397.db2.gz XKSLOVXQPFBMSO-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585962 1091921507 /nfs/dbraw/zinc/92/15/07/1091921507.db2.gz XLKNDZUHKDSDHJ-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585962 1091921511 /nfs/dbraw/zinc/92/15/11/1091921511.db2.gz XLKNDZUHKDSDHJ-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001140852936 1092029320 /nfs/dbraw/zinc/02/93/20/1092029320.db2.gz FXZFHXBPWBNFQK-UHFFFAOYSA-N 1 2 322.449 3.012 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001140852936 1092029331 /nfs/dbraw/zinc/02/93/31/1092029331.db2.gz FXZFHXBPWBNFQK-UHFFFAOYSA-N 1 2 322.449 3.012 20 10 DGCDLO C[N@H+]1CC=C(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC001208838756 1092536097 /nfs/dbraw/zinc/53/60/97/1092536097.db2.gz RYRBZNQCEIPQAR-UHFFFAOYSA-N 1 2 318.376 3.093 20 10 DGCDLO C[N@@H+]1CC=C(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC001208838756 1092536105 /nfs/dbraw/zinc/53/61/05/1092536105.db2.gz RYRBZNQCEIPQAR-UHFFFAOYSA-N 1 2 318.376 3.093 20 10 DGCDLO CCn1cnc2c1CC[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001336783518 1094736691 /nfs/dbraw/zinc/73/66/91/1094736691.db2.gz BDRDUTQTIAJUCB-UHFFFAOYSA-N 1 2 310.445 3.062 20 10 DGCDLO CCn1cnc2c1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001336783518 1094736702 /nfs/dbraw/zinc/73/67/02/1094736702.db2.gz BDRDUTQTIAJUCB-UHFFFAOYSA-N 1 2 310.445 3.062 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[NH+]1C2CCC1CC2 ZINC001144300098 1095592619 /nfs/dbraw/zinc/59/26/19/1095592619.db2.gz SFVMIACKKSJYRG-UHFFFAOYSA-N 1 2 300.171 3.421 20 10 DGCDLO C[C@H]1CN(Cc2cccc(F)c2O)CC[N@@H+]1Cc1ccccc1 ZINC001138129404 1095898664 /nfs/dbraw/zinc/89/86/64/1095898664.db2.gz BDQGOQUSOUMZEE-HNNXBMFYSA-N 1 2 314.404 3.238 20 10 DGCDLO C[C@H]1CN(Cc2cccc(F)c2O)CC[N@H+]1Cc1ccccc1 ZINC001138129404 1095898685 /nfs/dbraw/zinc/89/86/85/1095898685.db2.gz BDQGOQUSOUMZEE-HNNXBMFYSA-N 1 2 314.404 3.238 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cccc(F)c2O)CCN1Cc1ccccc1 ZINC001138129404 1095898707 /nfs/dbraw/zinc/89/87/07/1095898707.db2.gz BDQGOQUSOUMZEE-HNNXBMFYSA-N 1 2 314.404 3.238 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCN1Cc1ccccc1 ZINC001138129404 1095898731 /nfs/dbraw/zinc/89/87/31/1095898731.db2.gz BDQGOQUSOUMZEE-HNNXBMFYSA-N 1 2 314.404 3.238 20 10 DGCDLO COc1cc(C[NH2+][C@@H](C)c2noc(C)n2)c(O)c(C(C)(C)C)c1 ZINC001118578752 1096040639 /nfs/dbraw/zinc/04/06/39/1096040639.db2.gz YHVGAVDKGLJARZ-JTQLQIEISA-N 1 2 319.405 3.241 20 10 DGCDLO Cc1cccc(CN2CC3(CC[N@@H+]3Cc3ccccc3)C2)c1O ZINC001231591849 1097786649 /nfs/dbraw/zinc/78/66/49/1097786649.db2.gz BIAUDWBZVBGWCU-UHFFFAOYSA-N 1 2 308.425 3.161 20 10 DGCDLO Cc1cccc(CN2CC3(CC[N@H+]3Cc3ccccc3)C2)c1O ZINC001231591849 1097786653 /nfs/dbraw/zinc/78/66/53/1097786653.db2.gz BIAUDWBZVBGWCU-UHFFFAOYSA-N 1 2 308.425 3.161 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccccn3)C2)cc1Cl ZINC001231870677 1097872717 /nfs/dbraw/zinc/87/27/17/1097872717.db2.gz NWAYPVVMUILOJR-KRWDZBQOSA-N 1 2 318.804 3.323 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCO[C@H](c3ccccn3)C2)cc1Cl ZINC001231870677 1097872723 /nfs/dbraw/zinc/87/27/23/1097872723.db2.gz NWAYPVVMUILOJR-KRWDZBQOSA-N 1 2 318.804 3.323 20 10 DGCDLO CCOC(=O)[C@H]1CCCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC001231912344 1097890063 /nfs/dbraw/zinc/89/00/63/1097890063.db2.gz FGLWLSRRFLSSES-ZDUSSCGKSA-N 1 2 311.809 3.211 20 10 DGCDLO CCOC(=O)[C@H]1CCCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC001231912344 1097890069 /nfs/dbraw/zinc/89/00/69/1097890069.db2.gz FGLWLSRRFLSSES-ZDUSSCGKSA-N 1 2 311.809 3.211 20 10 DGCDLO Oc1c(Cl)cccc1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC001231912164 1097890756 /nfs/dbraw/zinc/89/07/56/1097890756.db2.gz WUPNUTBBBPAWMN-UHFFFAOYSA-N 1 2 318.804 3.484 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)cc1Cl ZINC001232267103 1097987242 /nfs/dbraw/zinc/98/72/42/1097987242.db2.gz WJGINZJBLOHJAD-KBPBESRZSA-N 1 2 305.752 3.326 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)cc1Cl ZINC001232267103 1097987247 /nfs/dbraw/zinc/98/72/47/1097987247.db2.gz WJGINZJBLOHJAD-KBPBESRZSA-N 1 2 305.752 3.326 20 10 DGCDLO COc1cc(O)c(C[N@H+](C)CC(=O)c2ccccc2)cc1Cl ZINC001232267711 1097987993 /nfs/dbraw/zinc/98/79/93/1097987993.db2.gz FOCVBVVXBMUVOF-UHFFFAOYSA-N 1 2 319.788 3.369 20 10 DGCDLO COc1cc(O)c(C[N@@H+](C)CC(=O)c2ccccc2)cc1Cl ZINC001232267711 1097987999 /nfs/dbraw/zinc/98/79/99/1097987999.db2.gz FOCVBVVXBMUVOF-UHFFFAOYSA-N 1 2 319.788 3.369 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](F)C(F)(F)C2)c(O)c1 ZINC001232833500 1098148152 /nfs/dbraw/zinc/14/81/52/1098148152.db2.gz AFEHQOZICNWLHB-CQSZACIVSA-N 1 2 302.340 3.027 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H](F)C(F)(F)C2)c(O)c1 ZINC001232833500 1098148155 /nfs/dbraw/zinc/14/81/55/1098148155.db2.gz AFEHQOZICNWLHB-CQSZACIVSA-N 1 2 302.340 3.027 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCCC12CC2 ZINC001233027257 1098206506 /nfs/dbraw/zinc/20/65/06/1098206506.db2.gz PASKBIDGUIKDET-UHFFFAOYSA-N 1 2 300.171 3.422 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCCC12CC2 ZINC001233027257 1098206514 /nfs/dbraw/zinc/20/65/14/1098206514.db2.gz PASKBIDGUIKDET-UHFFFAOYSA-N 1 2 300.171 3.422 20 10 DGCDLO Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233080259 1098220449 /nfs/dbraw/zinc/22/04/49/1098220449.db2.gz UHOJKUGKIIFSRF-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233080259 1098220453 /nfs/dbraw/zinc/22/04/53/1098220453.db2.gz UHOJKUGKIIFSRF-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H](F)C2)cc1Br ZINC001233138458 1098235354 /nfs/dbraw/zinc/23/53/54/1098235354.db2.gz ABCYTNFZMVTXEE-JTQLQIEISA-N 1 2 318.186 3.097 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC[C@H](F)C2)cc1Br ZINC001233138458 1098235358 /nfs/dbraw/zinc/23/53/58/1098235358.db2.gz ABCYTNFZMVTXEE-JTQLQIEISA-N 1 2 318.186 3.097 20 10 DGCDLO Oc1ccc(F)c(F)c1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001233331887 1098291380 /nfs/dbraw/zinc/29/13/80/1098291380.db2.gz OWPLNOWEBUVDPC-UHFFFAOYSA-N 1 2 322.330 3.132 20 10 DGCDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)ccc(F)c1F ZINC001233335253 1098292410 /nfs/dbraw/zinc/29/24/10/1098292410.db2.gz NQUIPWXKRROJTM-UHFFFAOYSA-N 1 2 307.296 3.031 20 10 DGCDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)ccc(F)c1F ZINC001233335253 1098292413 /nfs/dbraw/zinc/29/24/13/1098292413.db2.gz NQUIPWXKRROJTM-UHFFFAOYSA-N 1 2 307.296 3.031 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2c(O)ccc(F)c2F)c(OC)c1 ZINC001233335062 1098292463 /nfs/dbraw/zinc/29/24/63/1098292463.db2.gz GDASDNSRVLDZIR-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2c(O)ccc(F)c2F)c(OC)c1 ZINC001233335062 1098292465 /nfs/dbraw/zinc/29/24/65/1098292465.db2.gz GDASDNSRVLDZIR-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233419010 1098324247 /nfs/dbraw/zinc/32/42/47/1098324247.db2.gz FUNJSTQXYCEBIB-ZDUSSCGKSA-N 1 2 301.308 3.355 20 10 DGCDLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233419010 1098324254 /nfs/dbraw/zinc/32/42/54/1098324254.db2.gz FUNJSTQXYCEBIB-ZDUSSCGKSA-N 1 2 301.308 3.355 20 10 DGCDLO CC(C)[C@H]1COCC[N@@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233418797 1098324271 /nfs/dbraw/zinc/32/42/71/1098324271.db2.gz WXTBGTGALJWUKB-CYBMUJFWSA-N 1 2 303.324 3.268 20 10 DGCDLO CC(C)[C@H]1COCC[N@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233418797 1098324276 /nfs/dbraw/zinc/32/42/76/1098324276.db2.gz WXTBGTGALJWUKB-CYBMUJFWSA-N 1 2 303.324 3.268 20 10 DGCDLO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](F)C(=O)C3)c2c1 ZINC001234526507 1098583914 /nfs/dbraw/zinc/58/39/14/1098583914.db2.gz WRAOREGYKJUHJE-MRXNPFEDSA-N 1 2 317.360 3.057 20 10 DGCDLO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H](F)C(=O)C3)c2c1 ZINC001234526507 1098583916 /nfs/dbraw/zinc/58/39/16/1098583916.db2.gz WRAOREGYKJUHJE-MRXNPFEDSA-N 1 2 317.360 3.057 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001235306949 1098952095 /nfs/dbraw/zinc/95/20/95/1098952095.db2.gz ZWLIZEGBRMNKNP-JWYUURKGSA-N 1 2 318.161 3.226 20 10 DGCDLO Oc1c(Br)cc(F)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001235306949 1098952106 /nfs/dbraw/zinc/95/21/06/1098952106.db2.gz ZWLIZEGBRMNKNP-JWYUURKGSA-N 1 2 318.161 3.226 20 10 DGCDLO Nc1cccc2c1CC[N@H+](Cc1cc(F)c(Cl)cc1O)C2 ZINC001236365114 1099553237 /nfs/dbraw/zinc/55/32/37/1099553237.db2.gz DENRCYRKEGWMEZ-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO Nc1cccc2c1CC[N@@H+](Cc1cc(F)c(Cl)cc1O)C2 ZINC001236365114 1099553249 /nfs/dbraw/zinc/55/32/49/1099553249.db2.gz DENRCYRKEGWMEZ-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001236665009 1099731986 /nfs/dbraw/zinc/73/19/86/1099731986.db2.gz ZZOMXQMGTWXHMU-XHVZSJERSA-N 1 2 314.198 3.253 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001236665009 1099731996 /nfs/dbraw/zinc/73/19/96/1099731996.db2.gz ZZOMXQMGTWXHMU-XHVZSJERSA-N 1 2 314.198 3.253 20 10 DGCDLO Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001236798666 1099793359 /nfs/dbraw/zinc/79/33/59/1099793359.db2.gz JSMBQIBZCQYCRQ-AWEZNQCLSA-N 1 2 302.201 3.454 20 10 DGCDLO Oc1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001236798666 1099793368 /nfs/dbraw/zinc/79/33/68/1099793368.db2.gz JSMBQIBZCQYCRQ-AWEZNQCLSA-N 1 2 302.201 3.454 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCc3ncccc3C2)c(Cl)c1 ZINC001236800978 1099793780 /nfs/dbraw/zinc/79/37/80/1099793780.db2.gz CKIZIPUQALDOPO-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCc3ncccc3C2)c(Cl)c1 ZINC001236800978 1099793784 /nfs/dbraw/zinc/79/37/84/1099793784.db2.gz CKIZIPUQALDOPO-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(O)c1Cl ZINC001236807779 1099800328 /nfs/dbraw/zinc/80/03/28/1099800328.db2.gz RBVFSSJQPIKRCF-UHFFFAOYSA-N 1 2 319.788 3.318 20 10 DGCDLO COc1ccc(C[N@H+]2CCc3cccc(O)c3C2)c(O)c1Cl ZINC001236807779 1099800342 /nfs/dbraw/zinc/80/03/42/1099800342.db2.gz RBVFSSJQPIKRCF-UHFFFAOYSA-N 1 2 319.788 3.318 20 10 DGCDLO CCC[N@H+](Cc1ccc(OC)c(Cl)c1O)C1CCOCC1 ZINC001236809991 1099800502 /nfs/dbraw/zinc/80/05/02/1099800502.db2.gz PPPZDQXOONXIGC-UHFFFAOYSA-N 1 2 313.825 3.445 20 10 DGCDLO CCC[N@@H+](Cc1ccc(OC)c(Cl)c1O)C1CCOCC1 ZINC001236809991 1099800513 /nfs/dbraw/zinc/80/05/13/1099800513.db2.gz PPPZDQXOONXIGC-UHFFFAOYSA-N 1 2 313.825 3.445 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCC[C@@H](F)C2)cc1Br ZINC001237679258 1100212412 /nfs/dbraw/zinc/21/24/12/1100212412.db2.gz ONJVFRVYWXCZCJ-LLVKDONJSA-N 1 2 302.187 3.397 20 10 DGCDLO CC[C@@H](C)[N@H+](C)Cc1cccc(I)c1O ZINC001237777936 1100246285 /nfs/dbraw/zinc/24/62/85/1100246285.db2.gz QPSAPKSEUFUDBH-SECBINFHSA-N 1 2 319.186 3.227 20 10 DGCDLO CC[C@@H](C)[N@@H+](C)Cc1cccc(I)c1O ZINC001237777936 1100246292 /nfs/dbraw/zinc/24/62/92/1100246292.db2.gz QPSAPKSEUFUDBH-SECBINFHSA-N 1 2 319.186 3.227 20 10 DGCDLO CC[N@H+](Cc1cccc(I)c1O)C(C)C ZINC001237782610 1100246735 /nfs/dbraw/zinc/24/67/35/1100246735.db2.gz FJUAGUJAFSDLRA-UHFFFAOYSA-N 1 2 319.186 3.227 20 10 DGCDLO CC[N@@H+](Cc1cccc(I)c1O)C(C)C ZINC001237782610 1100246743 /nfs/dbraw/zinc/24/67/43/1100246743.db2.gz FJUAGUJAFSDLRA-UHFFFAOYSA-N 1 2 319.186 3.227 20 10 DGCDLO CCN(CC[NH+](CC)CC)Cc1cc(F)cc(Cl)c1O ZINC001237812234 1100255144 /nfs/dbraw/zinc/25/51/44/1100255144.db2.gz FCJORXNXALYSKZ-UHFFFAOYSA-N 1 2 302.821 3.348 20 10 DGCDLO Cn1ccc2ccc(-c3cncc(C[NH+]4CCOCC4)c3)cc21 ZINC001240575240 1101055712 /nfs/dbraw/zinc/05/57/12/1101055712.db2.gz VGJUIFJBXWJSDK-UHFFFAOYSA-N 1 2 307.397 3.073 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cccc2c1OCO2 ZINC001199659004 1102176423 /nfs/dbraw/zinc/17/64/23/1102176423.db2.gz RLLWXQPNJHYHNI-UHFFFAOYSA-N 1 2 309.724 3.203 20 10 DGCDLO Nc1ccc(Cc2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc1 ZINC001248183558 1105063013 /nfs/dbraw/zinc/06/30/13/1105063013.db2.gz JZENJRHOHRRQOM-UHFFFAOYSA-N 1 2 317.352 3.095 20 10 DGCDLO Cc1cc(C[N@@H+]2CCOC(C)(C)C2)c(O)cc1Br ZINC001250120973 1105446524 /nfs/dbraw/zinc/44/65/24/1105446524.db2.gz WYDUDZDUGOGPOR-UHFFFAOYSA-N 1 2 314.223 3.074 20 10 DGCDLO Cc1cc(C[N@H+]2CCOC(C)(C)C2)c(O)cc1Br ZINC001250120973 1105446528 /nfs/dbraw/zinc/44/65/28/1105446528.db2.gz WYDUDZDUGOGPOR-UHFFFAOYSA-N 1 2 314.223 3.074 20 10 DGCDLO CC[C@@H]1COCC[N@@H+]1Cc1cc(C)c(Br)cc1O ZINC001250134203 1105450950 /nfs/dbraw/zinc/45/09/50/1105450950.db2.gz XKPFIXZOUFOJRS-GFCCVEGCSA-N 1 2 314.223 3.074 20 10 DGCDLO CC[C@@H]([NH2+]Cc1c(C)c(C)n[nH]c1=O)c1cccc(Cl)c1O ZINC001258391612 1106728021 /nfs/dbraw/zinc/72/80/21/1106728021.db2.gz LQVZPLATFKNZSM-CQSZACIVSA-N 1 2 321.808 3.399 20 10 DGCDLO OCC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1cccs1 ZINC001308277728 1111409097 /nfs/dbraw/zinc/40/90/97/1111409097.db2.gz NHIXYLLGLSDPIX-GFCCVEGCSA-N 1 2 315.797 3.460 20 10 DGCDLO O=C1Nc2ccccc2CC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC001308840419 1111482419 /nfs/dbraw/zinc/48/24/19/1111482419.db2.gz GQRVVGGQHOJSTF-HNNXBMFYSA-N 1 2 316.788 3.089 20 10 DGCDLO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185512069 295665372 /nfs/dbraw/zinc/66/53/72/295665372.db2.gz JVHXTRLAOKJKGO-DKCNOQQISA-N 1 2 324.273 3.462 20 10 DGCDLO Cc1noc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000179755860 432070231 /nfs/dbraw/zinc/07/02/31/432070231.db2.gz HYEIOFBPYDPRKW-LBPRGKRZSA-N 1 2 307.781 3.117 20 10 DGCDLO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(F)c(F)c1O ZINC000191183591 299317211 /nfs/dbraw/zinc/31/72/11/299317211.db2.gz ACXLZIHDMWEBJO-GXFFZTMASA-N 1 2 310.344 3.217 20 10 DGCDLO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187720070 299321387 /nfs/dbraw/zinc/32/13/87/299321387.db2.gz YMWMBMGAXJWPAZ-GTNSWQLSSA-N 1 2 307.340 3.229 20 10 DGCDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000190138288 432126112 /nfs/dbraw/zinc/12/61/12/432126112.db2.gz JJSQGHNVNFJRPL-KRWDZBQOSA-N 1 2 323.314 3.383 20 10 DGCDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000190138288 432126113 /nfs/dbraw/zinc/12/61/13/432126113.db2.gz JJSQGHNVNFJRPL-KRWDZBQOSA-N 1 2 323.314 3.383 20 10 DGCDLO C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000037158029 182869867 /nfs/dbraw/zinc/86/98/67/182869867.db2.gz OBPSPBCBRBUUEO-SECBINFHSA-N 1 2 300.189 3.074 20 10 DGCDLO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)c1cc([N+](=O)[O-])ccc1O ZINC000285724454 131196365 /nfs/dbraw/zinc/19/63/65/131196365.db2.gz QIDGRCZPAVYUMX-RKDXNWHRSA-N 1 2 323.299 3.385 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)CO[C@@H]1CCOC1)c1cccc(Cl)c1O ZINC000287577870 131287838 /nfs/dbraw/zinc/28/78/38/131287838.db2.gz HDPDGSGDIAVFOY-JMSVASOKSA-N 1 2 313.825 3.280 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)CO[C@H]1CCOC1)c1cccc(Cl)c1O ZINC000287577865 131288021 /nfs/dbraw/zinc/28/80/21/131288021.db2.gz HDPDGSGDIAVFOY-HUBLWGQQSA-N 1 2 313.825 3.280 20 10 DGCDLO CC[C@H]([NH2+]CCCc1cnn(C)c1)c1cccc(Cl)c1O ZINC000287710357 131296934 /nfs/dbraw/zinc/29/69/34/131296934.db2.gz ODSHBAZOIMMWIS-HNNXBMFYSA-N 1 2 307.825 3.453 20 10 DGCDLO COCC[N@H+](Cc1cccnc1)Cc1cccc(Cl)c1O ZINC000289416011 131384635 /nfs/dbraw/zinc/38/46/35/131384635.db2.gz INARMWFTTVPXEJ-UHFFFAOYSA-N 1 2 306.793 3.089 20 10 DGCDLO COCC[N@@H+](Cc1cccnc1)Cc1cccc(Cl)c1O ZINC000289416011 131384637 /nfs/dbraw/zinc/38/46/37/131384637.db2.gz INARMWFTTVPXEJ-UHFFFAOYSA-N 1 2 306.793 3.089 20 10 DGCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(C)c2O)no1 ZINC000289589502 131398937 /nfs/dbraw/zinc/39/89/37/131398937.db2.gz AVHMGVBWGAPIRO-CHWSQXEVSA-N 1 2 319.405 3.340 20 10 DGCDLO COc1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc1C ZINC000299557963 132111374 /nfs/dbraw/zinc/11/13/74/132111374.db2.gz DPRQYLABALZKEO-UHFFFAOYSA-N 1 2 301.390 3.254 20 10 DGCDLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(C)n1-c1ccccc1 ZINC000042535686 400433345 /nfs/dbraw/zinc/43/33/45/400433345.db2.gz PQHBABZXIWDDPM-AWEZNQCLSA-N 1 2 322.412 3.109 20 10 DGCDLO CC[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Cl)cc(Cl)c1O ZINC000287792453 286902799 /nfs/dbraw/zinc/90/27/99/286902799.db2.gz SVPAMVLCXGYHKU-LLVKDONJSA-N 1 2 319.232 3.251 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000182636169 228369424 /nfs/dbraw/zinc/36/94/24/228369424.db2.gz USYZMBOXLJPGEE-DOMZBBRYSA-N 1 2 313.850 3.190 20 10 DGCDLO CC[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc(Cl)c1O ZINC000287115042 288038605 /nfs/dbraw/zinc/03/86/05/288038605.db2.gz QSJPOMXCEFOFID-RBZFPXEDSA-N 1 2 315.866 3.388 20 10 DGCDLO CC[C@H]([NH2+][C@H]1COC[C@@H]1OC)c1cc(Cl)cc(Cl)c1O ZINC000290145204 288092088 /nfs/dbraw/zinc/09/20/88/288092088.db2.gz KXYQHRPYXWXZCJ-AVGNSLFASA-N 1 2 320.216 3.154 20 10 DGCDLO C[N@H+](CCn1cccn1)Cc1cc(Cl)cc(Cl)c1O ZINC000125288996 431920138 /nfs/dbraw/zinc/92/01/38/431920138.db2.gz VAVABUIOFGTEBC-UHFFFAOYSA-N 1 2 300.189 3.028 20 10 DGCDLO C[N@@H+](CCn1cccn1)Cc1cc(Cl)cc(Cl)c1O ZINC000125288996 431920139 /nfs/dbraw/zinc/92/01/39/431920139.db2.gz VAVABUIOFGTEBC-UHFFFAOYSA-N 1 2 300.189 3.028 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2cccnc2)c1O ZINC000050134342 431946978 /nfs/dbraw/zinc/94/69/78/431946978.db2.gz MARLPKHBRYGRGX-UHFFFAOYSA-N 1 2 304.777 3.275 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2cccnc2)c1O ZINC000050134342 431946980 /nfs/dbraw/zinc/94/69/80/431946980.db2.gz MARLPKHBRYGRGX-UHFFFAOYSA-N 1 2 304.777 3.275 20 10 DGCDLO O=C(C[N@H+]1CC[C@H](O)C1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000152107778 432305414 /nfs/dbraw/zinc/30/54/14/432305414.db2.gz ZDFACFZCRYLBCH-UAFUQJIBSA-N 1 2 324.384 3.107 20 10 DGCDLO O=C(C[N@@H+]1CC[C@H](O)C1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000152107778 432305418 /nfs/dbraw/zinc/30/54/18/432305418.db2.gz ZDFACFZCRYLBCH-UAFUQJIBSA-N 1 2 324.384 3.107 20 10 DGCDLO Cc1cccc(CNc2ccccc2C[NH+]2CCOCC2)c1O ZINC000271769503 432424737 /nfs/dbraw/zinc/42/47/37/432424737.db2.gz CKQXOYWMGMJYAV-UHFFFAOYSA-N 1 2 312.413 3.145 20 10 DGCDLO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)c(F)c1O ZINC000187827984 432687938 /nfs/dbraw/zinc/68/79/38/432687938.db2.gz QPBFPMJBRLWMGG-NAMSACQYSA-N 1 2 309.356 3.279 20 10 DGCDLO OC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@H]1C(F)(F)F ZINC000289957467 432980927 /nfs/dbraw/zinc/98/09/27/432980927.db2.gz YYYDQEVZSMEBOI-WDEREUQCSA-N 1 2 323.742 3.038 20 10 DGCDLO OC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@H]1C(F)(F)F ZINC000289957467 432980929 /nfs/dbraw/zinc/98/09/29/432980929.db2.gz YYYDQEVZSMEBOI-WDEREUQCSA-N 1 2 323.742 3.038 20 10 DGCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)no1 ZINC000290200338 433012148 /nfs/dbraw/zinc/01/21/48/433012148.db2.gz PCAOBAVCMGTDHM-NWDGAFQWSA-N 1 2 305.378 3.032 20 10 DGCDLO CCOCc1nc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)no1 ZINC000290200336 433012664 /nfs/dbraw/zinc/01/26/64/433012664.db2.gz PCAOBAVCMGTDHM-NEPJUHHUSA-N 1 2 305.378 3.032 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1F ZINC000374266978 433182832 /nfs/dbraw/zinc/18/28/32/433182832.db2.gz BPEAXSOGWHSOLH-KRWDZBQOSA-N 1 2 304.365 3.058 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1F ZINC000374266978 433182839 /nfs/dbraw/zinc/18/28/39/433182839.db2.gz BPEAXSOGWHSOLH-KRWDZBQOSA-N 1 2 304.365 3.058 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290906603 433204038 /nfs/dbraw/zinc/20/40/38/433204038.db2.gz MQSLDRQAUJSCRK-LBPRGKRZSA-N 1 2 312.200 3.343 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290906603 433204048 /nfs/dbraw/zinc/20/40/48/433204048.db2.gz MQSLDRQAUJSCRK-LBPRGKRZSA-N 1 2 312.200 3.343 20 10 DGCDLO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1O ZINC000282220521 433531715 /nfs/dbraw/zinc/53/17/15/433531715.db2.gz HYEIPHBZNAWEJH-WPCRTTGESA-N 1 2 322.257 3.261 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293560540 433781487 /nfs/dbraw/zinc/78/14/87/433781487.db2.gz GAVDREBGPQNDPS-MRXNPFEDSA-N 1 2 307.821 3.437 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293560540 433781496 /nfs/dbraw/zinc/78/14/96/433781496.db2.gz GAVDREBGPQNDPS-MRXNPFEDSA-N 1 2 307.821 3.437 20 10 DGCDLO Cc1nnc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)s1 ZINC000293624613 433808637 /nfs/dbraw/zinc/80/86/37/433808637.db2.gz MUQFFPQCHLSVEB-LURJTMIESA-N 1 2 301.774 3.195 20 10 DGCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](O)Cc1ccccc1 ZINC000294076525 433987272 /nfs/dbraw/zinc/98/72/72/433987272.db2.gz YTNFCJFASWKAQB-HNNXBMFYSA-N 1 2 305.805 3.081 20 10 DGCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@@H](O)Cc1ccccc1 ZINC000294076525 433987277 /nfs/dbraw/zinc/98/72/77/433987277.db2.gz YTNFCJFASWKAQB-HNNXBMFYSA-N 1 2 305.805 3.081 20 10 DGCDLO CN(C)c1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1F ZINC000294345435 434097024 /nfs/dbraw/zinc/09/70/24/434097024.db2.gz SIPALUQJMFMICX-UHFFFAOYSA-N 1 2 310.319 3.165 20 10 DGCDLO CCOc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2c2nccn2C)c1 ZINC000294754902 434133020 /nfs/dbraw/zinc/13/30/20/434133020.db2.gz IOUBHJDQFHQVBD-INIZCTEOSA-N 1 2 315.417 3.108 20 10 DGCDLO CCOc1ccc(O)c(C[N@H+]2CC(C)(C)[C@@H]2c2nccn2C)c1 ZINC000294754902 434133028 /nfs/dbraw/zinc/13/30/28/434133028.db2.gz IOUBHJDQFHQVBD-INIZCTEOSA-N 1 2 315.417 3.108 20 10 DGCDLO Cc1ccc([C@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)c(O)c1C ZINC000294875825 434149561 /nfs/dbraw/zinc/14/95/61/434149561.db2.gz DBTIEAKKABAVHT-HNNXBMFYSA-N 1 2 322.412 3.441 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@@H+]2Cc2cc(OC)ccc2O)no1 ZINC000378440498 434184085 /nfs/dbraw/zinc/18/40/85/434184085.db2.gz BKYVAJFDCFFCHJ-AWEZNQCLSA-N 1 2 317.389 3.073 20 10 DGCDLO CCc1nc([C@@H]2CCCC[N@H+]2Cc2cc(OC)ccc2O)no1 ZINC000378440498 434184094 /nfs/dbraw/zinc/18/40/94/434184094.db2.gz BKYVAJFDCFFCHJ-AWEZNQCLSA-N 1 2 317.389 3.073 20 10 DGCDLO CC[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(F)cc1O ZINC000287486631 434373744 /nfs/dbraw/zinc/37/37/44/434373744.db2.gz NBKBDMARTBAQAM-CYBMUJFWSA-N 1 2 306.385 3.119 20 10 DGCDLO CC[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cccc(Cl)c1O ZINC000287826476 434459476 /nfs/dbraw/zinc/45/94/76/434459476.db2.gz VLZMVLULPCGKFT-OAHLLOKOSA-N 1 2 324.852 3.489 20 10 DGCDLO COc1ccc([C@H](CO)[N@H+](C)Cc2cccc(Cl)c2O)cc1 ZINC000271780358 295242181 /nfs/dbraw/zinc/24/21/81/295242181.db2.gz HPWWRRJIUHZPTC-INIZCTEOSA-N 1 2 321.804 3.220 20 10 DGCDLO COc1ccc([C@H](CO)[N@@H+](C)Cc2cccc(Cl)c2O)cc1 ZINC000271780358 295242182 /nfs/dbraw/zinc/24/21/82/295242182.db2.gz HPWWRRJIUHZPTC-INIZCTEOSA-N 1 2 321.804 3.220 20 10 DGCDLO Oc1ccc2ccccc2c1C[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC000371635417 434732423 /nfs/dbraw/zinc/73/24/23/434732423.db2.gz WJZTYYLVIAREBC-UHFFFAOYSA-N 1 2 320.396 3.030 20 10 DGCDLO Oc1ccc2ccccc2c1C[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC000371635417 434732427 /nfs/dbraw/zinc/73/24/27/434732427.db2.gz WJZTYYLVIAREBC-UHFFFAOYSA-N 1 2 320.396 3.030 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(N(C)C)cc2)no1 ZINC000361168474 434821300 /nfs/dbraw/zinc/82/13/00/434821300.db2.gz NSTPNSPRVSSHAU-MRXNPFEDSA-N 1 2 314.433 3.425 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@H+]2Cc2ccc(N(C)C)cc2)no1 ZINC000361168474 434821305 /nfs/dbraw/zinc/82/13/05/434821305.db2.gz NSTPNSPRVSSHAU-MRXNPFEDSA-N 1 2 314.433 3.425 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1O ZINC000184682149 533952823 /nfs/dbraw/zinc/95/28/23/533952823.db2.gz YMIWJZXHNBDEMR-NSHDSACASA-N 1 2 321.808 3.157 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1O ZINC000184682149 533952826 /nfs/dbraw/zinc/95/28/26/533952826.db2.gz YMIWJZXHNBDEMR-NSHDSACASA-N 1 2 321.808 3.157 20 10 DGCDLO CC(C)([NH2+]Cc1cccc(Cl)c1O)C(=O)NCC1CCCC1 ZINC000182660542 519324755 /nfs/dbraw/zinc/32/47/55/519324755.db2.gz SDAGSKIVMTYKCD-UHFFFAOYSA-N 1 2 324.852 3.220 20 10 DGCDLO CC[N@H+](Cc1c(Cl)cnn1C)Cc1ccc(N(C)C)cc1 ZINC000189519473 521279120 /nfs/dbraw/zinc/27/91/20/521279120.db2.gz HRTGPKCVFBHKCU-UHFFFAOYSA-N 1 2 306.841 3.162 20 10 DGCDLO CC[N@@H+](Cc1c(Cl)cnn1C)Cc1ccc(N(C)C)cc1 ZINC000189519473 521279132 /nfs/dbraw/zinc/27/91/32/521279132.db2.gz HRTGPKCVFBHKCU-UHFFFAOYSA-N 1 2 306.841 3.162 20 10 DGCDLO CCc1ccc([C@H]2COCC[N@@H+]2Cc2cc(OC)ccc2O)o1 ZINC000180289540 524056310 /nfs/dbraw/zinc/05/63/10/524056310.db2.gz AEWQMRMZJLUMOT-MRXNPFEDSA-N 1 2 317.385 3.130 20 10 DGCDLO CCc1ccc([C@H]2COCC[N@H+]2Cc2cc(OC)ccc2O)o1 ZINC000180289540 524056312 /nfs/dbraw/zinc/05/63/12/524056312.db2.gz AEWQMRMZJLUMOT-MRXNPFEDSA-N 1 2 317.385 3.130 20 10 DGCDLO CSCc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)c1 ZINC000189476149 525737244 /nfs/dbraw/zinc/73/72/44/525737244.db2.gz SQVLKGMWJFMENF-UHFFFAOYSA-N 1 2 318.398 3.453 20 10 DGCDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cccc(Cl)c2O)cn1 ZINC000191741705 527321954 /nfs/dbraw/zinc/32/19/54/527321954.db2.gz YCUHFFNIPBUFNA-CQSZACIVSA-N 1 2 323.849 3.069 20 10 DGCDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2cccc(Cl)c2O)cn1 ZINC000191741705 527321957 /nfs/dbraw/zinc/32/19/57/527321957.db2.gz YCUHFFNIPBUFNA-CQSZACIVSA-N 1 2 323.849 3.069 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+][C@H](C)c2nc(C)no2)cc1F ZINC000740004183 574917917 /nfs/dbraw/zinc/91/79/17/574917917.db2.gz HSILOQCQBHNSPF-LLVKDONJSA-N 1 2 306.385 3.214 20 10 DGCDLO C[C@@H](Cc1ccncc1)[NH2+]Cc1cccc(Br)c1O ZINC000749294196 575643306 /nfs/dbraw/zinc/64/33/06/575643306.db2.gz FZSPKWPLZSJWNK-NSHDSACASA-N 1 2 321.218 3.271 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H](C)O1 ZINC000750045476 575699952 /nfs/dbraw/zinc/69/99/52/575699952.db2.gz RKIUDVUBDGTSPN-IINYFYTJSA-N 1 2 311.809 3.248 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H](C)O1 ZINC000750045476 575699954 /nfs/dbraw/zinc/69/99/54/575699954.db2.gz RKIUDVUBDGTSPN-IINYFYTJSA-N 1 2 311.809 3.248 20 10 DGCDLO CCOC(=O)CCC[N@@H+]1CCCc2cc(OC(F)F)ccc21 ZINC000726597375 576032536 /nfs/dbraw/zinc/03/25/36/576032536.db2.gz KCJVUINRGVOWMJ-UHFFFAOYSA-N 1 2 313.344 3.384 20 10 DGCDLO CCOC(=O)CCC[N@H+]1CCCc2cc(OC(F)F)ccc21 ZINC000726597375 576032538 /nfs/dbraw/zinc/03/25/38/576032538.db2.gz KCJVUINRGVOWMJ-UHFFFAOYSA-N 1 2 313.344 3.384 20 10 DGCDLO CCN(Cc1cn2ccccc2[nH+]1)c1ccc(OC)c(OC)c1 ZINC000728172354 576166133 /nfs/dbraw/zinc/16/61/33/576166133.db2.gz FUNNLSMELMLJSM-UHFFFAOYSA-N 1 2 311.385 3.378 20 10 DGCDLO C[N@@H+]1CCN(Cc2cc3c(cc2O)CCC3)[C@H](c2ccccc2)C1 ZINC000917462508 620669364 /nfs/dbraw/zinc/66/93/64/620669364.db2.gz HNFINSLSCYDJNK-FQEVSTJZSA-N 1 2 322.452 3.370 20 10 DGCDLO C[N@H+]1CCN(Cc2cc3c(cc2O)CCC3)[C@H](c2ccccc2)C1 ZINC000917462508 620669366 /nfs/dbraw/zinc/66/93/66/620669366.db2.gz HNFINSLSCYDJNK-FQEVSTJZSA-N 1 2 322.452 3.370 20 10 DGCDLO CCc1nc(C[N@H+](C)Cc2ccc(OC)c(OC)c2O)cs1 ZINC000891813787 617904923 /nfs/dbraw/zinc/90/49/23/617904923.db2.gz FJNAYLOSBBUEAV-UHFFFAOYSA-N 1 2 322.430 3.060 20 10 DGCDLO CCc1nc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2O)cs1 ZINC000891813787 617904924 /nfs/dbraw/zinc/90/49/24/617904924.db2.gz FJNAYLOSBBUEAV-UHFFFAOYSA-N 1 2 322.430 3.060 20 10 DGCDLO C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000854232449 620787094 /nfs/dbraw/zinc/78/70/94/620787094.db2.gz QDEZLMZXQQHKJK-SFYZADRCSA-N 1 2 321.646 3.067 20 10 DGCDLO FC(F)(F)c1nc(C[NH2+]Cc2ccc3c(c2)CCO3)cs1 ZINC000892794844 618312681 /nfs/dbraw/zinc/31/26/81/618312681.db2.gz XMOSDKCZQCZPSC-UHFFFAOYSA-N 1 2 314.332 3.387 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH+]1CC(CC(F)F)C1 ZINC000895055019 618520492 /nfs/dbraw/zinc/52/04/92/618520492.db2.gz GHBBEAPWXHNBOW-UHFFFAOYSA-N 1 2 324.140 3.381 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000895326991 618595508 /nfs/dbraw/zinc/59/55/08/618595508.db2.gz KEJNBFQDHPLODY-RKDXNWHRSA-N 1 2 300.171 3.136 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000895326991 618595511 /nfs/dbraw/zinc/59/55/11/618595511.db2.gz KEJNBFQDHPLODY-RKDXNWHRSA-N 1 2 300.171 3.136 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000895350744 618600664 /nfs/dbraw/zinc/60/06/64/618600664.db2.gz GYUIKRNBEABBMZ-CALCHBBNSA-N 1 2 309.356 3.063 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000895350744 618600667 /nfs/dbraw/zinc/60/06/67/618600667.db2.gz GYUIKRNBEABBMZ-CALCHBBNSA-N 1 2 309.356 3.063 20 10 DGCDLO CO[C@@](C)([C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000840961024 618639396 /nfs/dbraw/zinc/63/93/96/618639396.db2.gz PKBJIANFXWJULI-PSLIRLAXSA-N 1 2 301.789 3.478 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC000897342113 619065580 /nfs/dbraw/zinc/06/55/80/619065580.db2.gz RFUIQCUGPIJNJD-CVEARBPZSA-N 1 2 321.779 3.323 20 10 DGCDLO Cn1cccc1C[N@@H+](C)Cc1c(O)cccc1Br ZINC000862246981 619107374 /nfs/dbraw/zinc/10/73/74/619107374.db2.gz FDIUDPQLKGLKOH-UHFFFAOYSA-N 1 2 309.207 3.125 20 10 DGCDLO Cn1cc(C[NH2+]Cc2cccc(Cl)c2O)c(C(F)F)n1 ZINC000898218746 619222939 /nfs/dbraw/zinc/22/29/39/619222939.db2.gz OCLMNAUUTKAQQX-UHFFFAOYSA-N 1 2 301.724 3.007 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000898219575 619222984 /nfs/dbraw/zinc/22/29/84/619222984.db2.gz ZUGWCJWEKWSLPT-ONGXEEELSA-N 1 2 309.715 3.245 20 10 DGCDLO C[C@H]([NH2+][C@H](c1ncccn1)C1CC1)c1cc(F)cc(F)c1O ZINC000903326705 619761565 /nfs/dbraw/zinc/76/15/65/619761565.db2.gz MUWKNKVFYZKIBL-XPTSAGLGSA-N 1 2 305.328 3.262 20 10 DGCDLO C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1cc(F)cc(F)c1O ZINC000903326706 619761888 /nfs/dbraw/zinc/76/18/88/619761888.db2.gz MUWKNKVFYZKIBL-YMTOWFKASA-N 1 2 305.328 3.262 20 10 DGCDLO CC[C@@H]([NH2+][C@H]1CCCN(CC)C1=O)c1cccc(Cl)c1O ZINC000903388224 619770144 /nfs/dbraw/zinc/77/01/44/619770144.db2.gz LYQLPJZYPUJOLT-KGLIPLIRSA-N 1 2 310.825 3.097 20 10 DGCDLO COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC000907060878 620136079 /nfs/dbraw/zinc/13/60/79/620136079.db2.gz PZLHKAKRQUNGDH-GFCCVEGCSA-N 1 2 314.385 3.212 20 10 DGCDLO CC(C)n1ncnc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000789285125 625446233 /nfs/dbraw/zinc/44/62/33/625446233.db2.gz TXVFMJHHHSCGLY-UHFFFAOYSA-N 1 2 315.465 3.336 20 10 DGCDLO CC(C)n1ncnc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000789285125 625446234 /nfs/dbraw/zinc/44/62/34/625446234.db2.gz TXVFMJHHHSCGLY-UHFFFAOYSA-N 1 2 315.465 3.336 20 10 DGCDLO CCC(O)(CC)CC[NH2+]Cc1cccc(Br)c1O ZINC000788077209 620906343 /nfs/dbraw/zinc/90/63/43/620906343.db2.gz IMVDVZQQFGNLQZ-UHFFFAOYSA-N 1 2 316.239 3.186 20 10 DGCDLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000857920460 621132376 /nfs/dbraw/zinc/13/23/76/621132376.db2.gz DGXDRBWVYBLHHV-AWEZNQCLSA-N 1 2 309.413 3.095 20 10 DGCDLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000857920460 621132378 /nfs/dbraw/zinc/13/23/78/621132378.db2.gz DGXDRBWVYBLHHV-AWEZNQCLSA-N 1 2 309.413 3.095 20 10 DGCDLO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858172212 621161057 /nfs/dbraw/zinc/16/10/57/621161057.db2.gz MYYJUEYWZJFZEI-NSHDSACASA-N 1 2 308.376 3.098 20 10 DGCDLO C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)c2nccn21 ZINC000858172485 621161111 /nfs/dbraw/zinc/16/11/11/621161111.db2.gz WGBROZUXFMPELF-BXKDBHETSA-N 1 2 322.206 3.147 20 10 DGCDLO Oc1ccc(-c2ccccc2)cc1C[NH+]1CC(OC(F)F)C1 ZINC000839145715 621332544 /nfs/dbraw/zinc/33/25/44/621332544.db2.gz URDBQOQUWNUVHC-UHFFFAOYSA-N 1 2 305.324 3.483 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)[C@H](C)[C@H](C)O1 ZINC000862337550 621575631 /nfs/dbraw/zinc/57/56/31/621575631.db2.gz WYVPKAQWTFZCIK-MXWKQRLJSA-N 1 2 314.223 3.152 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)[C@H](C)[C@H](C)O1 ZINC000862337550 621575636 /nfs/dbraw/zinc/57/56/36/621575636.db2.gz WYVPKAQWTFZCIK-MXWKQRLJSA-N 1 2 314.223 3.152 20 10 DGCDLO CC[C@]1(C)C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000862337118 621575825 /nfs/dbraw/zinc/57/58/25/621575825.db2.gz RBDOHABIFQCQOB-CQSZACIVSA-N 1 2 314.223 3.156 20 10 DGCDLO CC[C@]1(C)C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC000862337118 621575827 /nfs/dbraw/zinc/57/58/27/621575827.db2.gz RBDOHABIFQCQOB-CQSZACIVSA-N 1 2 314.223 3.156 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC2(CCC2)O1 ZINC000862400284 621584986 /nfs/dbraw/zinc/58/49/86/621584986.db2.gz SEVXPAKEUKKXNS-GFCCVEGCSA-N 1 2 310.388 3.174 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC2(CCC2)O1 ZINC000862400284 621584989 /nfs/dbraw/zinc/58/49/89/621584989.db2.gz SEVXPAKEUKKXNS-GFCCVEGCSA-N 1 2 310.388 3.174 20 10 DGCDLO COC(=O)[C@H](CC1CCCCC1)[NH2+]Cc1cccc(C)c1O ZINC000756147146 621618269 /nfs/dbraw/zinc/61/82/69/621618269.db2.gz NKPWUVCMGGZZMG-INIZCTEOSA-N 1 2 305.418 3.302 20 10 DGCDLO CCOCCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756343377 621629530 /nfs/dbraw/zinc/62/95/30/621629530.db2.gz YJYKRCQRAHGJNE-SECBINFHSA-N 1 2 320.202 3.371 20 10 DGCDLO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1cc(F)cc(F)c1O ZINC000756362157 621631574 /nfs/dbraw/zinc/63/15/74/621631574.db2.gz IXLUGNBZZYUINA-SNVBAGLBSA-N 1 2 303.312 3.169 20 10 DGCDLO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756366691 621631888 /nfs/dbraw/zinc/63/18/88/621631888.db2.gz HWUKFLPFFNYOAO-JTQLQIEISA-N 1 2 320.339 3.480 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cc(F)cc(F)c1O ZINC000756488224 621641734 /nfs/dbraw/zinc/64/17/34/621641734.db2.gz MAVWFVFMIUOPOY-JGVFFNPUSA-N 1 2 313.266 3.288 20 10 DGCDLO CC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756602260 621651668 /nfs/dbraw/zinc/65/16/68/621651668.db2.gz DMEBNROQVBKATI-IUCAKERBSA-N 1 2 320.202 3.105 20 10 DGCDLO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1O ZINC000756608154 621652777 /nfs/dbraw/zinc/65/27/77/621652777.db2.gz JELYVQCUAZHLMC-JTQLQIEISA-N 1 2 322.311 3.472 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccon1)c1cc(Br)c(F)cc1O ZINC000756637684 621654459 /nfs/dbraw/zinc/65/44/59/621654459.db2.gz ONMMBYJNNRTVKP-SSDOTTSWSA-N 1 2 315.142 3.133 20 10 DGCDLO CC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756657652 621656782 /nfs/dbraw/zinc/65/67/82/621656782.db2.gz FAECDOMEWUBJJE-BDAKNGLRSA-N 1 2 320.202 3.105 20 10 DGCDLO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756710188 621659619 /nfs/dbraw/zinc/65/96/19/621659619.db2.gz BUXUAQJUSYWULX-MEBBXXQBSA-N 1 2 323.339 3.063 20 10 DGCDLO C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)c1cc(F)cc(F)c1O ZINC000756768586 621663226 /nfs/dbraw/zinc/66/32/26/621663226.db2.gz FDOHOTRZCPTCTQ-SNVBAGLBSA-N 1 2 319.355 3.231 20 10 DGCDLO C[NH2+]c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000863482314 621677524 /nfs/dbraw/zinc/67/75/24/621677524.db2.gz YGBRSUWCCSWHNU-UHFFFAOYSA-N 1 2 315.392 3.316 20 10 DGCDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000839586804 621699534 /nfs/dbraw/zinc/69/95/34/621699534.db2.gz YEXUQADWVDSUMI-UHFFFAOYSA-N 1 2 320.868 3.388 20 10 DGCDLO Cc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000839586804 621699536 /nfs/dbraw/zinc/69/95/36/621699536.db2.gz YEXUQADWVDSUMI-UHFFFAOYSA-N 1 2 320.868 3.388 20 10 DGCDLO C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cc(F)cc(F)c1O ZINC000757666396 621732435 /nfs/dbraw/zinc/73/24/35/621732435.db2.gz SOWPLMMIBLGXDD-SWLSCSKDSA-N 1 2 321.367 3.315 20 10 DGCDLO CS[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000865734381 621982330 /nfs/dbraw/zinc/98/23/30/621982330.db2.gz VYFDSRPRQICZAN-MGCOHNPYSA-N 1 2 302.237 3.138 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1cccc(Cl)c1O ZINC000866463951 622122403 /nfs/dbraw/zinc/12/24/03/622122403.db2.gz REZLSYOKJFSGQM-VIRWGQHYSA-N 1 2 311.731 3.398 20 10 DGCDLO FC(F)C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCC1 ZINC000770296437 622618683 /nfs/dbraw/zinc/61/86/83/622618683.db2.gz XKROVHBQVGYEHF-UHFFFAOYSA-N 1 2 324.415 3.390 20 10 DGCDLO FC(F)C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1CCC1 ZINC000770296437 622618686 /nfs/dbraw/zinc/61/86/86/622618686.db2.gz XKROVHBQVGYEHF-UHFFFAOYSA-N 1 2 324.415 3.390 20 10 DGCDLO COc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1Cn1cccn1 ZINC000873126595 623041739 /nfs/dbraw/zinc/04/17/39/623041739.db2.gz JEMDKOVQWDCGEX-INIZCTEOSA-N 1 2 321.371 3.217 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nc(C2CC2)no1 ZINC000774484995 623151290 /nfs/dbraw/zinc/15/12/90/623151290.db2.gz UHXWWHRAEBGKSI-RYUDHWBXSA-N 1 2 300.406 3.425 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000124524924 623153271 /nfs/dbraw/zinc/15/32/71/623153271.db2.gz YEMVUXDHQJZTHY-ZDUSSCGKSA-N 1 2 314.223 3.074 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000124524924 623153275 /nfs/dbraw/zinc/15/32/75/623153275.db2.gz YEMVUXDHQJZTHY-ZDUSSCGKSA-N 1 2 314.223 3.074 20 10 DGCDLO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000774832145 623197338 /nfs/dbraw/zinc/19/73/38/623197338.db2.gz JGTLXNSDBPSTSP-GWCFXTLKSA-N 1 2 314.223 3.059 20 10 DGCDLO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775700247 623315728 /nfs/dbraw/zinc/31/57/28/623315728.db2.gz JMFYTCMDMPPKIV-MRXNPFEDSA-N 1 2 321.779 3.276 20 10 DGCDLO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775700247 623315734 /nfs/dbraw/zinc/31/57/34/623315734.db2.gz JMFYTCMDMPPKIV-MRXNPFEDSA-N 1 2 321.779 3.276 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000775764489 623328135 /nfs/dbraw/zinc/32/81/35/623328135.db2.gz YRDVZWKINDIYFL-UHFFFAOYSA-N 1 2 323.751 3.246 20 10 DGCDLO CN(C)[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccco1 ZINC000775797881 623333186 /nfs/dbraw/zinc/33/31/86/623333186.db2.gz CRLHWMNBBYIUNU-ZDUSSCGKSA-N 1 2 312.772 3.170 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000776250804 623401930 /nfs/dbraw/zinc/40/19/30/623401930.db2.gz MIECGZLPKHHMSI-UHFFFAOYSA-N 1 2 319.788 3.497 20 10 DGCDLO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776253329 623401964 /nfs/dbraw/zinc/40/19/64/623401964.db2.gz MFVUBJUKLSMPKG-TVQRCGJNSA-N 1 2 313.756 3.380 20 10 DGCDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)c(F)c1O ZINC000876547067 623639843 /nfs/dbraw/zinc/63/98/43/623639843.db2.gz GXLHMLFAGQAMME-UHFFFAOYSA-N 1 2 307.296 3.031 20 10 DGCDLO CCCn1cc(C[N@H+](C)Cc2ccc(N(CC)CC)cc2)nn1 ZINC000876551421 623641359 /nfs/dbraw/zinc/64/13/59/623641359.db2.gz RBTYUANUOHDIDK-UHFFFAOYSA-N 1 2 315.465 3.166 20 10 DGCDLO CCCn1cc(C[N@@H+](C)Cc2ccc(N(CC)CC)cc2)nn1 ZINC000876551421 623641364 /nfs/dbraw/zinc/64/13/64/623641364.db2.gz RBTYUANUOHDIDK-UHFFFAOYSA-N 1 2 315.465 3.166 20 10 DGCDLO C[N@@H+](Cc1ccc(F)c(F)c1O)C[C@@H]1OCCc2ccccc21 ZINC000876634012 623664752 /nfs/dbraw/zinc/66/47/52/623664752.db2.gz JDOFEOMPVXBLQG-INIZCTEOSA-N 1 2 319.351 3.416 20 10 DGCDLO C[N@H+](Cc1ccc(F)c(F)c1O)C[C@@H]1OCCc2ccccc21 ZINC000876634012 623664753 /nfs/dbraw/zinc/66/47/53/623664753.db2.gz JDOFEOMPVXBLQG-INIZCTEOSA-N 1 2 319.351 3.416 20 10 DGCDLO [O-]c1c(C[NH2+]CCCCNc2cccc[nH+]2)ccc(F)c1F ZINC000877006891 623765294 /nfs/dbraw/zinc/76/52/94/623765294.db2.gz VIYNAQKDUYTPIH-UHFFFAOYSA-N 1 2 307.344 3.047 20 10 DGCDLO COCCC[N@H+](Cc1ccncc1)Cc1ccc(F)c(F)c1O ZINC000877526038 623924409 /nfs/dbraw/zinc/92/44/09/623924409.db2.gz OVBLZVBBYYURBD-UHFFFAOYSA-N 1 2 322.355 3.104 20 10 DGCDLO COCCC[N@@H+](Cc1ccncc1)Cc1ccc(F)c(F)c1O ZINC000877526038 623924415 /nfs/dbraw/zinc/92/44/15/623924415.db2.gz OVBLZVBBYYURBD-UHFFFAOYSA-N 1 2 322.355 3.104 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000877697110 623994920 /nfs/dbraw/zinc/99/49/20/623994920.db2.gz BCBDOTJOLNDXCI-UHFFFAOYSA-N 1 2 303.789 3.408 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cccc(Cl)c1O ZINC000806148756 624079576 /nfs/dbraw/zinc/07/95/76/624079576.db2.gz YAQMGBGJDIKWKY-HKCMKHECSA-N 1 2 322.836 3.096 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781531390 624087824 /nfs/dbraw/zinc/08/78/24/624087824.db2.gz AMRLATAGVOJMRG-JTQLQIEISA-N 1 2 309.715 3.388 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000781531390 624087828 /nfs/dbraw/zinc/08/78/28/624087828.db2.gz AMRLATAGVOJMRG-JTQLQIEISA-N 1 2 309.715 3.388 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC000781902220 624168045 /nfs/dbraw/zinc/16/80/45/624168045.db2.gz OIFATNWGBACTJX-UHFFFAOYSA-N 1 2 314.223 3.074 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2CCOC(C)(C)C2)c1 ZINC000781902220 624168046 /nfs/dbraw/zinc/16/80/46/624168046.db2.gz OIFATNWGBACTJX-UHFFFAOYSA-N 1 2 314.223 3.074 20 10 DGCDLO CC(C)(C)c1nnc(C[NH2+]Cc2cc(F)cc(F)c2O)s1 ZINC000883039762 625907112 /nfs/dbraw/zinc/90/71/12/625907112.db2.gz AONYYOOLESPABY-UHFFFAOYSA-N 1 2 313.373 3.109 20 10 DGCDLO CCCN(Cc1ccccc1O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000798197913 626201344 /nfs/dbraw/zinc/20/13/44/626201344.db2.gz ITDGFNPOQYZDJP-UHFFFAOYSA-N 1 2 324.384 3.484 20 10 DGCDLO COc1ccc2c(c1)OCC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000802659863 626565821 /nfs/dbraw/zinc/56/58/21/626565821.db2.gz YGKAOMHHRNHGDO-UHFFFAOYSA-N 1 2 319.788 3.449 20 10 DGCDLO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000806160475 626703228 /nfs/dbraw/zinc/70/32/28/626703228.db2.gz SASKNTTXHBQXFI-RRFJBIMHSA-N 1 2 313.825 3.280 20 10 DGCDLO CC[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1cccc(Cl)c1O ZINC000806178946 626704738 /nfs/dbraw/zinc/70/47/38/626704738.db2.gz MEMXDYBZDIQUKW-CZUORRHYSA-N 1 2 320.820 3.257 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@@H](O)c1ccccc1 ZINC000808721085 626853694 /nfs/dbraw/zinc/85/36/94/626853694.db2.gz HORBHWMZJKWCLH-LYOVBCGYSA-N 1 2 307.340 3.443 20 10 DGCDLO C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1c(O)cccc1F ZINC000886522243 627155969 /nfs/dbraw/zinc/15/59/69/627155969.db2.gz FSRQCSJVPMHBDN-SECBINFHSA-N 1 2 317.286 3.141 20 10 DGCDLO CCSCCC[NH2+]Cc1cccc(Br)c1O ZINC000300851721 627283492 /nfs/dbraw/zinc/28/34/92/627283492.db2.gz LYKDKBFZYOJJSP-UHFFFAOYSA-N 1 2 304.253 3.388 20 10 DGCDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(C3CCC3)C2=O)c1 ZINC000814186086 627547946 /nfs/dbraw/zinc/54/79/46/627547946.db2.gz VKZKWMQOYZCZPW-JYRVWZFOSA-N 1 2 320.439 3.152 20 10 DGCDLO CCN(C)c1ccc(C[NH2+][C@@](C)(c2noc(C)n2)C2CC2)cc1 ZINC000815123881 627631594 /nfs/dbraw/zinc/63/15/94/627631594.db2.gz JUFUDIADXVFOIW-GOSISDBHSA-N 1 2 314.433 3.249 20 10 DGCDLO CC(C)C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N(C)C ZINC000816534751 627803215 /nfs/dbraw/zinc/80/32/15/627803215.db2.gz SVSOEDYUVJDTFZ-GFCCVEGCSA-N 1 2 302.821 3.251 20 10 DGCDLO OCc1ccc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816560007 627807463 /nfs/dbraw/zinc/80/74/63/627807463.db2.gz BPPIKYMXYUXUKA-UHFFFAOYSA-N 1 2 309.768 3.009 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1cn2ccccc2n1 ZINC000816561970 627808124 /nfs/dbraw/zinc/80/81/24/627808124.db2.gz SUIYHKYOSNGLAV-UHFFFAOYSA-N 1 2 319.767 3.165 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816568927 627809251 /nfs/dbraw/zinc/80/92/51/627809251.db2.gz TWHFJCCRHPGGQV-UHFFFAOYSA-N 1 2 310.756 3.220 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816568927 627809255 /nfs/dbraw/zinc/80/92/55/627809255.db2.gz TWHFJCCRHPGGQV-UHFFFAOYSA-N 1 2 310.756 3.220 20 10 DGCDLO COC(=O)[C@H](C)[N@H+](Cc1cc(Cl)c(F)cc1O)C1CCC1 ZINC000816591236 627812529 /nfs/dbraw/zinc/81/25/29/627812529.db2.gz YEUJZLYLDDEESE-VIFPVBQESA-N 1 2 315.772 3.101 20 10 DGCDLO COC(=O)[C@H](C)[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CCC1 ZINC000816591236 627812535 /nfs/dbraw/zinc/81/25/35/627812535.db2.gz YEUJZLYLDDEESE-VIFPVBQESA-N 1 2 315.772 3.101 20 10 DGCDLO COCC[N@H+](Cc1ccccn1)Cc1cc(Cl)c(F)cc1O ZINC000816610626 627814178 /nfs/dbraw/zinc/81/41/78/627814178.db2.gz RQZNSKDTUOIMRX-UHFFFAOYSA-N 1 2 324.783 3.228 20 10 DGCDLO COCC[N@@H+](Cc1ccccn1)Cc1cc(Cl)c(F)cc1O ZINC000816610626 627814182 /nfs/dbraw/zinc/81/41/82/627814182.db2.gz RQZNSKDTUOIMRX-UHFFFAOYSA-N 1 2 324.783 3.228 20 10 DGCDLO NCC(F)(F)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000817968410 627978850 /nfs/dbraw/zinc/97/88/50/627978850.db2.gz RWOIUJYHGPPKAT-INIZCTEOSA-N 1 2 320.383 3.250 20 10 DGCDLO CC[C@@H]([NH2+]Cc1nn(CC)nc1C)c1cccc(Cl)c1O ZINC000818347191 628017226 /nfs/dbraw/zinc/01/72/26/628017226.db2.gz YBOQQXLAGJNSEO-CYBMUJFWSA-N 1 2 308.813 3.206 20 10 DGCDLO CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000822757105 628490241 /nfs/dbraw/zinc/49/02/41/628490241.db2.gz PBQBIRNWQGKCSP-HUUCEWRRSA-N 1 2 313.401 3.048 20 10 DGCDLO CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000822757105 628490242 /nfs/dbraw/zinc/49/02/42/628490242.db2.gz PBQBIRNWQGKCSP-HUUCEWRRSA-N 1 2 313.401 3.048 20 10 DGCDLO Cc1cc(C[N@@H+](C)Cc2ccc(Br)cc2O)no1 ZINC000824581043 628672935 /nfs/dbraw/zinc/67/29/35/628672935.db2.gz OJGQQOFXOYPHDN-UHFFFAOYSA-N 1 2 311.179 3.083 20 10 DGCDLO Cc1cc(C[N@H+](C)Cc2ccc(Br)cc2O)no1 ZINC000824581043 628672937 /nfs/dbraw/zinc/67/29/37/628672937.db2.gz OJGQQOFXOYPHDN-UHFFFAOYSA-N 1 2 311.179 3.083 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1F ZINC000824758551 628690192 /nfs/dbraw/zinc/69/01/92/628690192.db2.gz XUZBYPNXVJHNMV-UHFFFAOYSA-N 1 2 324.831 3.349 20 10 DGCDLO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cc(Cl)cc(F)c2O)C1 ZINC000825338637 628751680 /nfs/dbraw/zinc/75/16/80/628751680.db2.gz RXNLVYDIQYSZJD-ZDUSSCGKSA-N 1 2 300.805 3.099 20 10 DGCDLO CC(C)[N@H+]1CC[C@H](N(C)Cc2cc(Cl)cc(F)c2O)C1 ZINC000825338637 628751682 /nfs/dbraw/zinc/75/16/82/628751682.db2.gz RXNLVYDIQYSZJD-ZDUSSCGKSA-N 1 2 300.805 3.099 20 10 DGCDLO Cc1cc(O)c(CNC2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000825749914 628794435 /nfs/dbraw/zinc/79/44/35/628794435.db2.gz XOMPRJFKAZLUKK-UHFFFAOYSA-N 1 2 308.853 3.461 20 10 DGCDLO COCC1(C2CCC2)C[NH+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000827011502 628912712 /nfs/dbraw/zinc/91/27/12/628912712.db2.gz KETJBODHISIJSU-UHFFFAOYSA-N 1 2 313.800 3.433 20 10 DGCDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000828013703 629014095 /nfs/dbraw/zinc/01/40/95/629014095.db2.gz HXSOLRYTDFRQGI-UHFFFAOYSA-N 1 2 305.809 3.353 20 10 DGCDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000828013703 629014098 /nfs/dbraw/zinc/01/40/98/629014098.db2.gz HXSOLRYTDFRQGI-UHFFFAOYSA-N 1 2 305.809 3.353 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](OC(C)C)C2)c1O ZINC000828850705 629100332 /nfs/dbraw/zinc/10/03/32/629100332.db2.gz OTKUVBJKIVMHNA-CQSZACIVSA-N 1 2 311.809 3.248 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1O ZINC000828850705 629100334 /nfs/dbraw/zinc/10/03/34/629100334.db2.gz OTKUVBJKIVMHNA-CQSZACIVSA-N 1 2 311.809 3.248 20 10 DGCDLO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)F ZINC000834828153 629785386 /nfs/dbraw/zinc/78/53/86/629785386.db2.gz PUZXCIVTKABKLP-BXUZGUMPSA-N 1 2 316.367 3.357 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000835027978 629829236 /nfs/dbraw/zinc/82/92/36/629829236.db2.gz HUGOUPQXWQQPOO-SIEMBAAWSA-N 1 2 312.413 3.432 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000835027978 629829241 /nfs/dbraw/zinc/82/92/41/629829241.db2.gz HUGOUPQXWQQPOO-SIEMBAAWSA-N 1 2 312.413 3.432 20 10 DGCDLO C[C@@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1cc(F)ccc1O ZINC000840869648 630369595 /nfs/dbraw/zinc/36/95/95/630369595.db2.gz NMKRRYAUYOSBCW-MRVPVSSYSA-N 1 2 315.270 3.191 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840956714 630385376 /nfs/dbraw/zinc/38/53/76/630385376.db2.gz CSLURHRDQUVURS-GOEBONIOSA-N 1 2 321.779 3.493 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840956714 630385378 /nfs/dbraw/zinc/38/53/78/630385378.db2.gz CSLURHRDQUVURS-GOEBONIOSA-N 1 2 321.779 3.493 20 10 DGCDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000840974919 630389419 /nfs/dbraw/zinc/38/94/19/630389419.db2.gz QKHISMWVMPRMEC-CQSZACIVSA-N 1 2 322.836 3.023 20 10 DGCDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000840974919 630389422 /nfs/dbraw/zinc/38/94/22/630389422.db2.gz QKHISMWVMPRMEC-CQSZACIVSA-N 1 2 322.836 3.023 20 10 DGCDLO COc1cc(O)c(CNc2ccc3c(c2)CCC[NH2+]3)cc1OC ZINC000841035750 630400078 /nfs/dbraw/zinc/40/00/78/630400078.db2.gz HYQJVNLVPPYMCU-UHFFFAOYSA-N 1 2 314.385 3.380 20 10 DGCDLO CC(C)[C@@H]([NH2+]Cc1cccc(Cl)c1O)C1(CO)CC=CC1 ZINC000843433254 630658249 /nfs/dbraw/zinc/65/82/49/630658249.db2.gz VABWHSJKDIXQMT-MRXNPFEDSA-N 1 2 309.837 3.489 20 10 DGCDLO COc1ccc(N(C)CC[N@H+](C)Cc2ncc(C3CC3)o2)cc1 ZINC000844402430 630724936 /nfs/dbraw/zinc/72/49/36/630724936.db2.gz XFYPEAMLWXWKQP-UHFFFAOYSA-N 1 2 315.417 3.129 20 10 DGCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2ncc(C3CC3)o2)cc1 ZINC000844402430 630724938 /nfs/dbraw/zinc/72/49/38/630724938.db2.gz XFYPEAMLWXWKQP-UHFFFAOYSA-N 1 2 315.417 3.129 20 10 DGCDLO C[C@H](CO)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000846058477 631208602 /nfs/dbraw/zinc/20/86/02/631208602.db2.gz PPHXTEKMWYFOAS-SNVBAGLBSA-N 1 2 301.789 3.025 20 10 DGCDLO COc1cc(C[NH2+]Cc2cn[nH]c2C)c(O)c(C(C)(C)C)c1 ZINC000850028490 632032361 /nfs/dbraw/zinc/03/23/61/632032361.db2.gz BETUCUBZSXIIPE-UHFFFAOYSA-N 1 2 303.406 3.020 20 10 DGCDLO C[C@H](CN1CCC(C)CC1)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000850544114 632188238 /nfs/dbraw/zinc/18/82/38/632188238.db2.gz TUPRETARZZTSTJ-CHWSQXEVSA-N 1 2 312.404 3.441 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@H](C)O1 ZINC000707140241 660887238 /nfs/dbraw/zinc/88/72/38/660887238.db2.gz OONJAKYWLBGTQH-MNOVXSKESA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@@H](C)O1 ZINC000707140241 660887241 /nfs/dbraw/zinc/88/72/41/660887241.db2.gz OONJAKYWLBGTQH-MNOVXSKESA-N 1 2 314.223 3.154 20 10 DGCDLO C[C@]1([NH2+]Cc2cc(Cl)cc(Br)c2O)CCOC1 ZINC000708057514 660917070 /nfs/dbraw/zinc/91/70/70/660917070.db2.gz VQRNKCOGTQSXOX-LBPRGKRZSA-N 1 2 320.614 3.077 20 10 DGCDLO CN(C)c1ccc(C[N@H+](C)Cc2cc[nH]n2)c(C(F)(F)F)c1 ZINC000792818605 660986501 /nfs/dbraw/zinc/98/65/01/660986501.db2.gz CLYSDSCAFYMMIM-UHFFFAOYSA-N 1 2 312.339 3.127 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](C)Cc2cc[nH]n2)c(C(F)(F)F)c1 ZINC000792818605 660986503 /nfs/dbraw/zinc/98/65/03/660986503.db2.gz CLYSDSCAFYMMIM-UHFFFAOYSA-N 1 2 312.339 3.127 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2C[C@H](C(F)(F)F)OC[C@@H]2C)cc1C ZINC000795694943 661168289 /nfs/dbraw/zinc/16/82/89/661168289.db2.gz UVZWEHBFNRMBSA-SMDDNHRTSA-N 1 2 303.324 3.161 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2C[C@H](C(F)(F)F)OC[C@@H]2C)cc1C ZINC000795694943 661168291 /nfs/dbraw/zinc/16/82/91/661168291.db2.gz UVZWEHBFNRMBSA-SMDDNHRTSA-N 1 2 303.324 3.161 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+]C1CC(F)(F)C1 ZINC000715804584 655740470 /nfs/dbraw/zinc/74/04/70/655740470.db2.gz PRUYTDYEMBLSAL-UHFFFAOYSA-N 1 2 310.113 3.181 20 10 DGCDLO CO[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)C(C)C ZINC000715799192 661213634 /nfs/dbraw/zinc/21/36/34/661213634.db2.gz ZLEPBVYZOYIMMD-GFCCVEGCSA-N 1 2 320.202 3.054 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1CCC=CO1 ZINC000715712141 661214245 /nfs/dbraw/zinc/21/42/45/661214245.db2.gz IZJCHDARMRXTBJ-LLVKDONJSA-N 1 2 316.170 3.076 20 10 DGCDLO C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715768161 661214755 /nfs/dbraw/zinc/21/47/55/661214755.db2.gz BWRKFSWABCGALW-RDDDGLTNSA-N 1 2 320.227 3.135 20 10 DGCDLO Cc1cc(Br)cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c1O ZINC000180256920 659957435 /nfs/dbraw/zinc/95/74/35/659957435.db2.gz NHSBITOGBUUBSP-QWRGUYRKSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1O ZINC000180256920 659957436 /nfs/dbraw/zinc/95/74/36/659957436.db2.gz NHSBITOGBUUBSP-QWRGUYRKSA-N 1 2 314.223 3.072 20 10 DGCDLO C[C@H]([NH2+]Cc1n[nH]cc1Br)c1ccc(N(C)C)cc1 ZINC000718141168 662232036 /nfs/dbraw/zinc/23/20/36/662232036.db2.gz KVNBSPSLJBSXNR-JTQLQIEISA-N 1 2 323.238 3.089 20 10 DGCDLO CCc1ccc([C@H]2COCC[N@@H+]2Cc2cc(C)ccc2O)o1 ZINC000093459460 662355510 /nfs/dbraw/zinc/35/55/10/662355510.db2.gz NFYRDJADDRHGOJ-MRXNPFEDSA-N 1 2 301.386 3.430 20 10 DGCDLO CCc1ccc([C@H]2COCC[N@H+]2Cc2cc(C)ccc2O)o1 ZINC000093459460 662355511 /nfs/dbraw/zinc/35/55/11/662355511.db2.gz NFYRDJADDRHGOJ-MRXNPFEDSA-N 1 2 301.386 3.430 20 10 DGCDLO C[C@H]1C[C@H](C[NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000388683373 685190693 /nfs/dbraw/zinc/19/06/93/685190693.db2.gz ISFRGNWGMVMELF-WDEREUQCSA-N 1 2 314.223 3.059 20 10 DGCDLO COc1ccnc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1F ZINC001621010478 1192782964 /nfs/dbraw/zinc/78/29/64/1192782964.db2.gz PYXPYASYTLMWEU-UHFFFAOYSA-N 1 2 314.719 3.017 20 10 DGCDLO C[C@H]1CCc2nc(C[N@@H+]3Cc4cccc(O)c4C3)sc2C1 ZINC001333368905 1178596067 /nfs/dbraw/zinc/59/60/67/1178596067.db2.gz OFUYRRQGAMFSHW-NSHDSACASA-N 1 2 300.427 3.489 20 10 DGCDLO C[C@H]1CCc2nc(C[N@H+]3Cc4cccc(O)c4C3)sc2C1 ZINC001333368905 1178596071 /nfs/dbraw/zinc/59/60/71/1178596071.db2.gz OFUYRRQGAMFSHW-NSHDSACASA-N 1 2 300.427 3.489 20 10 DGCDLO CN(C)c1ccc(NCc2cc(F)c(N(C)C)cc2F)[nH+]c1 ZINC001351506165 1180218414 /nfs/dbraw/zinc/21/84/14/1180218414.db2.gz BFMXOBVREPTGFC-UHFFFAOYSA-N 1 2 306.360 3.104 20 10 DGCDLO COc1cc(O)c(CNc2[nH+]cccc2OC(C)C)cc1OC ZINC001462101066 1182906951 /nfs/dbraw/zinc/90/69/51/1182906951.db2.gz CGXFSTFTUZQEIT-UHFFFAOYSA-N 1 2 318.373 3.204 20 10 DGCDLO C[N@H+](Cc1ncc[nH]1)Cc1ccc(OCc2ccccc2)cc1O ZINC001462157960 1182916600 /nfs/dbraw/zinc/91/66/00/1182916600.db2.gz PAPOLRILIRVJRL-UHFFFAOYSA-N 1 2 323.396 3.326 20 10 DGCDLO C[N@@H+](Cc1ncc[nH]1)Cc1ccc(OCc2ccccc2)cc1O ZINC001462157960 1182916607 /nfs/dbraw/zinc/91/66/07/1182916607.db2.gz PAPOLRILIRVJRL-UHFFFAOYSA-N 1 2 323.396 3.326 20 10 DGCDLO CCc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)nc(CC)[nH+]1 ZINC001472754779 1183677222 /nfs/dbraw/zinc/67/72/22/1183677222.db2.gz AJYYDYWBUKLUAW-NSHDSACASA-N 1 2 301.390 3.056 20 10 DGCDLO CC(=O)Nc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC001473919727 1183827188 /nfs/dbraw/zinc/82/71/88/1183827188.db2.gz OCDXTPHKQYNMJS-UHFFFAOYSA-N 1 2 322.767 3.433 20 10 DGCDLO C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccc(N(C)C)cc1 ZINC001556260525 1188992373 /nfs/dbraw/zinc/99/23/73/1188992373.db2.gz MDGABGZAPYYNNG-LBPRGKRZSA-N 1 2 308.385 3.120 20 10 DGCDLO Cc1[nH+]ccn1-c1ncccc1NCc1cc(F)cc(F)c1O ZINC001560425257 1189327803 /nfs/dbraw/zinc/32/78/03/1189327803.db2.gz XWDLNYOLMSTROY-UHFFFAOYSA-N 1 2 316.311 3.172 20 10 DGCDLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001560941586 1189408781 /nfs/dbraw/zinc/40/87/81/1189408781.db2.gz SWPIKNGEDVEKTC-UHFFFAOYSA-N 1 2 324.852 3.126 20 10 DGCDLO CC(C)[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCCC1 ZINC001648766051 1195329410 /nfs/dbraw/zinc/32/94/10/1195329410.db2.gz YDHSBWXTTNRZED-OAHLLOKOSA-N 1 2 314.832 3.395 20 10 DGCDLO CC(C)[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCCC1 ZINC001648766045 1195329455 /nfs/dbraw/zinc/32/94/55/1195329455.db2.gz YDHSBWXTTNRZED-HNNXBMFYSA-N 1 2 314.832 3.395 20 10 DGCDLO C[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCCC[C@H]1O ZINC001656689457 1196062170 /nfs/dbraw/zinc/06/21/70/1196062170.db2.gz XXVBZULUKQCWEL-UKRRQHHQSA-N 1 2 301.789 3.216 20 10 DGCDLO CC1(C)CO[C@@H](CC[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001656960822 1196087411 /nfs/dbraw/zinc/08/74/11/1196087411.db2.gz VRIWYKNAHDOWKV-LBPRGKRZSA-N 1 2 301.789 3.480 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1COc2ccccc2C1 ZINC001657172161 1196114806 /nfs/dbraw/zinc/11/48/06/1196114806.db2.gz FYVFWRCRZCMPFF-CYBMUJFWSA-N 1 2 307.752 3.278 20 10 DGCDLO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc(F)c(F)c2O)o1 ZINC001657999345 1196200977 /nfs/dbraw/zinc/20/09/77/1196200977.db2.gz DMBOTNDGMSOWRW-UHFFFAOYSA-N 1 2 324.371 3.136 20 10 DGCDLO Oc1ccc(F)cc1C[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC001658422398 1196253702 /nfs/dbraw/zinc/25/37/02/1196253702.db2.gz BAPFSGGIMBUUAT-UHFFFAOYSA-N 1 2 322.330 3.132 20 10 DGCDLO CC(C)[C@@H]1C[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC001658796899 1196302957 /nfs/dbraw/zinc/30/29/57/1196302957.db2.gz KOHIIEZMFJEWKK-CMPLNLGQSA-N 1 2 302.187 3.428 20 10 DGCDLO OC[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1cc(F)ccc1F ZINC001660897364 1196539989 /nfs/dbraw/zinc/53/99/89/1196539989.db2.gz AYODRQYDKQCPNI-CQSZACIVSA-N 1 2 313.731 3.147 20 10 DGCDLO O=c1[nH]ccc2oc(C[NH2+]Cc3cccc(Cl)c3O)cc21 ZINC001663441611 1196868469 /nfs/dbraw/zinc/86/84/69/1196868469.db2.gz ALCAMPOAIRFJJE-UHFFFAOYSA-N 1 2 304.733 3.182 20 10 DGCDLO CC(C)([NH2+]Cc1ccc(F)c(F)c1O)C(=O)Nc1ccccc1 ZINC001665350840 1197126273 /nfs/dbraw/zinc/12/62/73/1197126273.db2.gz VPPLTRAPGPUAND-UHFFFAOYSA-N 1 2 320.339 3.177 20 10 DGCDLO Oc1cc(F)cc(F)c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC001140582926 1082582306 /nfs/dbraw/zinc/58/23/06/1082582306.db2.gz PTSRSATWEWITMS-UHFFFAOYSA-N 1 2 324.415 3.368 20 10 DGCDLO COc1ccc(CC[N@H+](C)Cc2c(O)cc(F)cc2F)cc1 ZINC001140583505 1082586003 /nfs/dbraw/zinc/58/60/03/1082586003.db2.gz IYOZHGHLSCUNCV-UHFFFAOYSA-N 1 2 307.340 3.354 20 10 DGCDLO COc1ccc(CC[N@@H+](C)Cc2c(O)cc(F)cc2F)cc1 ZINC001140583505 1082586007 /nfs/dbraw/zinc/58/60/07/1082586007.db2.gz IYOZHGHLSCUNCV-UHFFFAOYSA-N 1 2 307.340 3.354 20 10 DGCDLO Oc1c(C[NH2+]Cc2noc3ccc(F)cc23)ccc(F)c1F ZINC001183406032 1083939078 /nfs/dbraw/zinc/93/90/78/1083939078.db2.gz AZDXEEYMSNPBCP-UHFFFAOYSA-N 1 2 308.259 3.241 20 10 DGCDLO Oc1cc(O)c(CCNc2cc3cc(F)ccc3c[nH+]2)cc1O ZINC001168006622 1086156842 /nfs/dbraw/zinc/15/68/42/1086156842.db2.gz QVFPFHDHHPJWJY-UHFFFAOYSA-N 1 2 314.316 3.145 20 10 DGCDLO Cc1ccccc1N1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142509187 1087274895 /nfs/dbraw/zinc/27/48/95/1087274895.db2.gz ZTUSCYUETRIDQV-UHFFFAOYSA-N 1 2 318.367 3.301 20 10 DGCDLO CCN(Cc1ccccc1O)c1cc(N2CCCCC2)[nH+]cn1 ZINC001154888735 1088810273 /nfs/dbraw/zinc/81/02/73/1088810273.db2.gz JXOQNYZDKXNUOW-UHFFFAOYSA-N 1 2 312.417 3.199 20 10 DGCDLO CCN(Cc1ccccc1O)c1cc(N2CCCCC2)nc[nH+]1 ZINC001154888735 1088810298 /nfs/dbraw/zinc/81/02/98/1088810298.db2.gz JXOQNYZDKXNUOW-UHFFFAOYSA-N 1 2 312.417 3.199 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)c(Cl)c1 ZINC001236800086 1089924641 /nfs/dbraw/zinc/92/46/41/1089924641.db2.gz WROAASVGRUIXHC-UONOGXRCSA-N 1 2 305.752 3.326 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)c(Cl)c1 ZINC001236800086 1089924651 /nfs/dbraw/zinc/92/46/51/1089924651.db2.gz WROAASVGRUIXHC-UONOGXRCSA-N 1 2 305.752 3.326 20 10 DGCDLO COc1cccc(C[N@@H+]2CCc3nc(Cl)ccc3C2)c1O ZINC001203595754 1090764717 /nfs/dbraw/zinc/76/47/17/1090764717.db2.gz JMNQWGPOPHJJEF-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1cccc(C[N@H+]2CCc3nc(Cl)ccc3C2)c1O ZINC001203595754 1090764722 /nfs/dbraw/zinc/76/47/22/1090764722.db2.gz JMNQWGPOPHJJEF-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO CN(C)c1ccc(C[NH+]2CC(Oc3ccc(F)c(F)c3)C2)cc1 ZINC001203934552 1090843270 /nfs/dbraw/zinc/84/32/70/1090843270.db2.gz WDUWYGPGYUDUQY-UHFFFAOYSA-N 1 2 318.367 3.294 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2c(O)cccc2F)cc(OC)c1 ZINC001137837346 1091205722 /nfs/dbraw/zinc/20/57/22/1091205722.db2.gz BZEFDTURXFEMEO-UHFFFAOYSA-N 1 2 305.349 3.181 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2c(O)cccc2F)cc(OC)c1 ZINC001137837346 1091205731 /nfs/dbraw/zinc/20/57/31/1091205731.db2.gz BZEFDTURXFEMEO-UHFFFAOYSA-N 1 2 305.349 3.181 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cccc(Br)n1)CC2 ZINC001205982003 1091436152 /nfs/dbraw/zinc/43/61/52/1091436152.db2.gz BRAPQLUNMLOOPM-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cccc(Br)n1)CC2 ZINC001205982003 1091436157 /nfs/dbraw/zinc/43/61/57/1091436157.db2.gz BRAPQLUNMLOOPM-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(C)(C)CC1 ZINC001139128988 1091459178 /nfs/dbraw/zinc/45/91/78/1091459178.db2.gz JTTZYEJEKONEHP-UHFFFAOYSA-N 1 2 301.386 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)C[C@@H]1CC1(C)C ZINC001139130665 1091459266 /nfs/dbraw/zinc/45/92/66/1091459266.db2.gz GXWHAFMFFBSPFF-LBPRGKRZSA-N 1 2 301.386 3.285 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)C[C@@H]1CC1(C)C ZINC001139130665 1091459270 /nfs/dbraw/zinc/45/92/70/1091459270.db2.gz GXWHAFMFFBSPFF-LBPRGKRZSA-N 1 2 301.386 3.285 20 10 DGCDLO C[N@H+](CC(=O)OCc1ccccc1)Cc1ccc(Cl)cc1O ZINC001140464400 1091875686 /nfs/dbraw/zinc/87/56/86/1091875686.db2.gz OEZDJNWMZDPQKG-UHFFFAOYSA-N 1 2 319.788 3.221 20 10 DGCDLO C[N@@H+](CC(=O)OCc1ccccc1)Cc1ccc(Cl)cc1O ZINC001140464400 1091875694 /nfs/dbraw/zinc/87/56/94/1091875694.db2.gz OEZDJNWMZDPQKG-UHFFFAOYSA-N 1 2 319.788 3.221 20 10 DGCDLO COC(=O)C[N@H+](Cc1ccc(N(C)C)cc1Cl)C1CCCC1 ZINC001140925603 1092064638 /nfs/dbraw/zinc/06/46/38/1092064638.db2.gz SKDMFZHIPQRKHM-UHFFFAOYSA-N 1 2 324.852 3.324 20 10 DGCDLO COC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1Cl)C1CCCC1 ZINC001140925603 1092064645 /nfs/dbraw/zinc/06/46/45/1092064645.db2.gz SKDMFZHIPQRKHM-UHFFFAOYSA-N 1 2 324.852 3.324 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCc3ncccc3C2)c(Cl)c1 ZINC001140924643 1092065260 /nfs/dbraw/zinc/06/52/60/1092065260.db2.gz KDIHVVBOGMICDC-UHFFFAOYSA-N 1 2 301.821 3.359 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCc3ncccc3C2)c(Cl)c1 ZINC001140924643 1092065267 /nfs/dbraw/zinc/06/52/67/1092065267.db2.gz KDIHVVBOGMICDC-UHFFFAOYSA-N 1 2 301.821 3.359 20 10 DGCDLO C[N@H+](Cc1cscn1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077876 1092130194 /nfs/dbraw/zinc/13/01/94/1092130194.db2.gz DJPFTVJAAXCEEZ-UHFFFAOYSA-N 1 2 313.470 3.474 20 10 DGCDLO C[N@@H+](Cc1cscn1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077876 1092130197 /nfs/dbraw/zinc/13/01/97/1092130197.db2.gz DJPFTVJAAXCEEZ-UHFFFAOYSA-N 1 2 313.470 3.474 20 10 DGCDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209518071 1092804931 /nfs/dbraw/zinc/80/49/31/1092804931.db2.gz MPBGTIXMRZWKSE-HNNXBMFYSA-N 1 2 300.402 3.087 20 10 DGCDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209518071 1092804939 /nfs/dbraw/zinc/80/49/39/1092804939.db2.gz MPBGTIXMRZWKSE-HNNXBMFYSA-N 1 2 300.402 3.087 20 10 DGCDLO CN(C)c1ccc(C[N@H+](C)Cc2nc(C(F)(F)F)c[nH]2)cc1 ZINC001137018813 1095289003 /nfs/dbraw/zinc/28/90/03/1095289003.db2.gz GQWNYOABMCVIKS-UHFFFAOYSA-N 1 2 312.339 3.127 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](C)Cc2nc(C(F)(F)F)c[nH]2)cc1 ZINC001137018813 1095289012 /nfs/dbraw/zinc/28/90/12/1095289012.db2.gz GQWNYOABMCVIKS-UHFFFAOYSA-N 1 2 312.339 3.127 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001144306907 1095600787 /nfs/dbraw/zinc/60/07/87/1095600787.db2.gz WGTSKSCFXXKPOD-ARENWVFISA-N 1 2 318.161 3.226 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001144306907 1095600790 /nfs/dbraw/zinc/60/07/90/1095600790.db2.gz WGTSKSCFXXKPOD-ARENWVFISA-N 1 2 318.161 3.226 20 10 DGCDLO CN(C)c1ccc(C[N@H+](C)Cc2c(F)cc(O)cc2F)cc1 ZINC001144560832 1095712542 /nfs/dbraw/zinc/71/25/42/1095712542.db2.gz AUXLOYCMOSMOFJ-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO CN(C)c1ccc(C[N@@H+](C)Cc2c(F)cc(O)cc2F)cc1 ZINC001144560832 1095712556 /nfs/dbraw/zinc/71/25/56/1095712556.db2.gz AUXLOYCMOSMOFJ-UHFFFAOYSA-N 1 2 306.356 3.368 20 10 DGCDLO Oc1c(F)cccc1C[N@@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001138129722 1095897952 /nfs/dbraw/zinc/89/79/52/1095897952.db2.gz SQMGBUSFCVJHHA-UHFFFAOYSA-N 1 2 323.371 3.275 20 10 DGCDLO CCc1csc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)n1 ZINC001232474242 1098050694 /nfs/dbraw/zinc/05/06/94/1098050694.db2.gz TVLOQGPABWSTBJ-UHFFFAOYSA-N 1 2 304.415 3.065 20 10 DGCDLO CCc1csc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)n1 ZINC001232474242 1098050698 /nfs/dbraw/zinc/05/06/98/1098050698.db2.gz TVLOQGPABWSTBJ-UHFFFAOYSA-N 1 2 304.415 3.065 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)ccc(F)c1F ZINC001233074822 1098219992 /nfs/dbraw/zinc/21/99/92/1098219992.db2.gz XRWHFGPIDLHDPV-GFCCVEGCSA-N 1 2 313.241 3.394 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)ccc(F)c1F ZINC001233074822 1098219997 /nfs/dbraw/zinc/21/99/97/1098219997.db2.gz XRWHFGPIDLHDPV-GFCCVEGCSA-N 1 2 313.241 3.394 20 10 DGCDLO Cc1cccc(O[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC001233079949 1098220737 /nfs/dbraw/zinc/22/07/37/1098220737.db2.gz OFGTUWMTBWGAQD-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC001233079949 1098220743 /nfs/dbraw/zinc/22/07/43/1098220743.db2.gz OFGTUWMTBWGAQD-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)nc1 ZINC001233079944 1098221289 /nfs/dbraw/zinc/22/12/89/1098221289.db2.gz OCRHUSDQURLWBA-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)nc1 ZINC001233079944 1098221293 /nfs/dbraw/zinc/22/12/93/1098221293.db2.gz OCRHUSDQURLWBA-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233080258 1098221340 /nfs/dbraw/zinc/22/13/40/1098221340.db2.gz UHOJKUGKIIFSRF-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001233080258 1098221343 /nfs/dbraw/zinc/22/13/43/1098221343.db2.gz UHOJKUGKIIFSRF-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2c(O)ccc(F)c2F)cc(OC)c1 ZINC001233334412 1098292847 /nfs/dbraw/zinc/29/28/47/1098292847.db2.gz FXCCSCYMZDXGOC-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2c(O)ccc(F)c2F)cc(OC)c1 ZINC001233334412 1098292851 /nfs/dbraw/zinc/29/28/51/1098292851.db2.gz FXCCSCYMZDXGOC-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001233334323 1098293029 /nfs/dbraw/zinc/29/30/29/1098293029.db2.gz BTHAAMOBICKTQC-AWEZNQCLSA-N 1 2 319.351 3.462 20 10 DGCDLO Oc1ccc(F)c(F)c1C[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001233334323 1098293034 /nfs/dbraw/zinc/29/30/34/1098293034.db2.gz BTHAAMOBICKTQC-AWEZNQCLSA-N 1 2 319.351 3.462 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001235218192 1098887309 /nfs/dbraw/zinc/88/73/09/1098887309.db2.gz KJOWMXNDWPRUMX-DLBZAZTESA-N 1 2 314.816 3.117 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001235218192 1098887327 /nfs/dbraw/zinc/88/73/27/1098887327.db2.gz KJOWMXNDWPRUMX-DLBZAZTESA-N 1 2 314.816 3.117 20 10 DGCDLO CN(C)c1ccc(/C=C/C(=O)Nc2ccn3cc[nH+]c3c2)cc1 ZINC001180123020 1099320969 /nfs/dbraw/zinc/32/09/69/1099320969.db2.gz KHWOBLMYJBCZSH-VMPITWQZSA-N 1 2 306.369 3.052 20 10 DGCDLO Nc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001236109684 1099398412 /nfs/dbraw/zinc/39/84/12/1099398412.db2.gz VRPCTNCJTFEOSB-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO Nc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001236109684 1099398425 /nfs/dbraw/zinc/39/84/25/1099398425.db2.gz VRPCTNCJTFEOSB-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO CN(Cc1cc(Cl)c(Cl)cc1O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236215024 1099471271 /nfs/dbraw/zinc/47/12/71/1099471271.db2.gz GZMPWERFYQSJSR-STQMWFEESA-N 1 2 303.233 3.401 20 10 DGCDLO C[N@H+](CC(=O)OCc1ccccc1)Cc1cc(Cl)ccc1O ZINC001203665408 1099560524 /nfs/dbraw/zinc/56/05/24/1099560524.db2.gz IVVBNDHANGNSLQ-UHFFFAOYSA-N 1 2 319.788 3.221 20 10 DGCDLO C[N@@H+](CC(=O)OCc1ccccc1)Cc1cc(Cl)ccc1O ZINC001203665408 1099560534 /nfs/dbraw/zinc/56/05/34/1099560534.db2.gz IVVBNDHANGNSLQ-UHFFFAOYSA-N 1 2 319.788 3.221 20 10 DGCDLO [O-]c1c(F)ccc(F)c1C[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236650699 1099721697 /nfs/dbraw/zinc/72/16/97/1099721697.db2.gz DFEWLOMCPBAPBX-ZDUSSCGKSA-N 1 2 310.388 3.167 20 10 DGCDLO [O-]c1c(F)ccc(F)c1C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236650699 1099721701 /nfs/dbraw/zinc/72/17/01/1099721701.db2.gz DFEWLOMCPBAPBX-ZDUSSCGKSA-N 1 2 310.388 3.167 20 10 DGCDLO Oc1c(F)ccc(F)c1CN([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236650699 1099721703 /nfs/dbraw/zinc/72/17/03/1099721703.db2.gz DFEWLOMCPBAPBX-ZDUSSCGKSA-N 1 2 310.388 3.167 20 10 DGCDLO COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(O)c1Cl ZINC001236801977 1099796121 /nfs/dbraw/zinc/79/61/21/1099796121.db2.gz LXSBAAYWNYIBPK-YPMHNXCESA-N 1 2 311.809 3.055 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(O)c1Cl ZINC001236801977 1099796125 /nfs/dbraw/zinc/79/61/25/1099796125.db2.gz LXSBAAYWNYIBPK-YPMHNXCESA-N 1 2 311.809 3.055 20 10 DGCDLO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(O)c1Cl ZINC001236801974 1099796298 /nfs/dbraw/zinc/79/62/98/1099796298.db2.gz LXSBAAYWNYIBPK-DGCLKSJQSA-N 1 2 311.809 3.055 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c(O)c1Cl ZINC001236801974 1099796305 /nfs/dbraw/zinc/79/63/05/1099796305.db2.gz LXSBAAYWNYIBPK-DGCLKSJQSA-N 1 2 311.809 3.055 20 10 DGCDLO COc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(O)c1Cl ZINC001236802306 1099796328 /nfs/dbraw/zinc/79/63/28/1099796328.db2.gz SGINBOPVIJSBOA-INIZCTEOSA-N 1 2 311.809 3.057 20 10 DGCDLO COc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c(O)c1Cl ZINC001236802306 1099796333 /nfs/dbraw/zinc/79/63/33/1099796333.db2.gz SGINBOPVIJSBOA-INIZCTEOSA-N 1 2 311.809 3.057 20 10 DGCDLO Oc1cc2ccccc2cc1C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001236834305 1099819329 /nfs/dbraw/zinc/81/93/29/1099819329.db2.gz WCNAVEOZERNENI-HNNXBMFYSA-N 1 2 311.303 3.309 20 10 DGCDLO Oc1cc2ccccc2cc1C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC001236834305 1099819340 /nfs/dbraw/zinc/81/93/40/1099819340.db2.gz WCNAVEOZERNENI-HNNXBMFYSA-N 1 2 311.303 3.309 20 10 DGCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001237079535 1099959340 /nfs/dbraw/zinc/95/93/40/1099959340.db2.gz LRUDIGVDJYSFAL-RNCFNFMXSA-N 1 2 302.201 3.310 20 10 DGCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001237079535 1099959345 /nfs/dbraw/zinc/95/93/45/1099959345.db2.gz LRUDIGVDJYSFAL-RNCFNFMXSA-N 1 2 302.201 3.310 20 10 DGCDLO Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCn2nccc2C1 ZINC001237648717 1100204843 /nfs/dbraw/zinc/20/48/43/1100204843.db2.gz FIKVQJJGUFJATM-UHFFFAOYSA-N 1 2 323.371 3.411 20 10 DGCDLO Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCn2nccc2C1 ZINC001237648717 1100204852 /nfs/dbraw/zinc/20/48/52/1100204852.db2.gz FIKVQJJGUFJATM-UHFFFAOYSA-N 1 2 323.371 3.411 20 10 DGCDLO CCN(CC[NH+]1CCCC1)Cc1cc(F)cc(Cl)c1O ZINC001237798768 1100251711 /nfs/dbraw/zinc/25/17/11/1100251711.db2.gz NHDGOKKEJYIYDA-UHFFFAOYSA-N 1 2 300.805 3.102 20 10 DGCDLO c1cn2cc(-c3cc(N4CCc5ccccc54)ncn3)ccc2[nH+]1 ZINC001240217316 1100899265 /nfs/dbraw/zinc/89/92/65/1100899265.db2.gz MMGXRMWRGNRLCY-UHFFFAOYSA-N 1 2 313.364 3.486 20 10 DGCDLO COc1nccc(Cl)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001248795490 1105163116 /nfs/dbraw/zinc/16/31/16/1105163116.db2.gz GYMIAFBEHFQGAG-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO COc1nccc(Cl)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001248795490 1105163122 /nfs/dbraw/zinc/16/31/22/1105163122.db2.gz GYMIAFBEHFQGAG-UHFFFAOYSA-N 1 2 304.777 3.008 20 10 DGCDLO CC(C)(C)c1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cc1Cl ZINC001248881190 1105185958 /nfs/dbraw/zinc/18/59/58/1105185958.db2.gz SCUUEVDBKVKROZ-ZIAGYGMSSA-N 1 2 315.816 3.248 20 10 DGCDLO CC(C)(C)c1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cc1Cl ZINC001248881190 1105185959 /nfs/dbraw/zinc/18/59/59/1105185959.db2.gz SCUUEVDBKVKROZ-ZIAGYGMSSA-N 1 2 315.816 3.248 20 10 DGCDLO CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001320640534 1107084146 /nfs/dbraw/zinc/08/41/46/1107084146.db2.gz SJSVFOCVXOSFKO-KGLIPLIRSA-N 1 2 300.805 3.147 20 10 DGCDLO Cc1noc([C@H](C)[N@H+](C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001261554112 1107463848 /nfs/dbraw/zinc/46/38/48/1107463848.db2.gz UJPOHABCUJPALE-ZDUSSCGKSA-N 1 2 300.406 3.171 20 10 DGCDLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001261554112 1107463853 /nfs/dbraw/zinc/46/38/53/1107463853.db2.gz UJPOHABCUJPALE-ZDUSSCGKSA-N 1 2 300.406 3.171 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH2+]Cc1nc(-c2ccccc2)no1 ZINC001308670521 1111458355 /nfs/dbraw/zinc/45/83/55/1111458355.db2.gz BKMWEEJYQZUELL-UHFFFAOYSA-N 1 2 317.295 3.010 20 10 DGCDLO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cccc(Br)c1O ZINC001308741895 1111468320 /nfs/dbraw/zinc/46/83/20/1111468320.db2.gz KOHQXWQGHDJOGY-QWRGUYRKSA-N 1 2 314.223 3.059 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCN1Cc1ccccc1 ZINC001308816496 1111479702 /nfs/dbraw/zinc/47/97/02/1111479702.db2.gz BDQGOQUSOUMZEE-OAHLLOKOSA-N 1 2 314.404 3.238 20 10 DGCDLO C[C@@H]1CN(Cc2cccc(F)c2O)CC[N@@H+]1Cc1ccccc1 ZINC001308816496 1111479699 /nfs/dbraw/zinc/47/96/99/1111479699.db2.gz BDQGOQUSOUMZEE-OAHLLOKOSA-N 1 2 314.404 3.238 20 10 DGCDLO C[C@@H]1CN(Cc2cccc(F)c2O)CC[N@H+]1Cc1ccccc1 ZINC001308816496 1111479700 /nfs/dbraw/zinc/47/97/00/1111479700.db2.gz BDQGOQUSOUMZEE-OAHLLOKOSA-N 1 2 314.404 3.238 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCN1Cc1ccccc1 ZINC001308816496 1111479703 /nfs/dbraw/zinc/47/97/03/1111479703.db2.gz BDQGOQUSOUMZEE-OAHLLOKOSA-N 1 2 314.404 3.238 20 10 DGCDLO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccncc1 ZINC000273588301 130140053 /nfs/dbraw/zinc/14/00/53/130140053.db2.gz OKANEGXOUXJABF-XHDPSFHLSA-N 1 2 301.346 3.497 20 10 DGCDLO Cc1[nH]ncc1C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000275350889 130308814 /nfs/dbraw/zinc/30/88/14/130308814.db2.gz QOARBKGIYJVRNR-SNVBAGLBSA-N 1 2 324.222 3.345 20 10 DGCDLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000284167619 131056248 /nfs/dbraw/zinc/05/62/48/131056248.db2.gz WVVAGZHQGYDCGI-UHFFFAOYSA-N 1 2 314.433 3.393 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cccc(Cl)c1O ZINC000287559363 131286788 /nfs/dbraw/zinc/28/67/88/131286788.db2.gz GEJPOJXNICYJRW-GWCFXTLKSA-N 1 2 312.841 3.390 20 10 DGCDLO CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1cccc(Cl)c1O ZINC000287559380 131287267 /nfs/dbraw/zinc/28/72/67/131287267.db2.gz GEJPOJXNICYJRW-ZWNOBZJWSA-N 1 2 312.841 3.390 20 10 DGCDLO CC[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cccc(Cl)c1O ZINC000287677327 131294049 /nfs/dbraw/zinc/29/40/49/131294049.db2.gz MLKVMVIBZGABNX-DOMZBBRYSA-N 1 2 313.825 3.282 20 10 DGCDLO CC[C@@H]([NH2+]CCSCCCO)c1cccc(Cl)c1O ZINC000287834288 286908397 /nfs/dbraw/zinc/90/83/97/286908397.db2.gz VVJXBWACIIYPSL-CYBMUJFWSA-N 1 2 303.855 3.202 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000134194925 227041284 /nfs/dbraw/zinc/04/12/84/227041284.db2.gz IXNNXTVDEDUUDP-CYBMUJFWSA-N 1 2 315.244 3.369 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000134194925 227041289 /nfs/dbraw/zinc/04/12/89/227041289.db2.gz IXNNXTVDEDUUDP-CYBMUJFWSA-N 1 2 315.244 3.369 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000182636134 228368787 /nfs/dbraw/zinc/36/87/87/228368787.db2.gz USYZMBOXLJPGEE-IUODEOHRSA-N 1 2 313.850 3.190 20 10 DGCDLO CC[C@H]([NH2+]CC(=O)N(C)CC)c1cc(Cl)cc(Cl)c1O ZINC000287685911 288035921 /nfs/dbraw/zinc/03/59/21/288035921.db2.gz MXAAQIWFNMHYIG-LBPRGKRZSA-N 1 2 319.232 3.218 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)c1cccc(Cl)c1O ZINC000287667125 288058897 /nfs/dbraw/zinc/05/88/97/288058897.db2.gz LZPSPIFARNIJHB-JXBWDGJFSA-N 1 2 303.855 3.243 20 10 DGCDLO CC[C@@H]([NH2+]Cc1nncn1C)c1cc(Cl)cc(Cl)c1O ZINC000287285987 280191220 /nfs/dbraw/zinc/19/12/20/280191220.db2.gz BTEHWCJTONNGJJ-LLVKDONJSA-N 1 2 315.204 3.068 20 10 DGCDLO C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000037158027 431844504 /nfs/dbraw/zinc/84/45/04/431844504.db2.gz OBPSPBCBRBUUEO-VIFPVBQESA-N 1 2 300.189 3.074 20 10 DGCDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(N2CCCCCC2)cc1 ZINC000090970076 431898926 /nfs/dbraw/zinc/89/89/26/431898926.db2.gz BUBGEBLXKNDSNF-HNNXBMFYSA-N 1 2 313.449 3.046 20 10 DGCDLO OC[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000153155742 432387904 /nfs/dbraw/zinc/38/79/04/432387904.db2.gz OJGHICSTTFOCJP-WVSHTKLVSA-N 1 2 304.217 3.340 20 10 DGCDLO OC[C@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1ccc(F)cc1 ZINC000271945345 432429796 /nfs/dbraw/zinc/42/97/96/432429796.db2.gz XHPINCZXNMSZOP-ZDUSSCGKSA-N 1 2 323.795 3.126 20 10 DGCDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H](O)c1cccc(F)c1 ZINC000271858917 432426350 /nfs/dbraw/zinc/42/63/50/432426350.db2.gz VLGQGKGTAPWURF-ZUZCIYMTSA-N 1 2 309.768 3.396 20 10 DGCDLO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(F)c1O)CC2 ZINC000272300284 432478238 /nfs/dbraw/zinc/47/82/38/432478238.db2.gz PNHMYADNWFVQMV-UHFFFAOYSA-N 1 2 317.360 3.107 20 10 DGCDLO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(F)c1O)CC2 ZINC000272300284 432478241 /nfs/dbraw/zinc/47/82/41/432478241.db2.gz PNHMYADNWFVQMV-UHFFFAOYSA-N 1 2 317.360 3.107 20 10 DGCDLO Cc1cc(C(=O)NCc2[nH+]ccn2C)c(C)n1-c1ccccc1C ZINC000264325862 432635697 /nfs/dbraw/zinc/63/56/97/432635697.db2.gz RNPXEXVUBOVJGM-UHFFFAOYSA-N 1 2 322.412 3.066 20 10 DGCDLO CN(C)[C@H](C[NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000159730198 432694012 /nfs/dbraw/zinc/69/40/12/432694012.db2.gz KUSFURBKUGNZCV-MRXNPFEDSA-N 1 2 304.821 3.438 20 10 DGCDLO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187716651 432680222 /nfs/dbraw/zinc/68/02/22/432680222.db2.gz WJDQYGZUEIBVEQ-IAQYHMDHSA-N 1 2 307.340 3.363 20 10 DGCDLO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187798217 432687075 /nfs/dbraw/zinc/68/70/75/432687075.db2.gz HFQZIYWHHRVICV-NHYWBVRUSA-N 1 2 307.340 3.363 20 10 DGCDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2c(O)cccc2Cl)cn1 ZINC000276734373 432824422 /nfs/dbraw/zinc/82/44/22/432824422.db2.gz CDZGKKMBISQJFT-AWEZNQCLSA-N 1 2 323.849 3.069 20 10 DGCDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2c(O)cccc2Cl)cn1 ZINC000276734373 432824426 /nfs/dbraw/zinc/82/44/26/432824426.db2.gz CDZGKKMBISQJFT-AWEZNQCLSA-N 1 2 323.849 3.069 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000278306644 432891260 /nfs/dbraw/zinc/89/12/60/432891260.db2.gz DVNXUEOJLRXADY-UHFFFAOYSA-N 1 2 315.694 3.052 20 10 DGCDLO C[C@@H]([NH2+]Cc1ncc(C(F)(F)F)cn1)c1cc(F)ccc1O ZINC000296333544 432896932 /nfs/dbraw/zinc/89/69/32/432896932.db2.gz HLBMQUATZCFILV-MRVPVSSYSA-N 1 2 315.270 3.191 20 10 DGCDLO COCC[N@H+](Cc1ccccn1)Cc1c(O)cccc1Cl ZINC000289964890 432980590 /nfs/dbraw/zinc/98/05/90/432980590.db2.gz YTXIUQNQIOOTIH-UHFFFAOYSA-N 1 2 306.793 3.089 20 10 DGCDLO COCC[N@@H+](Cc1ccccn1)Cc1c(O)cccc1Cl ZINC000289964890 432980593 /nfs/dbraw/zinc/98/05/93/432980593.db2.gz YTXIUQNQIOOTIH-UHFFFAOYSA-N 1 2 306.793 3.089 20 10 DGCDLO Cc1nnsc1C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000291657759 433302343 /nfs/dbraw/zinc/30/23/43/433302343.db2.gz DRPDPMLFGBPBOY-UHFFFAOYSA-N 1 2 304.202 3.149 20 10 DGCDLO C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(F)c(F)c1O ZINC000187676381 290028815 /nfs/dbraw/zinc/02/88/15/290028815.db2.gz NOYCHGZSLQLJHW-JQWIXIFHSA-N 1 2 305.324 3.325 20 10 DGCDLO OC[C@]1([NH2+]Cc2cccc(Cl)c2O)CCCc2ccccc21 ZINC000282119361 433501932 /nfs/dbraw/zinc/50/19/32/433501932.db2.gz AQPHAUNQUDQVRU-GOSISDBHSA-N 1 2 317.816 3.359 20 10 DGCDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2O)c2ccccc2O1 ZINC000294979693 434160230 /nfs/dbraw/zinc/16/02/30/434160230.db2.gz GKIAYOPQCXIRJA-IAQYHMDHSA-N 1 2 314.341 3.302 20 10 DGCDLO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000365821337 434310192 /nfs/dbraw/zinc/31/01/92/434310192.db2.gz PYOZXPUFEBSEFA-CYBMUJFWSA-N 1 2 305.809 3.159 20 10 DGCDLO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000365821337 434310202 /nfs/dbraw/zinc/31/02/02/434310202.db2.gz PYOZXPUFEBSEFA-CYBMUJFWSA-N 1 2 305.809 3.159 20 10 DGCDLO CC[C@@H]([NH2+][C@H](CCO)COC)c1cc(Cl)cc(Cl)c1O ZINC000287281830 434325979 /nfs/dbraw/zinc/32/59/79/434325979.db2.gz BMOZJFBDIMEDOU-ZWNOBZJWSA-N 1 2 322.232 3.137 20 10 DGCDLO Cc1[nH]c(-c2cccc(NC(=O)c3cccc(O)c3O)c2)[nH+]c1C ZINC000366076414 434326374 /nfs/dbraw/zinc/32/63/74/434326374.db2.gz ZAUOKZYMLBBIIE-UHFFFAOYSA-N 1 2 323.352 3.357 20 10 DGCDLO O=C([C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O)N1CCCC1 ZINC000368460626 434573869 /nfs/dbraw/zinc/57/38/69/434573869.db2.gz APLGFLAMFHMQBK-HNNXBMFYSA-N 1 2 322.836 3.023 20 10 DGCDLO O=C([C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O)N1CCCC1 ZINC000368460626 434573874 /nfs/dbraw/zinc/57/38/74/434573874.db2.gz APLGFLAMFHMQBK-HNNXBMFYSA-N 1 2 322.836 3.023 20 10 DGCDLO CC(C)(C)c1ncc2c(n1)CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000529640209 435038438 /nfs/dbraw/zinc/03/84/38/435038438.db2.gz HAYBNHOKHYSACV-UHFFFAOYSA-N 1 2 315.392 3.177 20 10 DGCDLO CC(C)(C)c1ncc2c(n1)CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000529640209 435038445 /nfs/dbraw/zinc/03/84/45/435038445.db2.gz HAYBNHOKHYSACV-UHFFFAOYSA-N 1 2 315.392 3.177 20 10 DGCDLO CCC[C@H]([NH2+]Cc1c(C)c2ccccc2n1C)C(=O)OCC ZINC000481569113 435432849 /nfs/dbraw/zinc/43/28/49/435432849.db2.gz DCJMOUHKCUUBBL-HNNXBMFYSA-N 1 2 302.418 3.308 20 10 DGCDLO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cccc(Cl)c1O ZINC000182658207 518665129 /nfs/dbraw/zinc/66/51/29/518665129.db2.gz HKLRJTYEIMMRRX-UHFFFAOYSA-N 1 2 312.841 3.076 20 10 DGCDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000180059323 534454800 /nfs/dbraw/zinc/45/48/00/534454800.db2.gz PZVXIEYYVUKJBL-KRWDZBQOSA-N 1 2 323.314 3.383 20 10 DGCDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000180059323 534454806 /nfs/dbraw/zinc/45/48/06/534454806.db2.gz PZVXIEYYVUKJBL-KRWDZBQOSA-N 1 2 323.314 3.383 20 10 DGCDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1c(O)cccc1Cl ZINC000131734949 523277273 /nfs/dbraw/zinc/27/72/73/523277273.db2.gz IHYKQVSPEOGALJ-NRFANRHFSA-N 1 2 323.845 3.415 20 10 DGCDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1c(O)cccc1Cl ZINC000131734949 523277286 /nfs/dbraw/zinc/27/72/86/523277286.db2.gz IHYKQVSPEOGALJ-NRFANRHFSA-N 1 2 323.845 3.415 20 10 DGCDLO Cc1cc(C(=O)NCc2[nH]c[nH+]c2C)c(C)n1-c1cccc(C)c1 ZINC000266975875 524113215 /nfs/dbraw/zinc/11/32/15/524113215.db2.gz NUSDMGCHZIPJOI-UHFFFAOYSA-N 1 2 322.412 3.364 20 10 DGCDLO OCCSCc1cc[nH+]c(NCc2c(O)cccc2Cl)c1 ZINC000130161008 527560230 /nfs/dbraw/zinc/56/02/30/527560230.db2.gz XNYPTBKYZANQKZ-UHFFFAOYSA-N 1 2 324.833 3.278 20 10 DGCDLO COc1cc(C)ccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273588433 536653437 /nfs/dbraw/zinc/65/34/37/536653437.db2.gz OMPZDZOYLFHYMB-GFCCVEGCSA-N 1 2 316.357 3.468 20 10 DGCDLO COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1F ZINC000273417937 536896970 /nfs/dbraw/zinc/89/69/70/536896970.db2.gz RFQQTNWRSMRKAA-JTQLQIEISA-N 1 2 320.320 3.299 20 10 DGCDLO COC(=O)[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccccc1O ZINC000735494508 574704073 /nfs/dbraw/zinc/70/40/73/574704073.db2.gz ZCVLAMWPIBXJNB-INIZCTEOSA-N 1 2 319.788 3.392 20 10 DGCDLO COC(=O)[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccccc1O ZINC000735494508 574704074 /nfs/dbraw/zinc/70/40/74/574704074.db2.gz ZCVLAMWPIBXJNB-INIZCTEOSA-N 1 2 319.788 3.392 20 10 DGCDLO CCOc1ccc(N(C)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000739927384 574916256 /nfs/dbraw/zinc/91/62/56/574916256.db2.gz XAEREVPJXZMIKR-UHFFFAOYSA-N 1 2 313.323 3.481 20 10 DGCDLO Cn1cc(C(C)(C)[NH2+]Cc2cc(Cl)cc(Cl)c2O)cn1 ZINC000742374392 574993279 /nfs/dbraw/zinc/99/32/79/574993279.db2.gz WJMVTKCWEICVJK-UHFFFAOYSA-N 1 2 314.216 3.457 20 10 DGCDLO CCCCN1C(=O)C2(CCCCC2)[NH2+][C@@H]1c1cc(F)ccc1O ZINC000742443755 575000484 /nfs/dbraw/zinc/00/04/84/575000484.db2.gz OHTORMXTZUYVML-INIZCTEOSA-N 1 2 320.408 3.465 20 10 DGCDLO c1csc(SCCCNc2cc[nH+]c3ccncc23)n1 ZINC000746461131 575454116 /nfs/dbraw/zinc/45/41/16/575454116.db2.gz SEAXBONXXZKZDV-UHFFFAOYSA-N 1 2 302.428 3.103 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCn1cc[nH+]c1 ZINC000749569939 575664920 /nfs/dbraw/zinc/66/49/20/575664920.db2.gz AOEGTTMXYHSRRC-UHFFFAOYSA-N 1 2 322.412 3.029 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccccc1O)c1noc(Cc2ccccc2)n1 ZINC000752265579 575829945 /nfs/dbraw/zinc/82/99/45/575829945.db2.gz JZHZZKAEFSZEPQ-CYBMUJFWSA-N 1 2 309.369 3.217 20 10 DGCDLO COc1ccc([NH+]2CCC(NC(=O)[C@H]3CC=CCC3)CC2)cc1 ZINC000726560830 576030841 /nfs/dbraw/zinc/03/08/41/576030841.db2.gz REOLOEACACGCGG-HNNXBMFYSA-N 1 2 314.429 3.137 20 10 DGCDLO COc1ccc([NH+]2CCC(NC(=O)NCCC(C)C)CC2)cc1 ZINC000726700664 576037081 /nfs/dbraw/zinc/03/70/81/576037081.db2.gz HRWZCMYIBPCORP-UHFFFAOYSA-N 1 2 319.449 3.009 20 10 DGCDLO Cc1cc(CC(=O)OCc2c[nH+]cn2C)c(C)n1-c1ccccc1 ZINC000853108940 620669812 /nfs/dbraw/zinc/66/98/12/620669812.db2.gz KBKYXXXDWNAECU-UHFFFAOYSA-N 1 2 323.396 3.114 20 10 DGCDLO C[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1O ZINC000111236420 620685399 /nfs/dbraw/zinc/68/53/99/620685399.db2.gz FITQZELDWANLCP-UHFFFAOYSA-N 1 2 307.397 3.269 20 10 DGCDLO C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccccc1O ZINC000111236420 620685405 /nfs/dbraw/zinc/68/54/05/620685405.db2.gz FITQZELDWANLCP-UHFFFAOYSA-N 1 2 307.397 3.269 20 10 DGCDLO C[C@@H]1[C@H](C)N(Cc2cc(Cl)cc(Cl)c2O)CC[N@H+]1C ZINC000775985869 618520189 /nfs/dbraw/zinc/52/01/89/618520189.db2.gz PJMCRFVZSWVEIK-ZJUUUORDSA-N 1 2 303.233 3.223 20 10 DGCDLO C[C@@H]1[C@H](C)N(Cc2cc(Cl)cc(Cl)c2O)CC[N@@H+]1C ZINC000775985869 618520190 /nfs/dbraw/zinc/52/01/90/618520190.db2.gz PJMCRFVZSWVEIK-ZJUUUORDSA-N 1 2 303.233 3.223 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)C[C@H](C)[S@]1=O ZINC000840948284 618621001 /nfs/dbraw/zinc/62/10/01/618621001.db2.gz NKFWKVFMQUHATD-XXRNEEKGSA-N 1 2 315.866 3.085 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH+]1CCN(c2cccs2)CC1 ZINC000894058060 618701638 /nfs/dbraw/zinc/70/16/38/618701638.db2.gz QPOQYIYKNXKBBV-UHFFFAOYSA-N 1 2 310.369 3.054 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000895511995 618794135 /nfs/dbraw/zinc/79/41/35/618794135.db2.gz FDQQQYICSWAFTF-KDYLLFBJSA-N 1 2 321.779 3.325 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000898215587 619222374 /nfs/dbraw/zinc/22/23/74/619222374.db2.gz OFOAHAKJRNMTOX-CQSZACIVSA-N 1 2 302.805 3.478 20 10 DGCDLO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]1SC ZINC000898218365 619222574 /nfs/dbraw/zinc/22/25/74/619222574.db2.gz FRVGGUCVOCTVMH-SCRDCRAPSA-N 1 2 301.839 3.044 20 10 DGCDLO CCOc1ccc(O)c(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000898219188 619222691 /nfs/dbraw/zinc/22/26/91/619222691.db2.gz CCITXGJLROODBD-UHFFFAOYSA-N 1 2 307.777 3.440 20 10 DGCDLO CN(C)c1cc(F)c(C[NH2+]Cc2nc3c(s2)CCC3)cc1F ZINC000922470905 621040945 /nfs/dbraw/zinc/04/09/45/621040945.db2.gz BWJOCXSKXQZDDD-UHFFFAOYSA-N 1 2 323.412 3.266 20 10 DGCDLO CCc1cnc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)s1 ZINC000858147510 621158339 /nfs/dbraw/zinc/15/83/39/621158339.db2.gz RWXGIVCQUYPJMH-UHFFFAOYSA-N 1 2 311.401 3.340 20 10 DGCDLO C[C@H](C[N@H+](C)Cc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC000839192537 621347399 /nfs/dbraw/zinc/34/73/99/621347399.db2.gz KAMFJSMJOOAKNZ-LLVKDONJSA-N 1 2 313.825 3.455 20 10 DGCDLO C[C@H](C[N@@H+](C)Cc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC000839192537 621347402 /nfs/dbraw/zinc/34/74/02/621347402.db2.gz KAMFJSMJOOAKNZ-LLVKDONJSA-N 1 2 313.825 3.455 20 10 DGCDLO COCc1cc[nH+]c(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC000862401598 621585596 /nfs/dbraw/zinc/58/55/96/621585596.db2.gz GODQLCPQZLNGFQ-UHFFFAOYSA-N 1 2 307.344 3.184 20 10 DGCDLO Cc1cccc2c1C[C@H]([NH2+]Cc1cccc(Cl)c1O)CO2 ZINC000862441533 621590277 /nfs/dbraw/zinc/59/02/77/621590277.db2.gz VYYJAOKQDNJAJC-ZDUSSCGKSA-N 1 2 303.789 3.447 20 10 DGCDLO COC(=O)c1sccc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000756042179 621611745 /nfs/dbraw/zinc/61/17/45/621611745.db2.gz VBSSBIUQAWGCBK-UHFFFAOYSA-N 1 2 318.442 3.233 20 10 DGCDLO COC(=O)c1sccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000756042179 621611746 /nfs/dbraw/zinc/61/17/46/621611746.db2.gz VBSSBIUQAWGCBK-UHFFFAOYSA-N 1 2 318.442 3.233 20 10 DGCDLO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1O ZINC000756364015 621631609 /nfs/dbraw/zinc/63/16/09/621631609.db2.gz RMDALXRUWLUHKF-SNVBAGLBSA-N 1 2 321.323 3.292 20 10 DGCDLO C[C@@H]([NH2+]CCN(C)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756379929 621632904 /nfs/dbraw/zinc/63/29/04/621632904.db2.gz DMVIXLYWWDZYPG-GFCCVEGCSA-N 1 2 306.356 3.457 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc(F)cc(F)c1O ZINC000756382914 621633365 /nfs/dbraw/zinc/63/33/65/621633365.db2.gz GTARAGMUOIZKLS-RFAUZJTJSA-N 1 2 311.303 3.194 20 10 DGCDLO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc(F)cc(F)c1O ZINC000756382913 621633563 /nfs/dbraw/zinc/63/35/63/621633563.db2.gz GTARAGMUOIZKLS-PSLIRLAXSA-N 1 2 311.303 3.194 20 10 DGCDLO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756488225 621641569 /nfs/dbraw/zinc/64/15/69/621641569.db2.gz MAVWFVFMIUOPOY-SFYZADRCSA-N 1 2 313.266 3.288 20 10 DGCDLO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756605671 621652177 /nfs/dbraw/zinc/65/21/77/621652177.db2.gz ULBZUUQNYVEZAD-OCCSQVGLSA-N 1 2 321.367 3.487 20 10 DGCDLO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756605837 621652385 /nfs/dbraw/zinc/65/23/85/621652385.db2.gz VAHKIWAANGZFDE-BDJLRTHQSA-N 1 2 307.340 3.445 20 10 DGCDLO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756710190 621659566 /nfs/dbraw/zinc/65/95/66/621659566.db2.gz BUXUAQJUSYWULX-ZUZCIYMTSA-N 1 2 323.339 3.063 20 10 DGCDLO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756762747 621662747 /nfs/dbraw/zinc/66/27/47/621662747.db2.gz RAHWXZPBWGQJSC-BDJLRTHQSA-N 1 2 307.340 3.363 20 10 DGCDLO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cc(Br)cc(F)c1O ZINC000756817364 621666744 /nfs/dbraw/zinc/66/67/44/621666744.db2.gz FJYRRJKDZFFNBB-HTQZYQBOSA-N 1 2 320.202 3.104 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCc3c(F)cccc3C2)c1O ZINC000757148682 621690587 /nfs/dbraw/zinc/69/05/87/621690587.db2.gz DPYXDSLAVBTESX-UHFFFAOYSA-N 1 2 317.335 3.431 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCc3c(F)cccc3C2)c1O ZINC000757148682 621690589 /nfs/dbraw/zinc/69/05/89/621690589.db2.gz DPYXDSLAVBTESX-UHFFFAOYSA-N 1 2 317.335 3.431 20 10 DGCDLO CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000864050383 621732374 /nfs/dbraw/zinc/73/23/74/621732374.db2.gz FPSCHOXTGUNKTE-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO CC1([NH+]2CCCC2)CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000864050383 621732376 /nfs/dbraw/zinc/73/23/76/621732376.db2.gz FPSCHOXTGUNKTE-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(F)cc(F)c1O ZINC000757666392 621732426 /nfs/dbraw/zinc/73/24/26/621732426.db2.gz SOWPLMMIBLGXDD-DOMZBBRYSA-N 1 2 321.367 3.315 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000866218643 622068487 /nfs/dbraw/zinc/06/84/87/622068487.db2.gz UXLIISBHLLJVOS-FUHWJXTLSA-N 1 2 300.377 3.314 20 10 DGCDLO C[C@@H](Nc1[nH+]cnc2c1cnn2C(C)(C)C)c1ccccc1O ZINC000866239215 622073618 /nfs/dbraw/zinc/07/36/18/622073618.db2.gz SSKIVBOBMPEFSA-LLVKDONJSA-N 1 2 311.389 3.460 20 10 DGCDLO C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000763613051 622155111 /nfs/dbraw/zinc/15/51/11/622155111.db2.gz JNHMNWZASQGVPY-CYBMUJFWSA-N 1 2 300.805 3.101 20 10 DGCDLO OCC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC2(CCC2)C1 ZINC000789758330 625562198 /nfs/dbraw/zinc/56/21/98/625562198.db2.gz SJCVAHZHEJYFQS-UHFFFAOYSA-N 1 2 313.800 3.217 20 10 DGCDLO Oc1cccc(Cl)c1CN1CC[NH+](Cc2cccs2)CC1 ZINC000768197623 622445061 /nfs/dbraw/zinc/44/50/61/622445061.db2.gz LCLUVYGJSMWZGQ-UHFFFAOYSA-N 1 2 322.861 3.425 20 10 DGCDLO CC[C@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C(F)F ZINC000873129562 623043280 /nfs/dbraw/zinc/04/32/80/623043280.db2.gz RHMLDDXGFADVJG-AWEZNQCLSA-N 1 2 309.360 3.073 20 10 DGCDLO CCN(C)c1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC000773829334 623075915 /nfs/dbraw/zinc/07/59/15/623075915.db2.gz BFPDISWPJZSDTH-QGZVFWFLSA-N 1 2 320.383 3.244 20 10 DGCDLO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775190226 623239939 /nfs/dbraw/zinc/23/99/39/623239939.db2.gz NXQJKPFWKDJBSJ-NSHDSACASA-N 1 2 323.799 3.298 20 10 DGCDLO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775190226 623239942 /nfs/dbraw/zinc/23/99/42/623239942.db2.gz NXQJKPFWKDJBSJ-NSHDSACASA-N 1 2 323.799 3.298 20 10 DGCDLO Cc1cccc(CN2CC[NH+](Cc3cccs3)CC2)c1O ZINC000775644982 623302073 /nfs/dbraw/zinc/30/20/73/623302073.db2.gz ZCBOGLFRKAFPLF-UHFFFAOYSA-N 1 2 302.443 3.080 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)[C@@H](CC)CN1C(C)=O ZINC000775720272 623318586 /nfs/dbraw/zinc/31/85/86/623318586.db2.gz KPMKHXMBXUQURR-GJZGRUSLSA-N 1 2 324.852 3.267 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)[C@@H](CC)CN1C(C)=O ZINC000775720272 623318593 /nfs/dbraw/zinc/31/85/93/623318593.db2.gz KPMKHXMBXUQURR-GJZGRUSLSA-N 1 2 324.852 3.267 20 10 DGCDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000775987672 623361329 /nfs/dbraw/zinc/36/13/29/623361329.db2.gz VZQRUYNTGBPJGI-UWVGGRQHSA-N 1 2 303.233 3.223 20 10 DGCDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000775987672 623361335 /nfs/dbraw/zinc/36/13/35/623361335.db2.gz VZQRUYNTGBPJGI-UWVGGRQHSA-N 1 2 303.233 3.223 20 10 DGCDLO COc1cc(C[NH2+]Cc2cccc(Cl)c2O)cc(OC)c1 ZINC000776022343 623365813 /nfs/dbraw/zinc/36/58/13/623365813.db2.gz BETNCLIHJZZUMF-UHFFFAOYSA-N 1 2 307.777 3.353 20 10 DGCDLO CO[C@]1(C)C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1(C)C ZINC000776220063 623398703 /nfs/dbraw/zinc/39/87/03/623398703.db2.gz JTZKJLUIMBELTR-SWLSCSKDSA-N 1 2 301.789 3.478 20 10 DGCDLO CCOc1cccc(C[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000776256662 623402552 /nfs/dbraw/zinc/40/25/52/623402552.db2.gz FOYLFDPGIJPXAC-OAHLLOKOSA-N 1 2 323.433 3.247 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2ccc(F)c(F)c2O)ccc1O ZINC000876560070 623644464 /nfs/dbraw/zinc/64/44/64/623644464.db2.gz CLNVRRAXLJEACE-UHFFFAOYSA-N 1 2 309.312 3.017 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2ccc(F)c(F)c2O)ccc1O ZINC000876560070 623644466 /nfs/dbraw/zinc/64/44/66/623644466.db2.gz CLNVRRAXLJEACE-UHFFFAOYSA-N 1 2 309.312 3.017 20 10 DGCDLO COc1ccccc1OCC[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876613039 623660460 /nfs/dbraw/zinc/66/04/60/623660460.db2.gz GFHBJBPSXHVLQQ-UHFFFAOYSA-N 1 2 323.339 3.190 20 10 DGCDLO COc1ccccc1OCC[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876613039 623660463 /nfs/dbraw/zinc/66/04/63/623660463.db2.gz GFHBJBPSXHVLQQ-UHFFFAOYSA-N 1 2 323.339 3.190 20 10 DGCDLO Oc1c(F)c(F)ccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000876807429 623711405 /nfs/dbraw/zinc/71/14/05/623711405.db2.gz DHOHSNVILXEOQE-TZMCWYRMSA-N 1 2 323.339 3.352 20 10 DGCDLO Oc1c(F)c(F)ccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000876807429 623711409 /nfs/dbraw/zinc/71/14/09/623711409.db2.gz DHOHSNVILXEOQE-TZMCWYRMSA-N 1 2 323.339 3.352 20 10 DGCDLO Oc1c(C[NH2+]Cc2ccn(C3CCCC3)n2)ccc(F)c1F ZINC000877099386 623791340 /nfs/dbraw/zinc/79/13/40/623791340.db2.gz FJUCMESXMBZVAD-UHFFFAOYSA-N 1 2 307.344 3.272 20 10 DGCDLO COC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1cccc(OC)c1 ZINC000877626201 623968676 /nfs/dbraw/zinc/96/86/76/623968676.db2.gz SAKDYVDTUCYKQW-HNNXBMFYSA-N 1 2 323.339 3.156 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cnc([C@H]3CCCO3)s1)C2 ZINC000877702790 623997492 /nfs/dbraw/zinc/99/74/92/623997492.db2.gz HQMIWXALYCUIPV-OAHLLOKOSA-N 1 2 302.399 3.216 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cnc([C@H]3CCCO3)s1)C2 ZINC000877702790 623997497 /nfs/dbraw/zinc/99/74/97/623997497.db2.gz HQMIWXALYCUIPV-OAHLLOKOSA-N 1 2 302.399 3.216 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cccc(Cl)c1O ZINC000806148757 624073128 /nfs/dbraw/zinc/07/31/28/624073128.db2.gz YAQMGBGJDIKWKY-IDTSFGKNSA-N 1 2 322.836 3.096 20 10 DGCDLO CN(Cc1cc(Cl)cc(F)c1O)CC1([NH+](C)C)CCC1 ZINC000783744380 624390615 /nfs/dbraw/zinc/39/06/15/624390615.db2.gz SOTKWLOIZOUGAU-UHFFFAOYSA-N 1 2 300.805 3.101 20 10 DGCDLO CO[C@H](C)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000785571869 624683450 /nfs/dbraw/zinc/68/34/50/624683450.db2.gz BWQUZEAMCFGEJS-SFYZADRCSA-N 1 2 322.630 3.494 20 10 DGCDLO CCOC(CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O)OCC ZINC000786970771 624968946 /nfs/dbraw/zinc/96/89/46/624968946.db2.gz OKZGTHYBFQDERS-JTQLQIEISA-N 1 2 303.349 3.110 20 10 DGCDLO CN1CCCc2cc(C[NH2+]Cc3cc(F)cc(F)c3O)ccc21 ZINC000882943321 625868738 /nfs/dbraw/zinc/86/87/38/625868738.db2.gz NGNJCWFXVSOBQT-UHFFFAOYSA-N 1 2 318.367 3.343 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000883051198 625910914 /nfs/dbraw/zinc/91/09/14/625910914.db2.gz QQGBOIIEMKXCGZ-UHFFFAOYSA-N 1 2 307.344 3.272 20 10 DGCDLO Cc1ccc(O)c(C[NH2+]Cc2noc(-c3ccccc3C)n2)c1 ZINC000792175424 625920819 /nfs/dbraw/zinc/92/08/19/625920819.db2.gz SNDNBGKKNXBRGP-UHFFFAOYSA-N 1 2 309.369 3.349 20 10 DGCDLO CCCN1CCC[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000796520951 626058445 /nfs/dbraw/zinc/05/84/45/626058445.db2.gz MWUUGPCWGLQSHM-NSHDSACASA-N 1 2 300.805 3.149 20 10 DGCDLO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000799739048 626326891 /nfs/dbraw/zinc/32/68/91/626326891.db2.gz IEVVCGPFGRLDIB-HNNXBMFYSA-N 1 2 323.795 3.268 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)CCS1 ZINC000131378133 626632511 /nfs/dbraw/zinc/63/25/11/626632511.db2.gz DQDPTPINDPWGNN-SECBINFHSA-N 1 2 302.237 3.092 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)CCS1 ZINC000131378133 626632516 /nfs/dbraw/zinc/63/25/16/626632516.db2.gz DQDPTPINDPWGNN-SECBINFHSA-N 1 2 302.237 3.092 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]CC1CCSCC1 ZINC000134608170 626883785 /nfs/dbraw/zinc/88/37/85/626883785.db2.gz DPAMQSUVNBPXNR-UHFFFAOYSA-N 1 2 316.264 3.388 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2cn(C(C)C)nn2)cc1 ZINC000809540892 626917419 /nfs/dbraw/zinc/91/74/19/626917419.db2.gz LUENWKDHGWQDKL-UHFFFAOYSA-N 1 2 315.465 3.337 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2cn(C(C)C)nn2)cc1 ZINC000809540892 626917423 /nfs/dbraw/zinc/91/74/23/626917423.db2.gz LUENWKDHGWQDKL-UHFFFAOYSA-N 1 2 315.465 3.337 20 10 DGCDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2O)n1 ZINC000809719018 626941330 /nfs/dbraw/zinc/94/13/30/626941330.db2.gz USWHGCYNMDCHFG-ZDUSSCGKSA-N 1 2 307.781 3.464 20 10 DGCDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2O)n1 ZINC000809719018 626941332 /nfs/dbraw/zinc/94/13/32/626941332.db2.gz USWHGCYNMDCHFG-ZDUSSCGKSA-N 1 2 307.781 3.464 20 10 DGCDLO CCCC[N@H+](C)C[C@@H](C)NCc1c(O)ccc(Cl)c1F ZINC000810163375 626983184 /nfs/dbraw/zinc/98/31/84/626983184.db2.gz RSISFGRFHRFYOR-LLVKDONJSA-N 1 2 302.821 3.395 20 10 DGCDLO CCCC[N@@H+](C)C[C@@H](C)NCc1c(O)ccc(Cl)c1F ZINC000810163375 626983185 /nfs/dbraw/zinc/98/31/85/626983185.db2.gz RSISFGRFHRFYOR-LLVKDONJSA-N 1 2 302.821 3.395 20 10 DGCDLO CCCCN(C)C[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000810163375 626983190 /nfs/dbraw/zinc/98/31/90/626983190.db2.gz RSISFGRFHRFYOR-LLVKDONJSA-N 1 2 302.821 3.395 20 10 DGCDLO COCc1nc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)cs1 ZINC000810253152 626993234 /nfs/dbraw/zinc/99/32/34/626993234.db2.gz MYWAKVXHVTUVTK-MRVPVSSYSA-N 1 2 314.357 3.124 20 10 DGCDLO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccccc1F ZINC000886631621 627177048 /nfs/dbraw/zinc/17/70/48/627177048.db2.gz RHQGGIYCUAVXMW-WVQJBOLRSA-N 1 2 307.340 3.443 20 10 DGCDLO Oc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)c(F)cc1O)CC2 ZINC000816492552 627796133 /nfs/dbraw/zinc/79/61/33/627796133.db2.gz VQDGYPDABJMIEE-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO Oc1ccc2c(c1)C[N@H+](Cc1cc(Cl)c(F)cc1O)CC2 ZINC000816492552 627796136 /nfs/dbraw/zinc/79/61/36/627796136.db2.gz VQDGYPDABJMIEE-UHFFFAOYSA-N 1 2 307.752 3.449 20 10 DGCDLO CC(C)C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N(C)C ZINC000816534752 627803117 /nfs/dbraw/zinc/80/31/17/627803117.db2.gz SVSOEDYUVJDTFZ-LBPRGKRZSA-N 1 2 302.821 3.251 20 10 DGCDLO COC(=O)[C@@H](C)[N@H+](Cc1cc(Cl)c(F)cc1O)C1CCC1 ZINC000816591235 627812752 /nfs/dbraw/zinc/81/27/52/627812752.db2.gz YEUJZLYLDDEESE-SECBINFHSA-N 1 2 315.772 3.101 20 10 DGCDLO COC(=O)[C@@H](C)[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CCC1 ZINC000816591235 627812756 /nfs/dbraw/zinc/81/27/56/627812756.db2.gz YEUJZLYLDDEESE-SECBINFHSA-N 1 2 315.772 3.101 20 10 DGCDLO C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000816641894 627818253 /nfs/dbraw/zinc/81/82/53/627818253.db2.gz JIORZSLGNVWWKD-MRXNPFEDSA-N 1 2 312.816 3.102 20 10 DGCDLO C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000816641894 627818255 /nfs/dbraw/zinc/81/82/55/627818255.db2.gz JIORZSLGNVWWKD-MRXNPFEDSA-N 1 2 312.816 3.102 20 10 DGCDLO C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000816641894 627818258 /nfs/dbraw/zinc/81/82/58/627818258.db2.gz JIORZSLGNVWWKD-MRXNPFEDSA-N 1 2 312.816 3.102 20 10 DGCDLO C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000816641894 627818259 /nfs/dbraw/zinc/81/82/59/627818259.db2.gz JIORZSLGNVWWKD-MRXNPFEDSA-N 1 2 312.816 3.102 20 10 DGCDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@H+]2CC[C@H]1CCOC1=O ZINC000817299131 627879599 /nfs/dbraw/zinc/87/95/99/627879599.db2.gz VNKPZOOUJICHIT-GOEBONIOSA-N 1 2 317.429 3.283 20 10 DGCDLO COc1ccc2c(c1)C[C@@H](C(C)C)C[N@@H+]2CC[C@H]1CCOC1=O ZINC000817299131 627879601 /nfs/dbraw/zinc/87/96/01/627879601.db2.gz VNKPZOOUJICHIT-GOEBONIOSA-N 1 2 317.429 3.283 20 10 DGCDLO Cc1c(Cl)c(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)nn1C ZINC000817410868 627895104 /nfs/dbraw/zinc/89/51/04/627895104.db2.gz UJWBUPWYYKLHAE-NSHDSACASA-N 1 2 306.841 3.299 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC2(CC[NH2+]2)CC1 ZINC000817864830 627951624 /nfs/dbraw/zinc/95/16/24/627951624.db2.gz DDPYZVDLXFAQNB-UHFFFAOYSA-N 1 2 301.217 3.027 20 10 DGCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000817864830 627951630 /nfs/dbraw/zinc/95/16/30/627951630.db2.gz DDPYZVDLXFAQNB-UHFFFAOYSA-N 1 2 301.217 3.027 20 10 DGCDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)s1 ZINC000818355873 628017709 /nfs/dbraw/zinc/01/77/09/628017709.db2.gz KJRJERYOXDVQRX-BDAKNGLRSA-N 1 2 324.377 3.186 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000824955791 628710817 /nfs/dbraw/zinc/71/08/17/628710817.db2.gz ZFQMYHTZHNFHJH-ZBFHGGJFSA-N 1 2 318.804 3.451 20 10 DGCDLO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000825040829 628719654 /nfs/dbraw/zinc/71/96/54/628719654.db2.gz UTMAHWZNQFJCIJ-YPMHNXCESA-N 1 2 315.772 3.006 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000825085884 628726103 /nfs/dbraw/zinc/72/61/03/628726103.db2.gz OCKMPHFQQUWLMK-CZUORRHYSA-N 1 2 318.804 3.451 20 10 DGCDLO Cc1cccc(C[N@H+](C)Cc2csc(C(C)(C)O)n2)c1O ZINC000825153308 628733816 /nfs/dbraw/zinc/73/38/16/628733816.db2.gz KOYYGHLVRBOYNH-UHFFFAOYSA-N 1 2 306.431 3.017 20 10 DGCDLO Cc1cccc(C[N@@H+](C)Cc2csc(C(C)(C)O)n2)c1O ZINC000825153308 628733817 /nfs/dbraw/zinc/73/38/17/628733817.db2.gz KOYYGHLVRBOYNH-UHFFFAOYSA-N 1 2 306.431 3.017 20 10 DGCDLO CC[C@@]1(C)C[N@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000825634424 628779612 /nfs/dbraw/zinc/77/96/12/628779612.db2.gz NFURHNCILMFTQZ-AWEZNQCLSA-N 1 2 314.223 3.156 20 10 DGCDLO CC[C@@]1(C)C[N@@H+](Cc2ccc(Br)cc2O)CCO1 ZINC000825634424 628779613 /nfs/dbraw/zinc/77/96/13/628779613.db2.gz NFURHNCILMFTQZ-AWEZNQCLSA-N 1 2 314.223 3.156 20 10 DGCDLO COc1ccc(O)c(C[NH2+]CC(F)(F)c2cccc(F)c2)c1 ZINC000826915714 628903544 /nfs/dbraw/zinc/90/35/44/628903544.db2.gz UAZAWDMQZHONQO-UHFFFAOYSA-N 1 2 311.303 3.422 20 10 DGCDLO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000827400558 628955920 /nfs/dbraw/zinc/95/59/20/628955920.db2.gz ATSWJQFHLSVJCU-UHFFFAOYSA-N 1 2 323.799 3.476 20 10 DGCDLO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(Cl)c1O ZINC000827733791 628986383 /nfs/dbraw/zinc/98/63/83/628986383.db2.gz OHOJNGWSMLSTKV-LRDDRELGSA-N 1 2 305.805 3.300 20 10 DGCDLO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000827733920 628986749 /nfs/dbraw/zinc/98/67/49/628986749.db2.gz RAWDONDLZSAAJH-BDJLRTHQSA-N 1 2 323.795 3.439 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000827849363 628996824 /nfs/dbraw/zinc/99/68/24/628996824.db2.gz FKCFAQSSGGIUOV-CALCHBBNSA-N 1 2 307.821 3.438 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000827849363 628996825 /nfs/dbraw/zinc/99/68/25/628996825.db2.gz FKCFAQSSGGIUOV-CALCHBBNSA-N 1 2 307.821 3.438 20 10 DGCDLO C[C@H](O)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000827855695 628997526 /nfs/dbraw/zinc/99/75/26/628997526.db2.gz GRZSBBRLCHGOTH-ZUZCIYMTSA-N 1 2 309.768 3.396 20 10 DGCDLO Cc1cc(C(=O)C[N@H+]2CC=CCC2)c(C)n1-c1ccc(F)cn1 ZINC000828742022 629087457 /nfs/dbraw/zinc/08/74/57/629087457.db2.gz ARZTYVYUQQVWMR-UHFFFAOYSA-N 1 2 313.376 3.073 20 10 DGCDLO Cc1cc(C(=O)C[N@@H+]2CC=CCC2)c(C)n1-c1ccc(F)cn1 ZINC000828742022 629087458 /nfs/dbraw/zinc/08/74/58/629087458.db2.gz ARZTYVYUQQVWMR-UHFFFAOYSA-N 1 2 313.376 3.073 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c1O ZINC000830843580 629311286 /nfs/dbraw/zinc/31/12/86/629311286.db2.gz JSGVWMHEUYETNF-LBPRGKRZSA-N 1 2 321.392 3.267 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c1O ZINC000830843580 629311289 /nfs/dbraw/zinc/31/12/89/629311289.db2.gz JSGVWMHEUYETNF-LBPRGKRZSA-N 1 2 321.392 3.267 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(F)F ZINC000834828154 629784914 /nfs/dbraw/zinc/78/49/14/629784914.db2.gz PUZXCIVTKABKLP-FZMZJTMJSA-N 1 2 316.367 3.357 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000835027975 629828944 /nfs/dbraw/zinc/82/89/44/629828944.db2.gz HUGOUPQXWQQPOO-MEDHRJKHSA-N 1 2 312.413 3.432 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000835027975 629828949 /nfs/dbraw/zinc/82/89/49/629828949.db2.gz HUGOUPQXWQQPOO-MEDHRJKHSA-N 1 2 312.413 3.432 20 10 DGCDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835028169 629829168 /nfs/dbraw/zinc/82/91/68/629829168.db2.gz JMMVZBIKRGXCFF-ZPIQOJFGSA-N 1 2 304.434 3.038 20 10 DGCDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835028169 629829171 /nfs/dbraw/zinc/82/91/71/629829171.db2.gz JMMVZBIKRGXCFF-ZPIQOJFGSA-N 1 2 304.434 3.038 20 10 DGCDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835028167 629829292 /nfs/dbraw/zinc/82/92/92/629829292.db2.gz JMMVZBIKRGXCFF-MVGZEHJDSA-N 1 2 304.434 3.038 20 10 DGCDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835028167 629829294 /nfs/dbraw/zinc/82/92/94/629829294.db2.gz JMMVZBIKRGXCFF-MVGZEHJDSA-N 1 2 304.434 3.038 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000841069287 630404341 /nfs/dbraw/zinc/40/43/41/630404341.db2.gz RXIAQOXHUUEYNW-OAHLLOKOSA-N 1 2 320.795 3.161 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105262 630408612 /nfs/dbraw/zinc/40/86/12/630408612.db2.gz DOYILXSAFCVFAP-CQSZACIVSA-N 1 2 301.217 3.027 20 10 DGCDLO COc1ccc(N(C)CC[N@H+](C)Cc2nccn2C(C)C)cc1 ZINC000844401386 630724866 /nfs/dbraw/zinc/72/48/66/630724866.db2.gz MYFCNAIYOXZPCU-UHFFFAOYSA-N 1 2 316.449 3.041 20 10 DGCDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nccn2C(C)C)cc1 ZINC000844401386 630724867 /nfs/dbraw/zinc/72/48/67/630724867.db2.gz MYFCNAIYOXZPCU-UHFFFAOYSA-N 1 2 316.449 3.041 20 10 DGCDLO CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000848046764 631603495 /nfs/dbraw/zinc/60/34/95/631603495.db2.gz ZHWKVTATWXDUQM-AWEZNQCLSA-N 1 2 315.417 3.123 20 10 DGCDLO CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000848046764 631603499 /nfs/dbraw/zinc/60/34/99/631603499.db2.gz ZHWKVTATWXDUQM-AWEZNQCLSA-N 1 2 315.417 3.123 20 10 DGCDLO CC[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cccc(Cl)c1O ZINC000848574322 631700465 /nfs/dbraw/zinc/70/04/65/631700465.db2.gz RTWRPKBDGUCXDE-FZMZJTMJSA-N 1 2 324.808 3.070 20 10 DGCDLO CCc1cccc(C[N@H+](C)[C@@H](C(=O)OC)c2ccccc2)c1O ZINC000848887263 631772520 /nfs/dbraw/zinc/77/25/20/631772520.db2.gz ROUFASVICCDYAS-QGZVFWFLSA-N 1 2 313.397 3.301 20 10 DGCDLO CCc1cccc(C[N@@H+](C)[C@@H](C(=O)OC)c2ccccc2)c1O ZINC000848887263 631772524 /nfs/dbraw/zinc/77/25/24/631772524.db2.gz ROUFASVICCDYAS-QGZVFWFLSA-N 1 2 313.397 3.301 20 10 DGCDLO C[N@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccccc1O ZINC000072629627 660206926 /nfs/dbraw/zinc/20/69/26/660206926.db2.gz FSMLGKFLGZFGAS-UHFFFAOYSA-N 1 2 323.396 3.192 20 10 DGCDLO C[N@@H+](Cc1nc(CCc2ccccc2)no1)Cc1ccccc1O ZINC000072629627 660206928 /nfs/dbraw/zinc/20/69/28/660206928.db2.gz FSMLGKFLGZFGAS-UHFFFAOYSA-N 1 2 323.396 3.192 20 10 DGCDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2O)CO1 ZINC000708114984 660918146 /nfs/dbraw/zinc/91/81/46/660918146.db2.gz QQQHOMVCAZQMGD-GMSGAONNSA-N 1 2 320.614 3.075 20 10 DGCDLO CC(C)[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000709029839 660923535 /nfs/dbraw/zinc/92/35/35/660923535.db2.gz ORYJBMSINZOKEE-CQSZACIVSA-N 1 2 314.223 3.012 20 10 DGCDLO CC(C)[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000709029839 660923536 /nfs/dbraw/zinc/92/35/36/660923536.db2.gz ORYJBMSINZOKEE-CQSZACIVSA-N 1 2 314.223 3.012 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)CO1 ZINC000792793583 660985123 /nfs/dbraw/zinc/98/51/23/660985123.db2.gz GHQYUBZJEWBFQL-VXGBXAGGSA-N 1 2 316.367 3.381 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C)CO1 ZINC000792793583 660985125 /nfs/dbraw/zinc/98/51/25/660985125.db2.gz GHQYUBZJEWBFQL-VXGBXAGGSA-N 1 2 316.367 3.381 20 10 DGCDLO C[C@H]1OCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H]1C ZINC000792822273 660986462 /nfs/dbraw/zinc/98/64/62/660986462.db2.gz JNLWGFJDSIMINB-VXGBXAGGSA-N 1 2 316.367 3.381 20 10 DGCDLO C[C@H]1OCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@@H]1C ZINC000792822273 660986464 /nfs/dbraw/zinc/98/64/64/660986464.db2.gz JNLWGFJDSIMINB-VXGBXAGGSA-N 1 2 316.367 3.381 20 10 DGCDLO C[C@@H]1OCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H]1C ZINC000792822272 660986491 /nfs/dbraw/zinc/98/64/91/660986491.db2.gz JNLWGFJDSIMINB-RYUDHWBXSA-N 1 2 316.367 3.381 20 10 DGCDLO C[C@@H]1OCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H]1C ZINC000792822272 660986493 /nfs/dbraw/zinc/98/64/93/660986493.db2.gz JNLWGFJDSIMINB-RYUDHWBXSA-N 1 2 316.367 3.381 20 10 DGCDLO CCn1ncnc1C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000794832856 661108417 /nfs/dbraw/zinc/10/84/17/661108417.db2.gz CFXKMTZWDHSHSW-MRVPVSSYSA-N 1 2 315.204 3.161 20 10 DGCDLO Cc1cc(C(=O)NCc2c[nH+]cn2C)c(C)n1-c1ccccc1C ZINC000291314100 655749062 /nfs/dbraw/zinc/74/90/62/655749062.db2.gz UDUCWPCSOCRHRD-UHFFFAOYSA-N 1 2 322.412 3.066 20 10 DGCDLO COCCC(C)(C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715769428 661214796 /nfs/dbraw/zinc/21/47/96/661214796.db2.gz KDJPZTZSDBYZOL-UHFFFAOYSA-N 1 2 320.202 3.199 20 10 DGCDLO CCOCCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715810398 661214913 /nfs/dbraw/zinc/21/49/13/661214913.db2.gz APBJCKDYNBGXGH-UHFFFAOYSA-N 1 2 320.202 3.200 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+]C1(C2CC2)CC1 ZINC000715829153 661214971 /nfs/dbraw/zinc/21/49/71/661214971.db2.gz SJQNTHIKFOXKDA-UHFFFAOYSA-N 1 2 300.171 3.326 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000715805938 661215170 /nfs/dbraw/zinc/21/51/70/661215170.db2.gz NDXGIUPRXLXJDC-QMMMGPOBSA-N 1 2 306.150 3.085 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H](CF)C1 ZINC000715805938 661215172 /nfs/dbraw/zinc/21/51/72/661215172.db2.gz NDXGIUPRXLXJDC-QMMMGPOBSA-N 1 2 306.150 3.085 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]CC[C@H]1CCCCO1 ZINC000227336045 685117942 /nfs/dbraw/zinc/11/79/42/685117942.db2.gz DCGRPERKKMJYLU-GFCCVEGCSA-N 1 2 314.223 3.204 20 10 DGCDLO CCC1([NH2+]Cc2cccc(Br)c2O)CCOCC1 ZINC000389426849 685193351 /nfs/dbraw/zinc/19/33/51/685193351.db2.gz RVYHYANWDOZIIB-UHFFFAOYSA-N 1 2 314.223 3.204 20 10 DGCDLO CCN(C)c1ccc(C[N@H+](C)Cc2csnc2OC)cc1 ZINC001620614363 1192037682 /nfs/dbraw/zinc/03/76/82/1192037682.db2.gz MDBHSAJGLNXLPD-UHFFFAOYSA-N 1 2 305.447 3.240 20 10 DGCDLO CCN(C)c1ccc(C[N@@H+](C)Cc2csnc2OC)cc1 ZINC001620614363 1192037684 /nfs/dbraw/zinc/03/76/84/1192037684.db2.gz MDBHSAJGLNXLPD-UHFFFAOYSA-N 1 2 305.447 3.240 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589952364 1192478816 /nfs/dbraw/zinc/47/88/16/1192478816.db2.gz NNQAIDJNEPMGTL-VHSXEESVSA-N 1 2 315.402 3.046 20 10 DGCDLO Oc1c(F)cc(F)cc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001331527737 1178234412 /nfs/dbraw/zinc/23/44/12/1178234412.db2.gz CXNUFZJTDQIZAU-OAHLLOKOSA-N 1 2 310.388 3.121 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001331527737 1178234417 /nfs/dbraw/zinc/23/44/17/1178234417.db2.gz CXNUFZJTDQIZAU-OAHLLOKOSA-N 1 2 310.388 3.121 20 10 DGCDLO [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001331527737 1178234420 /nfs/dbraw/zinc/23/44/20/1178234420.db2.gz CXNUFZJTDQIZAU-OAHLLOKOSA-N 1 2 310.388 3.121 20 10 DGCDLO OC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC001461258593 1182787819 /nfs/dbraw/zinc/78/78/19/1182787819.db2.gz YYSDAUPSWFTBPX-CYBMUJFWSA-N 1 2 309.768 3.050 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CSCCS1 ZINC001560370905 1189318831 /nfs/dbraw/zinc/31/88/31/1189318831.db2.gz BNIVQIOTHHISHZ-JTQLQIEISA-N 1 2 307.843 3.123 20 10 DGCDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(F)c(F)cc1O ZINC001560790023 1189381164 /nfs/dbraw/zinc/38/11/64/1189381164.db2.gz QMZKBMJGOLLBKV-UHFFFAOYSA-N 1 2 309.360 3.323 20 10 DGCDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(F)c(F)cc1O ZINC001560790023 1189381174 /nfs/dbraw/zinc/38/11/74/1189381174.db2.gz QMZKBMJGOLLBKV-UHFFFAOYSA-N 1 2 309.360 3.323 20 10 DGCDLO Cc1cc(O)c(C[NH+]2CC(O)(c3ccccc3)C2)c(Cl)c1 ZINC001560865789 1189395813 /nfs/dbraw/zinc/39/58/13/1189395813.db2.gz KRZLWDIVFGFCEK-UHFFFAOYSA-N 1 2 303.789 3.057 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC001561006527 1189419853 /nfs/dbraw/zinc/41/98/53/1189419853.db2.gz UDWATOLFISJLNI-BBRMVZONSA-N 1 2 309.287 3.232 20 10 DGCDLO C[C@H](N1CC[NH+](Cc2ccc(Cl)cc2O)CC1)C(F)(F)F ZINC001621132544 1193807629 /nfs/dbraw/zinc/80/76/29/1193807629.db2.gz YRANUOXIBVVRQQ-JTQLQIEISA-N 1 2 322.758 3.114 20 10 DGCDLO C[N@H+](Cc1ccccc1)C1CN(Cc2cccc(Cl)c2O)C1 ZINC001621380144 1193836050 /nfs/dbraw/zinc/83/60/50/1193836050.db2.gz ZARNLISLFGOQAC-UHFFFAOYSA-N 1 2 316.832 3.362 20 10 DGCDLO C[N@@H+](Cc1ccccc1)C1CN(Cc2cccc(Cl)c2O)C1 ZINC001621380144 1193836051 /nfs/dbraw/zinc/83/60/51/1193836051.db2.gz ZARNLISLFGOQAC-UHFFFAOYSA-N 1 2 316.832 3.362 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC001621396549 1193837594 /nfs/dbraw/zinc/83/75/94/1193837594.db2.gz MSGZBXLVQLCBBC-HUUCEWRRSA-N 1 2 320.477 3.312 20 10 DGCDLO CCc1[nH]c(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)c[nH+]1 ZINC001646317553 1195222003 /nfs/dbraw/zinc/22/20/03/1195222003.db2.gz KWMDSSHUJVBNDA-UHFFFAOYSA-N 1 2 322.412 3.310 20 10 DGCDLO CCc1[nH]cc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)[nH+]1 ZINC001646317553 1195222005 /nfs/dbraw/zinc/22/20/05/1195222005.db2.gz KWMDSSHUJVBNDA-UHFFFAOYSA-N 1 2 322.412 3.310 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)c1ccccc1F ZINC001655399606 1195912059 /nfs/dbraw/zinc/91/20/59/1195912059.db2.gz LLIHEHPFUFHEIT-CQSZACIVSA-N 1 2 313.731 3.147 20 10 DGCDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC001657860226 1196187107 /nfs/dbraw/zinc/18/71/07/1196187107.db2.gz NIQLDBJPQURTRI-YGRLFVJLSA-N 1 2 311.809 3.128 20 10 DGCDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC001657860226 1196187103 /nfs/dbraw/zinc/18/71/03/1196187103.db2.gz NIQLDBJPQURTRI-YGRLFVJLSA-N 1 2 311.809 3.128 20 10 DGCDLO C[N@H+](Cc1cnc[nH]1)Cc1ccc(OCc2ccccc2)cc1O ZINC001658533406 1196270564 /nfs/dbraw/zinc/27/05/64/1196270564.db2.gz LMMDOOMGQJBHGR-UHFFFAOYSA-N 1 2 323.396 3.326 20 10 DGCDLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc(OCc2ccccc2)cc1O ZINC001658533406 1196270569 /nfs/dbraw/zinc/27/05/69/1196270569.db2.gz LMMDOOMGQJBHGR-UHFFFAOYSA-N 1 2 323.396 3.326 20 10 DGCDLO C[N@H+](Cc1c[nH]cn1)Cc1ccc(OCc2ccccc2)cc1O ZINC001658533406 1196270574 /nfs/dbraw/zinc/27/05/74/1196270574.db2.gz LMMDOOMGQJBHGR-UHFFFAOYSA-N 1 2 323.396 3.326 20 10 DGCDLO C[N@@H+](Cc1c[nH]cn1)Cc1ccc(OCc2ccccc2)cc1O ZINC001658533406 1196270577 /nfs/dbraw/zinc/27/05/77/1196270577.db2.gz LMMDOOMGQJBHGR-UHFFFAOYSA-N 1 2 323.396 3.326 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cn2cccc(F)c2n1 ZINC001658741183 1196294692 /nfs/dbraw/zinc/29/46/92/1196294692.db2.gz GOTIYRFXKDEWKL-UHFFFAOYSA-N 1 2 305.740 3.122 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001658741510 1196295101 /nfs/dbraw/zinc/29/51/01/1196295101.db2.gz LXEJRCMOVYAYER-UHFFFAOYSA-N 1 2 314.776 3.121 20 10 DGCDLO C[C@]1(c2ccccc2)C[N@H+](Cc2cc(F)cc(F)c2O)CCO1 ZINC001659119608 1196348803 /nfs/dbraw/zinc/34/88/03/1196348803.db2.gz KICBWYKBIYWJMR-GOSISDBHSA-N 1 2 319.351 3.418 20 10 DGCDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2cc(F)cc(F)c2O)CCO1 ZINC001659119608 1196348810 /nfs/dbraw/zinc/34/88/10/1196348810.db2.gz KICBWYKBIYWJMR-GOSISDBHSA-N 1 2 319.351 3.418 20 10 DGCDLO COc1ccc(OCC[N@H+](C)Cc2ccc(F)c(F)c2O)cc1 ZINC001659276603 1196367254 /nfs/dbraw/zinc/36/72/54/1196367254.db2.gz CUFJOECOUFYCFN-UHFFFAOYSA-N 1 2 323.339 3.190 20 10 DGCDLO COc1ccc(OCC[N@@H+](C)Cc2ccc(F)c(F)c2O)cc1 ZINC001659276603 1196367257 /nfs/dbraw/zinc/36/72/57/1196367257.db2.gz CUFJOECOUFYCFN-UHFFFAOYSA-N 1 2 323.339 3.190 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC001662209153 1196695447 /nfs/dbraw/zinc/69/54/47/1196695447.db2.gz ZNWHYHRINVJIPM-UHFFFAOYSA-N 1 2 321.779 3.452 20 10 DGCDLO Oc1ccc(CNc2cc3c4c(c2)CCC[NH+]4CCC3)cc1O ZINC001169994858 1081816622 /nfs/dbraw/zinc/81/66/22/1081816622.db2.gz LDTDKRQECBZALT-UHFFFAOYSA-N 1 2 310.397 3.409 20 10 DGCDLO Oc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001140466118 1082278945 /nfs/dbraw/zinc/27/89/45/1082278945.db2.gz XRHRNCMELMRQSX-MRXNPFEDSA-N 1 2 304.777 3.014 20 10 DGCDLO Oc1cc(Cl)ccc1C[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001140466118 1082278952 /nfs/dbraw/zinc/27/89/52/1082278952.db2.gz XRHRNCMELMRQSX-MRXNPFEDSA-N 1 2 304.777 3.014 20 10 DGCDLO Oc1c(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)ccc(F)c1F ZINC001183363827 1083927224 /nfs/dbraw/zinc/92/72/24/1083927224.db2.gz NRHZPLXDUKMLOF-CQSZACIVSA-N 1 2 323.314 3.463 20 10 DGCDLO Oc1c(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)ccc(F)c1F ZINC001183363827 1083927230 /nfs/dbraw/zinc/92/72/30/1083927230.db2.gz NRHZPLXDUKMLOF-CQSZACIVSA-N 1 2 323.314 3.463 20 10 DGCDLO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1cc(F)cc(F)c1O ZINC001184153998 1084108259 /nfs/dbraw/zinc/10/82/59/1084108259.db2.gz NFVCRSHBIOMPLO-UHFFFAOYSA-N 1 2 315.360 3.224 20 10 DGCDLO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1cc(F)cc(F)c1O ZINC001184153998 1084108265 /nfs/dbraw/zinc/10/82/65/1084108265.db2.gz NFVCRSHBIOMPLO-UHFFFAOYSA-N 1 2 315.360 3.224 20 10 DGCDLO CC(C)N(Cc1cc(Cl)cc(F)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236470864 1089209692 /nfs/dbraw/zinc/20/96/92/1089209692.db2.gz RJNWMBSRFGYTTG-CYBMUJFWSA-N 1 2 300.805 3.147 20 10 DGCDLO CCCc1cc(N2CCCc3cc(O)c(O)cc3C2)nc(C)[nH+]1 ZINC001155945008 1089308472 /nfs/dbraw/zinc/30/84/72/1089308472.db2.gz PBHFNZBXLHLXNO-UHFFFAOYSA-N 1 2 313.401 3.102 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CCC[C@]1(C)O ZINC001237617164 1090314757 /nfs/dbraw/zinc/31/47/57/1090314757.db2.gz LYNSIMVTJVXITO-BMIGLBTASA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CCC[C@]1(C)O ZINC001237617164 1090314762 /nfs/dbraw/zinc/31/47/62/1090314762.db2.gz LYNSIMVTJVXITO-BMIGLBTASA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CCC[C@@]1(C)O ZINC001237617169 1090314778 /nfs/dbraw/zinc/31/47/78/1090314778.db2.gz LYNSIMVTJVXITO-MEBBXXQBSA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CCC[C@@]1(C)O ZINC001237617169 1090314781 /nfs/dbraw/zinc/31/47/81/1090314781.db2.gz LYNSIMVTJVXITO-MEBBXXQBSA-N 1 2 301.789 3.168 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC([NH+]2CCCCC2)C1 ZINC001203582092 1090761349 /nfs/dbraw/zinc/76/13/49/1090761349.db2.gz QCKRAAKTTUNYHZ-UHFFFAOYSA-N 1 2 315.244 3.369 20 10 DGCDLO CCN(CC)c1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1 ZINC001626085053 1091017491 /nfs/dbraw/zinc/01/74/91/1091017491.db2.gz AMAKBTLJKCJHID-UHFFFAOYSA-N 1 2 322.412 3.339 20 10 DGCDLO Cc1ccccc1OCC[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC001205113942 1091105714 /nfs/dbraw/zinc/10/57/14/1091105714.db2.gz BNRUZMGVFXCRHA-UHFFFAOYSA-N 1 2 307.340 3.490 20 10 DGCDLO Cc1ccccc1OCC[N@H+](C)Cc1ccc(F)c(F)c1O ZINC001205113942 1091105723 /nfs/dbraw/zinc/10/57/23/1091105723.db2.gz BNRUZMGVFXCRHA-UHFFFAOYSA-N 1 2 307.340 3.490 20 10 DGCDLO Cc1c(C[N@@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)c2ccccc2n1C ZINC001138258041 1091126584 /nfs/dbraw/zinc/12/65/84/1091126584.db2.gz JDRJIDCQHDLVNG-KNXALSJPSA-N 1 2 324.346 3.391 20 10 DGCDLO Cc1c(C[N@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)c2ccccc2n1C ZINC001138258041 1091126591 /nfs/dbraw/zinc/12/65/91/1091126591.db2.gz JDRJIDCQHDLVNG-KNXALSJPSA-N 1 2 324.346 3.391 20 10 DGCDLO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1c(O)cccc1F ZINC001137837753 1091208501 /nfs/dbraw/zinc/20/85/01/1091208501.db2.gz SZAIAJGOPGGUDC-OAHLLOKOSA-N 1 2 314.404 3.238 20 10 DGCDLO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1c(O)cccc1F ZINC001137837753 1091208510 /nfs/dbraw/zinc/20/85/10/1091208510.db2.gz SZAIAJGOPGGUDC-OAHLLOKOSA-N 1 2 314.404 3.238 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001139124534 1091456402 /nfs/dbraw/zinc/45/64/02/1091456402.db2.gz BTWFWOOMRVRSOP-KGLIPLIRSA-N 1 2 313.397 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001139124534 1091456407 /nfs/dbraw/zinc/45/64/07/1091456407.db2.gz BTWFWOOMRVRSOP-KGLIPLIRSA-N 1 2 313.397 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@](C)(F)C1 ZINC001139127580 1091459494 /nfs/dbraw/zinc/45/94/94/1091459494.db2.gz YCTWUQAVPOGCBM-QGZVFWFLSA-N 1 2 305.349 3.131 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@](C)(F)C1 ZINC001139127580 1091459496 /nfs/dbraw/zinc/45/94/96/1091459496.db2.gz YCTWUQAVPOGCBM-QGZVFWFLSA-N 1 2 305.349 3.131 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001139129213 1091459578 /nfs/dbraw/zinc/45/95/78/1091459578.db2.gz QSYWNRALEXDPQZ-MRXNPFEDSA-N 1 2 321.323 3.038 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001139129213 1091459584 /nfs/dbraw/zinc/45/95/84/1091459584.db2.gz QSYWNRALEXDPQZ-MRXNPFEDSA-N 1 2 321.323 3.038 20 10 DGCDLO Oc1c(F)ccc(F)c1CN1CCC([NH+]2CCCCC2)CC1 ZINC001139685770 1091641382 /nfs/dbraw/zinc/64/13/82/1091641382.db2.gz WOOPQJAXCOBOQF-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO Cc1ccc(C)c(C[N@H+](C)CC(=O)OCc2ccccc2)c1O ZINC001140184635 1091794596 /nfs/dbraw/zinc/79/45/96/1091794596.db2.gz CHNSEDQGDAFGND-UHFFFAOYSA-N 1 2 313.397 3.184 20 10 DGCDLO Cc1ccc(C)c(C[N@@H+](C)CC(=O)OCc2ccccc2)c1O ZINC001140184635 1091794601 /nfs/dbraw/zinc/79/46/01/1091794601.db2.gz CHNSEDQGDAFGND-UHFFFAOYSA-N 1 2 313.397 3.184 20 10 DGCDLO C[N@@H+](Cc1c(O)cc(F)cc1F)C[C@H]1Cc2ccccc2O1 ZINC001140584675 1091920104 /nfs/dbraw/zinc/92/01/04/1091920104.db2.gz AXWBSTXNLPBSCS-CYBMUJFWSA-N 1 2 305.324 3.106 20 10 DGCDLO C[N@H+](Cc1c(O)cc(F)cc1F)C[C@H]1Cc2ccccc2O1 ZINC001140584675 1091920110 /nfs/dbraw/zinc/92/01/10/1091920110.db2.gz AXWBSTXNLPBSCS-CYBMUJFWSA-N 1 2 305.324 3.106 20 10 DGCDLO C[N@@H+]1C[C@]23C[NH+](Cc4cccc(Cl)c4[O-])C[C@@]2(C1)CCCC3 ZINC001207844963 1092118763 /nfs/dbraw/zinc/11/87/63/1092118763.db2.gz UBMMKGMQZVUHJW-HDICACEKSA-N 1 2 320.864 3.353 20 10 DGCDLO C[N@H+]1C[C@]23C[NH+](Cc4cccc(Cl)c4[O-])C[C@@]2(C1)CCCC3 ZINC001207844963 1092118765 /nfs/dbraw/zinc/11/87/65/1092118765.db2.gz UBMMKGMQZVUHJW-HDICACEKSA-N 1 2 320.864 3.353 20 10 DGCDLO C[NH+]1C[C@]23C[N@H+](Cc4cccc(Cl)c4[O-])C[C@@]2(C1)CCCC3 ZINC001207844963 1092118768 /nfs/dbraw/zinc/11/87/68/1092118768.db2.gz UBMMKGMQZVUHJW-HDICACEKSA-N 1 2 320.864 3.353 20 10 DGCDLO C[NH+]1C[C@]23C[N@@H+](Cc4cccc(Cl)c4[O-])C[C@@]2(C1)CCCC3 ZINC001207844963 1092118771 /nfs/dbraw/zinc/11/87/71/1092118771.db2.gz UBMMKGMQZVUHJW-HDICACEKSA-N 1 2 320.864 3.353 20 10 DGCDLO COc1cccc2c1C[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141145330 1092150422 /nfs/dbraw/zinc/15/04/22/1092150422.db2.gz UGKCIBRYIRUYEP-UHFFFAOYSA-N 1 2 310.397 3.040 20 10 DGCDLO COc1cccc2c1C[N@@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141145330 1092150424 /nfs/dbraw/zinc/15/04/24/1092150424.db2.gz UGKCIBRYIRUYEP-UHFFFAOYSA-N 1 2 310.397 3.040 20 10 DGCDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141144055 1092150617 /nfs/dbraw/zinc/15/06/17/1092150617.db2.gz VAVHTMLKVIVQJM-UHFFFAOYSA-N 1 2 310.397 3.040 20 10 DGCDLO COc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)OCCN3C)C2 ZINC001141144055 1092150619 /nfs/dbraw/zinc/15/06/19/1092150619.db2.gz VAVHTMLKVIVQJM-UHFFFAOYSA-N 1 2 310.397 3.040 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222345584 1095565037 /nfs/dbraw/zinc/56/50/37/1095565037.db2.gz LUGFXHVSUORIEK-HNNXBMFYSA-N 1 2 315.244 3.417 20 10 DGCDLO Oc1cccc(F)c1C[NH+]1CCN(c2ccc(F)c(F)c2)CC1 ZINC001137831790 1095755719 /nfs/dbraw/zinc/75/57/19/1095755719.db2.gz NQAWTXHNPOXBMH-UHFFFAOYSA-N 1 2 322.330 3.132 20 10 DGCDLO Cc1cc(C)c(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(O)c1 ZINC001231847732 1097862529 /nfs/dbraw/zinc/86/25/29/1097862529.db2.gz CMWQAZIJLLQOHT-KRWDZBQOSA-N 1 2 324.415 3.314 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001231912578 1097889824 /nfs/dbraw/zinc/88/98/24/1097889824.db2.gz PDJLJARLMZYMAJ-CYBMUJFWSA-N 1 2 303.736 3.046 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001231912578 1097889830 /nfs/dbraw/zinc/88/98/30/1097889830.db2.gz PDJLJARLMZYMAJ-CYBMUJFWSA-N 1 2 303.736 3.046 20 10 DGCDLO Cc1ccc2c(n1)N(C)CC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910507 1097890378 /nfs/dbraw/zinc/89/03/78/1097890378.db2.gz RXKSBXYMGOKIAA-UHFFFAOYSA-N 1 2 317.820 3.201 20 10 DGCDLO Cc1ccc2c(n1)N(C)CC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC001231910507 1097890387 /nfs/dbraw/zinc/89/03/87/1097890387.db2.gz RXKSBXYMGOKIAA-UHFFFAOYSA-N 1 2 317.820 3.201 20 10 DGCDLO CCc1noc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC001231912705 1097890483 /nfs/dbraw/zinc/89/04/83/1097890483.db2.gz SWCVAZPBTAXBJU-GFCCVEGCSA-N 1 2 321.808 3.371 20 10 DGCDLO CCc1noc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC001231912705 1097890491 /nfs/dbraw/zinc/89/04/91/1097890491.db2.gz SWCVAZPBTAXBJU-GFCCVEGCSA-N 1 2 321.808 3.371 20 10 DGCDLO CC[N@H+](Cc1ccccc1O)Cc1c(Cl)nccc1OC ZINC001232154055 1097953154 /nfs/dbraw/zinc/95/31/54/1097953154.db2.gz FSZYIWWEBBZZJI-UHFFFAOYSA-N 1 2 306.793 3.471 20 10 DGCDLO CC[N@@H+](Cc1ccccc1O)Cc1c(Cl)nccc1OC ZINC001232154055 1097953161 /nfs/dbraw/zinc/95/31/61/1097953161.db2.gz FSZYIWWEBBZZJI-UHFFFAOYSA-N 1 2 306.793 3.471 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1ncccc1Br)CC2 ZINC001232165834 1097954866 /nfs/dbraw/zinc/95/48/66/1097954866.db2.gz MRDSVPYNTXGASE-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1ncccc1Br)CC2 ZINC001232165834 1097954873 /nfs/dbraw/zinc/95/48/73/1097954873.db2.gz MRDSVPYNTXGASE-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1cccc2c1CC[N@@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232261013 1097984528 /nfs/dbraw/zinc/98/45/28/1097984528.db2.gz UZGXAVCMXMSHDX-UHFFFAOYSA-N 1 2 305.761 3.015 20 10 DGCDLO Oc1cccc2c1CC[N@H+](Cc1cc(Cl)c(O)cc1O)C2 ZINC001232261013 1097984532 /nfs/dbraw/zinc/98/45/32/1097984532.db2.gz UZGXAVCMXMSHDX-UHFFFAOYSA-N 1 2 305.761 3.015 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2ncccn2)cc1Cl ZINC001232271513 1097988246 /nfs/dbraw/zinc/98/82/46/1097988246.db2.gz VNQKANSVHJNJGU-ZDUSSCGKSA-N 1 2 319.792 3.181 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2ncccn2)cc1Cl ZINC001232271513 1097988252 /nfs/dbraw/zinc/98/82/52/1097988252.db2.gz VNQKANSVHJNJGU-ZDUSSCGKSA-N 1 2 319.792 3.181 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1nc3ccccc3o1)CCC2 ZINC001232558964 1098077807 /nfs/dbraw/zinc/07/78/07/1098077807.db2.gz DZIJAUXHHACXBD-UHFFFAOYSA-N 1 2 310.353 3.187 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1nc3ccccc3o1)CCC2 ZINC001232558964 1098077813 /nfs/dbraw/zinc/07/78/13/1098077813.db2.gz DZIJAUXHHACXBD-UHFFFAOYSA-N 1 2 310.353 3.187 20 10 DGCDLO Cc1cccc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC001233079948 1098220599 /nfs/dbraw/zinc/22/05/99/1098220599.db2.gz OFGTUWMTBWGAQD-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)n1 ZINC001233079948 1098220603 /nfs/dbraw/zinc/22/06/03/1098220603.db2.gz OFGTUWMTBWGAQD-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)c(F)c1O ZINC001233079504 1098220630 /nfs/dbraw/zinc/22/06/30/1098220630.db2.gz DXOKNYWNMJDRFD-UHFFFAOYSA-N 1 2 321.323 3.421 20 10 DGCDLO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)c(F)c1O ZINC001233079504 1098220632 /nfs/dbraw/zinc/22/06/32/1098220632.db2.gz DXOKNYWNMJDRFD-UHFFFAOYSA-N 1 2 321.323 3.421 20 10 DGCDLO Oc1ccc(F)c(F)c1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001233332621 1098291428 /nfs/dbraw/zinc/29/14/28/1098291428.db2.gz RKRBKBSVGHLVEC-UHFFFAOYSA-N 1 2 320.339 3.109 20 10 DGCDLO C[N@H+](CCC(=O)c1ccccc1)Cc1c(O)ccc(F)c1F ZINC001233334993 1098291837 /nfs/dbraw/zinc/29/18/37/1098291837.db2.gz CLCICUGTGGMEMY-UHFFFAOYSA-N 1 2 305.324 3.375 20 10 DGCDLO C[N@@H+](CCC(=O)c1ccccc1)Cc1c(O)ccc(F)c1F ZINC001233334993 1098291843 /nfs/dbraw/zinc/29/18/43/1098291843.db2.gz CLCICUGTGGMEMY-UHFFFAOYSA-N 1 2 305.324 3.375 20 10 DGCDLO Oc1c(C[N@@H+]2CCc3ncccc3C2)cccc1C(F)(F)F ZINC001233418407 1098325775 /nfs/dbraw/zinc/32/57/75/1098325775.db2.gz GCMKSSBOMFQETF-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO Oc1c(C[N@H+]2CCc3ncccc3C2)cccc1C(F)(F)F ZINC001233418407 1098325782 /nfs/dbraw/zinc/32/57/82/1098325782.db2.gz GCMKSSBOMFQETF-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO Oc1c(C[N@@H+]2CCOC[C@H]2C2CC2)cccc1C(F)(F)F ZINC001233419484 1098325901 /nfs/dbraw/zinc/32/59/01/1098325901.db2.gz ZMOIEQLJDVEFQB-ZDUSSCGKSA-N 1 2 301.308 3.022 20 10 DGCDLO Oc1c(C[N@H+]2CCOC[C@H]2C2CC2)cccc1C(F)(F)F ZINC001233419484 1098325907 /nfs/dbraw/zinc/32/59/07/1098325907.db2.gz ZMOIEQLJDVEFQB-ZDUSSCGKSA-N 1 2 301.308 3.022 20 10 DGCDLO Oc1cc(C(F)(F)F)ccc1C[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001233455089 1098340349 /nfs/dbraw/zinc/34/03/49/1098340349.db2.gz VSYWLCYSNLCGKN-UHFFFAOYSA-N 1 2 323.261 3.021 20 10 DGCDLO Nc1cccc2c1CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001236365741 1099556482 /nfs/dbraw/zinc/55/64/82/1099556482.db2.gz UWFFBSIKMMNDIR-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO Nc1cccc2c1CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001236365741 1099556489 /nfs/dbraw/zinc/55/64/89/1099556489.db2.gz UWFFBSIKMMNDIR-UHFFFAOYSA-N 1 2 306.768 3.325 20 10 DGCDLO COc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c(O)c1Cl ZINC001236801385 1099795920 /nfs/dbraw/zinc/79/59/20/1099795920.db2.gz IICHUNVCTYOTGF-RISCZKNCSA-N 1 2 311.809 3.055 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c(O)c1Cl ZINC001236801385 1099795931 /nfs/dbraw/zinc/79/59/31/1099795931.db2.gz IICHUNVCTYOTGF-RISCZKNCSA-N 1 2 311.809 3.055 20 10 DGCDLO COc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(O)c1Cl ZINC001236801386 1099796208 /nfs/dbraw/zinc/79/62/08/1099796208.db2.gz IICHUNVCTYOTGF-SMDDNHRTSA-N 1 2 311.809 3.055 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(O)c1Cl ZINC001236801386 1099796215 /nfs/dbraw/zinc/79/62/15/1099796215.db2.gz IICHUNVCTYOTGF-SMDDNHRTSA-N 1 2 311.809 3.055 20 10 DGCDLO COc1ccc(C[N@H+](C)CCc2cccnc2)c(O)c1Cl ZINC001236812502 1099803976 /nfs/dbraw/zinc/80/39/76/1099803976.db2.gz YBFIZXJAXXMYHD-UHFFFAOYSA-N 1 2 306.793 3.124 20 10 DGCDLO COc1ccc(C[N@@H+](C)CCc2cccnc2)c(O)c1Cl ZINC001236812502 1099803988 /nfs/dbraw/zinc/80/39/88/1099803988.db2.gz YBFIZXJAXXMYHD-UHFFFAOYSA-N 1 2 306.793 3.124 20 10 DGCDLO CC(C)c1ccc(C[N@@H+]2CCOC[C@@H]2c2cccnc2)c(O)c1 ZINC001237056154 1099947452 /nfs/dbraw/zinc/94/74/52/1099947452.db2.gz UMRRUOIGXOFECK-GOSISDBHSA-N 1 2 312.413 3.484 20 10 DGCDLO CC(C)c1ccc(C[N@H+]2CCOC[C@@H]2c2cccnc2)c(O)c1 ZINC001237056154 1099947462 /nfs/dbraw/zinc/94/74/62/1099947462.db2.gz UMRRUOIGXOFECK-GOSISDBHSA-N 1 2 312.413 3.484 20 10 DGCDLO CC(C)c1ccc(C[N@@H+]2CCN(C3CCCC3)C(=O)C2)c(O)c1 ZINC001237054471 1099947882 /nfs/dbraw/zinc/94/78/82/1099947882.db2.gz YZZIEPVPBZHMRG-UHFFFAOYSA-N 1 2 316.445 3.102 20 10 DGCDLO CC(C)c1ccc(C[N@H+]2CCN(C3CCCC3)C(=O)C2)c(O)c1 ZINC001237054471 1099947892 /nfs/dbraw/zinc/94/78/92/1099947892.db2.gz YZZIEPVPBZHMRG-UHFFFAOYSA-N 1 2 316.445 3.102 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H](F)C2)c(Br)c1 ZINC001237058602 1099949595 /nfs/dbraw/zinc/94/95/95/1099949595.db2.gz HDPNBYMSQQNLMO-SECBINFHSA-N 1 2 318.186 3.097 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H](F)C2)c(Br)c1 ZINC001237058602 1099949600 /nfs/dbraw/zinc/94/96/00/1099949600.db2.gz HDPNBYMSQQNLMO-SECBINFHSA-N 1 2 318.186 3.097 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H](F)C2)c(Br)c1 ZINC001237058603 1099951094 /nfs/dbraw/zinc/95/10/94/1099951094.db2.gz HDPNBYMSQQNLMO-VIFPVBQESA-N 1 2 318.186 3.097 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC[C@H](F)C2)c(Br)c1 ZINC001237058603 1099951104 /nfs/dbraw/zinc/95/11/04/1099951104.db2.gz HDPNBYMSQQNLMO-VIFPVBQESA-N 1 2 318.186 3.097 20 10 DGCDLO C[NH+]1CCC2(CN(Cc3c(O)ccc(Cl)c3Cl)C2)CC1 ZINC001237085341 1099963303 /nfs/dbraw/zinc/96/33/03/1099963303.db2.gz YEMPXCGHVLHZJM-UHFFFAOYSA-N 1 2 315.244 3.227 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2O)CCC1=O ZINC001237138808 1099990124 /nfs/dbraw/zinc/99/01/24/1099990124.db2.gz ZAPKXTJEIVTHFQ-SNVBAGLBSA-N 1 2 301.308 3.212 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)CCC1=O ZINC001237138808 1099990134 /nfs/dbraw/zinc/99/01/34/1099990134.db2.gz ZAPKXTJEIVTHFQ-SNVBAGLBSA-N 1 2 301.308 3.212 20 10 DGCDLO CCOCC[NH+](CCOCC)Cc1cc(Cl)cc(F)c1O ZINC001237622234 1100191816 /nfs/dbraw/zinc/19/18/16/1100191816.db2.gz OWQIHIAONSOBRJ-UHFFFAOYSA-N 1 2 319.804 3.060 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[NH+]1CCC2(C[C@@H](F)CO2)CC1 ZINC001237806389 1100254199 /nfs/dbraw/zinc/25/41/99/1100254199.db2.gz VEMORZXLCBYYHC-GFCCVEGCSA-N 1 2 317.763 3.278 20 10 DGCDLO Oc1c(Cl)cc(F)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC001237814988 1100256284 /nfs/dbraw/zinc/25/62/84/1100256284.db2.gz ULGKQVKBRNDHCE-UHFFFAOYSA-N 1 2 312.816 3.245 20 10 DGCDLO C[N@H+](Cc1cnc2ccccn12)Cc1cc(F)c(Cl)cc1O ZINC001237935231 1100296205 /nfs/dbraw/zinc/29/62/05/1100296205.db2.gz SIFUXZVEWDLQES-UHFFFAOYSA-N 1 2 319.767 3.464 20 10 DGCDLO C[N@@H+](Cc1cnc2ccccn12)Cc1cc(F)c(Cl)cc1O ZINC001237935231 1100296213 /nfs/dbraw/zinc/29/62/13/1100296213.db2.gz SIFUXZVEWDLQES-UHFFFAOYSA-N 1 2 319.767 3.464 20 10 DGCDLO Cc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)ncc1Cl ZINC001238424754 1100439916 /nfs/dbraw/zinc/43/99/16/1100439916.db2.gz AOPWOKJAPHALDC-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO Cc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)ncc1Cl ZINC001238424754 1100439917 /nfs/dbraw/zinc/43/99/17/1100439917.db2.gz AOPWOKJAPHALDC-UHFFFAOYSA-N 1 2 318.804 3.403 20 10 DGCDLO CO[C@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001196887132 1101414725 /nfs/dbraw/zinc/41/47/25/1101414725.db2.gz FWACKQCCARECAJ-YGRLFVJLSA-N 1 2 311.809 3.248 20 10 DGCDLO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC001196887132 1101414738 /nfs/dbraw/zinc/41/47/38/1101414738.db2.gz FWACKQCCARECAJ-YGRLFVJLSA-N 1 2 311.809 3.248 20 10 DGCDLO CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cnc(C)s2)n1C ZINC001243377644 1102693294 /nfs/dbraw/zinc/69/32/94/1102693294.db2.gz LNDSFXOLLNKYLA-UHFFFAOYSA-N 1 2 315.398 3.490 20 10 DGCDLO COc1nc(OC)c(-c2[nH+]ccc3c2ccn3C)cc1SC ZINC001245782157 1104234770 /nfs/dbraw/zinc/23/47/70/1104234770.db2.gz PVAZOFIAMMGPMZ-UHFFFAOYSA-N 1 2 315.398 3.374 20 10 DGCDLO CN1CC2(C1)C[NH+](Cc1cc(Cl)c(C(C)(C)C)cc1O)C2 ZINC001248885148 1105186646 /nfs/dbraw/zinc/18/66/46/1105186646.db2.gz LIDDAFPJMZNXMI-UHFFFAOYSA-N 1 2 308.853 3.091 20 10 DGCDLO CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001320640532 1107084273 /nfs/dbraw/zinc/08/42/73/1107084273.db2.gz SJSVFOCVXOSFKO-KBPBESRZSA-N 1 2 300.805 3.147 20 10 DGCDLO COc1ccc(N2CC[NH+](Cc3cc(Cl)ccn3)CC2)cc1 ZINC000387786514 1108469701 /nfs/dbraw/zinc/46/97/01/1108469701.db2.gz JUTLNOSZIXGORO-UHFFFAOYSA-N 1 2 317.820 3.066 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)[C@@H](C)CO1 ZINC000701194741 1108903142 /nfs/dbraw/zinc/90/31/42/1108903142.db2.gz WJGYQVMVLJUBST-GXFFZTMASA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)[C@@H](C)CO1 ZINC000701194741 1108903148 /nfs/dbraw/zinc/90/31/48/1108903148.db2.gz WJGYQVMVLJUBST-GXFFZTMASA-N 1 2 314.223 3.154 20 10 DGCDLO Cc1noc2ncc(C[NH2+]Cc3cccc(Cl)c3O)cc12 ZINC001308548279 1111441842 /nfs/dbraw/zinc/44/18/42/1111441842.db2.gz NUJXXFMNGGPSGC-UHFFFAOYSA-N 1 2 303.749 3.180 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC001308791762 1111475846 /nfs/dbraw/zinc/47/58/46/1111475846.db2.gz HDONVROJVITEHY-HZPDHXFCSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC001308791762 1111475847 /nfs/dbraw/zinc/47/58/47/1111475847.db2.gz HDONVROJVITEHY-HZPDHXFCSA-N 1 2 309.356 3.204 20 10 DGCDLO COC(=O)/C=C/c1ccc(C[NH2+]Cc2cccc(Cl)c2O)o1 ZINC001308974758 1111502849 /nfs/dbraw/zinc/50/28/49/1111502849.db2.gz KQBHAPZSSDWWRD-BQYQJAHWSA-N 1 2 321.760 3.115 20 10 DGCDLO C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184868872 299301866 /nfs/dbraw/zinc/30/18/66/299301866.db2.gz SSMQDKUGRFAPSW-VIFPVBQESA-N 1 2 300.189 3.246 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(F)c(F)c1O ZINC000187752740 299311346 /nfs/dbraw/zinc/31/13/46/299311346.db2.gz XCRRPUDTBBABCZ-DTWKUNHWSA-N 1 2 305.415 3.170 20 10 DGCDLO C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1ccc(F)c(F)c1O ZINC000187804625 299323040 /nfs/dbraw/zinc/32/30/40/299323040.db2.gz GEEJYFPIUNLUDC-BBATYDOGSA-N 1 2 319.351 3.155 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)c1ncnn1C ZINC000276634596 299345382 /nfs/dbraw/zinc/34/53/82/299345382.db2.gz OBZRRQHXPMKTBH-YUMQZZPRSA-N 1 2 315.204 3.239 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000273226120 130098390 /nfs/dbraw/zinc/09/83/90/130098390.db2.gz WEMVXVJUSYPRMX-OAHLLOKOSA-N 1 2 305.805 3.129 20 10 DGCDLO C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273379231 130114844 /nfs/dbraw/zinc/11/48/44/130114844.db2.gz HUJWQENDLBJLKT-VXGBXAGGSA-N 1 2 316.357 3.205 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1cc([N+](=O)[O-])ccc1O ZINC000285724442 131196648 /nfs/dbraw/zinc/19/66/48/131196648.db2.gz QIDGRCZPAVYUMX-BDAKNGLRSA-N 1 2 323.299 3.385 20 10 DGCDLO CC[C@H]([NH2+]CCCc1nc(C)no1)c1cccc(Cl)c1O ZINC000287745059 131297247 /nfs/dbraw/zinc/29/72/47/131297247.db2.gz PVXYSLCFBXXNMP-ZDUSSCGKSA-N 1 2 309.797 3.411 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1O ZINC000287314452 288069897 /nfs/dbraw/zinc/06/98/97/288069897.db2.gz DAZQVOGYGKCYFH-UONOGXRCSA-N 1 2 310.825 3.096 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1F ZINC000125274486 431919767 /nfs/dbraw/zinc/91/97/67/431919767.db2.gz UVRYPFZWZFETTR-MRXNPFEDSA-N 1 2 302.397 3.342 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1F ZINC000125274486 431919769 /nfs/dbraw/zinc/91/97/69/431919769.db2.gz UVRYPFZWZFETTR-MRXNPFEDSA-N 1 2 302.397 3.342 20 10 DGCDLO CN(C)c1ccc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1F ZINC000125274486 431919772 /nfs/dbraw/zinc/91/97/72/431919772.db2.gz UVRYPFZWZFETTR-MRXNPFEDSA-N 1 2 302.397 3.342 20 10 DGCDLO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187716668 432679009 /nfs/dbraw/zinc/67/90/09/432679009.db2.gz WJDQYGZUEIBVEQ-ABAIWWIYSA-N 1 2 307.340 3.363 20 10 DGCDLO CCCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(F)F)c(O)c1 ZINC000289800525 432974339 /nfs/dbraw/zinc/97/43/39/432974339.db2.gz SKYJYHZRBNSZQM-CYBMUJFWSA-N 1 2 315.360 3.037 20 10 DGCDLO CCCOc1ccc(C[N@H+]2CCOC[C@H]2CC(F)F)c(O)c1 ZINC000289800525 432974342 /nfs/dbraw/zinc/97/43/42/432974342.db2.gz SKYJYHZRBNSZQM-CYBMUJFWSA-N 1 2 315.360 3.037 20 10 DGCDLO OC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[C@@H]1C(F)(F)F ZINC000289957457 432981032 /nfs/dbraw/zinc/98/10/32/432981032.db2.gz YYYDQEVZSMEBOI-MNOVXSKESA-N 1 2 323.742 3.038 20 10 DGCDLO OC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[C@@H]1C(F)(F)F ZINC000289957457 432981036 /nfs/dbraw/zinc/98/10/36/432981036.db2.gz YYYDQEVZSMEBOI-MNOVXSKESA-N 1 2 323.742 3.038 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc(F)c(F)c1O ZINC000290165763 433005947 /nfs/dbraw/zinc/00/59/47/433005947.db2.gz DMYMPRKNLQDJCW-QWRGUYRKSA-N 1 2 305.324 3.497 20 10 DGCDLO C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000179634721 289213693 /nfs/dbraw/zinc/21/36/93/289213693.db2.gz BRBFHSPJFJBGFV-SNVBAGLBSA-N 1 2 303.233 3.083 20 10 DGCDLO C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000179634721 289213697 /nfs/dbraw/zinc/21/36/97/289213697.db2.gz BRBFHSPJFJBGFV-SNVBAGLBSA-N 1 2 303.233 3.083 20 10 DGCDLO Cc1cc(O)c(C[NH2+][C@H](C)c2noc(COC(C)C)n2)cc1C ZINC000291035657 433215917 /nfs/dbraw/zinc/21/59/17/433215917.db2.gz YTQHNFWNPILDKB-CYBMUJFWSA-N 1 2 319.405 3.168 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nncn2C(C)C)cc1 ZINC000292786061 433593731 /nfs/dbraw/zinc/59/37/31/433593731.db2.gz LWUUTMGZGAPLJZ-UHFFFAOYSA-N 1 2 315.465 3.337 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nncn2C(C)C)cc1 ZINC000292786061 433593741 /nfs/dbraw/zinc/59/37/41/433593741.db2.gz LWUUTMGZGAPLJZ-UHFFFAOYSA-N 1 2 315.465 3.337 20 10 DGCDLO Cc1nc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)no1 ZINC000375838187 433584804 /nfs/dbraw/zinc/58/48/04/433584804.db2.gz FCQVOXFFZQLVQO-LBPRGKRZSA-N 1 2 307.781 3.117 20 10 DGCDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)no1 ZINC000375838187 433584812 /nfs/dbraw/zinc/58/48/12/433584812.db2.gz FCQVOXFFZQLVQO-LBPRGKRZSA-N 1 2 307.781 3.117 20 10 DGCDLO CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)c1O ZINC000376495651 433756077 /nfs/dbraw/zinc/75/60/77/433756077.db2.gz PSFIDRXKPTUCCK-AWEZNQCLSA-N 1 2 319.792 3.308 20 10 DGCDLO Nc1nc(NCCCSc2nccs2)[nH+]c2ccccc12 ZINC000301788391 433723668 /nfs/dbraw/zinc/72/36/68/433723668.db2.gz QIQBYPTVRBKXTD-UHFFFAOYSA-N 1 2 317.443 3.263 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293560535 433781578 /nfs/dbraw/zinc/78/15/78/433781578.db2.gz GAVDREBGPQNDPS-INIZCTEOSA-N 1 2 307.821 3.437 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293560535 433781583 /nfs/dbraw/zinc/78/15/83/433781583.db2.gz GAVDREBGPQNDPS-INIZCTEOSA-N 1 2 307.821 3.437 20 10 DGCDLO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccc(N(C)C)cc1 ZINC000302463570 433824675 /nfs/dbraw/zinc/82/46/75/433824675.db2.gz VNAXIKJOKSHSOD-LBPRGKRZSA-N 1 2 307.401 3.451 20 10 DGCDLO COC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294847908 434148779 /nfs/dbraw/zinc/14/87/79/434148779.db2.gz URZFAGHRPRRUSN-CYBMUJFWSA-N 1 2 318.442 3.036 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000378517110 434210755 /nfs/dbraw/zinc/21/07/55/434210755.db2.gz JCKWPLAOWBOJJB-KRWDZBQOSA-N 1 2 321.779 3.278 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000378517110 434210761 /nfs/dbraw/zinc/21/07/61/434210761.db2.gz JCKWPLAOWBOJJB-KRWDZBQOSA-N 1 2 321.779 3.278 20 10 DGCDLO CC(C)(CO)[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1cccnc1 ZINC000293748058 335113195 /nfs/dbraw/zinc/11/31/95/335113195.db2.gz WNINRRXVOCMLCG-INIZCTEOSA-N 1 2 320.820 3.290 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187731367 333236754 /nfs/dbraw/zinc/23/67/54/333236754.db2.gz JWSPEMQYXZNBMM-TZMCWYRMSA-N 1 2 321.367 3.487 20 10 DGCDLO CCOc1ccc(O)c(C[NH2+]C2(c3noc(C)n3)CCCC2)c1 ZINC000237068246 521153025 /nfs/dbraw/zinc/15/30/25/521153025.db2.gz BGKHBJUVMLRYCJ-UHFFFAOYSA-N 1 2 317.389 3.041 20 10 DGCDLO CO[C@H](C)c1nc(C[NH2+]Cc2c(O)cccc2Cl)cs1 ZINC000267630887 523915104 /nfs/dbraw/zinc/91/51/04/523915104.db2.gz NUWRAMFAWKBXEQ-SECBINFHSA-N 1 2 312.822 3.499 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+]Cc2cc(COC)on2)cc1F ZINC000298561899 535687034 /nfs/dbraw/zinc/68/70/34/535687034.db2.gz WAZZFFJIKJFFSH-UHFFFAOYSA-N 1 2 321.396 3.096 20 10 DGCDLO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(Cl)cc(Cl)c1O ZINC000287669313 535807882 /nfs/dbraw/zinc/80/78/82/535807882.db2.gz MCVAHGSYARCWAT-QPUJVOFHSA-N 1 2 319.232 3.216 20 10 DGCDLO CCc1cnc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000273624091 536052303 /nfs/dbraw/zinc/05/23/03/536052303.db2.gz ZUZYXTSYMZQSAL-VIFPVBQESA-N 1 2 307.375 3.170 20 10 DGCDLO CCN1C(=O)/C(=C/c2c[nH+]c3ccc(Cl)cn23)SC1=S ZINC000737444721 574843901 /nfs/dbraw/zinc/84/39/01/574843901.db2.gz SPBKYEPUGXBZGA-YHYXMXQVSA-N 1 2 323.830 3.209 20 10 DGCDLO COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000742368990 574993004 /nfs/dbraw/zinc/99/30/04/574993004.db2.gz TVIRXBDLRKMREA-UHFFFAOYSA-N 1 2 322.748 3.252 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC(C)(C)OCC2(C)C)c1O ZINC000750819971 575754151 /nfs/dbraw/zinc/75/41/51/575754151.db2.gz LGYHGQUZFMYPAM-UHFFFAOYSA-N 1 2 309.381 3.123 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC(C)(C)OCC2(C)C)c1O ZINC000750819971 575754152 /nfs/dbraw/zinc/75/41/52/575754152.db2.gz LGYHGQUZFMYPAM-UHFFFAOYSA-N 1 2 309.381 3.123 20 10 DGCDLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)o1 ZINC000725847308 575929251 /nfs/dbraw/zinc/92/92/51/575929251.db2.gz ZQHVJGXOARJMGG-IINYFYTJSA-N 1 2 302.330 3.307 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000894885370 618488064 /nfs/dbraw/zinc/48/80/64/618488064.db2.gz BPDXNFGRTRKGGN-FVQBIDKESA-N 1 2 311.372 3.186 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000894885370 618488067 /nfs/dbraw/zinc/48/80/67/618488067.db2.gz BPDXNFGRTRKGGN-FVQBIDKESA-N 1 2 311.372 3.186 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840958112 618634406 /nfs/dbraw/zinc/63/44/06/618634406.db2.gz NOCJKOSOCYOZGS-HOCLYGCPSA-N 1 2 303.789 3.354 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840958112 618634409 /nfs/dbraw/zinc/63/44/09/618634409.db2.gz NOCJKOSOCYOZGS-HOCLYGCPSA-N 1 2 303.789 3.354 20 10 DGCDLO C[C@H](O)CC[N@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000894033269 618696013 /nfs/dbraw/zinc/69/60/13/618696013.db2.gz FNFAXPLJQFYJKD-QMMMGPOBSA-N 1 2 322.630 3.011 20 10 DGCDLO C[C@H](O)CC[N@@H+](C)Cc1cc(Cl)cc(Br)c1O ZINC000894033269 618696014 /nfs/dbraw/zinc/69/60/14/618696014.db2.gz FNFAXPLJQFYJKD-QMMMGPOBSA-N 1 2 322.630 3.011 20 10 DGCDLO CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H]1CCCOC1 ZINC000895661350 618813899 /nfs/dbraw/zinc/81/38/99/618813899.db2.gz ABKAPFGPFANIIG-YGRLFVJLSA-N 1 2 301.789 3.480 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000895867243 618844368 /nfs/dbraw/zinc/84/43/68/618844368.db2.gz BTXYHAMYEIVFKC-UHFFFAOYSA-N 1 2 313.800 3.360 20 10 DGCDLO Oc1cc2c(cc1C[NH2+]CC(F)(F)c1ccccc1)OCO2 ZINC000788970738 625308158 /nfs/dbraw/zinc/30/81/58/625308158.db2.gz VKYKPUVOPGXOFR-UHFFFAOYSA-N 1 2 307.296 3.003 20 10 DGCDLO Cn1nc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1C1CC1 ZINC000897231415 619033263 /nfs/dbraw/zinc/03/32/63/619033263.db2.gz DSDKONHYRBXWES-UHFFFAOYSA-N 1 2 309.772 3.085 20 10 DGCDLO CCn1c[nH+]c2c1CCN(Cc1c(O)cc(C)cc1Cl)C2 ZINC000897333755 619061215 /nfs/dbraw/zinc/06/12/15/619061215.db2.gz NGIZVGFJFUXDIS-UHFFFAOYSA-N 1 2 305.809 3.129 20 10 DGCDLO C[C@@]1(Br)C[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000898215798 619222249 /nfs/dbraw/zinc/22/22/49/619222249.db2.gz QYAKPMISRWYEOD-JOYOIKCWSA-N 1 2 304.615 3.309 20 10 DGCDLO Cc1cc(O)c(C[NH2+]CCCNCc2cccnc2)c(Cl)c1 ZINC000841042098 619243806 /nfs/dbraw/zinc/24/38/06/619243806.db2.gz KWEFKUNQWZOUGH-UHFFFAOYSA-N 1 2 319.836 3.019 20 10 DGCDLO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000898484590 619278913 /nfs/dbraw/zinc/27/89/13/619278913.db2.gz VULPXNAKANTXFL-KOLCDFICSA-N 1 2 315.772 3.006 20 10 DGCDLO Oc1c(Br)cccc1C[NH+]1CC2(CC(F)C2)C1 ZINC000839139754 621340419 /nfs/dbraw/zinc/34/04/19/621340419.db2.gz KYBDQFGACOUYEZ-UHFFFAOYSA-N 1 2 300.171 3.089 20 10 DGCDLO CN(C)c1ccc(C[NH+]2CC(C(F)F)C2)c(C(F)(F)F)c1 ZINC000839140949 621340574 /nfs/dbraw/zinc/34/05/74/621340574.db2.gz KWKUMNVXZUMESS-UHFFFAOYSA-N 1 2 308.294 3.468 20 10 DGCDLO COC(=O)C[N@H+](Cc1ccccc1)Cc1cc(C)cc(C)c1O ZINC000754723423 621527921 /nfs/dbraw/zinc/52/79/21/621527921.db2.gz SANMRGPWOFNRSB-UHFFFAOYSA-N 1 2 313.397 3.184 20 10 DGCDLO COC(=O)C[N@@H+](Cc1ccccc1)Cc1cc(C)cc(C)c1O ZINC000754723423 621527924 /nfs/dbraw/zinc/52/79/24/621527924.db2.gz SANMRGPWOFNRSB-UHFFFAOYSA-N 1 2 313.397 3.184 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)[C@@H](C)[C@H](C)O1 ZINC000862337553 621575597 /nfs/dbraw/zinc/57/55/97/621575597.db2.gz WYVPKAQWTFZCIK-VWYCJHECSA-N 1 2 314.223 3.152 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)[C@@H](C)[C@H](C)O1 ZINC000862337553 621575599 /nfs/dbraw/zinc/57/55/99/621575599.db2.gz WYVPKAQWTFZCIK-VWYCJHECSA-N 1 2 314.223 3.152 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)cc1F ZINC000862530537 621597533 /nfs/dbraw/zinc/59/75/33/621597533.db2.gz OEIYHXMXFVFLAH-HNNXBMFYSA-N 1 2 312.404 3.232 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](CCF)C2)cc1F ZINC000862530537 621597536 /nfs/dbraw/zinc/59/75/36/621597536.db2.gz OEIYHXMXFVFLAH-HNNXBMFYSA-N 1 2 312.404 3.232 20 10 DGCDLO COC(=O)[C@@H](CC1CCCCC1)[NH2+]Cc1cc(C)ccc1O ZINC000756147499 621618822 /nfs/dbraw/zinc/61/88/22/621618822.db2.gz RXIKOMXRSYJWOK-MRXNPFEDSA-N 1 2 305.418 3.302 20 10 DGCDLO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000756455523 621639501 /nfs/dbraw/zinc/63/95/01/621639501.db2.gz DDOVFEVWZVTKGB-JSGCOSHPSA-N 1 2 321.367 3.172 20 10 DGCDLO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756488221 621641705 /nfs/dbraw/zinc/64/17/05/621641705.db2.gz MAVWFVFMIUOPOY-HTQZYQBOSA-N 1 2 313.266 3.288 20 10 DGCDLO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756615984 621653137 /nfs/dbraw/zinc/65/31/37/621653137.db2.gz YABBQIFONDJEIR-ZJUUUORDSA-N 1 2 323.387 3.303 20 10 DGCDLO Cc1cccc(NCC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)n1 ZINC000756744916 621662440 /nfs/dbraw/zinc/66/24/40/621662440.db2.gz DPYDEROKZZCACE-NSHDSACASA-N 1 2 307.344 3.137 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@H](O)Cc1ccccc1 ZINC000756757925 621662672 /nfs/dbraw/zinc/66/26/72/621662672.db2.gz DAGZSCJAORNDQK-XWCIJXRUSA-N 1 2 321.367 3.313 20 10 DGCDLO C[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cc(F)cc(F)c1O ZINC000756771332 621663515 /nfs/dbraw/zinc/66/35/15/621663515.db2.gz VKXKXBDQAWILPS-BBATYDOGSA-N 1 2 319.351 3.155 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(F)cc(F)c1O ZINC000756787782 621664784 /nfs/dbraw/zinc/66/47/84/621664784.db2.gz RTODRVPFEFIGSK-PWSUYJOCSA-N 1 2 313.344 3.007 20 10 DGCDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)[nH]2)c1 ZINC000756867126 621669046 /nfs/dbraw/zinc/66/90/46/621669046.db2.gz GJORAXTXCZSHCO-GFCCVEGCSA-N 1 2 324.384 3.037 20 10 DGCDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(-c3ccccc3)n[nH]2)c1 ZINC000756867126 621669047 /nfs/dbraw/zinc/66/90/47/621669047.db2.gz GJORAXTXCZSHCO-GFCCVEGCSA-N 1 2 324.384 3.037 20 10 DGCDLO C[N@H+](CCCc1nc(-c2cccs2)no1)c1ccc(N)cc1 ZINC000863557382 621683606 /nfs/dbraw/zinc/68/36/06/621683606.db2.gz NRRYWRXOHSOJNF-UHFFFAOYSA-N 1 2 314.414 3.449 20 10 DGCDLO C[N@@H+](CCCc1nc(-c2cccs2)no1)c1ccc(N)cc1 ZINC000863557382 621683607 /nfs/dbraw/zinc/68/36/07/621683607.db2.gz NRRYWRXOHSOJNF-UHFFFAOYSA-N 1 2 314.414 3.449 20 10 DGCDLO C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cc(F)cc(F)c1O ZINC000757666398 621732497 /nfs/dbraw/zinc/73/24/97/621732497.db2.gz SOWPLMMIBLGXDD-WFASDCNBSA-N 1 2 321.367 3.315 20 10 DGCDLO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000757865410 621743858 /nfs/dbraw/zinc/74/38/58/621743858.db2.gz GBWWKERSEQOXHU-TZMCWYRMSA-N 1 2 315.816 3.414 20 10 DGCDLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000757865410 621743860 /nfs/dbraw/zinc/74/38/60/621743860.db2.gz GBWWKERSEQOXHU-TZMCWYRMSA-N 1 2 315.816 3.414 20 10 DGCDLO Cc1cnc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)nc1 ZINC000760807589 621966240 /nfs/dbraw/zinc/96/62/40/621966240.db2.gz FQIHGNGFAZZDIF-UHFFFAOYSA-N 1 2 310.445 3.407 20 10 DGCDLO Cc1cnc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)nc1 ZINC000760807589 621966243 /nfs/dbraw/zinc/96/62/43/621966243.db2.gz FQIHGNGFAZZDIF-UHFFFAOYSA-N 1 2 310.445 3.407 20 10 DGCDLO COc1cccc(O)c1C[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000768918523 622485283 /nfs/dbraw/zinc/48/52/83/622485283.db2.gz KNOUUAHOSKTIDT-UHFFFAOYSA-N 1 2 323.396 3.219 20 10 DGCDLO COc1cccc(O)c1C[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000768918523 622485284 /nfs/dbraw/zinc/48/52/84/622485284.db2.gz KNOUUAHOSKTIDT-UHFFFAOYSA-N 1 2 323.396 3.219 20 10 DGCDLO CC[C@@H]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)C(F)F ZINC000873129563 623042815 /nfs/dbraw/zinc/04/28/15/623042815.db2.gz RHMLDDXGFADVJG-CQSZACIVSA-N 1 2 309.360 3.073 20 10 DGCDLO Nc1ccc2c(c1)OCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC000873219864 623078382 /nfs/dbraw/zinc/07/83/82/623078382.db2.gz PKCHEDCLBAHUAW-UHFFFAOYSA-N 1 2 304.777 3.022 20 10 DGCDLO Nc1ccc2c(c1)OCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC000873219864 623078385 /nfs/dbraw/zinc/07/83/85/623078385.db2.gz PKCHEDCLBAHUAW-UHFFFAOYSA-N 1 2 304.777 3.022 20 10 DGCDLO CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775178302 623238579 /nfs/dbraw/zinc/23/85/79/623238579.db2.gz VQYAOSRAWIIMBF-OAHLLOKOSA-N 1 2 301.789 3.312 20 10 DGCDLO CCC[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775178302 623238582 /nfs/dbraw/zinc/23/85/82/623238582.db2.gz VQYAOSRAWIIMBF-OAHLLOKOSA-N 1 2 301.789 3.312 20 10 DGCDLO C[N@@H+]1CCN(Cc2cccc(Cl)c2O)C2(CCCCC2)C1 ZINC000775735813 623322068 /nfs/dbraw/zinc/32/20/68/623322068.db2.gz YJDYCQHUMZWPEA-UHFFFAOYSA-N 1 2 308.853 3.496 20 10 DGCDLO C[N@H+]1CCN(Cc2cccc(Cl)c2O)C2(CCCCC2)C1 ZINC000775735813 623322074 /nfs/dbraw/zinc/32/20/74/623322074.db2.gz YJDYCQHUMZWPEA-UHFFFAOYSA-N 1 2 308.853 3.496 20 10 DGCDLO Cc1ccccc1-c1nc(C[NH2+]Cc2cc(F)ccc2O)no1 ZINC000776266878 623404110 /nfs/dbraw/zinc/40/41/10/623404110.db2.gz WYFWUGVNEKAJEZ-UHFFFAOYSA-N 1 2 313.332 3.180 20 10 DGCDLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(F)c(F)c2O)o1 ZINC000877043926 623774342 /nfs/dbraw/zinc/77/43/42/623774342.db2.gz SMROGNIQZNGBJV-CYBMUJFWSA-N 1 2 311.328 3.303 20 10 DGCDLO Cc1c[nH+]c(C)c(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000877610136 623961024 /nfs/dbraw/zinc/96/10/24/623961024.db2.gz MEOPQJJCJLTHGQ-UHFFFAOYSA-N 1 2 311.429 3.272 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000877709473 624000769 /nfs/dbraw/zinc/00/07/69/624000769.db2.gz ACVJSGXYCKQKLH-IAQYHMDHSA-N 1 2 313.800 3.480 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000877709475 624001030 /nfs/dbraw/zinc/00/10/30/624001030.db2.gz ACVJSGXYCKQKLH-XHDPSFHLSA-N 1 2 313.800 3.480 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000877778660 624033759 /nfs/dbraw/zinc/03/37/59/624033759.db2.gz QCACLSHIAVLRHO-CQSZACIVSA-N 1 2 301.789 3.216 20 10 DGCDLO CCOC(=O)[C@H](C)[N@H+](Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000787439305 625011020 /nfs/dbraw/zinc/01/10/20/625011020.db2.gz CRSGYOXVEONEFR-NSHDSACASA-N 1 2 311.809 3.270 20 10 DGCDLO CCOC(=O)[C@H](C)[N@@H+](Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000787439305 625011025 /nfs/dbraw/zinc/01/10/25/625011025.db2.gz CRSGYOXVEONEFR-NSHDSACASA-N 1 2 311.809 3.270 20 10 DGCDLO C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790956132 625722065 /nfs/dbraw/zinc/72/20/65/625722065.db2.gz OHDKYFPGSCJGMT-NWDGAFQWSA-N 1 2 314.832 3.395 20 10 DGCDLO CC[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cccc(Cl)c1O ZINC000806178944 626704758 /nfs/dbraw/zinc/70/47/58/626704758.db2.gz MEMXDYBZDIQUKW-BBRMVZONSA-N 1 2 320.820 3.257 20 10 DGCDLO Oc1cc2c(cc1C[N@@H+]1Cc3cccc(Cl)c3C1)OCO2 ZINC000808202673 626805349 /nfs/dbraw/zinc/80/53/49/626805349.db2.gz OGHVEJMFKFLSDJ-UHFFFAOYSA-N 1 2 303.745 3.290 20 10 DGCDLO Oc1cc2c(cc1C[N@H+]1Cc3cccc(Cl)c3C1)OCO2 ZINC000808202673 626805352 /nfs/dbraw/zinc/80/53/52/626805352.db2.gz OGHVEJMFKFLSDJ-UHFFFAOYSA-N 1 2 303.745 3.290 20 10 DGCDLO CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000808732917 626856514 /nfs/dbraw/zinc/85/65/14/626856514.db2.gz PAXWTPNVXVMLJS-RYUDHWBXSA-N 1 2 300.393 3.441 20 10 DGCDLO COC(=O)c1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000809730631 626942646 /nfs/dbraw/zinc/94/26/46/626942646.db2.gz WIEUYZMFPUKDRO-UHFFFAOYSA-N 1 2 305.761 3.122 20 10 DGCDLO CCC[N@H+](CC)C[C@H](C)NCc1c(O)ccc(Cl)c1F ZINC000810181166 626984913 /nfs/dbraw/zinc/98/49/13/626984913.db2.gz VXFADYVACJCVNO-NSHDSACASA-N 1 2 302.821 3.395 20 10 DGCDLO CCC[N@@H+](CC)C[C@H](C)NCc1c(O)ccc(Cl)c1F ZINC000810181166 626984915 /nfs/dbraw/zinc/98/49/15/626984915.db2.gz VXFADYVACJCVNO-NSHDSACASA-N 1 2 302.821 3.395 20 10 DGCDLO CCC[N@H+](CC)C[C@@H](C)NCc1c(O)ccc(Cl)c1F ZINC000810180363 626985026 /nfs/dbraw/zinc/98/50/26/626985026.db2.gz VXFADYVACJCVNO-LLVKDONJSA-N 1 2 302.821 3.395 20 10 DGCDLO CCC[N@@H+](CC)C[C@@H](C)NCc1c(O)ccc(Cl)c1F ZINC000810180363 626985028 /nfs/dbraw/zinc/98/50/28/626985028.db2.gz VXFADYVACJCVNO-LLVKDONJSA-N 1 2 302.821 3.395 20 10 DGCDLO CCCCN(C)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000811511816 627285223 /nfs/dbraw/zinc/28/52/23/627285223.db2.gz VHRIZHJJAVZAAF-LLVKDONJSA-N 1 2 302.821 3.395 20 10 DGCDLO C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CCCCC1 ZINC000816536736 627804360 /nfs/dbraw/zinc/80/43/60/627804360.db2.gz IKANQNSZTCIBPJ-LLVKDONJSA-N 1 2 300.805 3.149 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000816603320 627813025 /nfs/dbraw/zinc/81/30/25/627813025.db2.gz FOIVQUWXVUFHTA-UHFFFAOYSA-N 1 2 319.767 3.393 20 10 DGCDLO C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000816641893 627818212 /nfs/dbraw/zinc/81/82/12/627818212.db2.gz JIORZSLGNVWWKD-INIZCTEOSA-N 1 2 312.816 3.102 20 10 DGCDLO C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000816641893 627818215 /nfs/dbraw/zinc/81/82/15/627818215.db2.gz JIORZSLGNVWWKD-INIZCTEOSA-N 1 2 312.816 3.102 20 10 DGCDLO C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000816641893 627818217 /nfs/dbraw/zinc/81/82/17/627818217.db2.gz JIORZSLGNVWWKD-INIZCTEOSA-N 1 2 312.816 3.102 20 10 DGCDLO C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC000816641893 627818220 /nfs/dbraw/zinc/81/82/20/627818220.db2.gz JIORZSLGNVWWKD-INIZCTEOSA-N 1 2 312.816 3.102 20 10 DGCDLO CC(C)[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CCCO1 ZINC000816674775 627823832 /nfs/dbraw/zinc/82/38/32/627823832.db2.gz KKFSXZACHZVAKV-AWEZNQCLSA-N 1 2 301.789 3.432 20 10 DGCDLO CC(C)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CCCO1 ZINC000816674775 627823834 /nfs/dbraw/zinc/82/38/34/627823834.db2.gz KKFSXZACHZVAKV-AWEZNQCLSA-N 1 2 301.789 3.432 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000824955787 628710781 /nfs/dbraw/zinc/71/07/81/628710781.db2.gz ZFQMYHTZHNFHJH-GOEBONIOSA-N 1 2 318.804 3.451 20 10 DGCDLO C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)c2nccn21 ZINC000825017677 628716652 /nfs/dbraw/zinc/71/66/52/628716652.db2.gz XDBWVJZTRWCUSP-CABZTGNLSA-N 1 2 322.206 3.147 20 10 DGCDLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C[C@H]1F ZINC000825440809 628761856 /nfs/dbraw/zinc/76/18/56/628761856.db2.gz LDOORQMCGDKLGI-BXKDBHETSA-N 1 2 302.187 3.335 20 10 DGCDLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C[C@H]1F ZINC000825440809 628761860 /nfs/dbraw/zinc/76/18/60/628761860.db2.gz LDOORQMCGDKLGI-BXKDBHETSA-N 1 2 302.187 3.335 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000827179449 628932892 /nfs/dbraw/zinc/93/28/92/628932892.db2.gz YBDBPZDNHSJUPS-HUUCEWRRSA-N 1 2 307.752 3.453 20 10 DGCDLO CC(C)[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)OC(C)(C)C ZINC000834733537 629768994 /nfs/dbraw/zinc/76/89/94/629768994.db2.gz NBORWRAPCCCXNB-BBRMVZONSA-N 1 2 305.418 3.335 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@H+](C)Cc2nccn2C(F)F)cc1 ZINC000835025312 629827322 /nfs/dbraw/zinc/82/73/22/629827322.db2.gz HTCUVASNFQEULR-SNAWJCMRSA-N 1 2 320.387 3.489 20 10 DGCDLO CN(C)c1ccc(/C=C/C[N@@H+](C)Cc2nccn2C(F)F)cc1 ZINC000835025312 629827324 /nfs/dbraw/zinc/82/73/24/629827324.db2.gz HTCUVASNFQEULR-SNAWJCMRSA-N 1 2 320.387 3.489 20 10 DGCDLO Cc1ccc(C[C@H](CO)[NH2+]Cc2cccc(Cl)c2O)cc1C ZINC000835072183 629844061 /nfs/dbraw/zinc/84/40/61/629844061.db2.gz CGLPNTUOXIPPRI-MRXNPFEDSA-N 1 2 319.832 3.356 20 10 DGCDLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(N(C)C)cc2C)no1 ZINC000840912039 630376234 /nfs/dbraw/zinc/37/62/34/630376234.db2.gz YXLYOJQYQJGMLY-KRWDZBQOSA-N 1 2 314.433 3.480 20 10 DGCDLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(N(C)C)cc2C)no1 ZINC000840912039 630376235 /nfs/dbraw/zinc/37/62/35/630376235.db2.gz YXLYOJQYQJGMLY-KRWDZBQOSA-N 1 2 314.433 3.480 20 10 DGCDLO C[NH+](C)Cc1ccc(NCc2cc([N+](=O)[O-])ccc2O)c(F)c1 ZINC000840957907 630384773 /nfs/dbraw/zinc/38/47/73/630384773.db2.gz LXKMSYHWEMKEAZ-UHFFFAOYSA-N 1 2 319.336 3.113 20 10 DGCDLO OC[C@@H](C[NH2+]Cc1cccc(Cl)c1O)c1ccc(F)cc1 ZINC000840964259 630387543 /nfs/dbraw/zinc/38/75/43/630387543.db2.gz VOGOVTHXRGRKBI-CYBMUJFWSA-N 1 2 309.768 3.050 20 10 DGCDLO C[C@@H]([NH2+]Cc1cccc(Br)c1O)[C@H]1CC1(F)F ZINC000840967878 630388373 /nfs/dbraw/zinc/38/83/73/630388373.db2.gz KNGVXQUYWXSXBA-VXNVDRBHSA-N 1 2 306.150 3.288 20 10 DGCDLO CCn1c[nH+]cc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000841873767 630472452 /nfs/dbraw/zinc/47/24/52/630472452.db2.gz HUAYPOBUZSTLFT-UHFFFAOYSA-N 1 2 307.344 3.457 20 10 DGCDLO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Br)cc(F)c1O ZINC000842928903 630594292 /nfs/dbraw/zinc/59/42/92/630594292.db2.gz KYZDMPUVNATART-NQMVMOMDSA-N 1 2 318.186 3.122 20 10 DGCDLO CC[N@H+](C)[C@H](c1nc(Cc2ccc(N)cc2)no1)c1ccccc1 ZINC000843161472 630623952 /nfs/dbraw/zinc/62/39/52/630623952.db2.gz VEDPSLCTQSJDTQ-SFHVURJKSA-N 1 2 322.412 3.284 20 10 DGCDLO CC[N@@H+](C)[C@H](c1nc(Cc2ccc(N)cc2)no1)c1ccccc1 ZINC000843161472 630623956 /nfs/dbraw/zinc/62/39/56/630623956.db2.gz VEDPSLCTQSJDTQ-SFHVURJKSA-N 1 2 322.412 3.284 20 10 DGCDLO CCCN(Cc1c(O)ccc(Cl)c1F)[C@H]1CC[N@H+](C)C1 ZINC000843423174 630656209 /nfs/dbraw/zinc/65/62/09/630656209.db2.gz YAMXKYSYBJORSR-NSHDSACASA-N 1 2 300.805 3.101 20 10 DGCDLO CCCN(Cc1c(O)ccc(Cl)c1F)[C@H]1CC[N@@H+](C)C1 ZINC000843423174 630656211 /nfs/dbraw/zinc/65/62/11/630656211.db2.gz YAMXKYSYBJORSR-NSHDSACASA-N 1 2 300.805 3.101 20 10 DGCDLO CCC[N@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CCN(C)C1 ZINC000843423174 630656215 /nfs/dbraw/zinc/65/62/15/630656215.db2.gz YAMXKYSYBJORSR-NSHDSACASA-N 1 2 300.805 3.101 20 10 DGCDLO CCC[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CCN(C)C1 ZINC000843423174 630656219 /nfs/dbraw/zinc/65/62/19/630656219.db2.gz YAMXKYSYBJORSR-NSHDSACASA-N 1 2 300.805 3.101 20 10 DGCDLO Cc1cc(C)c(CNC(=O)NCc2cc(Cl)ccc2O)c[nH+]1 ZINC000845246106 631155583 /nfs/dbraw/zinc/15/55/83/631155583.db2.gz NBMKJUDEBGIMBZ-UHFFFAOYSA-N 1 2 319.792 3.057 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000846042403 631207772 /nfs/dbraw/zinc/20/77/72/631207772.db2.gz LDOZGOLVQWFMEB-HNNXBMFYSA-N 1 2 313.800 3.480 20 10 DGCDLO COc1cccc([C@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000846160271 631212725 /nfs/dbraw/zinc/21/27/25/631212725.db2.gz NPJVSAGMACCBRU-WFASDCNBSA-N 1 2 323.433 3.418 20 10 DGCDLO CC[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cccc(Cl)c1O ZINC000846210884 631215063 /nfs/dbraw/zinc/21/50/63/631215063.db2.gz CWNBCNLBBPQUAF-HOCLYGCPSA-N 1 2 313.825 3.018 20 10 DGCDLO CCc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1O ZINC000848888113 631772774 /nfs/dbraw/zinc/77/27/74/631772774.db2.gz MFWUULZCCXDRKK-ZWNOBZJWSA-N 1 2 303.324 3.106 20 10 DGCDLO CCc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1O ZINC000848888113 631772778 /nfs/dbraw/zinc/77/27/78/631772778.db2.gz MFWUULZCCXDRKK-ZWNOBZJWSA-N 1 2 303.324 3.106 20 10 DGCDLO CC[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1cccc(Cl)c1O ZINC000850498830 632172685 /nfs/dbraw/zinc/17/26/85/632172685.db2.gz DQCRJYSSLHXFCY-XDTLVQLUSA-N 1 2 306.797 3.384 20 10 DGCDLO CCc1nnc([C@H](C)[N@@H+](C)Cc2ccc(N(CC)CC)cc2)[nH]1 ZINC000851716518 632473126 /nfs/dbraw/zinc/47/31/26/632473126.db2.gz NXZADRXLGNWDNF-AWEZNQCLSA-N 1 2 315.465 3.406 20 10 DGCDLO CCc1nnc([C@H](C)[N@H+](C)Cc2ccc(N(CC)CC)cc2)[nH]1 ZINC000851716518 632473128 /nfs/dbraw/zinc/47/31/28/632473128.db2.gz NXZADRXLGNWDNF-AWEZNQCLSA-N 1 2 315.465 3.406 20 10 DGCDLO CCN(Cc1ccccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184801003 660187681 /nfs/dbraw/zinc/18/76/81/660187681.db2.gz VBSIZDFXYCEKEV-LJQANCHMSA-N 1 2 310.441 3.489 20 10 DGCDLO CCN(Cc1ccccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184801003 660187682 /nfs/dbraw/zinc/18/76/82/660187682.db2.gz VBSIZDFXYCEKEV-LJQANCHMSA-N 1 2 310.441 3.489 20 10 DGCDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1c(O)cccc1Br ZINC000707146663 660893649 /nfs/dbraw/zinc/89/36/49/660893649.db2.gz QDPJWOLCPRYMHV-GHMZBOCLSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1c(O)cccc1Br ZINC000707146663 660893650 /nfs/dbraw/zinc/89/36/50/660893650.db2.gz QDPJWOLCPRYMHV-GHMZBOCLSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708098310 660918141 /nfs/dbraw/zinc/91/81/41/660918141.db2.gz HTGMKMYVKMYCBY-GFCCVEGCSA-N 1 2 322.630 3.059 20 10 DGCDLO CN(C)c1ccc(C[N@@H+]2CCOCC2(C)C)c(C(F)(F)F)c1 ZINC000792791224 660984919 /nfs/dbraw/zinc/98/49/19/660984919.db2.gz GLWATBKKECPPRK-UHFFFAOYSA-N 1 2 316.367 3.382 20 10 DGCDLO CN(C)c1ccc(C[N@H+]2CCOCC2(C)C)c(C(F)(F)F)c1 ZINC000792791224 660984920 /nfs/dbraw/zinc/98/49/20/660984920.db2.gz GLWATBKKECPPRK-UHFFFAOYSA-N 1 2 316.367 3.382 20 10 DGCDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000795694240 661168249 /nfs/dbraw/zinc/16/82/49/661168249.db2.gz OSAAHCFVSUVOIY-BONVTDFDSA-N 1 2 315.335 3.033 20 10 DGCDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000795694240 661168250 /nfs/dbraw/zinc/16/82/50/661168250.db2.gz OSAAHCFVSUVOIY-BONVTDFDSA-N 1 2 315.335 3.033 20 10 DGCDLO C[C@@H]1SCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000309783728 655882732 /nfs/dbraw/zinc/88/27/32/655882732.db2.gz NNFCAUUVYBYZOY-GZMMTYOYSA-N 1 2 302.237 3.138 20 10 DGCDLO COC(C)(C)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715735121 661214201 /nfs/dbraw/zinc/21/42/01/661214201.db2.gz CTFJAIXZEKSRDB-UHFFFAOYSA-N 1 2 320.202 3.199 20 10 DGCDLO CS[C@@H](C)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715745264 661214326 /nfs/dbraw/zinc/21/43/26/661214326.db2.gz LLNCSGHQNBELBM-ZETCQYMHSA-N 1 2 308.216 3.135 20 10 DGCDLO CSC1(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715789161 661214579 /nfs/dbraw/zinc/21/45/79/661214579.db2.gz NLGDUSSUUOZASQ-UHFFFAOYSA-N 1 2 320.227 3.279 20 10 DGCDLO C[C@H]1SCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715790717 661214777 /nfs/dbraw/zinc/21/47/77/661214777.db2.gz CPEDUIZJLADCJG-RDDDGLTNSA-N 1 2 320.227 3.277 20 10 DGCDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2c(O)cc(C)cc2Cl)n1 ZINC000840946044 656581823 /nfs/dbraw/zinc/58/18/23/656581823.db2.gz GTNWKDGGWVTMHA-ZDUSSCGKSA-N 1 2 307.781 3.383 20 10 DGCDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2c(O)cc(C)cc2Cl)n1 ZINC000840946044 656581828 /nfs/dbraw/zinc/58/18/28/656581828.db2.gz GTNWKDGGWVTMHA-ZDUSSCGKSA-N 1 2 307.781 3.383 20 10 DGCDLO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O ZINC000063191304 659370312 /nfs/dbraw/zinc/37/03/12/659370312.db2.gz JOHDIZRBJDHLHW-ZANVPECISA-N 1 2 303.233 3.401 20 10 DGCDLO Cc1cc(C(=O)NCCn2cc[nH+]c2)c(C)n1-c1cccc(C)c1 ZINC000075862268 661954170 /nfs/dbraw/zinc/95/41/70/661954170.db2.gz CXOUKZPOIFMAMK-UHFFFAOYSA-N 1 2 322.412 3.029 20 10 DGCDLO CC1(C)C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000160515985 685099738 /nfs/dbraw/zinc/09/97/38/685099738.db2.gz AMNLFGXXRQLOJI-NSHDSACASA-N 1 2 314.223 3.202 20 10 DGCDLO C[C@@H]1C[C@H](C[NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000388683369 685190818 /nfs/dbraw/zinc/19/08/18/685190818.db2.gz ISFRGNWGMVMELF-GHMZBOCLSA-N 1 2 314.223 3.059 20 10 DGCDLO CCOCC(C)(C)C[NH2+]Cc1cccc(Br)c1O ZINC000394047084 685221156 /nfs/dbraw/zinc/22/11/56/685221156.db2.gz KIQKPQCQKCMKBQ-UHFFFAOYSA-N 1 2 316.239 3.307 20 10 DGCDLO COCCCC[N@H+](C)Cc1cccc(Br)c1O ZINC000397098090 685228978 /nfs/dbraw/zinc/22/89/78/685228978.db2.gz BQZXSUXHIRGJRB-UHFFFAOYSA-N 1 2 302.212 3.013 20 10 DGCDLO COCCCC[N@@H+](C)Cc1cccc(Br)c1O ZINC000397098090 685228987 /nfs/dbraw/zinc/22/89/87/685228987.db2.gz BQZXSUXHIRGJRB-UHFFFAOYSA-N 1 2 302.212 3.013 20 10 DGCDLO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CS1 ZINC000397957504 685234346 /nfs/dbraw/zinc/23/43/46/685234346.db2.gz ZVAHSWBVYLVEAB-WCBMZHEXSA-N 1 2 302.237 3.138 20 10 DGCDLO Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001620788112 1191966590 /nfs/dbraw/zinc/96/65/90/1191966590.db2.gz WXJUSPVNMQEQEY-CQSZACIVSA-N 1 2 321.783 3.450 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)c1ccsc1 ZINC001589952367 1192478465 /nfs/dbraw/zinc/47/84/65/1192478465.db2.gz NNQAIDJNEPMGTL-ZJUUUORDSA-N 1 2 315.402 3.046 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC001334343243 1178751491 /nfs/dbraw/zinc/75/14/91/1178751491.db2.gz VJSWAMGNBYTLLQ-HNNXBMFYSA-N 1 2 323.339 3.445 20 10 DGCDLO C[N@H+](Cc1nccn1C1CC1)Cc1ccc(N2CCCC2)cc1 ZINC001462205534 1182923565 /nfs/dbraw/zinc/92/35/65/1182923565.db2.gz GVIQTXPVVJGJJU-UHFFFAOYSA-N 1 2 310.445 3.450 20 10 DGCDLO C[N@@H+](Cc1nccn1C1CC1)Cc1ccc(N2CCCC2)cc1 ZINC001462205534 1182923572 /nfs/dbraw/zinc/92/35/72/1182923572.db2.gz GVIQTXPVVJGJJU-UHFFFAOYSA-N 1 2 310.445 3.450 20 10 DGCDLO CCOc1ccc([N@H+](CCCN2CCCC2=O)CC2CC2)cc1 ZINC001473719719 1183793399 /nfs/dbraw/zinc/79/33/99/1183793399.db2.gz OAMZXXJBGSFPBV-UHFFFAOYSA-N 1 2 316.445 3.314 20 10 DGCDLO CCOc1ccc([N@@H+](CCCN2CCCC2=O)CC2CC2)cc1 ZINC001473719719 1183793400 /nfs/dbraw/zinc/79/34/00/1183793400.db2.gz OAMZXXJBGSFPBV-UHFFFAOYSA-N 1 2 316.445 3.314 20 10 DGCDLO Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)c(O)c1O ZINC001614883980 1193514206 /nfs/dbraw/zinc/51/42/06/1193514206.db2.gz LUHJTYUFDZIXCC-UHFFFAOYSA-N 1 2 323.352 3.153 20 10 DGCDLO Oc1cccc(F)c1CNc1nc2ccccc2n2c[nH+]cc12 ZINC001559284915 1189191984 /nfs/dbraw/zinc/19/19/84/1189191984.db2.gz WDIAFCCLEMFWQD-UHFFFAOYSA-N 1 2 308.316 3.339 20 10 DGCDLO Cc1cc(C[N@@H+]2Cc3ccccc3NC(=O)[C@@H]2C)ccc1N(C)C ZINC001559989572 1189266671 /nfs/dbraw/zinc/26/66/71/1189266671.db2.gz SSUMMNLAPMCBES-HNNXBMFYSA-N 1 2 323.440 3.404 20 10 DGCDLO Cc1cc(C[N@H+]2Cc3ccccc3NC(=O)[C@@H]2C)ccc1N(C)C ZINC001559989572 1189266675 /nfs/dbraw/zinc/26/66/75/1189266675.db2.gz SSUMMNLAPMCBES-HNNXBMFYSA-N 1 2 323.440 3.404 20 10 DGCDLO CCOC(=O)[C@H](CC1CC1)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001560995916 1189417289 /nfs/dbraw/zinc/41/72/89/1189417289.db2.gz CEPQFDADLGPILL-INIZCTEOSA-N 1 2 305.418 3.337 20 10 DGCDLO Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)nn1 ZINC001621113271 1193766434 /nfs/dbraw/zinc/76/64/34/1193766434.db2.gz CITYPLIXFBUVAC-UHFFFAOYSA-N 1 2 309.369 3.286 20 10 DGCDLO Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)nn1 ZINC001621113271 1193766438 /nfs/dbraw/zinc/76/64/38/1193766438.db2.gz CITYPLIXFBUVAC-UHFFFAOYSA-N 1 2 309.369 3.286 20 10 DGCDLO Oc1c(CN2CCC[C@@H]2C[NH+]2CCCCC2)ccc(F)c1F ZINC001621133636 1193807199 /nfs/dbraw/zinc/80/71/99/1193807199.db2.gz CWMXJUDEOWDNDI-CQSZACIVSA-N 1 2 310.388 3.121 20 10 DGCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](O)Cc1ccccc1 ZINC001650807851 1195385187 /nfs/dbraw/zinc/38/51/87/1195385187.db2.gz QGOVTOZTFODKFB-MEDUHNTESA-N 1 2 323.795 3.266 20 10 DGCDLO C[N@H+](CCOc1ccccc1F)Cc1ccc(F)c(F)c1O ZINC001652066722 1195543905 /nfs/dbraw/zinc/54/39/05/1195543905.db2.gz FXYASXVENBQMBH-UHFFFAOYSA-N 1 2 311.303 3.320 20 10 DGCDLO C[N@@H+](CCOc1ccccc1F)Cc1ccc(F)c(F)c1O ZINC001652066722 1195543910 /nfs/dbraw/zinc/54/39/10/1195543910.db2.gz FXYASXVENBQMBH-UHFFFAOYSA-N 1 2 311.303 3.320 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC001659756345 1196411506 /nfs/dbraw/zinc/41/15/06/1196411506.db2.gz PFGLMZYTJMYIGY-DOMZBBRYSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC001659756345 1196411507 /nfs/dbraw/zinc/41/15/07/1196411507.db2.gz PFGLMZYTJMYIGY-DOMZBBRYSA-N 1 2 316.367 3.213 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC001663591619 1196910056 /nfs/dbraw/zinc/91/00/56/1196910056.db2.gz USTBOKWLPVWHDG-UHFFFAOYSA-N 1 2 315.323 3.146 20 10 DGCDLO Cc1ccc2c(c1)C[N@@H+](Cc1cc(F)c(F)cc1O)CCO2 ZINC001664677191 1197033303 /nfs/dbraw/zinc/03/33/03/1197033303.db2.gz VUSKIZZXGNKPTP-UHFFFAOYSA-N 1 2 305.324 3.373 20 10 DGCDLO Cc1ccc2c(c1)C[N@H+](Cc1cc(F)c(F)cc1O)CCO2 ZINC001664677191 1197033306 /nfs/dbraw/zinc/03/33/06/1197033306.db2.gz VUSKIZZXGNKPTP-UHFFFAOYSA-N 1 2 305.324 3.373 20 10 DGCDLO COc1ccc(F)c(F)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001143412622 1082351068 /nfs/dbraw/zinc/35/10/68/1082351068.db2.gz CGBHGHJVBZBBGJ-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO COc1ccc(F)c(F)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001143412622 1082351072 /nfs/dbraw/zinc/35/10/72/1082351072.db2.gz CGBHGHJVBZBBGJ-UHFFFAOYSA-N 1 2 305.324 3.237 20 10 DGCDLO CCc1cc(N[C@@H](C)c2cc(OC)ccc2O)nc(CC)[nH+]1 ZINC001185291048 1084405933 /nfs/dbraw/zinc/40/59/33/1084405933.db2.gz RXRHAHXRFGTVBX-NSHDSACASA-N 1 2 301.390 3.489 20 10 DGCDLO CSCc1cc[nH+]c(N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001155947935 1089309454 /nfs/dbraw/zinc/30/94/54/1089309454.db2.gz GGNKREBZWZOGKQ-UHFFFAOYSA-N 1 2 316.426 3.309 20 10 DGCDLO C[N@@H+]1CCC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]21 ZINC001203584745 1090761480 /nfs/dbraw/zinc/76/14/80/1090761480.db2.gz FCZIBAAXQAJMAT-HZMBPMFUSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@H+]1CCC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]21 ZINC001203584745 1090761482 /nfs/dbraw/zinc/76/14/82/1090761482.db2.gz FCZIBAAXQAJMAT-HZMBPMFUSA-N 1 2 315.244 3.225 20 10 DGCDLO CCN(CC)c1ccc(C[NH+]2CC(Oc3cccnc3)C2)cc1 ZINC001203939287 1090844264 /nfs/dbraw/zinc/84/42/64/1090844264.db2.gz OOBYOAFCXQNSQZ-UHFFFAOYSA-N 1 2 311.429 3.191 20 10 DGCDLO Cc1c(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)c2ccccc2n1C ZINC001138258037 1091126569 /nfs/dbraw/zinc/12/65/69/1091126569.db2.gz JAMFAJUUOOGMCM-HNNXBMFYSA-N 1 2 312.335 3.250 20 10 DGCDLO Cc1c(C[N@H+]2CCO[C@H](C(F)(F)F)C2)c2ccccc2n1C ZINC001138258037 1091126573 /nfs/dbraw/zinc/12/65/73/1091126573.db2.gz JAMFAJUUOOGMCM-HNNXBMFYSA-N 1 2 312.335 3.250 20 10 DGCDLO CC[C@@H]1CCC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139132658 1091458778 /nfs/dbraw/zinc/45/87/78/1091458778.db2.gz YXHMNCXMQIHYHY-CYBMUJFWSA-N 1 2 301.386 3.429 20 10 DGCDLO CC[C@@H]1CCC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139132658 1091458784 /nfs/dbraw/zinc/45/87/84/1091458784.db2.gz YXHMNCXMQIHYHY-CYBMUJFWSA-N 1 2 301.386 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)Cc1cccnc1C ZINC001139133824 1091462282 /nfs/dbraw/zinc/46/22/82/1091462282.db2.gz SACBGZJLSZPFIF-UHFFFAOYSA-N 1 2 324.380 3.142 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)Cc1cccnc1C ZINC001139133824 1091462285 /nfs/dbraw/zinc/46/22/85/1091462285.db2.gz SACBGZJLSZPFIF-UHFFFAOYSA-N 1 2 324.380 3.142 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cc(Cl)ccn1)CCC2 ZINC001139565011 1091604552 /nfs/dbraw/zinc/60/45/52/1091604552.db2.gz KRMPKKWHMCBRLO-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cc(Cl)ccn1)CCC2 ZINC001139565011 1091604558 /nfs/dbraw/zinc/60/45/58/1091604558.db2.gz KRMPKKWHMCBRLO-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1c(F)ccc(F)c1CN1CC[NH+](C2CCCCC2)CC1 ZINC001139685657 1091641957 /nfs/dbraw/zinc/64/19/57/1091641957.db2.gz RWGGCVXFSKHJJV-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO COC(=O)C[N@H+](Cc1ccccc1)Cc1c(C)ccc(C)c1O ZINC001140182566 1091793563 /nfs/dbraw/zinc/79/35/63/1091793563.db2.gz VMZHPFNLWFZGJW-UHFFFAOYSA-N 1 2 313.397 3.184 20 10 DGCDLO COC(=O)C[N@@H+](Cc1ccccc1)Cc1c(C)ccc(C)c1O ZINC001140182566 1091793571 /nfs/dbraw/zinc/79/35/71/1091793571.db2.gz VMZHPFNLWFZGJW-UHFFFAOYSA-N 1 2 313.397 3.184 20 10 DGCDLO Oc1cc(F)cc(F)c1CN1CC[NH+](C2CCCCC2)CC1 ZINC001140583172 1091919169 /nfs/dbraw/zinc/91/91/69/1091919169.db2.gz XZFMJVGYQOEBRH-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1c(O)cc(F)cc1F ZINC001140584343 1091920447 /nfs/dbraw/zinc/92/04/47/1091920447.db2.gz NUPUCKCEWRZQCL-UHFFFAOYSA-N 1 2 321.367 3.444 20 10 DGCDLO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1c(O)cc(F)cc1F ZINC001140584343 1091920456 /nfs/dbraw/zinc/92/04/56/1091920456.db2.gz NUPUCKCEWRZQCL-UHFFFAOYSA-N 1 2 321.367 3.444 20 10 DGCDLO O=C(c1ccccc1)[C@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585490 1091921286 /nfs/dbraw/zinc/92/12/86/1091921286.db2.gz KJIIMWKAXNQTCP-ZDUSSCGKSA-N 1 2 317.335 3.375 20 10 DGCDLO O=C(c1ccccc1)[C@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585490 1091921291 /nfs/dbraw/zinc/92/12/91/1091921291.db2.gz KJIIMWKAXNQTCP-ZDUSSCGKSA-N 1 2 317.335 3.375 20 10 DGCDLO Cc1ccnn1C1CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140585994 1091921830 /nfs/dbraw/zinc/92/18/30/1091921830.db2.gz YXOVLPLSDUXXBC-UHFFFAOYSA-N 1 2 307.344 3.012 20 10 DGCDLO Cc1cccnc1O[C@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585963 1091921914 /nfs/dbraw/zinc/92/19/14/1091921914.db2.gz XLKNDZUHKDSDHJ-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585963 1091921918 /nfs/dbraw/zinc/92/19/18/1091921918.db2.gz XLKNDZUHKDSDHJ-ZDUSSCGKSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1ccc(O)c(CN2CC3(CC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001140620872 1091934749 /nfs/dbraw/zinc/93/47/49/1091934749.db2.gz CPOIUCINQKQEAI-UHFFFAOYSA-N 1 2 308.425 3.161 20 10 DGCDLO Cc1ccc(O)c(CN2CC3(CC[N@H+]3Cc3ccccc3)C2)c1 ZINC001140620872 1091934756 /nfs/dbraw/zinc/93/47/56/1091934756.db2.gz CPOIUCINQKQEAI-UHFFFAOYSA-N 1 2 308.425 3.161 20 10 DGCDLO Cc1ccc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)c1 ZINC001140624512 1091936811 /nfs/dbraw/zinc/93/68/11/1091936811.db2.gz ZFICVCHZSUBJSA-QGZVFWFLSA-N 1 2 324.415 3.396 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccccc1[N+](=O)[O-] ZINC001207434162 1091966301 /nfs/dbraw/zinc/96/63/01/1091966301.db2.gz UYECWLQTQIEYGU-SECBINFHSA-N 1 2 308.284 3.429 20 10 DGCDLO Oc1ccc(O)c(C[NH+](Cc2ccccn2)Cc2ccccn2)c1 ZINC001141156191 1092156281 /nfs/dbraw/zinc/15/62/81/1092156281.db2.gz SZPWCHOPZRCCBC-UHFFFAOYSA-N 1 2 321.380 3.090 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH+]1CCC(Oc2ccncc2)CC1 ZINC001142508922 1092492275 /nfs/dbraw/zinc/49/22/75/1092492275.db2.gz PYSLBEXRQZLVHC-UHFFFAOYSA-N 1 2 320.339 3.109 20 10 DGCDLO c1cn(Cc2cccc(Nc3ccc4c(c3)OCCN4)c2)c[nH+]1 ZINC001209766170 1092909546 /nfs/dbraw/zinc/90/95/46/1092909546.db2.gz GWFPCUAMESCARL-UHFFFAOYSA-N 1 2 306.369 3.479 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@@H](CC)CO1 ZINC000403837168 1094187483 /nfs/dbraw/zinc/18/74/83/1094187483.db2.gz CAEWWYBDAOAVNB-LSDHHAIUSA-N 1 2 309.381 3.123 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@@H](CC)CO1 ZINC000403837168 1094187486 /nfs/dbraw/zinc/18/74/86/1094187486.db2.gz CAEWWYBDAOAVNB-LSDHHAIUSA-N 1 2 309.381 3.123 20 10 DGCDLO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC001138128401 1095900863 /nfs/dbraw/zinc/90/08/63/1095900863.db2.gz HQIRTRBHOLDWDZ-HNNXBMFYSA-N 1 2 314.404 3.410 20 10 DGCDLO C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138128401 1095900867 /nfs/dbraw/zinc/90/08/67/1095900867.db2.gz HQIRTRBHOLDWDZ-HNNXBMFYSA-N 1 2 314.404 3.410 20 10 DGCDLO Nc1cn2ccc(NCc3cc4ccccc4cc3O)cc2[nH+]1 ZINC001171404654 1096675114 /nfs/dbraw/zinc/67/51/14/1096675114.db2.gz HCPCHUCDUCYCQQ-UHFFFAOYSA-N 1 2 304.353 3.387 20 10 DGCDLO C[C@]1(CO)CC(F)(F)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231586134 1097785888 /nfs/dbraw/zinc/78/58/88/1097785888.db2.gz ATGRREBLWZKULK-MRXNPFEDSA-N 1 2 307.340 3.137 20 10 DGCDLO C[C@]1(CO)CC(F)(F)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231586134 1097785895 /nfs/dbraw/zinc/78/58/95/1097785895.db2.gz ATGRREBLWZKULK-MRXNPFEDSA-N 1 2 307.340 3.137 20 10 DGCDLO OC[C@H]1CCC(F)(F)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC001231588299 1097786055 /nfs/dbraw/zinc/78/60/55/1097786055.db2.gz PAMOQIRXAPQLBN-CYBMUJFWSA-N 1 2 307.340 3.137 20 10 DGCDLO OC[C@H]1CCC(F)(F)C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC001231588299 1097786061 /nfs/dbraw/zinc/78/60/61/1097786061.db2.gz PAMOQIRXAPQLBN-CYBMUJFWSA-N 1 2 307.340 3.137 20 10 DGCDLO OC[C@H]1CCC(F)(F)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC001231879976 1097876902 /nfs/dbraw/zinc/87/69/02/1097876902.db2.gz YVQGXBNNXFPRSR-CQSZACIVSA-N 1 2 307.340 3.137 20 10 DGCDLO OC[C@H]1CCC(F)(F)C[N@H+]1Cc1ccc2ccccc2c1O ZINC001231879976 1097876906 /nfs/dbraw/zinc/87/69/06/1097876906.db2.gz YVQGXBNNXFPRSR-CQSZACIVSA-N 1 2 307.340 3.137 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001231911611 1097889524 /nfs/dbraw/zinc/88/95/24/1097889524.db2.gz IOZNVTHPCUXDBZ-OAHLLOKOSA-N 1 2 318.804 3.484 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001231911611 1097889536 /nfs/dbraw/zinc/88/95/36/1097889536.db2.gz IOZNVTHPCUXDBZ-OAHLLOKOSA-N 1 2 318.804 3.484 20 10 DGCDLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC001231910972 1097890180 /nfs/dbraw/zinc/89/01/80/1097890180.db2.gz XGMJPDIJWFDYSV-ZYHUDNBSSA-N 1 2 323.742 3.181 20 10 DGCDLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cccc(Cl)c1O ZINC001231910972 1097890186 /nfs/dbraw/zinc/89/01/86/1097890186.db2.gz XGMJPDIJWFDYSV-ZYHUDNBSSA-N 1 2 323.742 3.181 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001231913485 1097890542 /nfs/dbraw/zinc/89/05/42/1097890542.db2.gz KJBWNMMNCTWXRD-OAHLLOKOSA-N 1 2 318.804 3.484 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001231913485 1097890548 /nfs/dbraw/zinc/89/05/48/1097890548.db2.gz KJBWNMMNCTWXRD-OAHLLOKOSA-N 1 2 318.804 3.484 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1cccc(Cl)c1O)CCC2 ZINC001231914492 1097892161 /nfs/dbraw/zinc/89/21/61/1097892161.db2.gz MWHUFHPNORWRLP-UHFFFAOYSA-N 1 2 319.788 3.405 20 10 DGCDLO COCC[N@H+](Cc1c(O)cc(Br)cc1F)C(C)C ZINC001233030888 1098207031 /nfs/dbraw/zinc/20/70/31/1098207031.db2.gz QVYSZZRPXOBKJY-UHFFFAOYSA-N 1 2 320.202 3.151 20 10 DGCDLO COCC[N@@H+](Cc1c(O)cc(Br)cc1F)C(C)C ZINC001233030888 1098207036 /nfs/dbraw/zinc/20/70/36/1098207036.db2.gz QVYSZZRPXOBKJY-UHFFFAOYSA-N 1 2 320.202 3.151 20 10 DGCDLO Oc1c(C[N@@H+]2CCC[C@H]2Cc2ccccn2)ccc(F)c1F ZINC001233077095 1098218952 /nfs/dbraw/zinc/21/89/52/1098218952.db2.gz DHDSSLCMSQMCBO-AWEZNQCLSA-N 1 2 304.340 3.273 20 10 DGCDLO Oc1c(C[N@H+]2CCC[C@H]2Cc2ccccn2)ccc(F)c1F ZINC001233077095 1098218957 /nfs/dbraw/zinc/21/89/57/1098218957.db2.gz DHDSSLCMSQMCBO-AWEZNQCLSA-N 1 2 304.340 3.273 20 10 DGCDLO CC(C)[C@@H]1COCC[N@@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233418798 1098324320 /nfs/dbraw/zinc/32/43/20/1098324320.db2.gz WXTBGTGALJWUKB-ZDUSSCGKSA-N 1 2 303.324 3.268 20 10 DGCDLO CC(C)[C@@H]1COCC[N@H+]1Cc1cccc(C(F)(F)F)c1O ZINC001233418798 1098324327 /nfs/dbraw/zinc/32/43/27/1098324327.db2.gz WXTBGTGALJWUKB-ZDUSSCGKSA-N 1 2 303.324 3.268 20 10 DGCDLO CCN1CCC([N@H+](C)Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454354 1098340594 /nfs/dbraw/zinc/34/05/94/1098340594.db2.gz RJHHDJLOZBLFQN-UHFFFAOYSA-N 1 2 316.367 3.327 20 10 DGCDLO CCN1CCC([N@@H+](C)Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454354 1098340600 /nfs/dbraw/zinc/34/06/00/1098340600.db2.gz RJHHDJLOZBLFQN-UHFFFAOYSA-N 1 2 316.367 3.327 20 10 DGCDLO Nc1ccc(N(Cc2ccccc2)C(=O)CCn2cc[nH+]c2)cc1 ZINC001176878192 1098446293 /nfs/dbraw/zinc/44/62/93/1098446293.db2.gz FWAACDWIWKXQCD-UHFFFAOYSA-N 1 2 320.396 3.089 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+]CCCn1cnc2ccccc21 ZINC001177127955 1098475186 /nfs/dbraw/zinc/47/51/86/1098475186.db2.gz XWNSVAJPXQHPDR-UHFFFAOYSA-N 1 2 317.339 3.200 20 10 DGCDLO CN(Cc1cc(Cl)c(Cl)cc1O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236215019 1099472893 /nfs/dbraw/zinc/47/28/93/1099472893.db2.gz GZMPWERFYQSJSR-CHWSQXEVSA-N 1 2 303.233 3.401 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001203663680 1099539669 /nfs/dbraw/zinc/53/96/69/1099539669.db2.gz DBZISAZNOGKYDM-INIZCTEOSA-N 1 2 304.777 3.014 20 10 DGCDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001203663680 1099539677 /nfs/dbraw/zinc/53/96/77/1099539677.db2.gz DBZISAZNOGKYDM-INIZCTEOSA-N 1 2 304.777 3.014 20 10 DGCDLO COc1cc(C[N@H+]2C[C@H](F)C[C@H]2C)c(O)cc1Br ZINC001236745067 1099769669 /nfs/dbraw/zinc/76/96/69/1099769669.db2.gz MGHKKHMICOFKKJ-PSASIEDQSA-N 1 2 318.186 3.096 20 10 DGCDLO COc1cc(C[N@@H+]2C[C@H](F)C[C@H]2C)c(O)cc1Br ZINC001236745067 1099769661 /nfs/dbraw/zinc/76/96/61/1099769661.db2.gz MGHKKHMICOFKKJ-PSASIEDQSA-N 1 2 318.186 3.096 20 10 DGCDLO COc1ccc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c(O)c1Cl ZINC001236801159 1099797009 /nfs/dbraw/zinc/79/70/09/1099797009.db2.gz GGUOFQHNEOBWPE-MRXNPFEDSA-N 1 2 313.825 3.039 20 10 DGCDLO COc1ccc(C[N@H+]2CCC[C@@](C)(CO)CC2)c(O)c1Cl ZINC001236801159 1099797019 /nfs/dbraw/zinc/79/70/19/1099797019.db2.gz GGUOFQHNEOBWPE-MRXNPFEDSA-N 1 2 313.825 3.039 20 10 DGCDLO COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c(O)c1Cl ZINC001236801699 1099797365 /nfs/dbraw/zinc/79/73/65/1099797365.db2.gz LXSBAAYWNYIBPK-AAEUAGOBSA-N 1 2 311.809 3.055 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c(O)c1Cl ZINC001236801699 1099797372 /nfs/dbraw/zinc/79/73/72/1099797372.db2.gz LXSBAAYWNYIBPK-AAEUAGOBSA-N 1 2 311.809 3.055 20 10 DGCDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1cc2ccccc2cc1O ZINC001236831085 1099816499 /nfs/dbraw/zinc/81/64/99/1099816499.db2.gz SEWRACLNZBZUTF-UHFFFAOYSA-N 1 2 301.386 3.319 20 10 DGCDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1cc2ccccc2cc1O ZINC001236831085 1099816506 /nfs/dbraw/zinc/81/65/06/1099816506.db2.gz SEWRACLNZBZUTF-UHFFFAOYSA-N 1 2 301.386 3.319 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2OC(F)(F)F)CCCC1=O ZINC001237118792 1099979578 /nfs/dbraw/zinc/97/95/78/1099979578.db2.gz BDJMOKITWJWGJM-SNVBAGLBSA-N 1 2 317.307 3.092 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2OC(F)(F)F)CCCC1=O ZINC001237118792 1099979591 /nfs/dbraw/zinc/97/95/91/1099979591.db2.gz BDJMOKITWJWGJM-SNVBAGLBSA-N 1 2 317.307 3.092 20 10 DGCDLO Cc1cccc(O)c1C[N@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001237491077 1100143581 /nfs/dbraw/zinc/14/35/81/1100143581.db2.gz GDTSQMADAUSCQM-HNNXBMFYSA-N 1 2 306.406 3.099 20 10 DGCDLO Cc1cccc(O)c1C[N@@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001237491077 1100143584 /nfs/dbraw/zinc/14/35/84/1100143584.db2.gz GDTSQMADAUSCQM-HNNXBMFYSA-N 1 2 306.406 3.099 20 10 DGCDLO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237620584 1100190815 /nfs/dbraw/zinc/19/08/15/1100190815.db2.gz VOUAVFIXQNLGCM-WBMJQRKESA-N 1 2 313.800 3.433 20 10 DGCDLO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC001237620584 1100190819 /nfs/dbraw/zinc/19/08/19/1100190819.db2.gz VOUAVFIXQNLGCM-WBMJQRKESA-N 1 2 313.800 3.433 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2ncccn2)c1O ZINC001237688275 1100214885 /nfs/dbraw/zinc/21/48/85/1100214885.db2.gz GTKRQZMMKCXTJE-CQSZACIVSA-N 1 2 303.793 3.481 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2ncccn2)c1O ZINC001237688275 1100214890 /nfs/dbraw/zinc/21/48/90/1100214890.db2.gz GTKRQZMMKCXTJE-CQSZACIVSA-N 1 2 303.793 3.481 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3ccccn3)C2)c1O ZINC001237687335 1100215288 /nfs/dbraw/zinc/21/52/88/1100215288.db2.gz XJUHIPFFUZLINW-INIZCTEOSA-N 1 2 318.804 3.323 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3ccccn3)C2)c1O ZINC001237687335 1100215291 /nfs/dbraw/zinc/21/52/91/1100215291.db2.gz XJUHIPFFUZLINW-INIZCTEOSA-N 1 2 318.804 3.323 20 10 DGCDLO OCC[C@@H]1CC12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237804362 1100252078 /nfs/dbraw/zinc/25/20/78/1100252078.db2.gz CLAYXXVBNXJDJV-GFCCVEGCSA-N 1 2 313.800 3.169 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2O)CCC[C@@]1(C)O ZINC001237807945 1100253279 /nfs/dbraw/zinc/25/32/79/1100253279.db2.gz OSJPKVFGJRFJKN-ZUZCIYMTSA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2O)CCC[C@@]1(C)O ZINC001237807945 1100253284 /nfs/dbraw/zinc/25/32/84/1100253284.db2.gz OSJPKVFGJRFJKN-ZUZCIYMTSA-N 1 2 301.789 3.168 20 10 DGCDLO O=c1cc(-c2ccc3[nH+]ccn3c2)ccn1Cc1cccc(F)c1 ZINC001240221672 1100901046 /nfs/dbraw/zinc/90/10/46/1100901046.db2.gz PEZOHVFCKPPBMG-UHFFFAOYSA-N 1 2 319.339 3.350 20 10 DGCDLO Cn1ccc2ccc(-c3ccc(C[NH+]4CCOCC4)nc3)cc21 ZINC001240575079 1101056054 /nfs/dbraw/zinc/05/60/54/1101056054.db2.gz RLHUMIMVDWKDNG-UHFFFAOYSA-N 1 2 307.397 3.073 20 10 DGCDLO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(Br)c2O)[C@@H](C)O1 ZINC000686514132 1103048407 /nfs/dbraw/zinc/04/84/07/1103048407.db2.gz XMLMVTDIUWWHNG-FOGDFJRCSA-N 1 2 314.223 3.058 20 10 DGCDLO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249223407 1105249983 /nfs/dbraw/zinc/24/99/83/1105249983.db2.gz FBOSLVSMUOPYPY-LBPRGKRZSA-N 1 2 301.386 3.130 20 10 DGCDLO C[C@H]1CC(=O)CC[N@H+]1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249223407 1105249986 /nfs/dbraw/zinc/24/99/86/1105249986.db2.gz FBOSLVSMUOPYPY-LBPRGKRZSA-N 1 2 301.386 3.130 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)[C@H](C)CO1 ZINC000701194743 1108903346 /nfs/dbraw/zinc/90/33/46/1108903346.db2.gz WJGYQVMVLJUBST-ZWNOBZJWSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)[C@H](C)CO1 ZINC000701194743 1108903352 /nfs/dbraw/zinc/90/33/52/1108903352.db2.gz WJGYQVMVLJUBST-ZWNOBZJWSA-N 1 2 314.223 3.154 20 10 DGCDLO Cc1nc(C[NH2+]Cc2ccc3c(c2)CCO3)nc2ccccc12 ZINC001308241048 1111402826 /nfs/dbraw/zinc/40/28/26/1111402826.db2.gz VZKQPTIQGKWELI-UHFFFAOYSA-N 1 2 305.381 3.163 20 10 DGCDLO CC[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1noc(C)n1 ZINC001308304415 1111414198 /nfs/dbraw/zinc/41/41/98/1111414198.db2.gz ZCTAFRWEYIPFPK-WLMCBFPDSA-N 1 2 300.406 3.198 20 10 DGCDLO C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)[C@H]2C1 ZINC000272589090 283076539 /nfs/dbraw/zinc/07/65/39/283076539.db2.gz HQLLOZACRFTKTM-YGRLFVJLSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@H+]1CC[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3O)[C@H]2C1 ZINC000272589090 283076540 /nfs/dbraw/zinc/07/65/40/283076540.db2.gz HQLLOZACRFTKTM-YGRLFVJLSA-N 1 2 315.244 3.225 20 10 DGCDLO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179931209 432074391 /nfs/dbraw/zinc/07/43/91/432074391.db2.gz YYRLBKCNCQUNCQ-CYBMUJFWSA-N 1 2 324.852 3.030 20 10 DGCDLO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179931209 432074394 /nfs/dbraw/zinc/07/43/94/432074394.db2.gz YYRLBKCNCQUNCQ-CYBMUJFWSA-N 1 2 324.852 3.030 20 10 DGCDLO C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1O ZINC000282552668 299383731 /nfs/dbraw/zinc/38/37/31/299383731.db2.gz XIZHIDGLKOVDGZ-TVQRCGJNSA-N 1 2 307.344 3.132 20 10 DGCDLO Cc1cc(C[N@@H+](C)Cc2cc(Br)ccc2O)no1 ZINC000092254054 193181626 /nfs/dbraw/zinc/18/16/26/193181626.db2.gz URPLHRMQGKPMDQ-UHFFFAOYSA-N 1 2 311.179 3.083 20 10 DGCDLO Cc1cc(C[N@H+](C)Cc2cc(Br)ccc2O)no1 ZINC000092254054 193181628 /nfs/dbraw/zinc/18/16/28/193181628.db2.gz URPLHRMQGKPMDQ-UHFFFAOYSA-N 1 2 311.179 3.083 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185142646 296133054 /nfs/dbraw/zinc/13/30/54/296133054.db2.gz IEGQAVQZGAAXPF-NXEZZACHSA-N 1 2 303.233 3.444 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185142646 296133056 /nfs/dbraw/zinc/13/30/56/296133056.db2.gz IEGQAVQZGAAXPF-NXEZZACHSA-N 1 2 303.233 3.444 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)c1nncn1C ZINC000273568653 296150341 /nfs/dbraw/zinc/15/03/41/296150341.db2.gz KDSLJHUWDRDUCR-JGVFFNPUSA-N 1 2 315.204 3.239 20 10 DGCDLO C[C@@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)c1nncn1C ZINC000278664973 296158566 /nfs/dbraw/zinc/15/85/66/296158566.db2.gz IXRGPURGAWVBAL-HTQZYQBOSA-N 1 2 315.204 3.239 20 10 DGCDLO COc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273428430 130120820 /nfs/dbraw/zinc/12/08/20/130120820.db2.gz VBGWUDKOCFUYMC-LLVKDONJSA-N 1 2 302.330 3.160 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1c(F)cncc1F ZINC000285724448 131196020 /nfs/dbraw/zinc/19/60/20/131196020.db2.gz QIDGRCZPAVYUMX-DTWKUNHWSA-N 1 2 323.299 3.385 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)CO[C@H]1CCOC1)c1cccc(Cl)c1O ZINC000287577877 131288455 /nfs/dbraw/zinc/28/84/55/131288455.db2.gz HDPDGSGDIAVFOY-XUJVJEKNSA-N 1 2 313.825 3.280 20 10 DGCDLO Cc1cc2[nH+]cn(C[C@H](O)CSc3nccs3)c2cc1C ZINC000052914744 400754588 /nfs/dbraw/zinc/75/45/88/400754588.db2.gz YNODFUUOPSCYME-LBPRGKRZSA-N 1 2 319.455 3.263 20 10 DGCDLO CCc1cc(N(C)Cc2ccccc2O)nc(-c2ccncc2)[nH+]1 ZINC000089635497 401232954 /nfs/dbraw/zinc/23/29/54/401232954.db2.gz BZUYKEHOOCBBSS-UHFFFAOYSA-N 1 2 320.396 3.443 20 10 DGCDLO C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(F)c(F)c1O ZINC000187676361 287071897 /nfs/dbraw/zinc/07/18/97/287071897.db2.gz NOYCHGZSLQLJHW-ZYHUDNBSSA-N 1 2 305.324 3.325 20 10 DGCDLO CC[C@H]([NH2+]CCN1CCSCC1)c1cccc(Cl)c1O ZINC000287783635 288041606 /nfs/dbraw/zinc/04/16/06/288041606.db2.gz SICVLXWCVCHMRV-AWEZNQCLSA-N 1 2 314.882 3.135 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)CN1CCCC1=O)c1cccc(Cl)c1O ZINC000287847336 288077345 /nfs/dbraw/zinc/07/73/45/288077345.db2.gz WOVZGFHVUPUFOE-RISCZKNCSA-N 1 2 310.825 3.097 20 10 DGCDLO CC[C@H]([NH2+][C@H](CCO)COC)c1cc(Cl)cc(Cl)c1O ZINC000287281822 288084695 /nfs/dbraw/zinc/08/46/95/288084695.db2.gz BMOZJFBDIMEDOU-MFKMUULPSA-N 1 2 322.232 3.137 20 10 DGCDLO CC[C@H]([NH2+][C@H](CO)CCOC)c1cc(Cl)cc(Cl)c1O ZINC000286967831 288085245 /nfs/dbraw/zinc/08/52/45/288085245.db2.gz IHYAUCCPKQEJGZ-GWCFXTLKSA-N 1 2 322.232 3.137 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cn[nH]c1C)c1cc(Br)ccc1O ZINC000038011172 431853393 /nfs/dbraw/zinc/85/33/93/431853393.db2.gz CDNPEIJNMYIIED-CYBMUJFWSA-N 1 2 324.222 3.427 20 10 DGCDLO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1cccc(Cl)c1O ZINC000287102636 280941088 /nfs/dbraw/zinc/94/10/88/280941088.db2.gz QDNWWZOOCFJJKL-BBRMVZONSA-N 1 2 324.852 3.345 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000126104257 431942814 /nfs/dbraw/zinc/94/28/14/431942814.db2.gz HKVJRONMHKDAQA-UHFFFAOYSA-N 1 2 318.200 3.038 20 10 DGCDLO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(Cl)c(Cl)c1O ZINC000184982548 432453149 /nfs/dbraw/zinc/45/31/49/432453149.db2.gz BYBJDIFMPNMKNL-KCJUWKMLSA-N 1 2 317.216 3.018 20 10 DGCDLO Cc1cccc(C[N@@H+]2CCSC[C@@H]2c2nccs2)c1O ZINC000186666193 432619341 /nfs/dbraw/zinc/61/93/41/432619341.db2.gz KEYNFXUKQCBLCQ-CYBMUJFWSA-N 1 2 306.456 3.447 20 10 DGCDLO Cc1cccc(C[N@H+]2CCSC[C@@H]2c2nccs2)c1O ZINC000186666193 432619343 /nfs/dbraw/zinc/61/93/43/432619343.db2.gz KEYNFXUKQCBLCQ-CYBMUJFWSA-N 1 2 306.456 3.447 20 10 DGCDLO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(Cl)c1O ZINC000227690956 432713003 /nfs/dbraw/zinc/71/30/03/432713003.db2.gz BTOWXXYJBVEDLM-JTQLQIEISA-N 1 2 314.813 3.048 20 10 DGCDLO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187754907 432683543 /nfs/dbraw/zinc/68/35/43/432683543.db2.gz DDANUTCSZLZXBW-JOYOIKCWSA-N 1 2 322.359 3.010 20 10 DGCDLO CSC1(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)CCOCC1 ZINC000187789836 432684530 /nfs/dbraw/zinc/68/45/30/432684530.db2.gz JZWWCBKHACGQMD-JTQLQIEISA-N 1 2 317.401 3.233 20 10 DGCDLO CCc1ccc([C@H](O)C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000289625892 432969416 /nfs/dbraw/zinc/96/94/16/432969416.db2.gz WOOFPOHHJBHZBJ-MRXNPFEDSA-N 1 2 305.805 3.431 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000289721580 432973461 /nfs/dbraw/zinc/97/34/61/432973461.db2.gz JRAFFRCNDZSJDC-WBVHZDCISA-N 1 2 321.392 3.123 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000289721580 432973465 /nfs/dbraw/zinc/97/34/65/432973465.db2.gz JRAFFRCNDZSJDC-WBVHZDCISA-N 1 2 321.392 3.123 20 10 DGCDLO OCC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)CC(F)F ZINC000279637058 432989452 /nfs/dbraw/zinc/98/94/52/432989452.db2.gz CPBPBFNWFVDTOG-UHFFFAOYSA-N 1 2 307.340 3.119 20 10 DGCDLO OCC[N@H+](Cc1cc(-c2ccccc2)ccc1O)CC(F)F ZINC000279637058 432989454 /nfs/dbraw/zinc/98/94/54/432989454.db2.gz CPBPBFNWFVDTOG-UHFFFAOYSA-N 1 2 307.340 3.119 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290906599 433202849 /nfs/dbraw/zinc/20/28/49/433202849.db2.gz MQSLDRQAUJSCRK-GFCCVEGCSA-N 1 2 312.200 3.343 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290906599 433202862 /nfs/dbraw/zinc/20/28/62/433202862.db2.gz MQSLDRQAUJSCRK-GFCCVEGCSA-N 1 2 312.200 3.343 20 10 DGCDLO Cc1cc(C)n(CCC[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000293506709 433763445 /nfs/dbraw/zinc/76/34/45/433763445.db2.gz AGZKQWGEIQYHFS-UHFFFAOYSA-N 1 2 311.788 3.178 20 10 DGCDLO Cc1nc(NCc2ccc(N(C)C)c(F)c2)c2c([nH+]1)CCCC2 ZINC000302054898 433811250 /nfs/dbraw/zinc/81/12/50/433811250.db2.gz QBJAUVLQUGBWPX-UHFFFAOYSA-N 1 2 314.408 3.481 20 10 DGCDLO C[N@H+](Cc1cc(Cl)c(F)cc1O)C1CCC(CO)CC1 ZINC000293897179 433914538 /nfs/dbraw/zinc/91/45/38/433914538.db2.gz KUCPOHQUHVGHDZ-UHFFFAOYSA-N 1 2 301.789 3.168 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CCC(CO)CC1 ZINC000293897179 433914550 /nfs/dbraw/zinc/91/45/50/433914550.db2.gz KUCPOHQUHVGHDZ-UHFFFAOYSA-N 1 2 301.789 3.168 20 10 DGCDLO CCCc1nc(C)c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)o1 ZINC000293903846 433916505 /nfs/dbraw/zinc/91/65/05/433916505.db2.gz ZTOCKMFCYBBPPJ-SNVBAGLBSA-N 1 2 319.361 3.400 20 10 DGCDLO CC(C)(C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)C(N)=O ZINC000294677451 434128614 /nfs/dbraw/zinc/12/86/14/434128614.db2.gz BFVWQHOETCHLOE-LBPRGKRZSA-N 1 2 324.852 3.159 20 10 DGCDLO CC(C)(C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)C(N)=O ZINC000294677451 434128621 /nfs/dbraw/zinc/12/86/21/434128621.db2.gz BFVWQHOETCHLOE-LBPRGKRZSA-N 1 2 324.852 3.159 20 10 DGCDLO CCOc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2c2nccn2C)c1O ZINC000294785785 434145436 /nfs/dbraw/zinc/14/54/36/434145436.db2.gz LPEROBJNFWACKN-INIZCTEOSA-N 1 2 315.417 3.108 20 10 DGCDLO CCOc1cccc(C[N@H+]2CC(C)(C)[C@@H]2c2nccn2C)c1O ZINC000294785785 434145450 /nfs/dbraw/zinc/14/54/50/434145450.db2.gz LPEROBJNFWACKN-INIZCTEOSA-N 1 2 315.417 3.108 20 10 DGCDLO Cc1cc(C)c([C@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)c(O)c1 ZINC000295026586 434160100 /nfs/dbraw/zinc/16/01/00/434160100.db2.gz OCVOXCOOTIRNDF-HNNXBMFYSA-N 1 2 322.412 3.441 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@@H+]2Cc2cc(OC)ccc2O)no1 ZINC000378440499 434184159 /nfs/dbraw/zinc/18/41/59/434184159.db2.gz BKYVAJFDCFFCHJ-CQSZACIVSA-N 1 2 317.389 3.073 20 10 DGCDLO CCc1nc([C@H]2CCCC[N@H+]2Cc2cc(OC)ccc2O)no1 ZINC000378440499 434184175 /nfs/dbraw/zinc/18/41/75/434184175.db2.gz BKYVAJFDCFFCHJ-CQSZACIVSA-N 1 2 317.389 3.073 20 10 DGCDLO COc1ccc([N@H+](CCC2OCCCO2)[C@@H](C)C2CC2)cc1 ZINC000267903132 295154928 /nfs/dbraw/zinc/15/49/28/295154928.db2.gz CHHIGCXKJUMBQJ-AWEZNQCLSA-N 1 2 305.418 3.453 20 10 DGCDLO COc1ccc([N@@H+](CCC2OCCCO2)[C@@H](C)C2CC2)cc1 ZINC000267903132 295154930 /nfs/dbraw/zinc/15/49/30/295154930.db2.gz CHHIGCXKJUMBQJ-AWEZNQCLSA-N 1 2 305.418 3.453 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000368520681 434578603 /nfs/dbraw/zinc/57/86/03/434578603.db2.gz XNSJHQFUVWUHJJ-UHFFFAOYSA-N 1 2 302.201 3.454 20 10 DGCDLO c1nc([C@H]2CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)no1 ZINC000371376417 434683926 /nfs/dbraw/zinc/68/39/26/434683926.db2.gz YKDLFUHBEWMARD-QGZVFWFLSA-N 1 2 312.417 3.397 20 10 DGCDLO c1nc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCCCC3)cc2)no1 ZINC000371376417 434683933 /nfs/dbraw/zinc/68/39/33/434683933.db2.gz YKDLFUHBEWMARD-QGZVFWFLSA-N 1 2 312.417 3.397 20 10 DGCDLO c1csc(SCCCNc2cc(N3CCCC3)nc[nH+]2)n1 ZINC000302874136 336372765 /nfs/dbraw/zinc/37/27/65/336372765.db2.gz DBLPHSHUJBYUEY-UHFFFAOYSA-N 1 2 321.475 3.128 20 10 DGCDLO c1csc(SCCCNc2cc(N3CCCC3)[nH+]cn2)n1 ZINC000302874136 336372766 /nfs/dbraw/zinc/37/27/66/336372766.db2.gz DBLPHSHUJBYUEY-UHFFFAOYSA-N 1 2 321.475 3.128 20 10 DGCDLO CCc1ccc([C@@H]2COCC[N@@H+]2Cc2cc(OC)ccc2O)o1 ZINC000180289520 524039661 /nfs/dbraw/zinc/03/96/61/524039661.db2.gz AEWQMRMZJLUMOT-INIZCTEOSA-N 1 2 317.385 3.130 20 10 DGCDLO CCc1ccc([C@@H]2COCC[N@H+]2Cc2cc(OC)ccc2O)o1 ZINC000180289520 524039665 /nfs/dbraw/zinc/03/96/65/524039665.db2.gz AEWQMRMZJLUMOT-INIZCTEOSA-N 1 2 317.385 3.130 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000365938755 526324066 /nfs/dbraw/zinc/32/40/66/526324066.db2.gz XVJXSKKRGZQDSS-TVQRCGJNSA-N 1 2 302.201 3.310 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000365938755 526324067 /nfs/dbraw/zinc/32/40/67/526324067.db2.gz XVJXSKKRGZQDSS-TVQRCGJNSA-N 1 2 302.201 3.310 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000731880619 574561026 /nfs/dbraw/zinc/56/10/26/574561026.db2.gz RRZKRTVZWVCJPT-UHFFFAOYSA-N 1 2 322.412 3.398 20 10 DGCDLO Cc1ncc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cn1 ZINC000732202552 574567829 /nfs/dbraw/zinc/56/78/29/574567829.db2.gz WEAKGRYINVQGNX-UHFFFAOYSA-N 1 2 309.369 3.286 20 10 DGCDLO Cc1ncc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cn1 ZINC000732202552 574567830 /nfs/dbraw/zinc/56/78/30/574567830.db2.gz WEAKGRYINVQGNX-UHFFFAOYSA-N 1 2 309.369 3.286 20 10 DGCDLO CCC[N@@H+]1Cc2cccc(NC(=O)C3=CC(=O)CS3)c2C1 ZINC000732283797 574570474 /nfs/dbraw/zinc/57/04/74/574570474.db2.gz DTSGGKNPSTUJRH-UHFFFAOYSA-N 1 2 302.399 3.432 20 10 DGCDLO CCC[N@H+]1Cc2cccc(NC(=O)C3=CC(=O)CS3)c2C1 ZINC000732283797 574570475 /nfs/dbraw/zinc/57/04/75/574570475.db2.gz DTSGGKNPSTUJRH-UHFFFAOYSA-N 1 2 302.399 3.432 20 10 DGCDLO COc1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)cc1C ZINC000734847781 574678755 /nfs/dbraw/zinc/67/87/55/574678755.db2.gz UNKZWPJICREKME-OAHLLOKOSA-N 1 2 307.340 3.105 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)c2nnc(C)o2)cc1 ZINC000738300214 574865107 /nfs/dbraw/zinc/86/51/07/574865107.db2.gz UUWQJDZUWCZGFU-ZDUSSCGKSA-N 1 2 302.422 3.417 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)c2nnc(C)o2)cc1 ZINC000738300214 574865109 /nfs/dbraw/zinc/86/51/09/574865109.db2.gz UUWQJDZUWCZGFU-ZDUSSCGKSA-N 1 2 302.422 3.417 20 10 DGCDLO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1nc(C(C)(C)C)no1 ZINC000742390883 574996023 /nfs/dbraw/zinc/99/60/23/574996023.db2.gz SUXDHXBJCQOQGO-NSHDSACASA-N 1 2 320.412 3.423 20 10 DGCDLO CCCN(Cc1ccccc1O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000743170333 575037601 /nfs/dbraw/zinc/03/76/01/575037601.db2.gz LPAVRHHQSDEXNG-UHFFFAOYSA-N 1 2 324.384 3.484 20 10 DGCDLO COc1ccc([N@H+](CCn2c(C)csc2=O)CC(C)C)cc1 ZINC000746171147 575437767 /nfs/dbraw/zinc/43/77/67/575437767.db2.gz QXTUSKPKDROKHG-UHFFFAOYSA-N 1 2 320.458 3.389 20 10 DGCDLO COc1ccc([N@@H+](CCn2c(C)csc2=O)CC(C)C)cc1 ZINC000746171147 575437770 /nfs/dbraw/zinc/43/77/70/575437770.db2.gz QXTUSKPKDROKHG-UHFFFAOYSA-N 1 2 320.458 3.389 20 10 DGCDLO COC(=O)C[N@H+](Cc1cc(C)cc(C(C)(C)C)c1O)C1CC1 ZINC000751952315 575814259 /nfs/dbraw/zinc/81/42/59/575814259.db2.gz JDITWNMLAWCBHQ-UHFFFAOYSA-N 1 2 305.418 3.136 20 10 DGCDLO COC(=O)C[N@@H+](Cc1cc(C)cc(C(C)(C)C)c1O)C1CC1 ZINC000751952315 575814260 /nfs/dbraw/zinc/81/42/60/575814260.db2.gz JDITWNMLAWCBHQ-UHFFFAOYSA-N 1 2 305.418 3.136 20 10 DGCDLO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cccc(Cl)c1O ZINC000806128844 617661557 /nfs/dbraw/zinc/66/15/57/617661557.db2.gz POYMRLPUMZGQDB-HNNXBMFYSA-N 1 2 318.804 3.385 20 10 DGCDLO CN(CC(F)F)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775725729 618516789 /nfs/dbraw/zinc/51/67/89/618516789.db2.gz ZFHILJCDOPEWDE-UHFFFAOYSA-N 1 2 318.795 3.207 20 10 DGCDLO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000775985867 618520131 /nfs/dbraw/zinc/52/01/31/618520131.db2.gz PJMCRFVZSWVEIK-UWVGGRQHSA-N 1 2 303.233 3.223 20 10 DGCDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000775985867 618520133 /nfs/dbraw/zinc/52/01/33/618520133.db2.gz PJMCRFVZSWVEIK-UWVGGRQHSA-N 1 2 303.233 3.223 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840958375 618635131 /nfs/dbraw/zinc/63/51/31/618635131.db2.gz QEHOVOQHHRAPAK-IUODEOHRSA-N 1 2 321.779 3.493 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840958375 618635132 /nfs/dbraw/zinc/63/51/32/618635132.db2.gz QEHOVOQHHRAPAK-IUODEOHRSA-N 1 2 321.779 3.493 20 10 DGCDLO CC(C)OC(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000895828048 618834541 /nfs/dbraw/zinc/83/45/41/618834541.db2.gz HOAQXRCSARIKTI-UHFFFAOYSA-N 1 2 311.809 3.209 20 10 DGCDLO C[C@](O)(C[NH2+]Cc1cccc(Cl)c1O)c1cccc(F)c1 ZINC000896563693 618928870 /nfs/dbraw/zinc/92/88/70/618928870.db2.gz LDANZODIEBJGDQ-INIZCTEOSA-N 1 2 309.768 3.182 20 10 DGCDLO C[NH+](C)CC[C@@H](NCc1cccc(Cl)c1O)c1cccnc1 ZINC000896718764 618947771 /nfs/dbraw/zinc/94/77/71/618947771.db2.gz CXRLGVLMJUJOAB-MRXNPFEDSA-N 1 2 319.836 3.223 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+]2CCc3c(ncn3CC)C2)cc1 ZINC000897337017 619063009 /nfs/dbraw/zinc/06/30/09/619063009.db2.gz UGCDUCZEYVBMMG-UHFFFAOYSA-N 1 2 312.461 3.308 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+]2CCc3c(ncn3CC)C2)cc1 ZINC000897337017 619063011 /nfs/dbraw/zinc/06/30/11/619063011.db2.gz UGCDUCZEYVBMMG-UHFFFAOYSA-N 1 2 312.461 3.308 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000857879569 621127441 /nfs/dbraw/zinc/12/74/41/621127441.db2.gz JBRLBRSHBIWVQH-UHFFFAOYSA-N 1 2 323.440 3.040 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000857879569 621127443 /nfs/dbraw/zinc/12/74/43/621127443.db2.gz JBRLBRSHBIWVQH-UHFFFAOYSA-N 1 2 323.440 3.040 20 10 DGCDLO C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)c2nccn21 ZINC000858171764 621161206 /nfs/dbraw/zinc/16/12/06/621161206.db2.gz CQDCJOPLTZEZDX-HZMBPMFUSA-N 1 2 306.360 3.023 20 10 DGCDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000754156326 621492216 /nfs/dbraw/zinc/49/22/16/621492216.db2.gz PUKXWTWSGNUKRL-JTQLQIEISA-N 1 2 314.223 3.154 20 10 DGCDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1cc(Br)ccc1O ZINC000754156326 621492218 /nfs/dbraw/zinc/49/22/18/621492218.db2.gz PUKXWTWSGNUKRL-JTQLQIEISA-N 1 2 314.223 3.154 20 10 DGCDLO CCO[C@@H](C)c1noc(C[N@H+](C)Cc2cc(C)cc(C)c2O)n1 ZINC000754742167 621530015 /nfs/dbraw/zinc/53/00/15/621530015.db2.gz RBQGHLIKPJMBOW-ZDUSSCGKSA-N 1 2 319.405 3.122 20 10 DGCDLO CCO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc(C)cc(C)c2O)n1 ZINC000754742167 621530018 /nfs/dbraw/zinc/53/00/18/621530018.db2.gz RBQGHLIKPJMBOW-ZDUSSCGKSA-N 1 2 319.405 3.122 20 10 DGCDLO C[C@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1cc(F)cc(F)c1O ZINC000756504030 621643066 /nfs/dbraw/zinc/64/30/66/621643066.db2.gz OPZGFTBMIGOZHY-STQMWFEESA-N 1 2 312.404 3.441 20 10 DGCDLO Cc1ccn2cc(C[NH2+][C@@H](C)c3cc(F)cc(F)c3O)nc2c1 ZINC000756533443 621645407 /nfs/dbraw/zinc/64/54/07/621645407.db2.gz HQJWTJKPMGHDDF-NSHDSACASA-N 1 2 317.339 3.477 20 10 DGCDLO COCC[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756528746 621645440 /nfs/dbraw/zinc/64/54/40/621645440.db2.gz WOVKGYLXFVFGGF-IUCAKERBSA-N 1 2 320.202 3.369 20 10 DGCDLO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1O ZINC000756536937 621645941 /nfs/dbraw/zinc/64/59/41/621645941.db2.gz XINVFMYAPQVYJR-SNVBAGLBSA-N 1 2 322.311 3.472 20 10 DGCDLO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(F)cc(F)c1O ZINC000756603777 621652356 /nfs/dbraw/zinc/65/23/56/621652356.db2.gz KWGWBVKZRQJPMP-PSLIRLAXSA-N 1 2 313.369 3.290 20 10 DGCDLO CC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756657657 621656563 /nfs/dbraw/zinc/65/65/63/621656563.db2.gz FAECDOMEWUBJJE-IUCAKERBSA-N 1 2 320.202 3.105 20 10 DGCDLO C[C@H]([NH2+][C@H]1CCSC1)c1cc(Br)c(F)cc1O ZINC000756734147 621661483 /nfs/dbraw/zinc/66/14/83/621661483.db2.gz UXXAKLGRPUTGIZ-YUMQZZPRSA-N 1 2 320.227 3.450 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc(F)cc(F)c1O ZINC000756787780 621664956 /nfs/dbraw/zinc/66/49/56/621664956.db2.gz RTODRVPFEFIGSK-JQWIXIFHSA-N 1 2 313.344 3.007 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cc(Br)cc(F)c1O ZINC000757659035 621732150 /nfs/dbraw/zinc/73/21/50/621732150.db2.gz XGWXQKNRNPXZSQ-XHNCKOQMSA-N 1 2 320.202 3.104 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000866218645 622068479 /nfs/dbraw/zinc/06/84/79/622068479.db2.gz UXLIISBHLLJVOS-WMZOPIPTSA-N 1 2 300.377 3.314 20 10 DGCDLO C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000763613052 622155266 /nfs/dbraw/zinc/15/52/66/622155266.db2.gz JNHMNWZASQGVPY-ZDUSSCGKSA-N 1 2 300.805 3.101 20 10 DGCDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000121633915 622167591 /nfs/dbraw/zinc/16/75/91/622167591.db2.gz NSWZONTZPVEYLD-GFCCVEGCSA-N 1 2 323.433 3.167 20 10 DGCDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000121633915 622167593 /nfs/dbraw/zinc/16/75/93/622167593.db2.gz NSWZONTZPVEYLD-GFCCVEGCSA-N 1 2 323.433 3.167 20 10 DGCDLO Nc1nc(NCc2ccc(N3CCCC3)cc2)[nH+]c2ccccc12 ZINC000764115410 622180205 /nfs/dbraw/zinc/18/02/05/622180205.db2.gz RJQDBMUCYGFMAI-UHFFFAOYSA-N 1 2 319.412 3.424 20 10 DGCDLO Cc1nc(NCc2cccc(Br)c2O)c(C)c(C)[nH+]1 ZINC000764933515 622234118 /nfs/dbraw/zinc/23/41/18/622234118.db2.gz DYFVIWCYFSNENN-UHFFFAOYSA-N 1 2 322.206 3.482 20 10 DGCDLO COc1ccc(-n2c(C)cc(C[N@H+](C)Cc3cc[nH]n3)c2C)cc1 ZINC000769385243 622523452 /nfs/dbraw/zinc/52/34/52/622523452.db2.gz UMHYMHJHMAOBRF-UHFFFAOYSA-N 1 2 324.428 3.458 20 10 DGCDLO COc1ccc(-n2c(C)cc(C[N@@H+](C)Cc3cc[nH]n3)c2C)cc1 ZINC000769385243 622523454 /nfs/dbraw/zinc/52/34/54/622523454.db2.gz UMHYMHJHMAOBRF-UHFFFAOYSA-N 1 2 324.428 3.458 20 10 DGCDLO Cc1cc(Br)cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1O ZINC000124498090 623127546 /nfs/dbraw/zinc/12/75/46/623127546.db2.gz DAEITPCETJIOSP-QWRGUYRKSA-N 1 2 314.223 3.072 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000124524721 623153469 /nfs/dbraw/zinc/15/34/69/623153469.db2.gz YEMVUXDHQJZTHY-CYBMUJFWSA-N 1 2 314.223 3.074 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000124524721 623153472 /nfs/dbraw/zinc/15/34/72/623153472.db2.gz YEMVUXDHQJZTHY-CYBMUJFWSA-N 1 2 314.223 3.074 20 10 DGCDLO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1nccs1 ZINC000775025748 623217541 /nfs/dbraw/zinc/21/75/41/623217541.db2.gz WFNCOTDPSHOVAA-JTQLQIEISA-N 1 2 323.374 3.006 20 10 DGCDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cccc(Cl)c1O ZINC000775643013 623300439 /nfs/dbraw/zinc/30/04/39/623300439.db2.gz KYUHTGLQLSGSKA-UHFFFAOYSA-N 1 2 319.788 3.449 20 10 DGCDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cccc(Cl)c1O ZINC000775643013 623300445 /nfs/dbraw/zinc/30/04/45/623300445.db2.gz KYUHTGLQLSGSKA-UHFFFAOYSA-N 1 2 319.788 3.449 20 10 DGCDLO CCN(CC)C(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775665136 623308634 /nfs/dbraw/zinc/30/86/34/623308634.db2.gz YSQRUUXOQRGVPB-UHFFFAOYSA-N 1 2 324.852 3.126 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)[C@H](CC)CN1C(C)=O ZINC000775720273 623318184 /nfs/dbraw/zinc/31/81/84/623318184.db2.gz KPMKHXMBXUQURR-HUUCEWRRSA-N 1 2 324.852 3.267 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)[C@H](CC)CN1C(C)=O ZINC000775720273 623318186 /nfs/dbraw/zinc/31/81/86/623318186.db2.gz KPMKHXMBXUQURR-HUUCEWRRSA-N 1 2 324.852 3.267 20 10 DGCDLO CCOc1ccc(O)c(CNc2ccc(N3CCCC3)c[nH+]2)c1 ZINC000776036635 623368190 /nfs/dbraw/zinc/36/81/90/623368190.db2.gz OWFBGNNXVXDBDQ-UHFFFAOYSA-N 1 2 313.401 3.398 20 10 DGCDLO OCC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000776208778 623397051 /nfs/dbraw/zinc/39/70/51/623397051.db2.gz DPWKZYBDQSWPMR-OAHLLOKOSA-N 1 2 309.768 3.398 20 10 DGCDLO COC(=O)CC1([NH2+]Cc2cccc(Cl)c2O)CCCCC1 ZINC000779431642 623769336 /nfs/dbraw/zinc/76/93/36/623769336.db2.gz ALCIGGWFQNVBHT-UHFFFAOYSA-N 1 2 311.809 3.401 20 10 DGCDLO Cc1ccc(C[N@@H+]2CCSC[C@@H]2c2nccs2)c(O)c1 ZINC000877404350 623870925 /nfs/dbraw/zinc/87/09/25/623870925.db2.gz CIAZEIVQNWKWFX-CYBMUJFWSA-N 1 2 306.456 3.447 20 10 DGCDLO Cc1ccc(C[N@H+]2CCSC[C@@H]2c2nccs2)c(O)c1 ZINC000877404350 623870928 /nfs/dbraw/zinc/87/09/28/623870928.db2.gz CIAZEIVQNWKWFX-CYBMUJFWSA-N 1 2 306.456 3.447 20 10 DGCDLO C[C@H](O)[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccccc1F ZINC000877611750 623962375 /nfs/dbraw/zinc/96/23/75/623962375.db2.gz ZAXYVPRNGBDDCP-VFZGTOFNSA-N 1 2 311.303 3.021 20 10 DGCDLO C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)CC1(C)OCCO1 ZINC000877670669 623985094 /nfs/dbraw/zinc/98/50/94/623985094.db2.gz UPUTWHDMQWVSGT-SNVBAGLBSA-N 1 2 317.788 3.064 20 10 DGCDLO CN(Cc1c[nH+]cn1Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000782522820 624259645 /nfs/dbraw/zinc/25/96/45/624259645.db2.gz KBRLBIMVYXQARH-UHFFFAOYSA-N 1 2 321.380 3.297 20 10 DGCDLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000790934592 625717787 /nfs/dbraw/zinc/71/77/87/625717787.db2.gz NRZXYHORKYGJCC-GWCFXTLKSA-N 1 2 301.789 3.310 20 10 DGCDLO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000790934592 625717795 /nfs/dbraw/zinc/71/77/95/625717795.db2.gz NRZXYHORKYGJCC-GWCFXTLKSA-N 1 2 301.789 3.310 20 10 DGCDLO CC[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cccc(Cl)c1O ZINC000806150260 624915077 /nfs/dbraw/zinc/91/50/77/624915077.db2.gz OMHJJJYEJCHRBC-CQSZACIVSA-N 1 2 320.824 3.143 20 10 DGCDLO CO[C@H](CC[NH2+]Cc1cc(Cl)cc(F)c1O)C(F)(F)F ZINC000787416470 625008629 /nfs/dbraw/zinc/00/86/29/625008629.db2.gz DRMBUEPBDAQDTD-SNVBAGLBSA-N 1 2 315.694 3.242 20 10 DGCDLO Cc1cc(C)c([C@@H](C)Nc2ccc(N(C)CCO)c[nH+]2)c(O)c1 ZINC000788704161 625248750 /nfs/dbraw/zinc/24/87/50/625248750.db2.gz NBEFUTKTFKEZAV-CQSZACIVSA-N 1 2 315.417 3.006 20 10 DGCDLO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000882910148 625855010 /nfs/dbraw/zinc/85/50/10/625855010.db2.gz LRUFLTROQUFBNG-AWEZNQCLSA-N 1 2 309.360 3.071 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000792174387 625919102 /nfs/dbraw/zinc/91/91/02/625919102.db2.gz UUEUOABRFBZIGP-MRVPVSSYSA-N 1 2 309.715 3.388 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000792174387 625919109 /nfs/dbraw/zinc/91/91/09/625919109.db2.gz UUEUOABRFBZIGP-MRVPVSSYSA-N 1 2 309.715 3.388 20 10 DGCDLO C[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1cc(F)cc(F)c1O ZINC000883312056 626642297 /nfs/dbraw/zinc/64/22/97/626642297.db2.gz SEOUAYOMPMHDQW-SNVBAGLBSA-N 1 2 305.328 3.190 20 10 DGCDLO CC[C@@H]([NH2+][C@H](C)COCCOC)c1cccc(Cl)c1O ZINC000806147961 626702632 /nfs/dbraw/zinc/70/26/32/626702632.db2.gz PBCKNCDBMREDMW-BXUZGUMPSA-N 1 2 301.814 3.138 20 10 DGCDLO CCNC(=O)C(C)(C)C[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000806156017 626703056 /nfs/dbraw/zinc/70/30/56/626703056.db2.gz XXHHQSSSOVLZLB-CYBMUJFWSA-N 1 2 312.841 3.249 20 10 DGCDLO CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000808732916 626856000 /nfs/dbraw/zinc/85/60/00/626856000.db2.gz PAXWTPNVXVMLJS-NWDGAFQWSA-N 1 2 300.393 3.441 20 10 DGCDLO C[C@@H](CO)[N@@H+](Cc1cc(Cl)cc(F)c1O)CC1CCC1 ZINC000809665514 626934656 /nfs/dbraw/zinc/93/46/56/626934656.db2.gz VGOADMBQXFPUON-JTQLQIEISA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@@H](CO)[N@H+](Cc1cc(Cl)cc(F)c1O)CC1CCC1 ZINC000809665514 626934658 /nfs/dbraw/zinc/93/46/58/626934658.db2.gz VGOADMBQXFPUON-JTQLQIEISA-N 1 2 301.789 3.168 20 10 DGCDLO C[S@@](=O)Cc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000809718387 626941048 /nfs/dbraw/zinc/94/10/48/626941048.db2.gz JFVVZYCUTSOPIG-OAQYLSRUSA-N 1 2 323.845 3.214 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000809747075 626946024 /nfs/dbraw/zinc/94/60/24/626946024.db2.gz IDFVDHKZXFFUFM-HNNXBMFYSA-N 1 2 309.768 3.398 20 10 DGCDLO CC[C@@H]([NH2+][C@H](CCOC)COC)c1cccc(Cl)c1O ZINC000810257998 626993866 /nfs/dbraw/zinc/99/38/66/626993866.db2.gz XUZVCHHPLSZKOC-BXUZGUMPSA-N 1 2 301.814 3.138 20 10 DGCDLO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1c(O)cccc1F ZINC000886547886 627160857 /nfs/dbraw/zinc/16/08/57/627160857.db2.gz SZDWDYZZULCIBA-TVQRCGJNSA-N 1 2 311.303 3.194 20 10 DGCDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)c2c(O)cccc2F)s1 ZINC000886629539 627176665 /nfs/dbraw/zinc/17/66/65/627176665.db2.gz HRWDXTVXBZMKQD-IUCAKERBSA-N 1 2 324.377 3.186 20 10 DGCDLO Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)OC[C@@H]2C)ccc1N(C)C ZINC000815116357 627629214 /nfs/dbraw/zinc/62/92/14/627629214.db2.gz KFYPVJSQTMTCSA-SWLSCSKDSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)OC[C@@H]2C)ccc1N(C)C ZINC000815116357 627629218 /nfs/dbraw/zinc/62/92/18/627629218.db2.gz KFYPVJSQTMTCSA-SWLSCSKDSA-N 1 2 316.367 3.213 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ncco1 ZINC000924705369 627670864 /nfs/dbraw/zinc/67/08/64/627670864.db2.gz BAVKHKXZGAJFNU-CYBMUJFWSA-N 1 2 303.431 3.079 20 10 DGCDLO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)c1 ZINC000815657536 627695756 /nfs/dbraw/zinc/69/57/56/627695756.db2.gz ASYJECVOZNDWBH-CQSZACIVSA-N 1 2 308.385 3.132 20 10 DGCDLO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)c1 ZINC000815657535 627695920 /nfs/dbraw/zinc/69/59/20/627695920.db2.gz ASYJECVOZNDWBH-AWEZNQCLSA-N 1 2 308.385 3.132 20 10 DGCDLO Oc1c(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)ccc2ccccc21 ZINC000816513780 627798952 /nfs/dbraw/zinc/79/89/52/627798952.db2.gz BKOUKNGAHJGBDK-CQSZACIVSA-N 1 2 311.303 3.309 20 10 DGCDLO Oc1c(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)ccc2ccccc21 ZINC000816513780 627798955 /nfs/dbraw/zinc/79/89/55/627798955.db2.gz BKOUKNGAHJGBDK-CQSZACIVSA-N 1 2 311.303 3.309 20 10 DGCDLO CC(C)(C)[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816594506 627812211 /nfs/dbraw/zinc/81/22/11/627812211.db2.gz GWULVUXGTMZMOV-CQSZACIVSA-N 1 2 301.789 3.432 20 10 DGCDLO CC(C)(C)[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816594506 627812212 /nfs/dbraw/zinc/81/22/12/627812212.db2.gz GWULVUXGTMZMOV-CQSZACIVSA-N 1 2 301.789 3.432 20 10 DGCDLO CC(C)(C)[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816594505 627812598 /nfs/dbraw/zinc/81/25/98/627812598.db2.gz GWULVUXGTMZMOV-AWEZNQCLSA-N 1 2 301.789 3.432 20 10 DGCDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000816594505 627812603 /nfs/dbraw/zinc/81/26/03/627812603.db2.gz GWULVUXGTMZMOV-AWEZNQCLSA-N 1 2 301.789 3.432 20 10 DGCDLO CC1(C)C[N@H+](Cc2cc(F)ccc2O)C[C@@](C)(C(F)(F)F)O1 ZINC000816643126 627817732 /nfs/dbraw/zinc/81/77/32/627817732.db2.gz WAFLDOGEQBLFTE-AWEZNQCLSA-N 1 2 321.314 3.463 20 10 DGCDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2O)C[C@@](C)(C(F)(F)F)O1 ZINC000816643126 627817734 /nfs/dbraw/zinc/81/77/34/627817734.db2.gz WAFLDOGEQBLFTE-AWEZNQCLSA-N 1 2 321.314 3.463 20 10 DGCDLO OC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)C1CCCCC1 ZINC000816649535 627819864 /nfs/dbraw/zinc/81/98/64/627819864.db2.gz BEABRDPSDXYXGM-CYBMUJFWSA-N 1 2 315.816 3.463 20 10 DGCDLO CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(F)cc1[O-] ZINC000817942027 627968426 /nfs/dbraw/zinc/96/84/26/627968426.db2.gz XBNRZFGILVDEAG-KRWDZBQOSA-N 1 2 317.408 3.147 20 10 DGCDLO Cc1cc(O)c(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1Cl ZINC000824555678 628670864 /nfs/dbraw/zinc/67/08/64/628670864.db2.gz HZVISIWOJKUNRN-UHFFFAOYSA-N 1 2 324.852 3.044 20 10 DGCDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](F)C2)ccc1N1CCCCC1 ZINC000824572227 628672556 /nfs/dbraw/zinc/67/25/56/628672556.db2.gz VMLYSYWZZUOUIX-AWEZNQCLSA-N 1 2 307.369 3.129 20 10 DGCDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](F)C2)ccc1N1CCCCC1 ZINC000824572227 628672559 /nfs/dbraw/zinc/67/25/59/628672559.db2.gz VMLYSYWZZUOUIX-AWEZNQCLSA-N 1 2 307.369 3.129 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824716377 628687141 /nfs/dbraw/zinc/68/71/41/628687141.db2.gz SZMAHFNHAMQRBC-NWANDNLSSA-N 1 2 313.800 3.310 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824716377 628687142 /nfs/dbraw/zinc/68/71/42/628687142.db2.gz SZMAHFNHAMQRBC-NWANDNLSSA-N 1 2 313.800 3.310 20 10 DGCDLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)c2nccn21 ZINC000825017676 628716776 /nfs/dbraw/zinc/71/67/76/628716776.db2.gz XDBWVJZTRWCUSP-BXKDBHETSA-N 1 2 322.206 3.147 20 10 DGCDLO c1n[nH]c2c1C[N@H+](Cc1ccc(N3CCCCC3)cc1)CCC2 ZINC000828013733 629013990 /nfs/dbraw/zinc/01/39/90/629013990.db2.gz IVKAOBCBZGKBSD-UHFFFAOYSA-N 1 2 310.445 3.348 20 10 DGCDLO c1n[nH]c2c1C[N@@H+](Cc1ccc(N3CCCCC3)cc1)CCC2 ZINC000828013733 629013992 /nfs/dbraw/zinc/01/39/92/629013992.db2.gz IVKAOBCBZGKBSD-UHFFFAOYSA-N 1 2 310.445 3.348 20 10 DGCDLO CC[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cccc(Cl)c1O ZINC000834896561 629801234 /nfs/dbraw/zinc/80/12/34/629801234.db2.gz LEFLXPKFCXJCJS-XHDPSFHLSA-N 1 2 307.825 3.451 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1nccn1C(F)F ZINC000840909648 630376245 /nfs/dbraw/zinc/37/62/45/630376245.db2.gz GBSCSRJEIYRCPG-UHFFFAOYSA-N 1 2 308.376 3.285 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1nccn1C(F)F ZINC000840909648 630376246 /nfs/dbraw/zinc/37/62/46/630376246.db2.gz GBSCSRJEIYRCPG-UHFFFAOYSA-N 1 2 308.376 3.285 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000841069472 630404312 /nfs/dbraw/zinc/40/43/12/630404312.db2.gz XHBSSUAZJCSNPO-INIZCTEOSA-N 1 2 320.795 3.161 20 10 DGCDLO Oc1c(F)cc(Cl)cc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843044486 630607469 /nfs/dbraw/zinc/60/74/69/630607469.db2.gz DGPASMZFXSLUAS-IAQYHMDHSA-N 1 2 312.816 3.149 20 10 DGCDLO Nc1ccc(CN2CCCc3cc(OC(F)F)ccc32)c[nH+]1 ZINC000843070525 630611140 /nfs/dbraw/zinc/61/11/40/630611140.db2.gz VENFVOKIIHFWBW-UHFFFAOYSA-N 1 2 305.328 3.218 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cc(F)cc(F)c1O ZINC000844920867 630982694 /nfs/dbraw/zinc/98/26/94/630982694.db2.gz NQVCRIWQRDKKSU-MFKMUULPSA-N 1 2 304.340 3.358 20 10 DGCDLO COc1cc(C[N@H+](C)Cc2nc(C)no2)c(O)c(C(C)(C)C)c1 ZINC000848503370 631671073 /nfs/dbraw/zinc/67/10/73/631671073.db2.gz CBJTYEJYMOTTLF-UHFFFAOYSA-N 1 2 319.405 3.022 20 10 DGCDLO COc1cc(C[N@@H+](C)Cc2nc(C)no2)c(O)c(C(C)(C)C)c1 ZINC000848503370 631671074 /nfs/dbraw/zinc/67/10/74/631671074.db2.gz CBJTYEJYMOTTLF-UHFFFAOYSA-N 1 2 319.405 3.022 20 10 DGCDLO CCc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)OC[C@@H]2C)c1O ZINC000848910151 631783354 /nfs/dbraw/zinc/78/33/54/631783354.db2.gz HJLYIEHNGQMZRY-GXFFZTMASA-N 1 2 303.324 3.106 20 10 DGCDLO CCc1cccc(C[N@H+]2C[C@H](C(F)(F)F)OC[C@@H]2C)c1O ZINC000848910151 631783357 /nfs/dbraw/zinc/78/33/57/631783357.db2.gz HJLYIEHNGQMZRY-GXFFZTMASA-N 1 2 303.324 3.106 20 10 DGCDLO CCc1cccc(C[N@H+](C)Cc2csc(C(C)(C)O)n2)c1O ZINC000848915050 631785449 /nfs/dbraw/zinc/78/54/49/631785449.db2.gz RHEZAKLHFDMGMJ-UHFFFAOYSA-N 1 2 320.458 3.271 20 10 DGCDLO CCc1cccc(C[N@@H+](C)Cc2csc(C(C)(C)O)n2)c1O ZINC000848915050 631785456 /nfs/dbraw/zinc/78/54/56/631785456.db2.gz RHEZAKLHFDMGMJ-UHFFFAOYSA-N 1 2 320.458 3.271 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848927827 631790746 /nfs/dbraw/zinc/79/07/46/631790746.db2.gz OIOMPURRZWRXIO-HUUCEWRRSA-N 1 2 312.816 3.291 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848927253 631790786 /nfs/dbraw/zinc/79/07/86/631790786.db2.gz DHYZRIGEKSNBJK-CABCVRRESA-N 1 2 312.816 3.291 20 10 DGCDLO C[C@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000850544116 632188272 /nfs/dbraw/zinc/18/82/72/632188272.db2.gz TUPRETARZZTSTJ-OLZOCXBDSA-N 1 2 312.404 3.441 20 10 DGCDLO CC[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792789113 660984640 /nfs/dbraw/zinc/98/46/40/660984640.db2.gz UYOHZQIRBUOFFN-ZDUSSCGKSA-N 1 2 316.367 3.382 20 10 DGCDLO CC[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792789113 660984642 /nfs/dbraw/zinc/98/46/42/660984642.db2.gz UYOHZQIRBUOFFN-ZDUSSCGKSA-N 1 2 316.367 3.382 20 10 DGCDLO Cc1cc(C[N@H+](Cc2ccco2)Cc2ccccc2O)ncn1 ZINC000794410796 661083333 /nfs/dbraw/zinc/08/33/33/661083333.db2.gz HTSAUQAHHAEXCV-UHFFFAOYSA-N 1 2 309.369 3.286 20 10 DGCDLO Cc1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)ncn1 ZINC000794410796 661083336 /nfs/dbraw/zinc/08/33/36/661083336.db2.gz HTSAUQAHHAEXCV-UHFFFAOYSA-N 1 2 309.369 3.286 20 10 DGCDLO CC[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccc(C)cc1O ZINC000794811793 661106739 /nfs/dbraw/zinc/10/67/39/661106739.db2.gz HYDCHTFQNGOWJF-MRXNPFEDSA-N 1 2 315.417 3.087 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2C[C@@H](C(F)(F)F)OC[C@@H]2C)cc1C ZINC000795694937 661168180 /nfs/dbraw/zinc/16/81/80/661168180.db2.gz UVZWEHBFNRMBSA-FZMZJTMJSA-N 1 2 303.324 3.161 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2C[C@@H](C(F)(F)F)OC[C@@H]2C)cc1C ZINC000795694937 661168182 /nfs/dbraw/zinc/16/81/82/661168182.db2.gz UVZWEHBFNRMBSA-FZMZJTMJSA-N 1 2 303.324 3.161 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000187705671 655727207 /nfs/dbraw/zinc/72/72/07/655727207.db2.gz WFLQJLYTSZCJQL-SFHVURJKSA-N 1 2 324.403 3.494 20 10 DGCDLO CC[C@H](CSC)[NH2+]Cc1cccc(Br)c1O ZINC000162160539 655965455 /nfs/dbraw/zinc/96/54/55/655965455.db2.gz NXGMQAKCDFWVRV-SNVBAGLBSA-N 1 2 304.253 3.386 20 10 DGCDLO CSC[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715747596 661214136 /nfs/dbraw/zinc/21/41/36/661214136.db2.gz XEVODYDQVJQBBC-SSDOTTSWSA-N 1 2 308.216 3.135 20 10 DGCDLO CSC[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715747598 661213924 /nfs/dbraw/zinc/21/39/24/661213924.db2.gz XEVODYDQVJQBBC-ZETCQYMHSA-N 1 2 308.216 3.135 20 10 DGCDLO COCCCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715746540 661214096 /nfs/dbraw/zinc/21/40/96/661214096.db2.gz RADMBMDHRJXTGY-UHFFFAOYSA-N 1 2 320.202 3.200 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+]C1CCSCC1 ZINC000715788849 661214493 /nfs/dbraw/zinc/21/44/93/661214493.db2.gz MOMCXLHLEGEWIQ-UHFFFAOYSA-N 1 2 320.227 3.279 20 10 DGCDLO CCc1ccc([C@@H]2COCC[N@@H+]2Cc2cccc(C)c2O)o1 ZINC000180289362 656092068 /nfs/dbraw/zinc/09/20/68/656092068.db2.gz YZZHKDLCFIHFMH-INIZCTEOSA-N 1 2 301.386 3.430 20 10 DGCDLO CCc1ccc([C@@H]2COCC[N@H+]2Cc2cccc(C)c2O)o1 ZINC000180289362 656092072 /nfs/dbraw/zinc/09/20/72/656092072.db2.gz YZZHKDLCFIHFMH-INIZCTEOSA-N 1 2 301.386 3.430 20 10 DGCDLO COc1ccc2c(c1)CCCC[N@H+]2CCCCCNC(C)=O ZINC000930142082 661263146 /nfs/dbraw/zinc/26/31/46/661263146.db2.gz HOYRSEUIBRGRDA-UHFFFAOYSA-N 1 2 304.434 3.144 20 10 DGCDLO COc1ccc2c(c1)CCCC[N@@H+]2CCCCCNC(C)=O ZINC000930142082 661263148 /nfs/dbraw/zinc/26/31/48/661263148.db2.gz HOYRSEUIBRGRDA-UHFFFAOYSA-N 1 2 304.434 3.144 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]CCc1ccccc1 ZINC000042411654 658772397 /nfs/dbraw/zinc/77/23/97/658772397.db2.gz CUKCXWZLJCTVAD-UHFFFAOYSA-N 1 2 306.203 3.487 20 10 DGCDLO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(Cl)c1O ZINC000158118088 659145208 /nfs/dbraw/zinc/14/52/08/659145208.db2.gz PWAAGNGBALZIFC-CQSZACIVSA-N 1 2 307.825 3.447 20 10 DGCDLO CCOC(=O)C[N@H+](CC)Cc1ccc(N2CCCCC2)cc1 ZINC000092399441 659542413 /nfs/dbraw/zinc/54/24/13/659542413.db2.gz WZKQNPRCQSPFTH-UHFFFAOYSA-N 1 2 304.434 3.062 20 10 DGCDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(N2CCCCC2)cc1 ZINC000092399441 659542418 /nfs/dbraw/zinc/54/24/18/659542418.db2.gz WZKQNPRCQSPFTH-UHFFFAOYSA-N 1 2 304.434 3.062 20 10 DGCDLO C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)[C@H]1C[NH3+] ZINC000252101688 660010479 /nfs/dbraw/zinc/01/04/79/660010479.db2.gz GJHIXPPGJTXDGU-RNCFNFMXSA-N 1 2 303.233 3.258 20 10 DGCDLO C[C@H](C[NH2+]Cc1cccc(Cl)c1O)NC(=O)OC(C)(C)C ZINC000192691363 662108235 /nfs/dbraw/zinc/10/82/35/662108235.db2.gz IECGZIVAUXNDRP-SNVBAGLBSA-N 1 2 314.813 3.048 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1O ZINC000385018924 685172645 /nfs/dbraw/zinc/17/26/45/685172645.db2.gz UWBBFLJZHXRONP-CABCVRRESA-N 1 2 323.820 3.105 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1O ZINC000385018924 685172650 /nfs/dbraw/zinc/17/26/50/685172650.db2.gz UWBBFLJZHXRONP-CABCVRRESA-N 1 2 323.820 3.105 20 10 DGCDLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CS1 ZINC000397957500 685233795 /nfs/dbraw/zinc/23/37/95/685233795.db2.gz ZVAHSWBVYLVEAB-PSASIEDQSA-N 1 2 302.237 3.138 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C1(Cc2cn[nH]n2)CCCCC1 ZINC001578050837 1191921139 /nfs/dbraw/zinc/92/11/39/1191921139.db2.gz GIKSYZYDBZFCHF-UHFFFAOYSA-N 1 2 320.824 3.199 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC001620706595 1192071117 /nfs/dbraw/zinc/07/11/17/1192071117.db2.gz PTCMWEYMDSNMHU-UHFFFAOYSA-N 1 2 323.751 3.246 20 10 DGCDLO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O ZINC001592259268 1192605745 /nfs/dbraw/zinc/60/57/45/1192605745.db2.gz KPOBGAYPDFFRNW-OLZOCXBDSA-N 1 2 323.400 3.293 20 10 DGCDLO Cn1c2ccc(F)cc2[nH+]c1NCc1cc(F)cc(F)c1O ZINC001461830762 1182865461 /nfs/dbraw/zinc/86/54/61/1182865461.db2.gz OQXMPKKXDQJBQS-UHFFFAOYSA-N 1 2 307.275 3.308 20 10 DGCDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc(F)c(F)cc1O)CC2 ZINC001461977873 1182890070 /nfs/dbraw/zinc/89/00/70/1182890070.db2.gz SXWPQORNCYVJLE-UHFFFAOYSA-N 1 2 320.295 3.137 20 10 DGCDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cc(F)c(F)cc1O)CC2 ZINC001461977873 1182890075 /nfs/dbraw/zinc/89/00/75/1182890075.db2.gz SXWPQORNCYVJLE-UHFFFAOYSA-N 1 2 320.295 3.137 20 10 DGCDLO COCCn1c2ccccc2[nH+]c1NCc1cccc(F)c1O ZINC001462656807 1182980959 /nfs/dbraw/zinc/98/09/59/1182980959.db2.gz RRGZLZRVPJJNIT-UHFFFAOYSA-N 1 2 315.348 3.140 20 10 DGCDLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1O ZINC001471195644 1183545534 /nfs/dbraw/zinc/54/55/34/1183545534.db2.gz JTWKNENFISERQD-CQSZACIVSA-N 1 2 321.380 3.128 20 10 DGCDLO CCc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)nc(CC)[nH+]1 ZINC001472754778 1183677078 /nfs/dbraw/zinc/67/70/78/1183677078.db2.gz AJYYDYWBUKLUAW-LLVKDONJSA-N 1 2 301.390 3.056 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@]23CCOC3)c1O ZINC001560233163 1189295816 /nfs/dbraw/zinc/29/58/16/1189295816.db2.gz SVLBEPFLFXJSLA-KRWDZBQOSA-N 1 2 323.820 3.393 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@]23CCOC3)c1O ZINC001560233163 1189295818 /nfs/dbraw/zinc/29/58/18/1189295818.db2.gz SVLBEPFLFXJSLA-KRWDZBQOSA-N 1 2 323.820 3.393 20 10 DGCDLO CCOC(=O)C[N@H+](CC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001560679241 1189359036 /nfs/dbraw/zinc/35/90/36/1189359036.db2.gz GZYHAOYFQFMSEM-UHFFFAOYSA-N 1 2 323.433 3.083 20 10 DGCDLO CCOC(=O)C[N@@H+](CC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001560679241 1189359039 /nfs/dbraw/zinc/35/90/39/1189359039.db2.gz GZYHAOYFQFMSEM-UHFFFAOYSA-N 1 2 323.433 3.083 20 10 DGCDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@](C)(C(F)F)O1 ZINC001560938365 1189408915 /nfs/dbraw/zinc/40/89/15/1189408915.db2.gz CLYPNVZPGQAPQU-XPTSAGLGSA-N 1 2 305.752 3.290 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@@](C)(C(F)F)O1 ZINC001560938365 1189408917 /nfs/dbraw/zinc/40/89/17/1189408917.db2.gz CLYPNVZPGQAPQU-XPTSAGLGSA-N 1 2 305.752 3.290 20 10 DGCDLO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001620717009 1193794134 /nfs/dbraw/zinc/79/41/34/1193794134.db2.gz JKJKFDHWABYSEO-ZDUSSCGKSA-N 1 2 309.772 3.085 20 10 DGCDLO CC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCCC1 ZINC001648775587 1195330434 /nfs/dbraw/zinc/33/04/34/1195330434.db2.gz RXLVODXHHIWLOI-ZDUSSCGKSA-N 1 2 300.805 3.149 20 10 DGCDLO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001651326122 1195444363 /nfs/dbraw/zinc/44/43/63/1195444363.db2.gz XIPFGZJFJFJFIE-GFCCVEGCSA-N 1 2 314.832 3.395 20 10 DGCDLO CCC[N@H+](Cc1n[nH]cc1Br)Cc1ccccc1O ZINC001651929480 1195525459 /nfs/dbraw/zinc/52/54/59/1195525459.db2.gz MKPAEAXKZFUYFT-UHFFFAOYSA-N 1 2 324.222 3.290 20 10 DGCDLO CCC[N@@H+](Cc1n[nH]cc1Br)Cc1ccccc1O ZINC001651929480 1195525463 /nfs/dbraw/zinc/52/54/63/1195525463.db2.gz MKPAEAXKZFUYFT-UHFFFAOYSA-N 1 2 324.222 3.290 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC001653078446 1195686753 /nfs/dbraw/zinc/68/67/53/1195686753.db2.gz AQMULFRBRAGGCZ-UHFFFAOYSA-N 1 2 310.369 3.296 20 10 DGCDLO COC(=O)c1ccccc1CC[NH2+]Cc1cccc(Cl)c1O ZINC001653151783 1195692773 /nfs/dbraw/zinc/69/27/73/1195692773.db2.gz AYCKUEGNIRYTSK-UHFFFAOYSA-N 1 2 319.788 3.165 20 10 DGCDLO COc1ccc(C[NH2+]Cc2nnc(-c3ccccc3)[nH]2)cc1C ZINC001655611365 1195940391 /nfs/dbraw/zinc/94/03/91/1195940391.db2.gz HALNBAGBKOQQRU-UHFFFAOYSA-N 1 2 308.385 3.079 20 10 DGCDLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001655750688 1195959747 /nfs/dbraw/zinc/95/97/47/1195959747.db2.gz CKECBFGTLZNVKZ-GFCCVEGCSA-N 1 2 315.797 3.378 20 10 DGCDLO Cc1ccsc1[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001655750689 1195960256 /nfs/dbraw/zinc/96/02/56/1195960256.db2.gz CKECBFGTLZNVKZ-LBPRGKRZSA-N 1 2 315.797 3.378 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCOc1ccc(F)cc1 ZINC001656037187 1195990239 /nfs/dbraw/zinc/99/02/39/1195990239.db2.gz PXQAHUFHEZRESD-UHFFFAOYSA-N 1 2 313.731 3.492 20 10 DGCDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001657859370 1196186910 /nfs/dbraw/zinc/18/69/10/1196186910.db2.gz ASGUKLQPTBOAAT-IJVDXJMESA-N 1 2 316.445 3.039 20 10 DGCDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC001657859370 1196186914 /nfs/dbraw/zinc/18/69/14/1196186914.db2.gz ASGUKLQPTBOAAT-IJVDXJMESA-N 1 2 316.445 3.039 20 10 DGCDLO CN(C)C(=O)c1ccccc1C[NH2+]Cc1cccc(Cl)c1O ZINC001659077324 1196342063 /nfs/dbraw/zinc/34/20/63/1196342063.db2.gz NCVXAHRTWGCCEC-UHFFFAOYSA-N 1 2 318.804 3.037 20 10 DGCDLO C[C@@H]1CCC[C@](C[NH2+]Cc2cc(F)cc(F)c2O)(N(C)C)C1 ZINC001661084463 1196563304 /nfs/dbraw/zinc/56/33/04/1196563304.db2.gz WDHRJTIBOUDSGC-PXAZEXFGSA-N 1 2 312.404 3.271 20 10 DGCDLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC001663302505 1196830133 /nfs/dbraw/zinc/83/01/33/1196830133.db2.gz RHXVKNRCSPSLOW-DRYIUFOISA-N 1 2 314.198 3.428 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c1 ZINC001236662244 1099729502 /nfs/dbraw/zinc/72/95/02/1099729502.db2.gz AXSKPFDVECOTCC-SKDRFNHKSA-N 1 2 302.187 3.253 20 10 DGCDLO Cc1[nH+]c(C(C)(C)C)nc(NCc2ccc(O)c(O)c2)c1C ZINC001169993304 1081805468 /nfs/dbraw/zinc/80/54/68/1081805468.db2.gz SOMZQKPEGIYASJ-UHFFFAOYSA-N 1 2 301.390 3.414 20 10 DGCDLO CC[NH+](CC)CCN(C)Cc1cc(Cl)cc(Cl)c1O ZINC001203572078 1083978136 /nfs/dbraw/zinc/97/81/36/1083978136.db2.gz VQZXCFWKBXBNBD-UHFFFAOYSA-N 1 2 305.249 3.473 20 10 DGCDLO Cc1cc(O)c(C[NH+]2CC(O)(c3ccc(F)cc3)C2)cc1Cl ZINC001183651323 1083990952 /nfs/dbraw/zinc/99/09/52/1083990952.db2.gz BDHUUDDZIARUSX-UHFFFAOYSA-N 1 2 321.779 3.197 20 10 DGCDLO C[N@@H+]1C[C@H]2CCCN(Cc3cc(Cl)cc(Cl)c3O)[C@@H]2C1 ZINC001203579704 1084071764 /nfs/dbraw/zinc/07/17/64/1084071764.db2.gz CBBHWVPWDBSEHH-QMTHXVAHSA-N 1 2 315.244 3.225 20 10 DGCDLO C[N@H+]1C[C@H]2CCCN(Cc3cc(Cl)cc(Cl)c3O)[C@@H]2C1 ZINC001203579704 1084071768 /nfs/dbraw/zinc/07/17/68/1084071768.db2.gz CBBHWVPWDBSEHH-QMTHXVAHSA-N 1 2 315.244 3.225 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2cc(F)c(F)cc2O)c(OC)c1 ZINC001142524630 1087276865 /nfs/dbraw/zinc/27/68/65/1087276865.db2.gz DYCSRITYHKKXNM-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2cc(F)c(F)cc2O)c(OC)c1 ZINC001142524630 1087276869 /nfs/dbraw/zinc/27/68/69/1087276869.db2.gz DYCSRITYHKKXNM-UHFFFAOYSA-N 1 2 323.339 3.320 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@](C)(C(F)F)O1 ZINC000698930092 1087708016 /nfs/dbraw/zinc/70/80/16/1087708016.db2.gz YRDBZNBOBKENDQ-LKFCYVNXSA-N 1 2 305.752 3.290 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@](C)(C(F)F)O1 ZINC000698930092 1087708020 /nfs/dbraw/zinc/70/80/20/1087708020.db2.gz YRDBZNBOBKENDQ-LKFCYVNXSA-N 1 2 305.752 3.290 20 10 DGCDLO Oc1ccc(CNc2[nH+]cnc3[nH]c4cc(F)ccc4c32)cc1O ZINC001159005743 1088134808 /nfs/dbraw/zinc/13/48/08/1088134808.db2.gz PJTQCCIIVYNDPO-UHFFFAOYSA-N 1 2 324.315 3.274 20 10 DGCDLO CC(C)[N@H+](Cc1cc(F)cc(Cl)c1[O-])C1CC[NH+](C)CC1 ZINC001237802046 1090326232 /nfs/dbraw/zinc/32/62/32/1090326232.db2.gz KLQLKBJLKUCILN-UHFFFAOYSA-N 1 2 314.832 3.489 20 10 DGCDLO CC(C)[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C1CC[NH+](C)CC1 ZINC001237802046 1090326235 /nfs/dbraw/zinc/32/62/35/1090326235.db2.gz KLQLKBJLKUCILN-UHFFFAOYSA-N 1 2 314.832 3.489 20 10 DGCDLO Oc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1O ZINC001203882748 1090825984 /nfs/dbraw/zinc/82/59/84/1090825984.db2.gz UJWNSWMRTVDDQJ-UHFFFAOYSA-N 1 2 318.804 3.073 20 10 DGCDLO C[N@@H+]1CCN(Cc2ccc(F)c(F)c2O)C2(CCCCC2)C1 ZINC001204359421 1090955611 /nfs/dbraw/zinc/95/56/11/1090955611.db2.gz PPYZQCGBMHQPPU-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO C[N@H+]1CCN(Cc2ccc(F)c(F)c2O)C2(CCCCC2)C1 ZINC001204359421 1090955614 /nfs/dbraw/zinc/95/56/14/1090955614.db2.gz PPYZQCGBMHQPPU-UHFFFAOYSA-N 1 2 310.388 3.121 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1 ZINC001204433232 1090968592 /nfs/dbraw/zinc/96/85/92/1090968592.db2.gz YMKBWBVKDDCNFY-IBGZPJMESA-N 1 2 324.424 3.189 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1 ZINC001204433232 1090968596 /nfs/dbraw/zinc/96/85/96/1090968596.db2.gz YMKBWBVKDDCNFY-IBGZPJMESA-N 1 2 324.424 3.189 20 10 DGCDLO C[N@@H+]1CCN(Cc2c(O)cccc2F)[C@H](c2ccccc2)C1 ZINC001137831948 1091093992 /nfs/dbraw/zinc/09/39/92/1091093992.db2.gz UHADBIWXCDRJBP-KRWDZBQOSA-N 1 2 300.377 3.020 20 10 DGCDLO C[N@H+]1CCN(Cc2c(O)cccc2F)[C@H](c2ccccc2)C1 ZINC001137831948 1091093998 /nfs/dbraw/zinc/09/39/98/1091093998.db2.gz UHADBIWXCDRJBP-KRWDZBQOSA-N 1 2 300.377 3.020 20 10 DGCDLO CN1CC[N@H+](Cc2c(O)cccc2F)[C@H](c2ccccc2)C1 ZINC001137831948 1091094005 /nfs/dbraw/zinc/09/40/05/1091094005.db2.gz UHADBIWXCDRJBP-KRWDZBQOSA-N 1 2 300.377 3.020 20 10 DGCDLO CN1CC[N@@H+](Cc2c(O)cccc2F)[C@H](c2ccccc2)C1 ZINC001137831948 1091094008 /nfs/dbraw/zinc/09/40/08/1091094008.db2.gz UHADBIWXCDRJBP-KRWDZBQOSA-N 1 2 300.377 3.020 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](C)C[C@H]1C ZINC001139129226 1091459906 /nfs/dbraw/zinc/45/99/06/1091459906.db2.gz RCNBVCZHEBUYLW-WCQYABFASA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](C)C[C@H]1C ZINC001139129226 1091459910 /nfs/dbraw/zinc/45/99/10/1091459910.db2.gz RCNBVCZHEBUYLW-WCQYABFASA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC(C(F)F)CC1 ZINC001139130555 1091460005 /nfs/dbraw/zinc/46/00/05/1091460005.db2.gz FIOAWTSHOBBGLA-UHFFFAOYSA-N 1 2 323.339 3.284 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H]1C(C)C ZINC001139133194 1091461676 /nfs/dbraw/zinc/46/16/76/1091461676.db2.gz DSBPYWPJTYNALS-HNNXBMFYSA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H]1C(C)C ZINC001139133194 1091461684 /nfs/dbraw/zinc/46/16/84/1091461684.db2.gz DSBPYWPJTYNALS-HNNXBMFYSA-N 1 2 301.386 3.427 20 10 DGCDLO Cc1cc(C[NH+]2CC(Oc3ccccc3F)C2)ccc1N(C)C ZINC001139673149 1091639754 /nfs/dbraw/zinc/63/97/54/1091639754.db2.gz QITHJTFTCSWOTD-UHFFFAOYSA-N 1 2 314.404 3.463 20 10 DGCDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001140341433 1091834997 /nfs/dbraw/zinc/83/49/97/1091834997.db2.gz NMRYTUPHUWICTB-MRXNPFEDSA-N 1 2 304.777 3.014 20 10 DGCDLO CSc1ncc2c(n1)C[N@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140342236 1091835431 /nfs/dbraw/zinc/83/54/31/1091835431.db2.gz ZLVYHDPTCMZXQG-UHFFFAOYSA-N 1 2 321.833 3.116 20 10 DGCDLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(O)cc(F)cc3F)C2)nc1 ZINC001140585497 1091921888 /nfs/dbraw/zinc/92/18/88/1091921888.db2.gz KMZSHUGDUOLRFP-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)nc1 ZINC001140585497 1091921891 /nfs/dbraw/zinc/92/18/91/1091921891.db2.gz KMZSHUGDUOLRFP-CYBMUJFWSA-N 1 2 320.339 3.027 20 10 DGCDLO Cc1c(O)ccc(C[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)c1O ZINC001140749753 1091986121 /nfs/dbraw/zinc/98/61/21/1091986121.db2.gz LPZCANSTFVMNDC-INIZCTEOSA-N 1 2 317.360 3.119 20 10 DGCDLO Cc1c(O)ccc(C[N@H+]2CCOC[C@H]2c2ccc(F)cc2)c1O ZINC001140749753 1091986126 /nfs/dbraw/zinc/98/61/26/1091986126.db2.gz LPZCANSTFVMNDC-INIZCTEOSA-N 1 2 317.360 3.119 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cc(Br)ccn1)CC2 ZINC001140766347 1091991439 /nfs/dbraw/zinc/99/14/39/1091991439.db2.gz HAQIEJWGKSBXMC-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cc(Br)ccn1)CC2 ZINC001140766347 1091991443 /nfs/dbraw/zinc/99/14/43/1091991443.db2.gz HAQIEJWGKSBXMC-UHFFFAOYSA-N 1 2 319.202 3.108 20 10 DGCDLO [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001206641425 1092901458 /nfs/dbraw/zinc/90/14/58/1092901458.db2.gz XDPZJTQPRLZDJR-JTQLQIEISA-N 1 2 303.233 3.260 20 10 DGCDLO [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001206641425 1092901468 /nfs/dbraw/zinc/90/14/68/1092901468.db2.gz XDPZJTQPRLZDJR-JTQLQIEISA-N 1 2 303.233 3.260 20 10 DGCDLO [NH3+]C[C@@H]1CCCCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001206641425 1092901479 /nfs/dbraw/zinc/90/14/79/1092901479.db2.gz XDPZJTQPRLZDJR-JTQLQIEISA-N 1 2 303.233 3.260 20 10 DGCDLO Nc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC001120262862 1094396911 /nfs/dbraw/zinc/39/69/11/1094396911.db2.gz FUGYRIWLRFXXCW-KRWDZBQOSA-N 1 2 302.805 3.496 20 10 DGCDLO Nc1ccc(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC001120262862 1094396915 /nfs/dbraw/zinc/39/69/15/1094396915.db2.gz FUGYRIWLRFXXCW-KRWDZBQOSA-N 1 2 302.805 3.496 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1ccc(Cl)cn1)CCC2 ZINC001136931549 1095240653 /nfs/dbraw/zinc/24/06/53/1095240653.db2.gz GWBYVNRPJYSIRE-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1ccc(Cl)cn1)CCC2 ZINC001136931549 1095240661 /nfs/dbraw/zinc/24/06/61/1095240661.db2.gz GWBYVNRPJYSIRE-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1cccc(F)c1CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001137837813 1095758676 /nfs/dbraw/zinc/75/86/76/1095758676.db2.gz VRAMWDOLAONRPT-OAHLLOKOSA-N 1 2 306.425 3.372 20 10 DGCDLO CC[N@H+](Cc1cc(C)n(-c2ccccc2)c1C)[C@@H](C)C(=O)OC ZINC001137859305 1095769726 /nfs/dbraw/zinc/76/97/26/1095769726.db2.gz SGGBNIYIFGVAJA-INIZCTEOSA-N 1 2 314.429 3.478 20 10 DGCDLO CC[N@@H+](Cc1cc(C)n(-c2ccccc2)c1C)[C@@H](C)C(=O)OC ZINC001137859305 1095769739 /nfs/dbraw/zinc/76/97/39/1095769739.db2.gz SGGBNIYIFGVAJA-INIZCTEOSA-N 1 2 314.429 3.478 20 10 DGCDLO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001117720975 1095815796 /nfs/dbraw/zinc/81/57/96/1095815796.db2.gz IIFPPHMNXYCZBK-UONOGXRCSA-N 1 2 300.805 3.147 20 10 DGCDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccc(F)c1O ZINC001138127885 1095900673 /nfs/dbraw/zinc/90/06/73/1095900673.db2.gz UMGAFDGGKGFHEA-HNNXBMFYSA-N 1 2 314.404 3.238 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cccc(F)c1O ZINC001138127885 1095900683 /nfs/dbraw/zinc/90/06/83/1095900683.db2.gz UMGAFDGGKGFHEA-HNNXBMFYSA-N 1 2 314.404 3.238 20 10 DGCDLO C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cccc(F)c1O ZINC001138127885 1095900690 /nfs/dbraw/zinc/90/06/90/1095900690.db2.gz UMGAFDGGKGFHEA-HNNXBMFYSA-N 1 2 314.404 3.238 20 10 DGCDLO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1cccc(F)c1O ZINC001138127885 1095900695 /nfs/dbraw/zinc/90/06/95/1095900695.db2.gz UMGAFDGGKGFHEA-HNNXBMFYSA-N 1 2 314.404 3.238 20 10 DGCDLO COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC001231848056 1097863406 /nfs/dbraw/zinc/86/34/06/1097863406.db2.gz FSZBLWXWNVUZSC-QGZVFWFLSA-N 1 2 315.417 3.395 20 10 DGCDLO COc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC001231848056 1097863411 /nfs/dbraw/zinc/86/34/11/1097863411.db2.gz FSZBLWXWNVUZSC-QGZVFWFLSA-N 1 2 315.417 3.395 20 10 DGCDLO COCc1noc2c1C[N@H+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC001231868598 1097869185 /nfs/dbraw/zinc/86/91/85/1097869185.db2.gz VQBAMCDAPOFSSI-UHFFFAOYSA-N 1 2 322.792 3.047 20 10 DGCDLO COCc1noc2c1C[N@@H+](Cc1cc(Cl)c(C)cc1O)CC2 ZINC001231868598 1097869192 /nfs/dbraw/zinc/86/91/92/1097869192.db2.gz VQBAMCDAPOFSSI-UHFFFAOYSA-N 1 2 322.792 3.047 20 10 DGCDLO CCC[N@H+](Cc1cccc(Cl)c1O)C1CCN(C(C)=O)CC1 ZINC001231912619 1097889394 /nfs/dbraw/zinc/88/93/94/1097889394.db2.gz RWYXMGLIXVIHIZ-UHFFFAOYSA-N 1 2 324.852 3.269 20 10 DGCDLO CCC[N@@H+](Cc1cccc(Cl)c1O)C1CCN(C(C)=O)CC1 ZINC001231912619 1097889401 /nfs/dbraw/zinc/88/94/01/1097889401.db2.gz RWYXMGLIXVIHIZ-UHFFFAOYSA-N 1 2 324.852 3.269 20 10 DGCDLO O=C1CC[N@@H+](Cc2cc(Cl)c(O)cc2O)[C@@H]2CCCC[C@H]12 ZINC001232258639 1097983315 /nfs/dbraw/zinc/98/33/15/1097983315.db2.gz BPGGKLRPQITAJF-WCQYABFASA-N 1 2 309.793 3.085 20 10 DGCDLO O=C1CC[N@H+](Cc2cc(Cl)c(O)cc2O)[C@@H]2CCCC[C@H]12 ZINC001232258639 1097983320 /nfs/dbraw/zinc/98/33/20/1097983320.db2.gz BPGGKLRPQITAJF-WCQYABFASA-N 1 2 309.793 3.085 20 10 DGCDLO Oc1cccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1Cl ZINC001232789262 1098136860 /nfs/dbraw/zinc/13/68/60/1098136860.db2.gz ZQFWIGHWRCGLHI-UHFFFAOYSA-N 1 2 319.788 3.405 20 10 DGCDLO Oc1cccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1Cl ZINC001232789262 1098136862 /nfs/dbraw/zinc/13/68/62/1098136862.db2.gz ZQFWIGHWRCGLHI-UHFFFAOYSA-N 1 2 319.788 3.405 20 10 DGCDLO C[C@]1(CF)CC[N@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233029137 1098207185 /nfs/dbraw/zinc/20/71/85/1098207185.db2.gz ZOEFUXGWDRKVMV-CYBMUJFWSA-N 1 2 320.177 3.475 20 10 DGCDLO C[C@]1(CF)CC[N@@H+](Cc2c(O)cc(Br)cc2F)C1 ZINC001233029137 1098207189 /nfs/dbraw/zinc/20/71/89/1098207189.db2.gz ZOEFUXGWDRKVMV-CYBMUJFWSA-N 1 2 320.177 3.475 20 10 DGCDLO Oc1c(CN2CCCC[C@H]2C[NH+]2CCCC2)ccc(F)c1F ZINC001233077338 1098219284 /nfs/dbraw/zinc/21/92/84/1098219284.db2.gz JVCMPRZLWRCBKU-AWEZNQCLSA-N 1 2 310.388 3.121 20 10 DGCDLO Oc1c(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)ccc(F)c1F ZINC001233078894 1098220544 /nfs/dbraw/zinc/22/05/44/1098220544.db2.gz NHAGSWRRPHUENU-OAHLLOKOSA-N 1 2 311.372 3.452 20 10 DGCDLO Oc1c(C[N@H+]2CCOC[C@@H]2C2CCCCC2)ccc(F)c1F ZINC001233078894 1098220546 /nfs/dbraw/zinc/22/05/46/1098220546.db2.gz NHAGSWRRPHUENU-OAHLLOKOSA-N 1 2 311.372 3.452 20 10 DGCDLO COc1cc[nH+]cc1Nc1ccccc1C(=O)c1ccncc1 ZINC001176124134 1098266191 /nfs/dbraw/zinc/26/61/91/1098266191.db2.gz IJULARCFEWVNJE-UHFFFAOYSA-N 1 2 305.337 3.460 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+](C)CC(=O)c2ccccc2)c1O ZINC001233290765 1098277899 /nfs/dbraw/zinc/27/78/99/1098277899.db2.gz UUCRCGMRHADDBV-UHFFFAOYSA-N 1 2 319.788 3.369 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+](C)CC(=O)c2ccccc2)c1O ZINC001233290765 1098277903 /nfs/dbraw/zinc/27/79/03/1098277903.db2.gz UUCRCGMRHADDBV-UHFFFAOYSA-N 1 2 319.788 3.369 20 10 DGCDLO CC(C)[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2O)CCO1 ZINC001233419256 1098324424 /nfs/dbraw/zinc/32/44/24/1098324424.db2.gz PZTXDJDSVKTLLN-CYBMUJFWSA-N 1 2 303.324 3.268 20 10 DGCDLO CC(C)[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2O)CCO1 ZINC001233419256 1098324429 /nfs/dbraw/zinc/32/44/29/1098324429.db2.gz PZTXDJDSVKTLLN-CYBMUJFWSA-N 1 2 303.324 3.268 20 10 DGCDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cccc(C(F)(F)F)c1O ZINC001233419502 1098324518 /nfs/dbraw/zinc/32/45/18/1098324518.db2.gz ZVEZDDXTCIRCBF-LBPRGKRZSA-N 1 2 319.323 3.040 20 10 DGCDLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cccc(C(F)(F)F)c1O ZINC001233419502 1098324526 /nfs/dbraw/zinc/32/45/26/1098324526.db2.gz ZVEZDDXTCIRCBF-LBPRGKRZSA-N 1 2 319.323 3.040 20 10 DGCDLO CCC[N@H+](CC(=O)OCC)Cc1cccc(C(F)(F)F)c1O ZINC001233419165 1098325624 /nfs/dbraw/zinc/32/56/24/1098325624.db2.gz LQTSASORJBMLAC-UHFFFAOYSA-N 1 2 319.323 3.186 20 10 DGCDLO CCC[N@@H+](CC(=O)OCC)Cc1cccc(C(F)(F)F)c1O ZINC001233419165 1098325630 /nfs/dbraw/zinc/32/56/30/1098325630.db2.gz LQTSASORJBMLAC-UHFFFAOYSA-N 1 2 319.323 3.186 20 10 DGCDLO Oc1cc(C(F)(F)F)ccc1C[NH+]1CC(Oc2cccnc2)C1 ZINC001233454373 1098340231 /nfs/dbraw/zinc/34/02/31/1098340231.db2.gz SHKOEOYLWOWXSO-UHFFFAOYSA-N 1 2 324.302 3.069 20 10 DGCDLO COc1ccc2ccc(O)c(C[NH+]3CC(F)(C4CC4)C3)c2c1 ZINC001234525408 1098580265 /nfs/dbraw/zinc/58/02/65/1098580265.db2.gz GEBDQVRWPMHNPA-UHFFFAOYSA-N 1 2 301.361 3.488 20 10 DGCDLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001177972706 1098679399 /nfs/dbraw/zinc/67/93/99/1098679399.db2.gz VCONCHADDUFAGO-OAHLLOKOSA-N 1 2 309.768 3.316 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001235067767 1098782879 /nfs/dbraw/zinc/78/28/79/1098782879.db2.gz ZKZAJVIDXRNZSH-QPUJVOFHSA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001235067767 1098782890 /nfs/dbraw/zinc/78/28/90/1098782890.db2.gz ZKZAJVIDXRNZSH-QPUJVOFHSA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235127073 1098825975 /nfs/dbraw/zinc/82/59/75/1098825975.db2.gz XERALEKGKGEIMS-OAHLLOKOSA-N 1 2 315.244 3.417 20 10 DGCDLO CCC[N@H+](CCOC)Cc1cc(F)cc(Br)c1O ZINC001235297544 1098947507 /nfs/dbraw/zinc/94/75/07/1098947507.db2.gz NBHTXCNWMHSHOA-UHFFFAOYSA-N 1 2 320.202 3.152 20 10 DGCDLO CCC[N@@H+](CCOC)Cc1cc(F)cc(Br)c1O ZINC001235297544 1098947515 /nfs/dbraw/zinc/94/75/15/1098947515.db2.gz NBHTXCNWMHSHOA-UHFFFAOYSA-N 1 2 320.202 3.152 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1ccc(C(C)(C)C)cc1O)C1CC1 ZINC001235681911 1099124811 /nfs/dbraw/zinc/12/48/11/1099124811.db2.gz SAXOWJIODMWGBZ-UHFFFAOYSA-N 1 2 305.418 3.217 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)C1CC1 ZINC001235681911 1099124813 /nfs/dbraw/zinc/12/48/13/1099124813.db2.gz SAXOWJIODMWGBZ-UHFFFAOYSA-N 1 2 305.418 3.217 20 10 DGCDLO Cc1cc(Br)c(O)c(C[NH+]2CC3(CSC3)C2)c1 ZINC001236671746 1099736948 /nfs/dbraw/zinc/73/69/48/1099736948.db2.gz XOIVGLQMGYFPTD-UHFFFAOYSA-N 1 2 314.248 3.012 20 10 DGCDLO COc1ccc(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)c(O)c1Cl ZINC001236801482 1099796233 /nfs/dbraw/zinc/79/62/33/1099796233.db2.gz JWWGZZSIMGCLKZ-MEDUHNTESA-N 1 2 313.825 3.037 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@H](C)[C@](C)(O)CC2)c(O)c1Cl ZINC001236801482 1099796238 /nfs/dbraw/zinc/79/62/38/1099796238.db2.gz JWWGZZSIMGCLKZ-MEDUHNTESA-N 1 2 313.825 3.037 20 10 DGCDLO COc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)c(O)c1Cl ZINC001236804469 1099797442 /nfs/dbraw/zinc/79/74/42/1099797442.db2.gz ZVLKXBKQCPCRPB-UHFFFAOYSA-N 1 2 319.788 3.318 20 10 DGCDLO COc1ccc(C[N@H+]2CCc3c(O)cccc3C2)c(O)c1Cl ZINC001236804469 1099797449 /nfs/dbraw/zinc/79/74/49/1099797449.db2.gz ZVLKXBKQCPCRPB-UHFFFAOYSA-N 1 2 319.788 3.318 20 10 DGCDLO C[N@H+](Cc1cscn1)Cc1cc(C(F)(F)F)ccc1O ZINC001237140375 1099990683 /nfs/dbraw/zinc/99/06/83/1099990683.db2.gz KNJKTVOJNVHGRR-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO C[N@@H+](Cc1cscn1)Cc1cc(C(F)(F)F)ccc1O ZINC001237140375 1099990691 /nfs/dbraw/zinc/99/06/91/1099990691.db2.gz KNJKTVOJNVHGRR-UHFFFAOYSA-N 1 2 302.321 3.500 20 10 DGCDLO Oc1c(F)cc(Cl)cc1CN(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237160336 1100009365 /nfs/dbraw/zinc/00/93/65/1100009365.db2.gz JPNZPQHRIRFOIY-CQSZACIVSA-N 1 2 312.816 3.291 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001237622471 1100192122 /nfs/dbraw/zinc/19/21/22/1100192122.db2.gz SEBPQUQWHBUMJS-GFCCVEGCSA-N 1 2 313.800 3.433 20 10 DGCDLO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC001237624092 1100192039 /nfs/dbraw/zinc/19/20/39/1100192039.db2.gz YCOBLKJDOZPBSO-ZANVPECISA-N 1 2 317.788 3.204 20 10 DGCDLO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC001237624092 1100192043 /nfs/dbraw/zinc/19/20/43/1100192043.db2.gz YCOBLKJDOZPBSO-ZANVPECISA-N 1 2 317.788 3.204 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001237622471 1100192132 /nfs/dbraw/zinc/19/21/32/1100192132.db2.gz SEBPQUQWHBUMJS-GFCCVEGCSA-N 1 2 313.800 3.433 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001237621908 1100192863 /nfs/dbraw/zinc/19/28/63/1100192863.db2.gz IVIIURYFCZALLL-ZDUSSCGKSA-N 1 2 321.726 3.185 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001237621908 1100192868 /nfs/dbraw/zinc/19/28/68/1100192868.db2.gz IVIIURYFCZALLL-ZDUSSCGKSA-N 1 2 321.726 3.185 20 10 DGCDLO Cc1cc(O)c(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC001237675972 1100210860 /nfs/dbraw/zinc/21/08/60/1100210860.db2.gz DHQOIDWHVADTKF-QWRGUYRKSA-N 1 2 314.223 3.072 20 10 DGCDLO CC[N@@H+]1CCN(Cc2cc(F)cc(Cl)c2O)C(C)(C)C1 ZINC001237803735 1100251776 /nfs/dbraw/zinc/25/17/76/1100251776.db2.gz UMWNIYFIRHAVGK-UHFFFAOYSA-N 1 2 300.805 3.101 20 10 DGCDLO CC[N@H+]1CCN(Cc2cc(F)cc(Cl)c2O)C(C)(C)C1 ZINC001237803735 1100251777 /nfs/dbraw/zinc/25/17/77/1100251777.db2.gz UMWNIYFIRHAVGK-UHFFFAOYSA-N 1 2 300.805 3.101 20 10 DGCDLO Cn1ccc(C2CC[NH+](Cc3cc(F)cc(Cl)c3O)CC2)n1 ZINC001237804938 1100251911 /nfs/dbraw/zinc/25/19/11/1100251911.db2.gz ICHMTXCRUBILRM-UHFFFAOYSA-N 1 2 323.799 3.298 20 10 DGCDLO OCC[C@H]1CC12CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237804365 1100251931 /nfs/dbraw/zinc/25/19/31/1100251931.db2.gz CLAYXXVBNXJDJV-LBPRGKRZSA-N 1 2 313.800 3.169 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(Cl)n1 ZINC001237798611 1100251949 /nfs/dbraw/zinc/25/19/49/1100251949.db2.gz NAKPNNZNPJXIOH-UHFFFAOYSA-N 1 2 319.836 3.442 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(Cl)n1 ZINC001237798611 1100251952 /nfs/dbraw/zinc/25/19/52/1100251952.db2.gz NAKPNNZNPJXIOH-UHFFFAOYSA-N 1 2 319.836 3.442 20 10 DGCDLO CCCC[N@H+](CC(=O)OCC)Cc1cc(F)c(Cl)cc1O ZINC001237941626 1100298893 /nfs/dbraw/zinc/29/88/93/1100298893.db2.gz ZOYZNWKYPGMMCS-UHFFFAOYSA-N 1 2 317.788 3.350 20 10 DGCDLO CCCC[N@@H+](CC(=O)OCC)Cc1cc(F)c(Cl)cc1O ZINC001237941626 1100298900 /nfs/dbraw/zinc/29/89/00/1100298900.db2.gz ZOYZNWKYPGMMCS-UHFFFAOYSA-N 1 2 317.788 3.350 20 10 DGCDLO O=c1cc(-c2ccc3[nH+]ccn3c2)ccn1Cc1ccccc1F ZINC001240221265 1100901382 /nfs/dbraw/zinc/90/13/82/1100901382.db2.gz KAXPRRNLBLUFAZ-UHFFFAOYSA-N 1 2 319.339 3.350 20 10 DGCDLO Cc1cc(-c2ccc3ccn(C)c3c2)c[nH+]c1N1CCOCC1 ZINC001240574296 1101056319 /nfs/dbraw/zinc/05/63/19/1101056319.db2.gz DMRXTKHXJHWYDN-UHFFFAOYSA-N 1 2 307.397 3.385 20 10 DGCDLO Cc1nc(C[NH2+]Cc2cc(F)cc(F)c2O)nc2ccccc12 ZINC001199991489 1102266398 /nfs/dbraw/zinc/26/63/98/1102266398.db2.gz YIMICSFPCORVMW-UHFFFAOYSA-N 1 2 315.323 3.212 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@](C)(C(F)F)C2)c1O ZINC001327963673 1103783091 /nfs/dbraw/zinc/78/30/91/1103783091.db2.gz LSFXGHRKELFMAT-AWEZNQCLSA-N 1 2 305.752 3.210 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@](C)(C(F)F)C2)c1O ZINC001327963673 1103783098 /nfs/dbraw/zinc/78/30/98/1103783098.db2.gz LSFXGHRKELFMAT-AWEZNQCLSA-N 1 2 305.752 3.210 20 10 DGCDLO Cc1nc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)sc1C ZINC001329710650 1104369524 /nfs/dbraw/zinc/36/95/24/1104369524.db2.gz MYXZAPZUDLYGMB-UHFFFAOYSA-N 1 2 311.401 3.394 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)CCN1C ZINC001248884197 1105186770 /nfs/dbraw/zinc/18/67/70/1105186770.db2.gz ZMAYSPPIEYQMNJ-GFCCVEGCSA-N 1 2 310.869 3.479 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)c(C(C)(C)C)cc2O)CCN1C ZINC001248884197 1105186772 /nfs/dbraw/zinc/18/67/72/1105186772.db2.gz ZMAYSPPIEYQMNJ-GFCCVEGCSA-N 1 2 310.869 3.479 20 10 DGCDLO Cc1ncc(C[N@@H+]2CCc3cccc(O)c3C2)c(C(F)(F)F)n1 ZINC001249400276 1105279645 /nfs/dbraw/zinc/27/96/45/1105279645.db2.gz PCYDVRWWPGAYTB-UHFFFAOYSA-N 1 2 323.318 3.068 20 10 DGCDLO Cc1ncc(C[N@H+]2CCc3cccc(O)c3C2)c(C(F)(F)F)n1 ZINC001249400276 1105279648 /nfs/dbraw/zinc/27/96/48/1105279648.db2.gz PCYDVRWWPGAYTB-UHFFFAOYSA-N 1 2 323.318 3.068 20 10 DGCDLO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001320640536 1107085151 /nfs/dbraw/zinc/08/51/51/1107085151.db2.gz SJSVFOCVXOSFKO-UONOGXRCSA-N 1 2 300.805 3.147 20 10 DGCDLO C[C@H](c1ccccc1)[N@H+](Cc1ncnn1C)Cc1ccccc1O ZINC000179646508 432066045 /nfs/dbraw/zinc/06/60/45/432066045.db2.gz BEFOAGDONRMQNL-OAHLLOKOSA-N 1 2 322.412 3.284 20 10 DGCDLO C[C@H](c1ccccc1)[N@@H+](Cc1ncnn1C)Cc1ccccc1O ZINC000179646508 432066047 /nfs/dbraw/zinc/06/60/47/432066047.db2.gz BEFOAGDONRMQNL-OAHLLOKOSA-N 1 2 322.412 3.284 20 10 DGCDLO C[C@@H]([NH2+]CCOc1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273418019 130119237 /nfs/dbraw/zinc/11/92/37/130119237.db2.gz RHYNBPSKUUMEAM-GFCCVEGCSA-N 1 2 302.330 3.030 20 10 DGCDLO C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1cc([N+](=O)[O-])ccc1O ZINC000273520630 130132225 /nfs/dbraw/zinc/13/22/25/130132225.db2.gz UGOVYPGMDUVHMY-SECBINFHSA-N 1 2 319.386 3.485 20 10 DGCDLO C[C@@H]([NH2+]Cc1nccn1C)c1ccc(Cl)c(Cl)c1O ZINC000273577873 130139941 /nfs/dbraw/zinc/13/99/41/130139941.db2.gz MBKCIQGEDYOVHM-MRVPVSSYSA-N 1 2 300.189 3.283 20 10 DGCDLO CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cccc(Cl)c1O ZINC000287755857 131299119 /nfs/dbraw/zinc/29/91/19/131299119.db2.gz QOMACJDKSGVESW-JQWIXIFHSA-N 1 2 311.731 3.400 20 10 DGCDLO CC(C)n1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000289084010 131357388 /nfs/dbraw/zinc/35/73/88/131357388.db2.gz KPNOGWBSQORCDJ-UHFFFAOYSA-N 1 2 313.449 3.090 20 10 DGCDLO CC(C)n1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)nn1 ZINC000289084010 131357390 /nfs/dbraw/zinc/35/73/90/131357390.db2.gz KPNOGWBSQORCDJ-UHFFFAOYSA-N 1 2 313.449 3.090 20 10 DGCDLO CCCc1noc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000298731311 132075848 /nfs/dbraw/zinc/07/58/48/132075848.db2.gz SNLPXZNEVMSLQG-UHFFFAOYSA-N 1 2 314.433 3.253 20 10 DGCDLO CCCc1noc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000298731311 132075851 /nfs/dbraw/zinc/07/58/51/132075851.db2.gz SNLPXZNEVMSLQG-UHFFFAOYSA-N 1 2 314.433 3.253 20 10 DGCDLO C[C@@H]1CN(c2ccc(CNc3cccc[nH+]3)cc2F)C[C@@H](C)O1 ZINC000052457076 400732285 /nfs/dbraw/zinc/73/22/85/400732285.db2.gz HNYKDXBOFGFTHW-ZIAGYGMSSA-N 1 2 315.392 3.446 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000133941921 304844082 /nfs/dbraw/zinc/84/40/82/304844082.db2.gz GQLWMSJRJUNRDV-CYBMUJFWSA-N 1 2 315.244 3.369 20 10 DGCDLO Cc1c2ccccc2n(C)c1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000348671829 229204143 /nfs/dbraw/zinc/20/41/43/229204143.db2.gz ZCMTWGHGNNHNBM-UHFFFAOYSA-N 1 2 318.380 3.064 20 10 DGCDLO CC[C@H]([NH2+]CCC1(O)CCOCC1)c1cccc(Cl)c1O ZINC000287108516 288039148 /nfs/dbraw/zinc/03/91/48/288039148.db2.gz QKNYQRHMDUTZQP-AWEZNQCLSA-N 1 2 313.825 3.018 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc(Cl)c1O ZINC000367567672 288091741 /nfs/dbraw/zinc/09/17/41/288091741.db2.gz UZJORKSKAPNKGF-FZMZJTMJSA-N 1 2 305.809 3.367 20 10 DGCDLO COc1cccc(C[N@@H+]2CCc3c4ccccc4[nH]c3C2)c1O ZINC000093758942 431917234 /nfs/dbraw/zinc/91/72/34/431917234.db2.gz RJLMIGYKUYLGCS-UHFFFAOYSA-N 1 2 308.381 3.440 20 10 DGCDLO COc1cccc(C[N@H+]2CCc3c4ccccc4[nH]c3C2)c1O ZINC000093758942 431917237 /nfs/dbraw/zinc/91/72/37/431917237.db2.gz RJLMIGYKUYLGCS-UHFFFAOYSA-N 1 2 308.381 3.440 20 10 DGCDLO COc1cc(Cl)cc(CNc2ccc(N(C)C)[nH+]c2)c1O ZINC000228668467 432719298 /nfs/dbraw/zinc/71/92/98/432719298.db2.gz PURDQEMDTMFHRF-UHFFFAOYSA-N 1 2 307.781 3.127 20 10 DGCDLO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2O)c1 ZINC000187714382 432680086 /nfs/dbraw/zinc/68/00/86/432680086.db2.gz HPKSQDURIGXTTG-BMIGLBTASA-N 1 2 323.339 3.063 20 10 DGCDLO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1O ZINC000276928840 432828006 /nfs/dbraw/zinc/82/80/06/432828006.db2.gz NURWIFYTHCLBSE-JTQLQIEISA-N 1 2 322.311 3.472 20 10 DGCDLO COC(=O)[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000276492601 432812363 /nfs/dbraw/zinc/81/23/63/432812363.db2.gz QKBGSALQCBUMIY-GOSISDBHSA-N 1 2 311.381 3.100 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(F)c(F)c1O ZINC000278479054 432895232 /nfs/dbraw/zinc/89/52/32/432895232.db2.gz OOZFMGWXYZYGDI-AAEUAGOBSA-N 1 2 310.388 3.338 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1cc(Cl)c(Cl)cc1O ZINC000278793774 432901541 /nfs/dbraw/zinc/90/15/41/432901541.db2.gz QNPZHNXNXJXAGZ-SFYZADRCSA-N 1 2 315.204 3.239 20 10 DGCDLO C[N@H+](Cc1cnns1)Cc1ccc(N2CCCCC2)cc1 ZINC000296523306 432918449 /nfs/dbraw/zinc/91/84/49/432918449.db2.gz MVECXUUAMDQYSW-UHFFFAOYSA-N 1 2 302.447 3.160 20 10 DGCDLO C[N@@H+](Cc1cnns1)Cc1ccc(N2CCCCC2)cc1 ZINC000296523306 432918451 /nfs/dbraw/zinc/91/84/51/432918451.db2.gz MVECXUUAMDQYSW-UHFFFAOYSA-N 1 2 302.447 3.160 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)c1O ZINC000289818749 432974231 /nfs/dbraw/zinc/97/42/31/432974231.db2.gz NZYAHKSWIHXMBO-LBPRGKRZSA-N 1 2 323.780 3.083 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2nc(C)no2)c1O ZINC000289818749 432974234 /nfs/dbraw/zinc/97/42/34/432974234.db2.gz NZYAHKSWIHXMBO-LBPRGKRZSA-N 1 2 323.780 3.083 20 10 DGCDLO CC[C@@H]([NH2+][C@H]1COC[C@@H]1OC)c1cc(Cl)cc(Cl)c1O ZINC000290145201 432999706 /nfs/dbraw/zinc/99/97/06/432999706.db2.gz KXYQHRPYXWXZCJ-AGIUHOORSA-N 1 2 320.216 3.154 20 10 DGCDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)n1 ZINC000293912877 433922024 /nfs/dbraw/zinc/92/20/24/433922024.db2.gz LWMAHAAKWDFTNN-GFCCVEGCSA-N 1 2 311.744 3.213 20 10 DGCDLO Cc1noc([C@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)n1 ZINC000293912877 433922034 /nfs/dbraw/zinc/92/20/34/433922034.db2.gz LWMAHAAKWDFTNN-GFCCVEGCSA-N 1 2 311.744 3.213 20 10 DGCDLO CC[C@@H]([NH2+]CCc1nccnc1C)c1cccc(Cl)c1O ZINC000294980964 434158516 /nfs/dbraw/zinc/15/85/16/434158516.db2.gz KPGIBTRVWNFVJJ-CQSZACIVSA-N 1 2 305.809 3.427 20 10 DGCDLO COC(=O)c1cnc(SCc2[nH+]cc(C)c(OC)c2C)s1 ZINC000295391934 434342126 /nfs/dbraw/zinc/34/21/26/434342126.db2.gz VFNVBEOEJLSNNT-UHFFFAOYSA-N 1 2 324.427 3.242 20 10 DGCDLO Cc1c2ccccc2n(C)c1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000359836725 434443053 /nfs/dbraw/zinc/44/30/53/434443053.db2.gz BIWKUDUTHADLHK-UHFFFAOYSA-N 1 2 306.413 4.075 20 10 DGCDLO C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc2ccccc2c1O ZINC000370399707 434612402 /nfs/dbraw/zinc/61/24/02/434612402.db2.gz VMOXWRMDJRQKEL-WFASDCNBSA-N 1 2 307.397 3.477 20 10 DGCDLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(N(C)C)cc2)no1 ZINC000371404285 434692045 /nfs/dbraw/zinc/69/20/45/434692045.db2.gz KUTNQRVXAPMFNX-INIZCTEOSA-N 1 2 300.406 3.171 20 10 DGCDLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(N(C)C)cc2)no1 ZINC000371404285 434692053 /nfs/dbraw/zinc/69/20/53/434692053.db2.gz KUTNQRVXAPMFNX-INIZCTEOSA-N 1 2 300.406 3.171 20 10 DGCDLO O=C(/C=C\c1cccnc1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000492074864 434909845 /nfs/dbraw/zinc/90/98/45/434909845.db2.gz XSYVMGJUCCRFKI-SREVYHEPSA-N 1 2 322.343 3.190 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529665153 435039331 /nfs/dbraw/zinc/03/93/31/435039331.db2.gz KSDHZOWWBQNCOL-UHFFFAOYSA-N 1 2 315.804 3.271 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529665153 435039333 /nfs/dbraw/zinc/03/93/33/435039333.db2.gz KSDHZOWWBQNCOL-UHFFFAOYSA-N 1 2 315.804 3.271 20 10 DGCDLO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(F)c(F)c1O ZINC000187733885 333236848 /nfs/dbraw/zinc/23/68/48/333236848.db2.gz XLQPATHLVOZNRW-SECBINFHSA-N 1 2 301.333 3.053 20 10 DGCDLO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187742359 333237252 /nfs/dbraw/zinc/23/72/52/333237252.db2.gz RJDVTBMTVBUYDT-NWDGAFQWSA-N 1 2 301.377 3.366 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1O ZINC000184701280 533953316 /nfs/dbraw/zinc/95/33/16/533953316.db2.gz VQAXAQSHMNTXOX-OAHLLOKOSA-N 1 2 323.776 3.221 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c1O ZINC000184701280 533953320 /nfs/dbraw/zinc/95/33/20/533953320.db2.gz VQAXAQSHMNTXOX-OAHLLOKOSA-N 1 2 323.776 3.221 20 10 DGCDLO COc1ccc([NH+]2CCC(Nc3nc(C)cc(C)n3)CC2)cc1 ZINC000301195818 534001168 /nfs/dbraw/zinc/00/11/68/534001168.db2.gz UIBXFFYKMITCJE-UHFFFAOYSA-N 1 2 312.417 3.183 20 10 DGCDLO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(F)c(F)c2O)cc1 ZINC000191194159 525207073 /nfs/dbraw/zinc/20/70/73/525207073.db2.gz AHRQGJOESOYABK-BMIGLBTASA-N 1 2 323.339 3.063 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(F)c(F)c1O ZINC000191212836 525478018 /nfs/dbraw/zinc/47/80/18/525478018.db2.gz FNOLIBIMLKDDMQ-YMTOWFKASA-N 1 2 311.303 3.194 20 10 DGCDLO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)cc1 ZINC000191213071 525976791 /nfs/dbraw/zinc/97/67/91/525976791.db2.gz GFJLRZHTXGULPW-XHDPSFHLSA-N 1 2 307.340 3.363 20 10 DGCDLO CC[C@@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1O ZINC000287314436 535808942 /nfs/dbraw/zinc/80/89/42/535808942.db2.gz DAZQVOGYGKCYFH-KGLIPLIRSA-N 1 2 310.825 3.096 20 10 DGCDLO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc(Cl)c2O)o1 ZINC000741262242 574954499 /nfs/dbraw/zinc/95/44/99/574954499.db2.gz UWHKFWHQXXCXOL-LBPRGKRZSA-N 1 2 316.184 3.424 20 10 DGCDLO CCO[C@@H](C)c1noc(C[N@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000743370461 575047961 /nfs/dbraw/zinc/04/79/61/575047961.db2.gz DLYYSCMCMQAZBJ-ZDUSSCGKSA-N 1 2 319.405 3.122 20 10 DGCDLO CCO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000743370461 575047964 /nfs/dbraw/zinc/04/79/64/575047964.db2.gz DLYYSCMCMQAZBJ-ZDUSSCGKSA-N 1 2 319.405 3.122 20 10 DGCDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000729683969 575260665 /nfs/dbraw/zinc/26/06/65/575260665.db2.gz IEGWGPPVHSRKTB-ZDUSSCGKSA-N 1 2 300.406 3.219 20 10 DGCDLO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@@H](C(F)(F)F)O1 ZINC000744445453 575343382 /nfs/dbraw/zinc/34/33/82/575343382.db2.gz VSNUVRIRHMXFDV-BONVTDFDSA-N 1 2 315.335 3.033 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@@H](C(F)(F)F)O1 ZINC000744445453 575343384 /nfs/dbraw/zinc/34/33/84/575343384.db2.gz VSNUVRIRHMXFDV-BONVTDFDSA-N 1 2 315.335 3.033 20 10 DGCDLO COc1ccc([N@H+](CCCN2CCCC2=O)CC(C)C)cc1 ZINC000746169934 575437462 /nfs/dbraw/zinc/43/74/62/575437462.db2.gz HFRZZOFMDWREOL-UHFFFAOYSA-N 1 2 304.434 3.170 20 10 DGCDLO COc1ccc([N@@H+](CCCN2CCCC2=O)CC(C)C)cc1 ZINC000746169934 575437466 /nfs/dbraw/zinc/43/74/66/575437466.db2.gz HFRZZOFMDWREOL-UHFFFAOYSA-N 1 2 304.434 3.170 20 10 DGCDLO COc1ccc(N(Cc2ccco2)Cc2c[nH+]cn2C)cc1F ZINC000751481016 575786695 /nfs/dbraw/zinc/78/66/95/575786695.db2.gz FCVQCIOBOLGDGI-UHFFFAOYSA-N 1 2 315.348 3.368 20 10 DGCDLO CN1CCCc2cc(C[NH2+]Cc3n[nH]c4ccccc43)ccc21 ZINC000727469925 576128183 /nfs/dbraw/zinc/12/81/83/576128183.db2.gz PUELZXIPXIKWSL-UHFFFAOYSA-N 1 2 306.413 3.235 20 10 DGCDLO Cc1nnc(C[N@@H+](C)Cc2cc3c(cc2O)CCCC3)s1 ZINC000853619349 620716639 /nfs/dbraw/zinc/71/66/39/620716639.db2.gz XQSPEFAIDCILPZ-UHFFFAOYSA-N 1 2 303.431 3.063 20 10 DGCDLO Cc1nnc(C[N@H+](C)Cc2cc3c(cc2O)CCCC3)s1 ZINC000853619349 620716641 /nfs/dbraw/zinc/71/66/41/620716641.db2.gz XQSPEFAIDCILPZ-UHFFFAOYSA-N 1 2 303.431 3.063 20 10 DGCDLO c1cn(C2CC2)c(CNc2ccccc2OCCn2cc[nH+]c2)n1 ZINC000892347263 618038033 /nfs/dbraw/zinc/03/80/33/618038033.db2.gz XMAYVSDEKPJYMB-UHFFFAOYSA-N 1 2 323.400 3.106 20 10 DGCDLO COc1ccc(CNc2c[nH+]cc3c2CCCC3)c(O)c1OC ZINC000895310700 618592792 /nfs/dbraw/zinc/59/27/92/618592792.db2.gz UHAFYAXEEPINMW-UHFFFAOYSA-N 1 2 314.385 3.295 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840958109 618634530 /nfs/dbraw/zinc/63/45/30/618634530.db2.gz NOCJKOSOCYOZGS-GOEBONIOSA-N 1 2 303.789 3.354 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840958109 618634531 /nfs/dbraw/zinc/63/45/31/618634531.db2.gz NOCJKOSOCYOZGS-GOEBONIOSA-N 1 2 303.789 3.354 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840958372 618635230 /nfs/dbraw/zinc/63/52/30/618635230.db2.gz QEHOVOQHHRAPAK-DOMZBBRYSA-N 1 2 321.779 3.493 20 10 DGCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840958372 618635231 /nfs/dbraw/zinc/63/52/31/618635231.db2.gz QEHOVOQHHRAPAK-DOMZBBRYSA-N 1 2 321.779 3.493 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2nonc2C)cc1F ZINC000925013185 618764071 /nfs/dbraw/zinc/76/40/71/618764071.db2.gz KTRGPEOBQRHVPG-NSHDSACASA-N 1 2 306.385 3.214 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000898215793 619222278 /nfs/dbraw/zinc/22/22/78/619222278.db2.gz QXEWSXZBBBPMLY-RCBQFDQVSA-N 1 2 307.821 3.483 20 10 DGCDLO C[C@]1(Br)C[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000898215799 619222480 /nfs/dbraw/zinc/22/24/80/619222480.db2.gz QYAKPMISRWYEOD-SKDRFNHKSA-N 1 2 304.615 3.309 20 10 DGCDLO CCN(C)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cn1 ZINC000898219094 619222949 /nfs/dbraw/zinc/22/29/49/619222949.db2.gz UVGIBNPKKVTATQ-UHFFFAOYSA-N 1 2 305.809 3.187 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]CCOC1CCSCC1 ZINC000898439326 619275236 /nfs/dbraw/zinc/27/52/36/619275236.db2.gz JDYWCSBJQICUKI-UHFFFAOYSA-N 1 2 301.839 3.047 20 10 DGCDLO C[C@@H]([NH2+][C@H](CO)CCc1ccccc1)c1cc(F)cc(F)c1O ZINC000903288538 619754800 /nfs/dbraw/zinc/75/48/00/619754800.db2.gz CUOBGAGPDSYWJP-DOMZBBRYSA-N 1 2 321.367 3.315 20 10 DGCDLO CC[C@H]([NH2+]Cc1cnc2n1CCOC2)c1cccc(Cl)c1O ZINC000903420112 619776049 /nfs/dbraw/zinc/77/60/49/619776049.db2.gz LYAIAKWTZZUEAR-AWEZNQCLSA-N 1 2 321.808 3.013 20 10 DGCDLO CC[C@@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1cccc(Cl)c1O ZINC000858471149 621194886 /nfs/dbraw/zinc/19/48/86/621194886.db2.gz BMZVUXAIWIOJML-SMDDNHRTSA-N 1 2 309.793 3.348 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cc(F)cc(F)c1O ZINC000858479077 621196229 /nfs/dbraw/zinc/19/62/29/621196229.db2.gz IFBSTKXROTUVLQ-ONGXEEELSA-N 1 2 320.330 3.051 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cc(F)cc(F)c1O ZINC000858531323 621202102 /nfs/dbraw/zinc/20/21/02/621202102.db2.gz DKSIKNPMKOAAHE-FZMZJTMJSA-N 1 2 310.388 3.338 20 10 DGCDLO COc1ccc(N2CC[C@@H](CNc3[nH+]cccc3OC)C2)cc1 ZINC000858582183 621206537 /nfs/dbraw/zinc/20/65/37/621206537.db2.gz NXVFYQNQWHEZPT-AWEZNQCLSA-N 1 2 313.401 3.037 20 10 DGCDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)OCO2 ZINC000121345576 621279241 /nfs/dbraw/zinc/27/92/41/621279241.db2.gz HGWOZFLQEPOCGI-UHFFFAOYSA-N 1 2 307.353 3.237 20 10 DGCDLO COCC[C@H](Cc1ccco1)[NH2+]Cc1cccc(Cl)c1O ZINC000753567567 621449219 /nfs/dbraw/zinc/44/92/19/621449219.db2.gz AVZXHWXHOSIJRX-CYBMUJFWSA-N 1 2 309.793 3.376 20 10 DGCDLO Cc1ccc(C[N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)nc1 ZINC000862339759 621575416 /nfs/dbraw/zinc/57/54/16/621575416.db2.gz GOPAIMHEVDECBE-UHFFFAOYSA-N 1 2 305.372 3.366 20 10 DGCDLO Cc1ccc(C[N@H+](C)Cc2cc(F)c(N(C)C)cc2F)nc1 ZINC000862339759 621575419 /nfs/dbraw/zinc/57/54/19/621575419.db2.gz GOPAIMHEVDECBE-UHFFFAOYSA-N 1 2 305.372 3.366 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000862468859 621592921 /nfs/dbraw/zinc/59/29/21/621592921.db2.gz QIWXEDKWRNSMGJ-LLVKDONJSA-N 1 2 322.758 3.004 20 10 DGCDLO COC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1O ZINC000756343403 621629740 /nfs/dbraw/zinc/62/97/40/621629740.db2.gz YTFOSITWSBKGNJ-JGVFFNPUSA-N 1 2 322.630 3.494 20 10 DGCDLO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756381541 621633504 /nfs/dbraw/zinc/63/35/04/621633504.db2.gz MSIXEYXREKCAQW-MGPLVRAMSA-N 1 2 323.339 3.063 20 10 DGCDLO CC(C)[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)N1CCCC1 ZINC000756398186 621635457 /nfs/dbraw/zinc/63/54/57/621635457.db2.gz CUJBYOIOEBKIDN-MLGOLLRUSA-N 1 2 312.404 3.441 20 10 DGCDLO CC(C)C[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)N(C)C ZINC000756400005 621635526 /nfs/dbraw/zinc/63/55/26/621635526.db2.gz SMDNPDMJRKSLTI-YPMHNXCESA-N 1 2 300.393 3.297 20 10 DGCDLO CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N1CCCC1 ZINC000756398183 621635575 /nfs/dbraw/zinc/63/55/75/621635575.db2.gz CUJBYOIOEBKIDN-LRDDRELGSA-N 1 2 312.404 3.441 20 10 DGCDLO COC[C@H](C)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756464860 621640135 /nfs/dbraw/zinc/64/01/35/621640135.db2.gz IATSZCWWORVZES-BDAKNGLRSA-N 1 2 320.202 3.227 20 10 DGCDLO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756624901 621653575 /nfs/dbraw/zinc/65/35/75/621653575.db2.gz HGOFDJFZZMWOQJ-NWDGAFQWSA-N 1 2 301.377 3.366 20 10 DGCDLO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756713053 621659695 /nfs/dbraw/zinc/65/96/95/621659695.db2.gz SPVADNMRZFGIIX-BWACUDIHSA-N 1 2 321.367 3.486 20 10 DGCDLO C[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756713055 621659976 /nfs/dbraw/zinc/65/99/76/621659976.db2.gz SPVADNMRZFGIIX-NVGCLXPQSA-N 1 2 321.367 3.486 20 10 DGCDLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cc(Cl)ccc1O ZINC000756846601 621668352 /nfs/dbraw/zinc/66/83/52/621668352.db2.gz VQKBFNZKAHHPLH-NSHDSACASA-N 1 2 321.808 3.042 20 10 DGCDLO COc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1C ZINC000758488598 621784817 /nfs/dbraw/zinc/78/48/17/621784817.db2.gz QNQYVAYYNBRRPR-UHFFFAOYSA-N 1 2 305.447 3.442 20 10 DGCDLO CCC(CC)(CO)C[NH2+]Cc1cccc(Br)c1O ZINC000120490362 621896578 /nfs/dbraw/zinc/89/65/78/621896578.db2.gz UDEHANZSEIDUNY-UHFFFAOYSA-N 1 2 316.239 3.043 20 10 DGCDLO Oc1cccc2c1C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C2 ZINC000763477179 622147625 /nfs/dbraw/zinc/14/76/25/622147625.db2.gz DPTVJZBCAPFPBI-GFCCVEGCSA-N 1 2 307.752 3.147 20 10 DGCDLO CN(C)c1ccc(CNc2ccc(N3CCCC3)c[nH+]2)cc1F ZINC000769378908 622522797 /nfs/dbraw/zinc/52/27/97/622522797.db2.gz WQQPKBHDRWEEAN-UHFFFAOYSA-N 1 2 314.408 3.499 20 10 DGCDLO Cc1ccc(C)n1-c1ccsc1C(=O)OCCn1cc[nH+]c1 ZINC000771924383 622817042 /nfs/dbraw/zinc/81/70/42/622817042.db2.gz BWKRNOKBPHWGAB-UHFFFAOYSA-N 1 2 315.398 3.209 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nc(C2CC2)no1 ZINC000774484993 623151210 /nfs/dbraw/zinc/15/12/10/623151210.db2.gz UHXWWHRAEBGKSI-NWDGAFQWSA-N 1 2 300.406 3.425 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000775157873 623236490 /nfs/dbraw/zinc/23/64/90/623236490.db2.gz KXGJWKQZHNWIPD-CQSZACIVSA-N 1 2 312.816 3.291 20 10 DGCDLO C[C@@H]([NH2+]CCC(C)(C)O)c1cc(Br)c(F)cc1O ZINC000775586601 623293720 /nfs/dbraw/zinc/29/37/20/623293720.db2.gz TVTFFKUUEVPRTP-MRVPVSSYSA-N 1 2 320.202 3.105 20 10 DGCDLO OC[C@H]1c2ccccc2CC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775700246 623316202 /nfs/dbraw/zinc/31/62/02/623316202.db2.gz JMFYTCMDMPPKIV-INIZCTEOSA-N 1 2 321.779 3.276 20 10 DGCDLO OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775700246 623316206 /nfs/dbraw/zinc/31/62/06/623316206.db2.gz JMFYTCMDMPPKIV-INIZCTEOSA-N 1 2 321.779 3.276 20 10 DGCDLO CCOC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775700275 623316324 /nfs/dbraw/zinc/31/63/24/623316324.db2.gz MRKLPCOOIDLRIS-NSHDSACASA-N 1 2 301.789 3.433 20 10 DGCDLO CCOC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775700275 623316327 /nfs/dbraw/zinc/31/63/27/623316327.db2.gz MRKLPCOOIDLRIS-NSHDSACASA-N 1 2 301.789 3.433 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000775763745 623327979 /nfs/dbraw/zinc/32/79/79/623327979.db2.gz VZAOMVGBJBBTQI-UHFFFAOYSA-N 1 2 305.761 3.107 20 10 DGCDLO C[C@@H](CN1CCCCC1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000775972268 623359607 /nfs/dbraw/zinc/35/96/07/623359607.db2.gz MUOFZLBWIBHAEK-NSHDSACASA-N 1 2 300.805 3.149 20 10 DGCDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000776004232 623363791 /nfs/dbraw/zinc/36/37/91/623363791.db2.gz ZUBSJACONAMFAD-HZMBPMFUSA-N 1 2 311.809 3.128 20 10 DGCDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000776004232 623363795 /nfs/dbraw/zinc/36/37/95/623363795.db2.gz ZUBSJACONAMFAD-HZMBPMFUSA-N 1 2 311.809 3.128 20 10 DGCDLO COc1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1OC ZINC000776028216 623367545 /nfs/dbraw/zinc/36/75/45/623367545.db2.gz NPVOHBPKZCDSTE-UHFFFAOYSA-N 1 2 307.777 3.353 20 10 DGCDLO CO[C@]1(C)C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1(C)C ZINC000776220060 623398414 /nfs/dbraw/zinc/39/84/14/623398414.db2.gz JTZKJLUIMBELTR-IUODEOHRSA-N 1 2 301.789 3.478 20 10 DGCDLO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC000876619463 623661494 /nfs/dbraw/zinc/66/14/94/623661494.db2.gz YGYVUBUXLSNNME-LBPRGKRZSA-N 1 2 307.340 3.053 20 10 DGCDLO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC000876619463 623661496 /nfs/dbraw/zinc/66/14/96/623661496.db2.gz YGYVUBUXLSNNME-LBPRGKRZSA-N 1 2 307.340 3.053 20 10 DGCDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000876806869 623710829 /nfs/dbraw/zinc/71/08/29/623710829.db2.gz VXAZMBQJCWKYDI-UHFFFAOYSA-N 1 2 300.736 3.294 20 10 DGCDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000876806869 623710832 /nfs/dbraw/zinc/71/08/32/623710832.db2.gz VXAZMBQJCWKYDI-UHFFFAOYSA-N 1 2 300.736 3.294 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(Cl)c1O ZINC000806148080 623745772 /nfs/dbraw/zinc/74/57/72/623745772.db2.gz QHHDYKFCJBWNPC-RISCZKNCSA-N 1 2 324.852 3.486 20 10 DGCDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645507 623976695 /nfs/dbraw/zinc/97/66/95/623976695.db2.gz NJTBFSOUCOAMFE-OAHLLOKOSA-N 1 2 318.804 3.232 20 10 DGCDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645507 623976696 /nfs/dbraw/zinc/97/66/96/623976696.db2.gz NJTBFSOUCOAMFE-OAHLLOKOSA-N 1 2 318.804 3.232 20 10 DGCDLO COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000877707484 623999800 /nfs/dbraw/zinc/99/98/00/623999800.db2.gz UNIGOHNEIBHLNI-OAHLLOKOSA-N 1 2 315.772 3.006 20 10 DGCDLO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000790928583 625716492 /nfs/dbraw/zinc/71/64/92/625716492.db2.gz VVYKXYOKFFKWOD-AWEZNQCLSA-N 1 2 314.832 3.395 20 10 DGCDLO C[C@H](O)CCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000788604266 625224895 /nfs/dbraw/zinc/22/48/95/625224895.db2.gz JGIRTHKKNHAORR-IUCAKERBSA-N 1 2 320.202 3.105 20 10 DGCDLO C[NH+](C)CCN(Cc1c(O)ccc(Cl)c1F)C1CCCC1 ZINC000792174578 625919680 /nfs/dbraw/zinc/91/96/80/625919680.db2.gz JQJCKBGJNBTMMX-UHFFFAOYSA-N 1 2 314.832 3.491 20 10 DGCDLO OC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)CC1CCCC1 ZINC000798961389 626263173 /nfs/dbraw/zinc/26/31/73/626263173.db2.gz YXIIJHSYACVMGT-LBPRGKRZSA-N 1 2 315.816 3.463 20 10 DGCDLO CCSCc1ccc[nH+]c1NCc1cc2c(cc1O)OCO2 ZINC000883378162 626666883 /nfs/dbraw/zinc/66/68/83/626666883.db2.gz APBCXEATMMVVOR-UHFFFAOYSA-N 1 2 318.398 3.381 20 10 DGCDLO COc1ccc(N(C)Cc2[nH+]cc(C)c(OC)c2C)c(OC)c1 ZINC000131928057 626688767 /nfs/dbraw/zinc/68/87/67/626688767.db2.gz YKIWVAZEKIQRHQ-UHFFFAOYSA-N 1 2 316.401 3.361 20 10 DGCDLO CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)c1cccc(Cl)c1O ZINC000806128909 626700298 /nfs/dbraw/zinc/70/02/98/626700298.db2.gz ZFCWSDMIBKEFOQ-HNNXBMFYSA-N 1 2 310.825 3.097 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1O ZINC000806130351 626700478 /nfs/dbraw/zinc/70/04/78/626700478.db2.gz WDEVCWNFCRQYPH-LSDHHAIUSA-N 1 2 318.804 3.313 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132245423 626710349 /nfs/dbraw/zinc/71/03/49/626710349.db2.gz HUZVOMDQQKRSHL-NEPJUHHUSA-N 1 2 301.217 3.025 20 10 DGCDLO CCCCOC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000807273391 626752932 /nfs/dbraw/zinc/75/29/32/626752932.db2.gz VZURTONEZNKXOW-UHFFFAOYSA-N 1 2 318.461 3.452 20 10 DGCDLO CCCCOC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000807273391 626752933 /nfs/dbraw/zinc/75/29/33/626752933.db2.gz VZURTONEZNKXOW-UHFFFAOYSA-N 1 2 318.461 3.452 20 10 DGCDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1c(O)cccc1Cl ZINC000809713990 626940582 /nfs/dbraw/zinc/94/05/82/626940582.db2.gz SUDJPVWJIFTMAR-UHFFFAOYSA-N 1 2 324.852 3.270 20 10 DGCDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1c(O)cccc1Cl ZINC000809713990 626940584 /nfs/dbraw/zinc/94/05/84/626940584.db2.gz SUDJPVWJIFTMAR-UHFFFAOYSA-N 1 2 324.852 3.270 20 10 DGCDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2O)n1 ZINC000809719017 626941547 /nfs/dbraw/zinc/94/15/47/626941547.db2.gz USWHGCYNMDCHFG-CYBMUJFWSA-N 1 2 307.781 3.464 20 10 DGCDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2O)n1 ZINC000809719017 626941549 /nfs/dbraw/zinc/94/15/49/626941549.db2.gz USWHGCYNMDCHFG-CYBMUJFWSA-N 1 2 307.781 3.464 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000809790367 626954183 /nfs/dbraw/zinc/95/41/83/626954183.db2.gz CIJGOPGYWBGNTK-NSHDSACASA-N 1 2 307.752 3.451 20 10 DGCDLO CC[C@H]([NH2+][C@H](CCOC)COC)c1cccc(Cl)c1O ZINC000810258001 626994096 /nfs/dbraw/zinc/99/40/96/626994096.db2.gz XUZVCHHPLSZKOC-RISCZKNCSA-N 1 2 301.814 3.138 20 10 DGCDLO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1nnc2n1CCCCC2 ZINC000886500452 627153681 /nfs/dbraw/zinc/15/36/81/627153681.db2.gz WPOVCNZZINCYFJ-NWDGAFQWSA-N 1 2 318.396 3.261 20 10 DGCDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2c(O)cccc2F)s1 ZINC000886629537 627176604 /nfs/dbraw/zinc/17/66/04/627176604.db2.gz HRWDXTVXBZMKQD-BDAKNGLRSA-N 1 2 324.377 3.186 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@H]2CC2CCC2)c1O ZINC000815293641 627654001 /nfs/dbraw/zinc/65/40/01/627654001.db2.gz KIKDCPXHJUIYHL-MRXNPFEDSA-N 1 2 321.392 3.125 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC[C@H]2CC2CCC2)c1O ZINC000815293641 627654005 /nfs/dbraw/zinc/65/40/05/627654005.db2.gz KIKDCPXHJUIYHL-MRXNPFEDSA-N 1 2 321.392 3.125 20 10 DGCDLO C[C@@H](c1cc(F)cc(F)c1O)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753230 627788433 /nfs/dbraw/zinc/78/84/33/627788433.db2.gz FJDOQGAWAXHQCB-JTQLQIEISA-N 1 2 320.339 3.208 20 10 DGCDLO C[C@@H](c1cc(F)cc(F)c1O)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753230 627788436 /nfs/dbraw/zinc/78/84/36/627788436.db2.gz FJDOQGAWAXHQCB-JTQLQIEISA-N 1 2 320.339 3.208 20 10 DGCDLO C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CCC[C@H](C)C1 ZINC000816535588 627803600 /nfs/dbraw/zinc/80/36/00/627803600.db2.gz UERVCOSLMZZDCS-RYUDHWBXSA-N 1 2 314.832 3.395 20 10 DGCDLO CCC1(O)CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816560219 627808219 /nfs/dbraw/zinc/80/82/19/627808219.db2.gz IMUIOUCLDPAXOR-UHFFFAOYSA-N 1 2 301.789 3.358 20 10 DGCDLO C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817976524 627980731 /nfs/dbraw/zinc/98/07/31/627980731.db2.gz NAXSHGUDQSWEHR-CIUDSAMLSA-N 1 2 307.196 3.050 20 10 DGCDLO COc1ccc(N2CC[NH+]([C@H](C)c3ccc(F)nc3)CC2)cc1 ZINC000929152820 628217337 /nfs/dbraw/zinc/21/73/37/628217337.db2.gz FKDOFEKENRMHRK-CQSZACIVSA-N 1 2 315.392 3.113 20 10 DGCDLO COc1ccc(N2CC[NH+]([C@@H](C)c3ccc(F)nc3)CC2)cc1 ZINC000929152819 628217357 /nfs/dbraw/zinc/21/73/57/628217357.db2.gz FKDOFEKENRMHRK-AWEZNQCLSA-N 1 2 315.392 3.113 20 10 DGCDLO CC(C)C[C@H](C(=O)NCc1cc(Cl)ccc1O)n1cc[nH+]c1 ZINC000824212910 628637202 /nfs/dbraw/zinc/63/72/02/628637202.db2.gz BUVXTMGGPYAKPS-CQSZACIVSA-N 1 2 321.808 3.146 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C(F)F ZINC000824510634 628665949 /nfs/dbraw/zinc/66/59/49/628665949.db2.gz YNQKMBIFSJEPDH-SECBINFHSA-N 1 2 324.165 3.297 20 10 DGCDLO Cc1cc(O)c(C[NH+]2CCN(CC(F)(F)F)CC2)cc1Cl ZINC000824541971 628668656 /nfs/dbraw/zinc/66/86/56/628668656.db2.gz LUNZKBLUGWPGDP-UHFFFAOYSA-N 1 2 322.758 3.034 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1Cl ZINC000825893313 628807733 /nfs/dbraw/zinc/80/77/33/628807733.db2.gz VRZCRSPIMQECTL-NSHDSACASA-N 1 2 305.752 3.210 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2CCOC[C@@H]2CC(F)F)cc1Cl ZINC000825893313 628807735 /nfs/dbraw/zinc/80/77/35/628807735.db2.gz VRZCRSPIMQECTL-NSHDSACASA-N 1 2 305.752 3.210 20 10 DGCDLO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000826790244 628887042 /nfs/dbraw/zinc/88/70/42/628887042.db2.gz AFJARYIBWKNTNM-LLVKDONJSA-N 1 2 300.805 3.147 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000827261092 628943121 /nfs/dbraw/zinc/94/31/21/628943121.db2.gz UOEHOASEBSJHAY-ZDUSSCGKSA-N 1 2 307.752 3.278 20 10 DGCDLO CO[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)C1CCCC1 ZINC000827608453 628976724 /nfs/dbraw/zinc/97/67/24/628976724.db2.gz NKWQVKINIZLHOO-AWEZNQCLSA-N 1 2 301.789 3.480 20 10 DGCDLO COc1c(O)c(C[NH2+]CC(F)(F)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000827722561 628985414 /nfs/dbraw/zinc/98/54/14/628985414.db2.gz MYTBGYRUXTUCAK-UHFFFAOYSA-N 1 2 318.320 3.080 20 10 DGCDLO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000827751353 628988551 /nfs/dbraw/zinc/98/85/51/628988551.db2.gz TXMJYQKVVMEWQK-CZUORRHYSA-N 1 2 311.809 3.257 20 10 DGCDLO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000827751351 628988672 /nfs/dbraw/zinc/98/86/72/628988672.db2.gz TXMJYQKVVMEWQK-BBRMVZONSA-N 1 2 311.809 3.257 20 10 DGCDLO C[C@@H](O)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000827855694 628997573 /nfs/dbraw/zinc/99/75/73/628997573.db2.gz GRZSBBRLCHGOTH-MEBBXXQBSA-N 1 2 309.768 3.396 20 10 DGCDLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@](C)(C(F)F)O1 ZINC000827962090 629008720 /nfs/dbraw/zinc/00/87/20/629008720.db2.gz FSCPUMZUXPYIBU-MEDUHNTESA-N 1 2 316.367 3.136 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@](C)(C(F)F)O1 ZINC000827962090 629008723 /nfs/dbraw/zinc/00/87/23/629008723.db2.gz FSCPUMZUXPYIBU-MEDUHNTESA-N 1 2 316.367 3.136 20 10 DGCDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cccc(Cl)c1O)C2 ZINC000828018607 629015488 /nfs/dbraw/zinc/01/54/88/629015488.db2.gz KXZARXKQKMZHKH-UHFFFAOYSA-N 1 2 319.836 3.364 20 10 DGCDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC000828018607 629015491 /nfs/dbraw/zinc/01/54/91/629015491.db2.gz KXZARXKQKMZHKH-UHFFFAOYSA-N 1 2 319.836 3.364 20 10 DGCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000830027959 629218462 /nfs/dbraw/zinc/21/84/62/629218462.db2.gz CRGQEIXIIMDCOA-YPMHNXCESA-N 1 2 315.392 3.151 20 10 DGCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H](C)[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000830027959 629218466 /nfs/dbraw/zinc/21/84/66/629218466.db2.gz CRGQEIXIIMDCOA-YPMHNXCESA-N 1 2 315.392 3.151 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2ccc(C)cn2)c1O ZINC000831053194 629334226 /nfs/dbraw/zinc/33/42/26/629334226.db2.gz AXSAFGDLOBVRFS-UHFFFAOYSA-N 1 2 302.349 3.069 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2ccc(C)cn2)c1O ZINC000831053194 629334229 /nfs/dbraw/zinc/33/42/29/629334229.db2.gz AXSAFGDLOBVRFS-UHFFFAOYSA-N 1 2 302.349 3.069 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000848926433 631791075 /nfs/dbraw/zinc/79/10/75/631791075.db2.gz XKTSIUZKFLTTLA-UHFFFAOYSA-N 1 2 309.413 3.015 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000848926433 631791080 /nfs/dbraw/zinc/79/10/80/631791080.db2.gz XKTSIUZKFLTTLA-UHFFFAOYSA-N 1 2 309.413 3.015 20 10 DGCDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1c(O)cccc1Br ZINC000707146664 660893610 /nfs/dbraw/zinc/89/36/10/660893610.db2.gz QDPJWOLCPRYMHV-MNOVXSKESA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1c(O)cccc1Br ZINC000707146664 660893611 /nfs/dbraw/zinc/89/36/11/660893611.db2.gz QDPJWOLCPRYMHV-MNOVXSKESA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1O)OC ZINC000708100273 660918038 /nfs/dbraw/zinc/91/80/38/660918038.db2.gz UWVCWUVUEFRFSB-JTQLQIEISA-N 1 2 322.630 3.323 20 10 DGCDLO CC[C@@H](COC)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708098521 660918132 /nfs/dbraw/zinc/91/81/32/660918132.db2.gz JDRZHZCJPPBASQ-JTQLQIEISA-N 1 2 322.630 3.323 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@@H](C)O1 ZINC000708351421 660920179 /nfs/dbraw/zinc/92/01/79/660920179.db2.gz XQCQPQMPBCZSGM-ZWNOBZJWSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@@H](C)O1 ZINC000708351421 660920181 /nfs/dbraw/zinc/92/01/81/660920181.db2.gz XQCQPQMPBCZSGM-ZWNOBZJWSA-N 1 2 314.223 3.154 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000794800521 661105590 /nfs/dbraw/zinc/10/55/90/661105590.db2.gz DGPZUUFAIYHCOL-GOSISDBHSA-N 1 2 321.428 3.058 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1CCCS1 ZINC000715789294 661214606 /nfs/dbraw/zinc/21/46/06/661214606.db2.gz OOEARNSOXMWXLM-SNVBAGLBSA-N 1 2 320.227 3.279 20 10 DGCDLO Cc1nc(C[NH2+]Cc2cccc(Br)c2O)cs1 ZINC000042412610 658774180 /nfs/dbraw/zinc/77/41/80/658774180.db2.gz JFIXIJVKNMMFDF-UHFFFAOYSA-N 1 2 313.220 3.209 20 10 DGCDLO CCOC(=O)C1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000165029601 658962295 /nfs/dbraw/zinc/96/22/95/658962295.db2.gz MJVJRRUHQPPHCP-UHFFFAOYSA-N 1 2 311.809 3.257 20 10 DGCDLO O=C(NCc1ccc(N2CCCC2)cc1)c1cc2c[nH+]ccc2[nH]1 ZINC000930205983 661377940 /nfs/dbraw/zinc/37/79/40/661377940.db2.gz QWKWFPLEXQJIKM-UHFFFAOYSA-N 1 2 320.396 3.093 20 10 DGCDLO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1c(F)cccc1F ZINC000921749921 685316325 /nfs/dbraw/zinc/31/63/25/685316325.db2.gz SCFURSJMMIMVBO-MRXNPFEDSA-N 1 2 319.351 3.113 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]CCC1CCOCC1 ZINC000380780045 685153733 /nfs/dbraw/zinc/15/37/33/685153733.db2.gz WNCCUFUSGCXJAC-UHFFFAOYSA-N 1 2 314.223 3.061 20 10 DGCDLO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCCSC1 ZINC000384174722 685170977 /nfs/dbraw/zinc/17/09/77/685170977.db2.gz VDXOJAOEMFUHRK-SNVBAGLBSA-N 1 2 316.264 3.388 20 10 DGCDLO C[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001332976856 1178532555 /nfs/dbraw/zinc/53/25/55/1178532555.db2.gz RPEFTYJVMZHPIL-GFCCVEGCSA-N 1 2 307.340 3.053 20 10 DGCDLO C[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001332976856 1178532561 /nfs/dbraw/zinc/53/25/61/1178532561.db2.gz RPEFTYJVMZHPIL-GFCCVEGCSA-N 1 2 307.340 3.053 20 10 DGCDLO Cc1ccc(O)c(CNc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC001351354241 1180203411 /nfs/dbraw/zinc/20/34/11/1180203411.db2.gz WCHQTLJUMGZZKI-UHFFFAOYSA-N 1 2 311.389 3.207 20 10 DGCDLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)s1 ZINC001461424336 1182811379 /nfs/dbraw/zinc/81/13/79/1182811379.db2.gz OGLFFGCRJWKTCD-ZCFIWIBFSA-N 1 2 301.774 3.195 20 10 DGCDLO Oc1cc(F)c(F)cc1CN[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001462443491 1182953572 /nfs/dbraw/zinc/95/35/72/1182953572.db2.gz RHVVPAVMTGMXFW-ZDUSSCGKSA-N 1 2 310.388 3.167 20 10 DGCDLO Oc1cc(F)c(F)cc1CN[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001462443491 1182953579 /nfs/dbraw/zinc/95/35/79/1182953579.db2.gz RHVVPAVMTGMXFW-ZDUSSCGKSA-N 1 2 310.388 3.167 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC001462443491 1182953582 /nfs/dbraw/zinc/95/35/82/1182953582.db2.gz RHVVPAVMTGMXFW-ZDUSSCGKSA-N 1 2 310.388 3.167 20 10 DGCDLO CCn1nc(C)c(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1C ZINC001473974236 1183841398 /nfs/dbraw/zinc/84/13/98/1183841398.db2.gz DUBHVNGVIPIECB-UHFFFAOYSA-N 1 2 311.788 3.308 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC001474100695 1183867535 /nfs/dbraw/zinc/86/75/35/1183867535.db2.gz SXWCWBWEYZWQFH-NILFDRSVSA-N 1 2 311.784 3.232 20 10 DGCDLO CCN(C(=O)C[NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC001474709269 1183965642 /nfs/dbraw/zinc/96/56/42/1183965642.db2.gz FNBIXTKTRWFYQP-UHFFFAOYSA-N 1 2 318.804 3.188 20 10 DGCDLO Cc1cc(C[N@@H+]2Cc3ccccc3NC(=O)[C@H]2C)ccc1N(C)C ZINC001559989573 1189266304 /nfs/dbraw/zinc/26/63/04/1189266304.db2.gz SSUMMNLAPMCBES-OAHLLOKOSA-N 1 2 323.440 3.404 20 10 DGCDLO Cc1cc(C[N@H+]2Cc3ccccc3NC(=O)[C@H]2C)ccc1N(C)C ZINC001559989573 1189266307 /nfs/dbraw/zinc/26/63/07/1189266307.db2.gz SSUMMNLAPMCBES-OAHLLOKOSA-N 1 2 323.440 3.404 20 10 DGCDLO COC(=O)[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)CC(C)C ZINC001560863578 1189396185 /nfs/dbraw/zinc/39/61/85/1189396185.db2.gz WYPZCRZCUSBJQU-NSHDSACASA-N 1 2 317.788 3.110 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H](CC)CO1 ZINC001560919314 1189405145 /nfs/dbraw/zinc/40/51/45/1189405145.db2.gz AJVVBQQREWRBDE-UONOGXRCSA-N 1 2 312.404 3.420 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H](CC)CO1 ZINC001560919314 1189405147 /nfs/dbraw/zinc/40/51/47/1189405147.db2.gz AJVVBQQREWRBDE-UONOGXRCSA-N 1 2 312.404 3.420 20 10 DGCDLO Nc1ccc(Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c[nH+]1 ZINC000019951930 1193785356 /nfs/dbraw/zinc/78/53/56/1193785356.db2.gz MVOBQRUSOCEXCS-UHFFFAOYSA-N 1 2 315.332 3.183 20 10 DGCDLO Oc1c(CN2CCC[C@H]2C[NH+]2CCCCC2)ccc(F)c1F ZINC001621133635 1193806941 /nfs/dbraw/zinc/80/69/41/1193806941.db2.gz CWMXJUDEOWDNDI-AWEZNQCLSA-N 1 2 310.388 3.121 20 10 DGCDLO CCc1ccc([C@H]2COCC[N@@H+]2Cc2ccc(C)cc2O)o1 ZINC001621131956 1193807740 /nfs/dbraw/zinc/80/77/40/1193807740.db2.gz LFAQVLNDULPAGR-MRXNPFEDSA-N 1 2 301.386 3.430 20 10 DGCDLO CCc1ccc([C@H]2COCC[N@H+]2Cc2ccc(C)cc2O)o1 ZINC001621131956 1193807743 /nfs/dbraw/zinc/80/77/43/1193807743.db2.gz LFAQVLNDULPAGR-MRXNPFEDSA-N 1 2 301.386 3.430 20 10 DGCDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2ccc(Cl)cc2O)cn1 ZINC001621307879 1193828752 /nfs/dbraw/zinc/82/87/52/1193828752.db2.gz WSDXSNHYIDOIKY-CQSZACIVSA-N 1 2 323.849 3.069 20 10 DGCDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2ccc(Cl)cc2O)cn1 ZINC001621307879 1193828756 /nfs/dbraw/zinc/82/87/56/1193828756.db2.gz WSDXSNHYIDOIKY-CQSZACIVSA-N 1 2 323.849 3.069 20 10 DGCDLO COc1ccc(CNc2nc3ccccc3n3c[nH+]cc23)c(O)c1 ZINC001642619040 1194923924 /nfs/dbraw/zinc/92/39/24/1194923924.db2.gz ORKMJWDGIWNNOC-UHFFFAOYSA-N 1 2 320.352 3.209 20 10 DGCDLO COC(=O)C1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCCCCC1 ZINC001645177752 1195163546 /nfs/dbraw/zinc/16/35/46/1195163546.db2.gz DOXXAKJTWALMNT-UHFFFAOYSA-N 1 2 318.461 3.417 20 10 DGCDLO CCn1c2ccccc2nc1C[NH2+]Cc1ccc(F)c(F)c1O ZINC001652146468 1195553215 /nfs/dbraw/zinc/55/32/15/1195553215.db2.gz NRSKTQUVFPMGKV-UHFFFAOYSA-N 1 2 317.339 3.330 20 10 DGCDLO COc1nscc1C[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC001653155989 1195693219 /nfs/dbraw/zinc/69/32/19/1195693219.db2.gz SIQRIPIBPKDGIA-UHFFFAOYSA-N 1 2 312.822 3.451 20 10 DGCDLO COc1nscc1C[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC001653155989 1195693222 /nfs/dbraw/zinc/69/32/22/1195693222.db2.gz SIQRIPIBPKDGIA-UHFFFAOYSA-N 1 2 312.822 3.451 20 10 DGCDLO COc1nscc1C[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC001653155743 1195693267 /nfs/dbraw/zinc/69/32/67/1195693267.db2.gz NGYXREPSKLPSEM-WAYWQWQTSA-N 1 2 317.458 3.363 20 10 DGCDLO COc1nscc1C[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC001653155743 1195693269 /nfs/dbraw/zinc/69/32/69/1195693269.db2.gz NGYXREPSKLPSEM-WAYWQWQTSA-N 1 2 317.458 3.363 20 10 DGCDLO OCc1ccc(CC[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC001657015085 1196093270 /nfs/dbraw/zinc/09/32/70/1196093270.db2.gz KBVCZCSAJBWWRT-UHFFFAOYSA-N 1 2 309.768 3.009 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC001657219155 1196119283 /nfs/dbraw/zinc/11/92/83/1196119283.db2.gz NDOBJEYFOFEOLA-UHFFFAOYSA-N 1 2 315.323 3.146 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC001657488137 1196147972 /nfs/dbraw/zinc/14/79/72/1196147972.db2.gz SXEUPMFTQYGDKB-NSHDSACASA-N 1 2 321.783 3.354 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC001657488137 1196147978 /nfs/dbraw/zinc/14/79/78/1196147978.db2.gz SXEUPMFTQYGDKB-NSHDSACASA-N 1 2 321.783 3.354 20 10 DGCDLO CCOC(=O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCC1 ZINC001657523443 1196151174 /nfs/dbraw/zinc/15/11/74/1196151174.db2.gz YABLJNNZURMXGY-UHFFFAOYSA-N 1 2 315.772 3.008 20 10 DGCDLO COc1cc(C)cc(C[NH2+][C@@H](CC(C)C)C(=O)OC(C)C)c1O ZINC001657838598 1196182788 /nfs/dbraw/zinc/18/27/88/1196182788.db2.gz UJYSQMMQUQESFV-HNNXBMFYSA-N 1 2 323.433 3.165 20 10 DGCDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001657859373 1196186470 /nfs/dbraw/zinc/18/64/70/1196186470.db2.gz ASGUKLQPTBOAAT-YMTSHVIYSA-N 1 2 316.445 3.039 20 10 DGCDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001657859373 1196186476 /nfs/dbraw/zinc/18/64/76/1196186476.db2.gz ASGUKLQPTBOAAT-YMTSHVIYSA-N 1 2 316.445 3.039 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC001658751244 1196296125 /nfs/dbraw/zinc/29/61/25/1196296125.db2.gz CNSQZAUCCZDFPR-OAHLLOKOSA-N 1 2 316.367 3.214 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC001658751244 1196296127 /nfs/dbraw/zinc/29/61/27/1196296127.db2.gz CNSQZAUCCZDFPR-OAHLLOKOSA-N 1 2 316.367 3.214 20 10 DGCDLO CCCN1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C(C)(C)C1=O ZINC001658946726 1196324007 /nfs/dbraw/zinc/32/40/07/1196324007.db2.gz XATXFIMICKPALL-UHFFFAOYSA-N 1 2 324.852 3.187 20 10 DGCDLO CCCN1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C(C)(C)C1=O ZINC001658946726 1196324010 /nfs/dbraw/zinc/32/40/10/1196324010.db2.gz XATXFIMICKPALL-UHFFFAOYSA-N 1 2 324.852 3.187 20 10 DGCDLO CCOC(=O)C[N@H+](C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC001663855277 1196951510 /nfs/dbraw/zinc/95/15/10/1196951510.db2.gz OTXFEVOLOYVPER-FPLPWBNLSA-N 1 2 304.434 3.039 20 10 DGCDLO CCOC(=O)C[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC001663855277 1196951511 /nfs/dbraw/zinc/95/15/11/1196951511.db2.gz OTXFEVOLOYVPER-FPLPWBNLSA-N 1 2 304.434 3.039 20 10 DGCDLO COCCn1c2ccccc2[nH+]c1NCc1cc(F)ccc1O ZINC001665885857 1197211369 /nfs/dbraw/zinc/21/13/69/1197211369.db2.gz HUGJKZUKVNEHBD-UHFFFAOYSA-N 1 2 315.348 3.140 20 10 DGCDLO CC[C@H]1COCC[N@@H+]1Cc1cc(Br)c(C)cc1O ZINC001237682361 1090316996 /nfs/dbraw/zinc/31/69/96/1090316996.db2.gz RCZMIYHMDPBGDG-LBPRGKRZSA-N 1 2 314.223 3.074 20 10 DGCDLO CC[C@H]1COCC[N@H+]1Cc1cc(Br)c(C)cc1O ZINC001237682361 1090317005 /nfs/dbraw/zinc/31/70/05/1090317005.db2.gz RCZMIYHMDPBGDG-LBPRGKRZSA-N 1 2 314.223 3.074 20 10 DGCDLO CC(C)(C)OCCC[NH2+]Cc1cccc(Br)c1O ZINC000695294786 1091227000 /nfs/dbraw/zinc/22/70/00/1091227000.db2.gz MJWHRTTWYLSSBG-UHFFFAOYSA-N 1 2 316.239 3.450 20 10 DGCDLO C[C@@H](Cc1ccccn1)[NH2+]Cc1cccc(Br)c1O ZINC000694083188 1082909697 /nfs/dbraw/zinc/90/96/97/1082909697.db2.gz WFVWSWDALLLSOM-NSHDSACASA-N 1 2 321.218 3.271 20 10 DGCDLO C[C@H]([NH2+]Cc1cc(F)c(F)cc1O)c1nc(C(C)(C)C)no1 ZINC001181435188 1083475013 /nfs/dbraw/zinc/47/50/13/1083475013.db2.gz AHSHNTAWAMTQDE-QMMMGPOBSA-N 1 2 311.332 3.202 20 10 DGCDLO Oc1c(CNc2cc[nH+]cc2F)cc(Cl)c2cccnc12 ZINC001168521682 1088525388 /nfs/dbraw/zinc/52/53/88/1088525388.db2.gz GMUWBXYIQCDNBB-UHFFFAOYSA-N 1 2 303.724 3.162 20 10 DGCDLO Cc1cc(CN2CCC(F)(F)[C@@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC001206655734 1089118918 /nfs/dbraw/zinc/11/89/18/1089118918.db2.gz IEFWFOZHXNXWDB-KRWDZBQOSA-N 1 2 319.399 3.262 20 10 DGCDLO C[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)CC[C@]1(C)O ZINC001237808680 1090326166 /nfs/dbraw/zinc/32/61/66/1090326166.db2.gz VXZUDRFOOJKSOD-BONVTDFDSA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)CC[C@]1(C)O ZINC001237808680 1090326174 /nfs/dbraw/zinc/32/61/74/1090326174.db2.gz VXZUDRFOOJKSOD-BONVTDFDSA-N 1 2 301.789 3.168 20 10 DGCDLO CCOCC1CC[NH+](Cc2cc(F)cc(Cl)c2O)CC1 ZINC001237800522 1090326353 /nfs/dbraw/zinc/32/63/53/1090326353.db2.gz AAJQCVXCUAAOCH-UHFFFAOYSA-N 1 2 301.789 3.433 20 10 DGCDLO CCN(CC)c1ccc(C[NH+]2CC(N3CCC(F)(F)C3)C2)cc1 ZINC001203943404 1090846623 /nfs/dbraw/zinc/84/66/23/1090846623.db2.gz ZSKCEPMNBWXQMF-UHFFFAOYSA-N 1 2 323.431 3.058 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+]2CCC(=O)C(C)(C)C2)c(OC)c1 ZINC001138388961 1091163264 /nfs/dbraw/zinc/16/32/64/1091163264.db2.gz CMVVSNPPSATORP-UHFFFAOYSA-N 1 2 318.461 3.342 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+]2CCC(=O)C(C)(C)C2)c(OC)c1 ZINC001138388961 1091163272 /nfs/dbraw/zinc/16/32/72/1091163272.db2.gz CMVVSNPPSATORP-UHFFFAOYSA-N 1 2 318.461 3.342 20 10 DGCDLO C[C@H]1C[N@H+](Cc2c(O)cccc2F)[C@@H](c2ccccc2)CO1 ZINC001137841815 1091226088 /nfs/dbraw/zinc/22/60/88/1091226088.db2.gz WHLOMFQCIAPYMS-SUMWQHHRSA-N 1 2 301.361 3.493 20 10 DGCDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2F)[C@@H](c2ccccc2)CO1 ZINC001137841815 1091226099 /nfs/dbraw/zinc/22/60/99/1091226099.db2.gz WHLOMFQCIAPYMS-SUMWQHHRSA-N 1 2 301.361 3.493 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccncc2C)C1 ZINC001205857658 1091381194 /nfs/dbraw/zinc/38/11/94/1091381194.db2.gz LFGNVVGUBTXDOU-UHFFFAOYSA-N 1 2 321.424 3.449 20 10 DGCDLO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccncc2C)C1 ZINC001205857658 1091381205 /nfs/dbraw/zinc/38/12/05/1091381205.db2.gz LFGNVVGUBTXDOU-UHFFFAOYSA-N 1 2 321.424 3.449 20 10 DGCDLO Cc1ccc(C)c(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1O ZINC001140184770 1091795372 /nfs/dbraw/zinc/79/53/72/1091795372.db2.gz HKEDRMOUDHDGCL-MRXNPFEDSA-N 1 2 324.415 3.314 20 10 DGCDLO CCCCc1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)[nH]1 ZINC001141071376 1092127818 /nfs/dbraw/zinc/12/78/18/1092127818.db2.gz MDFHIVJLYYXSSQ-UHFFFAOYSA-N 1 2 300.450 3.450 20 10 DGCDLO CCCCc1ncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)[nH]1 ZINC001141071376 1092127824 /nfs/dbraw/zinc/12/78/24/1092127824.db2.gz MDFHIVJLYYXSSQ-UHFFFAOYSA-N 1 2 300.450 3.450 20 10 DGCDLO CCOC(=O)C[N@H+](C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209516695 1092804986 /nfs/dbraw/zinc/80/49/86/1092804986.db2.gz LYZOTPGBZXZDSZ-UHFFFAOYSA-N 1 2 300.402 3.089 20 10 DGCDLO CCOC(=O)C[N@@H+](C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209516695 1092804992 /nfs/dbraw/zinc/80/49/92/1092804992.db2.gz LYZOTPGBZXZDSZ-UHFFFAOYSA-N 1 2 300.402 3.089 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCc3c(ncn3C)C2)cc1 ZINC001209520474 1092807273 /nfs/dbraw/zinc/80/72/73/1092807273.db2.gz YDWNFHXESFOMBQ-UHFFFAOYSA-N 1 2 320.440 3.386 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCc3c(ncn3C)C2)cc1 ZINC001209520474 1092807279 /nfs/dbraw/zinc/80/72/79/1092807279.db2.gz YDWNFHXESFOMBQ-UHFFFAOYSA-N 1 2 320.440 3.386 20 10 DGCDLO Cc1cccn2cc(C[N@@H+]3CCCc4cc(O)c(O)cc4C3)nc12 ZINC001209740850 1092897489 /nfs/dbraw/zinc/89/74/89/1092897489.db2.gz GXPSMYBVVIDYMX-UHFFFAOYSA-N 1 2 323.396 3.002 20 10 DGCDLO Cc1cccn2cc(C[N@H+]3CCCc4cc(O)c(O)cc4C3)nc12 ZINC001209740850 1092897496 /nfs/dbraw/zinc/89/74/96/1092897496.db2.gz GXPSMYBVVIDYMX-UHFFFAOYSA-N 1 2 323.396 3.002 20 10 DGCDLO C[C@@H]([NH2+]Cc1cccc(Br)c1O)c1cscn1 ZINC000697936652 1095053037 /nfs/dbraw/zinc/05/30/37/1095053037.db2.gz SWGXECUOKXCIPB-MRVPVSSYSA-N 1 2 313.220 3.462 20 10 DGCDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCCC2)cc1 ZINC001116898076 1095694976 /nfs/dbraw/zinc/69/49/76/1095694976.db2.gz CPMKYPUSEDOZFZ-UHFFFAOYSA-N 1 2 304.434 3.060 20 10 DGCDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCCC2)cc1 ZINC001116898076 1095694981 /nfs/dbraw/zinc/69/49/81/1095694981.db2.gz CPMKYPUSEDOZFZ-UHFFFAOYSA-N 1 2 304.434 3.060 20 10 DGCDLO Oc1cccc(F)c1CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001137837812 1095759097 /nfs/dbraw/zinc/75/90/97/1095759097.db2.gz VRAMWDOLAONRPT-HNNXBMFYSA-N 1 2 306.425 3.372 20 10 DGCDLO Oc1cccc(F)c1C[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC001137839198 1095760502 /nfs/dbraw/zinc/76/05/02/1095760502.db2.gz VVKGDAJHJKIGSB-UHFFFAOYSA-N 1 2 322.330 3.132 20 10 DGCDLO C[C@]1(c2ccc(F)cc2)C[N@H+](Cc2c(O)cccc2F)CCO1 ZINC001137839126 1095760763 /nfs/dbraw/zinc/76/07/63/1095760763.db2.gz SJENLSSJOJMIPZ-GOSISDBHSA-N 1 2 319.351 3.418 20 10 DGCDLO C[C@]1(c2ccc(F)cc2)C[N@@H+](Cc2c(O)cccc2F)CCO1 ZINC001137839126 1095760773 /nfs/dbraw/zinc/76/07/73/1095760773.db2.gz SJENLSSJOJMIPZ-GOSISDBHSA-N 1 2 319.351 3.418 20 10 DGCDLO Oc1c(CN2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)ccc(F)c1F ZINC001276856853 1095836089 /nfs/dbraw/zinc/83/60/89/1095836089.db2.gz LIFZGWFOVDWQHP-BLLLJJGKSA-N 1 2 322.399 3.119 20 10 DGCDLO Oc1c(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)ccc(F)c1F ZINC001276856853 1095836113 /nfs/dbraw/zinc/83/61/13/1095836113.db2.gz LIFZGWFOVDWQHP-BLLLJJGKSA-N 1 2 322.399 3.119 20 10 DGCDLO Oc1c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)ccc(F)c1F ZINC001276856892 1095837155 /nfs/dbraw/zinc/83/71/55/1095837155.db2.gz MXJMPOAZNXOVMX-HOTGVXAUSA-N 1 2 322.399 3.262 20 10 DGCDLO Oc1c(CN2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)ccc(F)c1F ZINC001276856892 1095837176 /nfs/dbraw/zinc/83/71/76/1095837176.db2.gz MXJMPOAZNXOVMX-HOTGVXAUSA-N 1 2 322.399 3.262 20 10 DGCDLO C[N@H+](Cc1cnc2ccccn12)Cc1cccc(Cl)c1O ZINC001231910888 1097891225 /nfs/dbraw/zinc/89/12/25/1097891225.db2.gz VHIMLSLFZLIEHC-UHFFFAOYSA-N 1 2 301.777 3.325 20 10 DGCDLO C[N@@H+](Cc1cnc2ccccn12)Cc1cccc(Cl)c1O ZINC001231910888 1097891232 /nfs/dbraw/zinc/89/12/32/1097891232.db2.gz VHIMLSLFZLIEHC-UHFFFAOYSA-N 1 2 301.777 3.325 20 10 DGCDLO CCc1nnc(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)o1 ZINC001231912580 1097891302 /nfs/dbraw/zinc/89/13/02/1097891302.db2.gz PIQLIKIVIYGAJD-UHFFFAOYSA-N 1 2 321.808 3.371 20 10 DGCDLO Cc1nc2c(s1)C[N@H+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232264349 1097984387 /nfs/dbraw/zinc/98/43/87/1097984387.db2.gz AHRCSDHRUGHSDW-UHFFFAOYSA-N 1 2 310.806 3.074 20 10 DGCDLO Cc1nc2c(s1)C[N@@H+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232264349 1097984393 /nfs/dbraw/zinc/98/43/93/1097984393.db2.gz AHRCSDHRUGHSDW-UHFFFAOYSA-N 1 2 310.806 3.074 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1Cl ZINC001232266958 1097986470 /nfs/dbraw/zinc/98/64/70/1097986470.db2.gz TWDYVTAGRBOMHC-OCCSQVGLSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1Cl ZINC001232266958 1097986474 /nfs/dbraw/zinc/98/64/74/1097986474.db2.gz TWDYVTAGRBOMHC-OCCSQVGLSA-N 1 2 323.820 3.388 20 10 DGCDLO COC(=O)c1c(C[NH+]2Cc3ccccc3C2)c2ccccc2n1C ZINC001232402058 1098028973 /nfs/dbraw/zinc/02/89/73/1098028973.db2.gz SDSVTPSXAFTXPF-UHFFFAOYSA-N 1 2 320.392 3.481 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@H](CF)C1 ZINC001233032306 1098208153 /nfs/dbraw/zinc/20/81/53/1098208153.db2.gz ZDNPWSHSGDGPKE-SECBINFHSA-N 1 2 320.177 3.475 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCC[C@H](CF)C1 ZINC001233032306 1098208156 /nfs/dbraw/zinc/20/81/56/1098208156.db2.gz ZDNPWSHSGDGPKE-SECBINFHSA-N 1 2 320.177 3.475 20 10 DGCDLO CC(C)(C)c1ccc(O)c(C[NH+]2CC3(C2)CC(F)(F)CO3)c1 ZINC001233286779 1098276421 /nfs/dbraw/zinc/27/64/21/1098276421.db2.gz IUCVJBOBCAQTEA-UHFFFAOYSA-N 1 2 311.372 3.300 20 10 DGCDLO C[N@@H+]1CCN(Cc2c(O)ccc(F)c2F)C[C@@H]1c1ccccc1 ZINC001233334594 1098292336 /nfs/dbraw/zinc/29/23/36/1098292336.db2.gz MWHFRBQNCRKETC-MRXNPFEDSA-N 1 2 318.367 3.159 20 10 DGCDLO C[N@H+]1CCN(Cc2c(O)ccc(F)c2F)C[C@@H]1c1ccccc1 ZINC001233334594 1098292341 /nfs/dbraw/zinc/29/23/41/1098292341.db2.gz MWHFRBQNCRKETC-MRXNPFEDSA-N 1 2 318.367 3.159 20 10 DGCDLO C[C@H]1C(=O)CC[N@H+](Cc2c(O)ccc(F)c2F)C12CCCC2 ZINC001233336363 1098293749 /nfs/dbraw/zinc/29/37/49/1098293749.db2.gz JJELYBJEPGHTKW-NSHDSACASA-N 1 2 309.356 3.394 20 10 DGCDLO C[C@H]1C(=O)CC[N@@H+](Cc2c(O)ccc(F)c2F)C12CCCC2 ZINC001233336363 1098293754 /nfs/dbraw/zinc/29/37/54/1098293754.db2.gz JJELYBJEPGHTKW-NSHDSACASA-N 1 2 309.356 3.394 20 10 DGCDLO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(O)c1Cl ZINC001236807835 1099800808 /nfs/dbraw/zinc/80/08/08/1099800808.db2.gz SQVKWOFESYYASY-INIZCTEOSA-N 1 2 311.809 3.057 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c(O)c1Cl ZINC001236807835 1099800819 /nfs/dbraw/zinc/80/08/19/1099800819.db2.gz SQVKWOFESYYASY-INIZCTEOSA-N 1 2 311.809 3.057 20 10 DGCDLO Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001237131987 1099985970 /nfs/dbraw/zinc/98/59/70/1099985970.db2.gz ZXSMMENZAWEFCK-ZDUSSCGKSA-N 1 2 321.726 3.185 20 10 DGCDLO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001237131987 1099985976 /nfs/dbraw/zinc/98/59/76/1099985976.db2.gz ZXSMMENZAWEFCK-ZDUSSCGKSA-N 1 2 321.726 3.185 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1Br ZINC001237680248 1100212547 /nfs/dbraw/zinc/21/25/47/1100212547.db2.gz AYFAPCCEKBXFTB-GHMZBOCLSA-N 1 2 314.223 3.072 20 10 DGCDLO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]21 ZINC001237618567 1100189750 /nfs/dbraw/zinc/18/97/50/1100189750.db2.gz IWMOJTXJDFNVMG-RIEGTJTDSA-N 1 2 313.800 3.432 20 10 DGCDLO CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]21 ZINC001237618567 1100189754 /nfs/dbraw/zinc/18/97/54/1100189754.db2.gz IWMOJTXJDFNVMG-RIEGTJTDSA-N 1 2 313.800 3.432 20 10 DGCDLO C[N@H+](Cc1cnc2ccccn12)Cc1cc(Cl)cc(F)c1O ZINC001237617121 1100190484 /nfs/dbraw/zinc/19/04/84/1100190484.db2.gz KWJCUOJQUREPQY-UHFFFAOYSA-N 1 2 319.767 3.464 20 10 DGCDLO C[N@@H+](Cc1cnc2ccccn12)Cc1cc(Cl)cc(F)c1O ZINC001237617121 1100190488 /nfs/dbraw/zinc/19/04/88/1100190488.db2.gz KWJCUOJQUREPQY-UHFFFAOYSA-N 1 2 319.767 3.464 20 10 DGCDLO C[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237616798 1100190868 /nfs/dbraw/zinc/19/08/68/1100190868.db2.gz HPHJTTDEVCUADX-HNNXBMFYSA-N 1 2 301.789 3.169 20 10 DGCDLO C[C@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC001237616798 1100190862 /nfs/dbraw/zinc/19/08/62/1100190862.db2.gz HPHJTTDEVCUADX-HNNXBMFYSA-N 1 2 301.789 3.169 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3ccncc3)C2)c1O ZINC001237688848 1100214503 /nfs/dbraw/zinc/21/45/03/1100214503.db2.gz JVBLNDHWIQVAFM-INIZCTEOSA-N 1 2 318.804 3.323 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3ccncc3)C2)c1O ZINC001237688848 1100214510 /nfs/dbraw/zinc/21/45/10/1100214510.db2.gz JVBLNDHWIQVAFM-INIZCTEOSA-N 1 2 318.804 3.323 20 10 DGCDLO COCc1noc2c1C[N@H+](Cc1cc(Cl)cc(C)c1O)CC2 ZINC001237683337 1100214978 /nfs/dbraw/zinc/21/49/78/1100214978.db2.gz FTULGKZJXOPOPX-UHFFFAOYSA-N 1 2 322.792 3.047 20 10 DGCDLO COCc1noc2c1C[N@@H+](Cc1cc(Cl)cc(C)c1O)CC2 ZINC001237683337 1100214985 /nfs/dbraw/zinc/21/49/85/1100214985.db2.gz FTULGKZJXOPOPX-UHFFFAOYSA-N 1 2 322.792 3.047 20 10 DGCDLO Oc1c(Cl)cc(F)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC001237799536 1100251957 /nfs/dbraw/zinc/25/19/57/1100251957.db2.gz RLXRBTCEWFLMFL-AWEZNQCLSA-N 1 2 312.816 3.245 20 10 DGCDLO Oc1cc(Cl)c(F)cc1C[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001237950176 1100301020 /nfs/dbraw/zinc/30/10/20/1100301020.db2.gz QUKHXHHUPOLNHI-SECBINFHSA-N 1 2 305.777 3.214 20 10 DGCDLO Cc1cc(F)cc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1O ZINC001238059540 1100346261 /nfs/dbraw/zinc/34/62/61/1100346261.db2.gz DOOMXFLKABRSFZ-QGZVFWFLSA-N 1 2 301.361 3.413 20 10 DGCDLO Cc1cc(F)cc(C[N@H+]2CCOC[C@@H]2c2ccccc2)c1O ZINC001238059540 1100346265 /nfs/dbraw/zinc/34/62/65/1100346265.db2.gz DOOMXFLKABRSFZ-QGZVFWFLSA-N 1 2 301.361 3.413 20 10 DGCDLO C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1CCC(C)CC1 ZINC001199850693 1102223681 /nfs/dbraw/zinc/22/36/81/1102223681.db2.gz HVNBKUSQUWORNK-LBPRGKRZSA-N 1 2 314.832 3.395 20 10 DGCDLO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1(C)C ZINC001201657066 1102687812 /nfs/dbraw/zinc/68/78/12/1102687812.db2.gz URLFXIFNVFOHOA-GFWSLJDESA-N 1 2 301.789 3.334 20 10 DGCDLO c1cc(N2CCCC2)ccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC001326050651 1103194684 /nfs/dbraw/zinc/19/46/84/1103194684.db2.gz JMILUXQKBLLOJP-UHFFFAOYSA-N 1 2 314.458 3.306 20 10 DGCDLO C[C@@]1(C[NH2+]Cc2cccc(Br)c2O)CC1(F)F ZINC000689213519 1103832692 /nfs/dbraw/zinc/83/26/92/1103832692.db2.gz VAYBQKFXCYYWLM-NSHDSACASA-N 1 2 306.150 3.290 20 10 DGCDLO CN(C)c1ccc(NCc2cc(F)c(N(C)C)cc2F)c[nH+]1 ZINC001328690561 1104022432 /nfs/dbraw/zinc/02/24/32/1104022432.db2.gz XBQSLXSNBNEEQO-UHFFFAOYSA-N 1 2 306.360 3.104 20 10 DGCDLO Cc1ccc(C[N@@H+]2CCCN(Cc3ccccc3O)CC2)cc1 ZINC001324779582 1108462131 /nfs/dbraw/zinc/46/21/31/1108462131.db2.gz VPZYZEZQNUMRGK-UHFFFAOYSA-N 1 2 310.441 3.409 20 10 DGCDLO Cc1ccc(C[N@H+]2CCCN(Cc3ccccc3O)CC2)cc1 ZINC001324779582 1108462136 /nfs/dbraw/zinc/46/21/36/1108462136.db2.gz VPZYZEZQNUMRGK-UHFFFAOYSA-N 1 2 310.441 3.409 20 10 DGCDLO COc1ccc([N@H+](CCCN2CCOC2=O)CCC(C)C)cc1 ZINC001307743027 1111334301 /nfs/dbraw/zinc/33/43/01/1111334301.db2.gz WZRWTJMOTXHXLO-UHFFFAOYSA-N 1 2 320.433 3.390 20 10 DGCDLO COc1ccc([N@@H+](CCCN2CCOC2=O)CCC(C)C)cc1 ZINC001307743027 1111334306 /nfs/dbraw/zinc/33/43/06/1111334306.db2.gz WZRWTJMOTXHXLO-UHFFFAOYSA-N 1 2 320.433 3.390 20 10 DGCDLO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001308884884 1111489238 /nfs/dbraw/zinc/48/92/38/1111489238.db2.gz YFYSMLYOJVRLHQ-HNNXBMFYSA-N 1 2 318.367 3.381 20 10 DGCDLO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC001308884884 1111489241 /nfs/dbraw/zinc/48/92/41/1111489241.db2.gz YFYSMLYOJVRLHQ-HNNXBMFYSA-N 1 2 318.367 3.381 20 10 DGCDLO CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2cccc(Cl)c2O)C1 ZINC000287771653 535308924 /nfs/dbraw/zinc/30/89/24/535308924.db2.gz RNLWAGYBGULVSC-RISCZKNCSA-N 1 2 310.825 3.097 20 10 DGCDLO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)c(F)c1O ZINC000191207295 299271476 /nfs/dbraw/zinc/27/14/76/299271476.db2.gz KTSFJNNZVJLPOC-JTQLQIEISA-N 1 2 313.344 3.007 20 10 DGCDLO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(F)c(F)c1O ZINC000187748122 296131745 /nfs/dbraw/zinc/13/17/45/296131745.db2.gz IPZQRMZOZMTSEF-DGCLKSJQSA-N 1 2 307.340 3.097 20 10 DGCDLO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(F)c(F)c1O ZINC000187752794 296133741 /nfs/dbraw/zinc/13/37/41/296133741.db2.gz XCRRPUDTBBABCZ-BDAKNGLRSA-N 1 2 305.415 3.170 20 10 DGCDLO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000020563261 182232228 /nfs/dbraw/zinc/23/22/28/182232228.db2.gz KLLFQUNMXCWJGK-LBPRGKRZSA-N 1 2 303.233 3.273 20 10 DGCDLO COc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)ccc1C ZINC000273364233 130111602 /nfs/dbraw/zinc/11/16/02/130111602.db2.gz AZZPDFLFYSWRLD-GFCCVEGCSA-N 1 2 316.357 3.468 20 10 DGCDLO COCCOCCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000273431110 130121304 /nfs/dbraw/zinc/12/13/04/130121304.db2.gz VRPSTTMTSNRZHM-SNVBAGLBSA-N 1 2 322.232 3.403 20 10 DGCDLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000273515497 130130543 /nfs/dbraw/zinc/13/05/43/130130543.db2.gz SNAFOIGHPOVSJS-VIFPVBQESA-N 1 2 310.195 3.037 20 10 DGCDLO Cc1nc(C)c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000273611048 130143671 /nfs/dbraw/zinc/14/36/71/130143671.db2.gz VWCGMDUPOCSVQY-MRVPVSSYSA-N 1 2 307.375 3.225 20 10 DGCDLO CC[C@H]([NH2+][C@@H](C)CO[C@@H]1CCOC1)c1cccc(Cl)c1O ZINC000287577883 131287983 /nfs/dbraw/zinc/28/79/83/131287983.db2.gz HDPDGSGDIAVFOY-ZOWXZIJZSA-N 1 2 313.825 3.280 20 10 DGCDLO C[C@H](c1ccccc1)[N@H+](Cc1cnn(C)n1)Cc1ccccc1O ZINC000289412216 131384718 /nfs/dbraw/zinc/38/47/18/131384718.db2.gz UZPSUMQZEIMDBL-OAHLLOKOSA-N 1 2 322.412 3.284 20 10 DGCDLO C[C@H](c1ccccc1)[N@@H+](Cc1cnn(C)n1)Cc1ccccc1O ZINC000289412216 131384720 /nfs/dbraw/zinc/38/47/20/131384720.db2.gz UZPSUMQZEIMDBL-OAHLLOKOSA-N 1 2 322.412 3.284 20 10 DGCDLO CC[C@H]([NH2+]Cc1ncn(C)n1)c1cc(Cl)cc(Cl)c1O ZINC000287762217 288051487 /nfs/dbraw/zinc/05/14/87/288051487.db2.gz QXMVWXILCXSADQ-NSHDSACASA-N 1 2 315.204 3.068 20 10 DGCDLO CC[C@H]([NH2+][C@@H](CO)CCOC)c1cc(Cl)cc(Cl)c1O ZINC000286967840 288063608 /nfs/dbraw/zinc/06/36/08/288063608.db2.gz IHYAUCCPKQEJGZ-MFKMUULPSA-N 1 2 322.232 3.137 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)[C@@H](CO)SC)c1cccc(Cl)c1O ZINC000287880041 288079386 /nfs/dbraw/zinc/07/93/86/288079386.db2.gz YJJFFURRLZCOOZ-JIMOISOXSA-N 1 2 303.855 3.199 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)[C@H](O)C(F)(F)F ZINC000276912644 288081268 /nfs/dbraw/zinc/08/12/68/288081268.db2.gz LANINZNLCJTYNB-ZIGWGHGNSA-N 1 2 313.266 3.023 20 10 DGCDLO COc1ccc(O)c(C[NH2+]C2(c3noc(C)n3)CCCCC2)c1 ZINC000271836417 432426207 /nfs/dbraw/zinc/42/62/07/432426207.db2.gz FVVNZEGCXCXPHE-UHFFFAOYSA-N 1 2 317.389 3.041 20 10 DGCDLO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185512120 432507768 /nfs/dbraw/zinc/50/77/68/432507768.db2.gz JVHXTRLAOKJKGO-SOCHQFKDSA-N 1 2 324.273 3.462 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185142628 432470464 /nfs/dbraw/zinc/47/04/64/432470464.db2.gz IEGQAVQZGAAXPF-VHSXEESVSA-N 1 2 303.233 3.444 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185142628 432470468 /nfs/dbraw/zinc/47/04/68/432470468.db2.gz IEGQAVQZGAAXPF-VHSXEESVSA-N 1 2 303.233 3.444 20 10 DGCDLO CC(C)(C)OCc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)no1 ZINC000186424295 432594717 /nfs/dbraw/zinc/59/47/17/432594717.db2.gz JJRFUIXKMKULPE-UHFFFAOYSA-N 1 2 316.401 3.214 20 10 DGCDLO CC[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc(Cl)c1O ZINC000296241640 432887927 /nfs/dbraw/zinc/88/79/27/432887927.db2.gz CNINCCYERADRSD-GFCCVEGCSA-N 1 2 306.797 3.282 20 10 DGCDLO CCn1cnnc1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278323655 432890714 /nfs/dbraw/zinc/89/07/14/432890714.db2.gz VHRYZBUUGYUFGA-QMMMGPOBSA-N 1 2 315.204 3.161 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000289721565 432973832 /nfs/dbraw/zinc/97/38/32/432973832.db2.gz JRAFFRCNDZSJDC-DOTOQJQBSA-N 1 2 321.392 3.123 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1O ZINC000289721565 432973837 /nfs/dbraw/zinc/97/38/37/432973837.db2.gz JRAFFRCNDZSJDC-DOTOQJQBSA-N 1 2 321.392 3.123 20 10 DGCDLO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(Cl)c(Cl)c1O ZINC000289787326 432974085 /nfs/dbraw/zinc/97/40/85/432974085.db2.gz NAQIWOKYJDAOEC-MRVPVSSYSA-N 1 2 300.189 3.315 20 10 DGCDLO Oc1ccc2c(c1)OCC[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC000289811657 432975135 /nfs/dbraw/zinc/97/51/35/432975135.db2.gz SWHYETYXUNJHPQ-UHFFFAOYSA-N 1 2 305.761 3.146 20 10 DGCDLO Oc1ccc2c(c1)OCC[N@H+](Cc1cccc(Cl)c1O)C2 ZINC000289811657 432975137 /nfs/dbraw/zinc/97/51/37/432975137.db2.gz SWHYETYXUNJHPQ-UHFFFAOYSA-N 1 2 305.761 3.146 20 10 DGCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](CC)c2ccc(F)cc2O)no1 ZINC000290034569 432983150 /nfs/dbraw/zinc/98/31/50/432983150.db2.gz DCQVDKYKMDZPJG-MFKMUULPSA-N 1 2 323.368 3.253 20 10 DGCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](CC)c2ccc(C)cc2O)no1 ZINC000290183163 433008505 /nfs/dbraw/zinc/00/85/05/433008505.db2.gz NSGXJGGFGNQJBD-TZMCWYRMSA-N 1 2 319.405 3.422 20 10 DGCDLO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185468006 292723645 /nfs/dbraw/zinc/72/36/45/292723645.db2.gz UCOQDIBQYRGDGB-OTYXRUKQSA-N 1 2 322.232 3.137 20 10 DGCDLO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(F)c(F)c1O ZINC000191193841 289963484 /nfs/dbraw/zinc/96/34/84/289963484.db2.gz TXGCWQURTGLOLX-LKFCYVNXSA-N 1 2 311.303 3.194 20 10 DGCDLO OC[C@@]1([NH2+]Cc2cccc(Cl)c2O)CCCc2ccccc21 ZINC000282119364 433504305 /nfs/dbraw/zinc/50/43/05/433504305.db2.gz AQPHAUNQUDQVRU-SFHVURJKSA-N 1 2 317.816 3.359 20 10 DGCDLO COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000273447791 293157865 /nfs/dbraw/zinc/15/78/65/293157865.db2.gz FLNOIHAAEABZBF-LRDDRELGSA-N 1 2 316.357 3.339 20 10 DGCDLO C[N@H+](Cc1cc2c(cc1O)OCO2)Cc1c(F)cccc1F ZINC000293754038 433853924 /nfs/dbraw/zinc/85/39/24/433853924.db2.gz XDTRIWRGXUYEIM-UHFFFAOYSA-N 1 2 307.296 3.031 20 10 DGCDLO C[N@@H+](Cc1cc2c(cc1O)OCO2)Cc1c(F)cccc1F ZINC000293754038 433853927 /nfs/dbraw/zinc/85/39/27/433853927.db2.gz XDTRIWRGXUYEIM-UHFFFAOYSA-N 1 2 307.296 3.031 20 10 DGCDLO COCC[N@H+](Cc1cccnc1)Cc1cc(Cl)c(F)cc1O ZINC000293816308 433881121 /nfs/dbraw/zinc/88/11/21/433881121.db2.gz FMDDQUWQPNZDGC-UHFFFAOYSA-N 1 2 324.783 3.228 20 10 DGCDLO COCC[N@@H+](Cc1cccnc1)Cc1cc(Cl)c(F)cc1O ZINC000293816308 433881133 /nfs/dbraw/zinc/88/11/33/433881133.db2.gz FMDDQUWQPNZDGC-UHFFFAOYSA-N 1 2 324.783 3.228 20 10 DGCDLO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ncn(-c3ccccc3)n2)c(O)c1 ZINC000295026587 434160287 /nfs/dbraw/zinc/16/02/87/434160287.db2.gz OCVOXCOOTIRNDF-OAHLLOKOSA-N 1 2 322.412 3.441 20 10 DGCDLO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000364069017 434223053 /nfs/dbraw/zinc/22/30/53/434223053.db2.gz FMEKBIJBXFZNBA-CQSZACIVSA-N 1 2 322.836 3.023 20 10 DGCDLO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000364069017 434223065 /nfs/dbraw/zinc/22/30/65/434223065.db2.gz FMEKBIJBXFZNBA-CQSZACIVSA-N 1 2 322.836 3.023 20 10 DGCDLO CC[C@@H]([NH2+]CCC(=O)N(C)C)c1cc(Cl)cc(Cl)c1O ZINC000287882888 434470241 /nfs/dbraw/zinc/47/02/41/434470241.db2.gz YNXWJXYMIOEXPG-GFCCVEGCSA-N 1 2 319.232 3.218 20 10 DGCDLO CC[C@@H]([NH2+]C[C@@H](COC)OC)c1cc(Cl)cc(Cl)c1O ZINC000287885170 434472736 /nfs/dbraw/zinc/47/27/36/434472736.db2.gz YQSCOFXIGFNFNR-GXFFZTMASA-N 1 2 322.232 3.401 20 10 DGCDLO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2noc(C)n2)c1 ZINC000367475476 434547922 /nfs/dbraw/zinc/54/79/22/434547922.db2.gz ZUBPDJTZJXHNCU-HNNXBMFYSA-N 1 2 317.389 3.210 20 10 DGCDLO CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2noc(C)n2)c1 ZINC000367475476 434547932 /nfs/dbraw/zinc/54/79/32/434547932.db2.gz ZUBPDJTZJXHNCU-HNNXBMFYSA-N 1 2 317.389 3.210 20 10 DGCDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc3c(c2)CCO3)cs1 ZINC000267648780 523474624 /nfs/dbraw/zinc/47/46/24/523474624.db2.gz TWTWYBWLOAHVQL-NSHDSACASA-N 1 2 304.415 3.075 20 10 DGCDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cs1 ZINC000267598879 523475908 /nfs/dbraw/zinc/47/59/08/523475908.db2.gz DBUCYGHQZFFBCE-NSHDSACASA-N 1 2 323.437 3.345 20 10 DGCDLO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(F)c(F)c1O ZINC000191213232 525460334 /nfs/dbraw/zinc/46/03/34/525460334.db2.gz WIFFEVQBARFODK-VIFPVBQESA-N 1 2 307.296 3.250 20 10 DGCDLO COc1ccc(C2([NH2+]Cc3cc([N+](=O)[O-])ccc3O)CC2)cc1 ZINC000731678623 574556817 /nfs/dbraw/zinc/55/68/17/574556817.db2.gz SZTPLGATJJCIHR-UHFFFAOYSA-N 1 2 314.341 3.088 20 10 DGCDLO Cc1nc(C(C)(C)[NH2+]Cc2cc(C(C)(C)C)cc(O)c2O)no1 ZINC000729849764 575264542 /nfs/dbraw/zinc/26/45/42/575264542.db2.gz AIJZMIIRLFINKT-UHFFFAOYSA-N 1 2 319.405 3.112 20 10 DGCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCc1[nH]c[nH+]c1C ZINC000748406366 575584657 /nfs/dbraw/zinc/58/46/57/575584657.db2.gz OJNCNKQOLOOVPC-UHFFFAOYSA-N 1 2 314.414 3.117 20 10 DGCDLO CCCN(CC)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726712979 576037236 /nfs/dbraw/zinc/03/72/36/576037236.db2.gz IHAPCGGVWOHRKQ-UHFFFAOYSA-N 1 2 319.449 3.106 20 10 DGCDLO COCCCCC[NH2+]Cc1cccc(Br)c1O ZINC000101596283 629744031 /nfs/dbraw/zinc/74/40/31/629744031.db2.gz WMDMFKJTYMEHAC-UHFFFAOYSA-N 1 2 302.212 3.061 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cccc(Cl)c1O ZINC000806129442 617663106 /nfs/dbraw/zinc/66/31/06/617663106.db2.gz FZNYSJYDHSJNSS-OAHLLOKOSA-N 1 2 318.804 3.385 20 10 DGCDLO Cc1cc(Br)c(O)c(C[NH+]2CC(C(F)(F)F)C2)c1 ZINC000894892199 618489569 /nfs/dbraw/zinc/48/95/69/618489569.db2.gz ZHFDVQGUNKMOIY-UHFFFAOYSA-N 1 2 324.140 3.457 20 10 DGCDLO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cc(CO)on2)cc1F ZINC000925014394 618764417 /nfs/dbraw/zinc/76/44/17/618764417.db2.gz QEMHKOVCKUUXLC-GFCCVEGCSA-N 1 2 321.396 3.003 20 10 DGCDLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000895577450 618801263 /nfs/dbraw/zinc/80/12/63/618801263.db2.gz KUNSPZMDWKCSDN-GFCCVEGCSA-N 1 2 309.715 3.199 20 10 DGCDLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000895577450 618801266 /nfs/dbraw/zinc/80/12/66/618801266.db2.gz KUNSPZMDWKCSDN-GFCCVEGCSA-N 1 2 309.715 3.199 20 10 DGCDLO Cn1ccc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000896494145 618920242 /nfs/dbraw/zinc/92/02/42/618920242.db2.gz ZSHGNHGWFNPQQV-NSHDSACASA-N 1 2 323.799 3.298 20 10 DGCDLO Cn1ccc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000896494145 618920245 /nfs/dbraw/zinc/92/02/45/618920245.db2.gz ZSHGNHGWFNPQQV-NSHDSACASA-N 1 2 323.799 3.298 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897271255 619040272 /nfs/dbraw/zinc/04/02/72/619040272.db2.gz JOQWLNLYSPCUDV-ZDUSSCGKSA-N 1 2 311.372 3.309 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897271255 619040274 /nfs/dbraw/zinc/04/02/74/619040274.db2.gz JOQWLNLYSPCUDV-ZDUSSCGKSA-N 1 2 311.372 3.309 20 10 DGCDLO OC[C@@]1(c2ccccc2)C[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000897360092 619082275 /nfs/dbraw/zinc/08/22/75/619082275.db2.gz WLRQAFDZKSZRNV-RHNCMZPLSA-N 1 2 317.816 3.228 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897431854 619118824 /nfs/dbraw/zinc/11/88/24/619118824.db2.gz IKFUXSGNTRAYFK-UHFFFAOYSA-N 1 2 323.799 3.471 20 10 DGCDLO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc(Cl)c1O ZINC000841763021 619166407 /nfs/dbraw/zinc/16/64/07/619166407.db2.gz TUQFCZOXWIRHNU-ZWNOBZJWSA-N 1 2 318.795 3.426 20 10 DGCDLO COC(=O)CC1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000898215242 619222401 /nfs/dbraw/zinc/22/24/01/619222401.db2.gz KEHINJSFJARHMC-UHFFFAOYSA-N 1 2 311.809 3.257 20 10 DGCDLO COc1cc(O)c(C[NH2+]Cc2cccc(Cl)c2O)cc1OC ZINC000898219324 619222888 /nfs/dbraw/zinc/22/28/88/619222888.db2.gz XABYCLXGFQTYES-UHFFFAOYSA-N 1 2 323.776 3.058 20 10 DGCDLO COc1cccc(C[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)n1 ZINC000898219561 619222975 /nfs/dbraw/zinc/22/29/75/619222975.db2.gz ZOLKXMQHJXDUIL-LLVKDONJSA-N 1 2 306.793 3.170 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000898511642 619281971 /nfs/dbraw/zinc/28/19/71/619281971.db2.gz CZUGGZJAAHAJSD-STQMWFEESA-N 1 2 311.372 3.309 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000898511642 619281974 /nfs/dbraw/zinc/28/19/74/619281974.db2.gz CZUGGZJAAHAJSD-STQMWFEESA-N 1 2 311.372 3.309 20 10 DGCDLO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2O)C1 ZINC000903450390 619778467 /nfs/dbraw/zinc/77/84/67/619778467.db2.gz GYSNPPHVMBWSHU-UMNHJUIQSA-N 1 2 313.344 3.053 20 10 DGCDLO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCn3cccc3C2)c1 ZINC000905743843 620025577 /nfs/dbraw/zinc/02/55/77/620025577.db2.gz ALGNUCCKDSIPRA-UHFFFAOYSA-N 1 2 300.402 3.213 20 10 DGCDLO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCn3cccc3C2)c1 ZINC000905743843 620025578 /nfs/dbraw/zinc/02/55/78/620025578.db2.gz ALGNUCCKDSIPRA-UHFFFAOYSA-N 1 2 300.402 3.213 20 10 DGCDLO CCCCN(Cc1ccccc1O)C(=O)CNc1cccc[nH+]1 ZINC000908045923 620187802 /nfs/dbraw/zinc/18/78/02/620187802.db2.gz VLWVCCOZNAIEQF-UHFFFAOYSA-N 1 2 313.401 3.028 20 10 DGCDLO CC[C@H]([NH2+][C@H]1CC=C(C(=O)OC)C1)c1cccc(Cl)c1O ZINC000858471147 621194894 /nfs/dbraw/zinc/19/48/94/621194894.db2.gz BMZVUXAIWIOJML-FZMZJTMJSA-N 1 2 309.793 3.348 20 10 DGCDLO CC(C)(CCCO)C[NH2+]Cc1cccc(Br)c1O ZINC000221384381 621566895 /nfs/dbraw/zinc/56/68/95/621566895.db2.gz CNDXBOZKNJBMMF-UHFFFAOYSA-N 1 2 316.239 3.043 20 10 DGCDLO Cc1ccncc1C[N@@H+](C)Cc1c(O)cccc1Br ZINC000862351605 621577026 /nfs/dbraw/zinc/57/70/26/621577026.db2.gz RMGQRWHGBLLKKZ-UHFFFAOYSA-N 1 2 321.218 3.490 20 10 DGCDLO Cc1ccncc1C[N@H+](C)Cc1c(O)cccc1Br ZINC000862351605 621577029 /nfs/dbraw/zinc/57/70/29/621577029.db2.gz RMGQRWHGBLLKKZ-UHFFFAOYSA-N 1 2 321.218 3.490 20 10 DGCDLO C[C@@H]([NH2+][C@H]1CCOC1)c1cc(Br)cc(Cl)c1O ZINC000756770560 621663279 /nfs/dbraw/zinc/66/32/79/621663279.db2.gz WBYOGRWHQFVEQA-APPZFPTMSA-N 1 2 320.614 3.248 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H](C)N1CCC[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000756410837 621636448 /nfs/dbraw/zinc/63/64/48/621636448.db2.gz KJTKFRYOCQZGDT-JHJVBQTASA-N 1 2 312.404 3.441 20 10 DGCDLO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756460799 621639937 /nfs/dbraw/zinc/63/99/37/621639937.db2.gz SYFHVLYZZDDQNB-UPJWGTAASA-N 1 2 312.404 3.441 20 10 DGCDLO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756460797 621639967 /nfs/dbraw/zinc/63/99/67/621639967.db2.gz SYFHVLYZZDDQNB-JHJVBQTASA-N 1 2 312.404 3.441 20 10 DGCDLO C[C@H]([NH2+]CCCNc1ccccn1)c1cc(F)cc(F)c1O ZINC000756642643 621655013 /nfs/dbraw/zinc/65/50/13/621655013.db2.gz PEQQPAPJWLVZLU-NSHDSACASA-N 1 2 307.344 3.218 20 10 DGCDLO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756762754 621662959 /nfs/dbraw/zinc/66/29/59/621662959.db2.gz RAHWXZPBWGQJSC-MEDUHNTESA-N 1 2 307.340 3.363 20 10 DGCDLO C[C@H]([NH2+]Cc1ccon1)c1ccc(N2CCOCC2)cc1Cl ZINC000766420606 622328291 /nfs/dbraw/zinc/32/82/91/622328291.db2.gz IUNJHTHMRVWRKP-LBPRGKRZSA-N 1 2 321.808 3.015 20 10 DGCDLO CN(Cc1ccccc1O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000770510156 622640196 /nfs/dbraw/zinc/64/01/96/622640196.db2.gz ZPFZQIWZHNSDJD-IBGZPJMESA-N 1 2 310.441 3.489 20 10 DGCDLO CN(Cc1ccccc1O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000770510156 622640199 /nfs/dbraw/zinc/64/01/99/622640199.db2.gz ZPFZQIWZHNSDJD-IBGZPJMESA-N 1 2 310.441 3.489 20 10 DGCDLO Cc1nonc1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000872135000 622827311 /nfs/dbraw/zinc/82/73/11/622827311.db2.gz BQZRFZKVQWMRAW-LURJTMIESA-N 1 2 302.161 3.241 20 10 DGCDLO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1nc(C2CC2)no1 ZINC000774484997 623151345 /nfs/dbraw/zinc/15/13/45/623151345.db2.gz UHXWWHRAEBGKSI-VXGBXAGGSA-N 1 2 300.406 3.425 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000775658741 623306606 /nfs/dbraw/zinc/30/66/06/623306606.db2.gz PUDSANLZFJWXAU-SNVBAGLBSA-N 1 2 309.772 3.287 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000775658741 623306610 /nfs/dbraw/zinc/30/66/10/623306610.db2.gz PUDSANLZFJWXAU-SNVBAGLBSA-N 1 2 309.772 3.287 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000776174662 623390433 /nfs/dbraw/zinc/39/04/33/623390433.db2.gz RHZXUOAEPAVZQL-UHFFFAOYSA-N 1 2 322.758 3.162 20 10 DGCDLO CN1Cc2ccccc2[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000776254413 623401541 /nfs/dbraw/zinc/40/15/41/623401541.db2.gz UZXXDLAYVWWIHG-INIZCTEOSA-N 1 2 320.795 3.461 20 10 DGCDLO OCC[N@H+](Cc1ccc(F)c(F)c1O)[C@H]1CCc2ccccc21 ZINC000876737381 623692055 /nfs/dbraw/zinc/69/20/55/623692055.db2.gz SKYZZMIMPCUHGQ-INIZCTEOSA-N 1 2 319.351 3.152 20 10 DGCDLO OCC[N@@H+](Cc1ccc(F)c(F)c1O)[C@H]1CCc2ccccc21 ZINC000876737381 623692058 /nfs/dbraw/zinc/69/20/58/623692058.db2.gz SKYZZMIMPCUHGQ-INIZCTEOSA-N 1 2 319.351 3.152 20 10 DGCDLO O=C(Nc1ccccc1)C1([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000779226482 623745020 /nfs/dbraw/zinc/74/50/20/623745020.db2.gz SCHDANHSCFELDH-UHFFFAOYSA-N 1 2 316.788 3.307 20 10 DGCDLO Cc1ccc(C[N@@H+]2CCSC[C@H]2c2nccs2)c(O)c1 ZINC000877404351 623870906 /nfs/dbraw/zinc/87/09/06/623870906.db2.gz CIAZEIVQNWKWFX-ZDUSSCGKSA-N 1 2 306.456 3.447 20 10 DGCDLO Cc1ccc(C[N@H+]2CCSC[C@H]2c2nccs2)c(O)c1 ZINC000877404351 623870914 /nfs/dbraw/zinc/87/09/14/623870914.db2.gz CIAZEIVQNWKWFX-ZDUSSCGKSA-N 1 2 306.456 3.447 20 10 DGCDLO Cc1ccc(C[N@H+](C)Cc2csc(C(C)(C)O)n2)c(O)c1 ZINC000877572672 623948641 /nfs/dbraw/zinc/94/86/41/623948641.db2.gz HGKXKTKXSWVNAX-UHFFFAOYSA-N 1 2 306.431 3.017 20 10 DGCDLO Cc1ccc(C[N@@H+](C)Cc2csc(C(C)(C)O)n2)c(O)c1 ZINC000877572672 623948646 /nfs/dbraw/zinc/94/86/46/623948646.db2.gz HGKXKTKXSWVNAX-UHFFFAOYSA-N 1 2 306.431 3.017 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000877727614 624006200 /nfs/dbraw/zinc/00/62/00/624006200.db2.gz CYPZENUPWXPRRV-GFCCVEGCSA-N 1 2 313.800 3.481 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000781896040 624166856 /nfs/dbraw/zinc/16/68/56/624166856.db2.gz GMJHFZOKHPYCSJ-WDEREUQCSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000781896040 624166858 /nfs/dbraw/zinc/16/68/58/624166858.db2.gz GMJHFZOKHPYCSJ-WDEREUQCSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000786577692 624925446 /nfs/dbraw/zinc/92/54/46/624925446.db2.gz CWEYPVMOWBRKAQ-OAHLLOKOSA-N 1 2 323.795 3.186 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883003162 625893603 /nfs/dbraw/zinc/89/36/03/625893603.db2.gz BITCPLYPCFWXIJ-UHFFFAOYSA-N 1 2 306.356 3.335 20 10 DGCDLO CO[C@H](C)[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000883100456 625927609 /nfs/dbraw/zinc/92/76/09/625927609.db2.gz YKGHINVSVPVUJI-JGVFFNPUSA-N 1 2 322.630 3.321 20 10 DGCDLO CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cccc(Cl)c1O ZINC000806146624 626702368 /nfs/dbraw/zinc/70/23/68/626702368.db2.gz WCLABVWYSNMSRN-CYBMUJFWSA-N 1 2 312.841 3.391 20 10 DGCDLO CC[C@@H]([NH2+][C@@H](C)COCCOC)c1cccc(Cl)c1O ZINC000806147964 626702527 /nfs/dbraw/zinc/70/25/27/626702527.db2.gz PBCKNCDBMREDMW-SMDDNHRTSA-N 1 2 301.814 3.138 20 10 DGCDLO C[N@@H+]1CC[C@@H]2CN(Cc3cc4oc5ccccc5c4cc3O)C[C@@H]21 ZINC000840131902 626809005 /nfs/dbraw/zinc/80/90/05/626809005.db2.gz FCDUKEZAQJXQMK-DYVFJYSZSA-N 1 2 322.408 3.428 20 10 DGCDLO C[N@H+]1CC[C@@H]2CN(Cc3cc4oc5ccccc5c4cc3O)C[C@@H]21 ZINC000840131902 626809009 /nfs/dbraw/zinc/80/90/09/626809009.db2.gz FCDUKEZAQJXQMK-DYVFJYSZSA-N 1 2 322.408 3.428 20 10 DGCDLO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cc(F)cc(F)c1O ZINC000808727580 626854211 /nfs/dbraw/zinc/85/42/11/626854211.db2.gz JJLNVZNBXKPGBU-GHMZBOCLSA-N 1 2 305.324 3.497 20 10 DGCDLO C[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)c1nnc2n1CCCCC2 ZINC000886500454 627153410 /nfs/dbraw/zinc/15/34/10/627153410.db2.gz WPOVCNZZINCYFJ-VXGBXAGGSA-N 1 2 318.396 3.261 20 10 DGCDLO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1c(O)cccc1F ZINC000886547884 627160786 /nfs/dbraw/zinc/16/07/86/627160786.db2.gz SZDWDYZZULCIBA-NOZJJQNGSA-N 1 2 311.303 3.194 20 10 DGCDLO C[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)c1c(O)cccc1F ZINC000886625306 627176240 /nfs/dbraw/zinc/17/62/40/627176240.db2.gz NEWHYVQJSKBNFM-QMMMGPOBSA-N 1 2 315.270 3.191 20 10 DGCDLO Cc1cc(C[N@H+]2C[C@@H](C(F)(F)F)OC[C@H]2C)ccc1N(C)C ZINC000815116355 627629413 /nfs/dbraw/zinc/62/94/13/627629413.db2.gz KFYPVJSQTMTCSA-DOMZBBRYSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(C[N@@H+]2C[C@@H](C(F)(F)F)OC[C@H]2C)ccc1N(C)C ZINC000815116355 627629415 /nfs/dbraw/zinc/62/94/15/627629415.db2.gz KFYPVJSQTMTCSA-DOMZBBRYSA-N 1 2 316.367 3.213 20 10 DGCDLO CC(C)(C)C[N@H+](CCCO)Cc1cc(Cl)c(F)cc1O ZINC000816505496 627798552 /nfs/dbraw/zinc/79/85/52/627798552.db2.gz YKBCKZQULUQBFA-UHFFFAOYSA-N 1 2 303.805 3.415 20 10 DGCDLO CC(C)(C)C[N@@H+](CCCO)Cc1cc(Cl)c(F)cc1O ZINC000816505496 627798554 /nfs/dbraw/zinc/79/85/54/627798554.db2.gz YKBCKZQULUQBFA-UHFFFAOYSA-N 1 2 303.805 3.415 20 10 DGCDLO CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CCOCC1 ZINC000816556294 627807781 /nfs/dbraw/zinc/80/77/81/627807781.db2.gz FJULCMJQEUWLTN-AWEZNQCLSA-N 1 2 301.789 3.480 20 10 DGCDLO CN(C)CC[N@H+](Cc1cc(Cl)c(F)cc1O)C1CCCC1 ZINC000816574829 627810323 /nfs/dbraw/zinc/81/03/23/627810323.db2.gz TVECFOZOPKLNSH-UHFFFAOYSA-N 1 2 314.832 3.491 20 10 DGCDLO CN(C)CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CCCC1 ZINC000816574829 627810325 /nfs/dbraw/zinc/81/03/25/627810325.db2.gz TVECFOZOPKLNSH-UHFFFAOYSA-N 1 2 314.832 3.491 20 10 DGCDLO OC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)C1CCCCC1 ZINC000816649536 627820230 /nfs/dbraw/zinc/82/02/30/627820230.db2.gz BEABRDPSDXYXGM-ZDUSSCGKSA-N 1 2 315.816 3.463 20 10 DGCDLO CC[C@H]([NH2+]CC1CC2(C1)OCCO2)c1cccc(Cl)c1O ZINC000927002398 627995627 /nfs/dbraw/zinc/99/56/27/627995627.db2.gz VFHDLRQJCGGZLV-AWEZNQCLSA-N 1 2 311.809 3.239 20 10 DGCDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)s1 ZINC000818355874 628017531 /nfs/dbraw/zinc/01/75/31/628017531.db2.gz KJRJERYOXDVQRX-DTWKUNHWSA-N 1 2 324.377 3.186 20 10 DGCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@](C)(O)c1ccccc1 ZINC000822516951 628459968 /nfs/dbraw/zinc/45/99/68/628459968.db2.gz RLOFKANCJDYURL-KRWDZBQOSA-N 1 2 305.805 3.385 20 10 DGCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@](C)(O)c1ccccc1 ZINC000822516951 628459971 /nfs/dbraw/zinc/45/99/71/628459971.db2.gz RLOFKANCJDYURL-KRWDZBQOSA-N 1 2 305.805 3.385 20 10 DGCDLO Cc1[nH+]c(NCc2ccc(N(C)C)cc2)ccc1-c1cnn(C)c1 ZINC000824445779 628661422 /nfs/dbraw/zinc/66/14/22/628661422.db2.gz NIQFCRGGNKQILW-UHFFFAOYSA-N 1 2 321.428 3.469 20 10 DGCDLO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000824861505 628701311 /nfs/dbraw/zinc/70/13/11/628701311.db2.gz MKCWDZFNOPOUFU-OCCSQVGLSA-N 1 2 311.809 3.257 20 10 DGCDLO CCn1ccnc1[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000825006183 628715336 /nfs/dbraw/zinc/71/53/36/628715336.db2.gz ZILJMXFOEKWCBS-JTQLQIEISA-N 1 2 324.222 3.222 20 10 DGCDLO Cc1cccc(C[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)c1O ZINC000825045690 628720673 /nfs/dbraw/zinc/72/06/73/628720673.db2.gz JKAJRYJYJBQGCN-QGZVFWFLSA-N 1 2 301.361 3.413 20 10 DGCDLO Cc1cccc(C[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)c1O ZINC000825045690 628720676 /nfs/dbraw/zinc/72/06/76/628720676.db2.gz JKAJRYJYJBQGCN-QGZVFWFLSA-N 1 2 301.361 3.413 20 10 DGCDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(C)cc2O)n1 ZINC000825899767 628809316 /nfs/dbraw/zinc/80/93/16/628809316.db2.gz DVTFHMOBZHQXCQ-ZDUSSCGKSA-N 1 2 307.781 3.383 20 10 DGCDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc(Cl)c(C)cc2O)n1 ZINC000825899767 628809317 /nfs/dbraw/zinc/80/93/17/628809317.db2.gz DVTFHMOBZHQXCQ-ZDUSSCGKSA-N 1 2 307.781 3.383 20 10 DGCDLO C[C@]1(F)CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826030474 628821434 /nfs/dbraw/zinc/82/14/34/628821434.db2.gz ZMTONSZSIXPKKQ-ZDUSSCGKSA-N 1 2 302.187 3.479 20 10 DGCDLO C[C@]1(F)CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000826030474 628821436 /nfs/dbraw/zinc/82/14/36/628821436.db2.gz ZMTONSZSIXPKKQ-ZDUSSCGKSA-N 1 2 302.187 3.479 20 10 DGCDLO CO[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)C1CCCC1 ZINC000827608454 628976815 /nfs/dbraw/zinc/97/68/15/628976815.db2.gz NKWQVKINIZLHOO-CQSZACIVSA-N 1 2 301.789 3.480 20 10 DGCDLO Oc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC000827658108 628980728 /nfs/dbraw/zinc/98/07/28/628980728.db2.gz VJYXRGAJWZPAMF-UHFFFAOYSA-N 1 2 305.761 3.146 20 10 DGCDLO Oc1ccc2c(c1)C[N@H+](Cc1cc(Cl)ccc1O)CCO2 ZINC000827658108 628980730 /nfs/dbraw/zinc/98/07/30/628980730.db2.gz VJYXRGAJWZPAMF-UHFFFAOYSA-N 1 2 305.761 3.146 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@](C)(C(F)F)O1 ZINC000827962088 629008572 /nfs/dbraw/zinc/00/85/72/629008572.db2.gz FSCPUMZUXPYIBU-BZNIZROVSA-N 1 2 316.367 3.136 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@](C)(C(F)F)O1 ZINC000827962088 629008575 /nfs/dbraw/zinc/00/85/75/629008575.db2.gz FSCPUMZUXPYIBU-BZNIZROVSA-N 1 2 316.367 3.136 20 10 DGCDLO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)cc1 ZINC000834881812 629795997 /nfs/dbraw/zinc/79/59/97/629795997.db2.gz BLDRDUOCQZCEMS-GFCCVEGCSA-N 1 2 306.841 3.380 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1cccc(Cl)c1O ZINC000834916441 629808296 /nfs/dbraw/zinc/80/82/96/629808296.db2.gz YTHMCLPTDVPVSS-TUKIKUTGSA-N 1 2 322.836 3.240 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000840951184 630383162 /nfs/dbraw/zinc/38/31/62/630383162.db2.gz TXSPRDILKUGXGA-QGZVFWFLSA-N 1 2 312.461 3.378 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000840951184 630383165 /nfs/dbraw/zinc/38/31/65/630383165.db2.gz TXSPRDILKUGXGA-QGZVFWFLSA-N 1 2 312.461 3.378 20 10 DGCDLO Oc1cccc(Cl)c1CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000841067314 630403684 /nfs/dbraw/zinc/40/36/84/630403684.db2.gz ASPKLALQUFOQGF-MRXNPFEDSA-N 1 2 302.805 3.022 20 10 DGCDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@@]1(O)CCc2ccccc21 ZINC000843422913 630656136 /nfs/dbraw/zinc/65/61/36/630656136.db2.gz YNORCXJHXOQYRT-SFHVURJKSA-N 1 2 317.816 3.311 20 10 DGCDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@@]1(O)CCc2ccccc21 ZINC000843422913 630656138 /nfs/dbraw/zinc/65/61/38/630656138.db2.gz YNORCXJHXOQYRT-SFHVURJKSA-N 1 2 317.816 3.311 20 10 DGCDLO CC(C)[C@H]([NH2+]Cc1cccc(Cl)c1O)C1(CO)CC=CC1 ZINC000843433253 630658254 /nfs/dbraw/zinc/65/82/54/630658254.db2.gz VABWHSJKDIXQMT-INIZCTEOSA-N 1 2 309.837 3.489 20 10 DGCDLO C[C@@H](O)[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1F ZINC000846017766 631206321 /nfs/dbraw/zinc/20/63/21/631206321.db2.gz PVDXCXIJOOMNQU-MEBBXXQBSA-N 1 2 309.768 3.396 20 10 DGCDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@@](C)(O)c1ccccc1 ZINC000846039449 631207561 /nfs/dbraw/zinc/20/75/61/631207561.db2.gz SUFCXKTYRVIKFJ-YVEFUNNKSA-N 1 2 305.805 3.431 20 10 DGCDLO C[C@@H](CO)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000846058476 631208627 /nfs/dbraw/zinc/20/86/27/631208627.db2.gz PPHXTEKMWYFOAS-JTQLQIEISA-N 1 2 301.789 3.025 20 10 DGCDLO CC(=O)c1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)on1 ZINC000846776629 631301945 /nfs/dbraw/zinc/30/19/45/631301945.db2.gz UMUGIAFWGZBZNC-UHFFFAOYSA-N 1 2 313.401 3.108 20 10 DGCDLO CC(=O)c1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)on1 ZINC000846776629 631301951 /nfs/dbraw/zinc/30/19/51/631301951.db2.gz UMUGIAFWGZBZNC-UHFFFAOYSA-N 1 2 313.401 3.108 20 10 DGCDLO CCc1cccc(C[N@@H+]2CCOC[C@@H]2c2ccc(C)o2)c1O ZINC000848887354 631771924 /nfs/dbraw/zinc/77/19/24/631771924.db2.gz UMAYNOVFSPRAIB-MRXNPFEDSA-N 1 2 301.386 3.430 20 10 DGCDLO CCc1cccc(C[N@H+]2CCOC[C@@H]2c2ccc(C)o2)c1O ZINC000848887354 631771930 /nfs/dbraw/zinc/77/19/30/631771930.db2.gz UMAYNOVFSPRAIB-MRXNPFEDSA-N 1 2 301.386 3.430 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848927825 631791056 /nfs/dbraw/zinc/79/10/56/631791056.db2.gz OIOMPURRZWRXIO-CABCVRRESA-N 1 2 312.816 3.291 20 10 DGCDLO CC[C@H]([NH2+]C[C@@H](OC)[C@H]1CCOC1)c1cccc(Cl)c1O ZINC000850485214 632167128 /nfs/dbraw/zinc/16/71/28/632167128.db2.gz ZAZKYQOSPFDZAO-TUKIKUTGSA-N 1 2 313.825 3.138 20 10 DGCDLO CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1cccc(Cl)c1O ZINC000850498828 632172535 /nfs/dbraw/zinc/17/25/35/632172535.db2.gz DQCRJYSSLHXFCY-JIMOISOXSA-N 1 2 306.797 3.384 20 10 DGCDLO CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1cccc(Cl)c1O ZINC000850498827 632172742 /nfs/dbraw/zinc/17/27/42/632172742.db2.gz DQCRJYSSLHXFCY-ICCXJUOJSA-N 1 2 306.797 3.384 20 10 DGCDLO C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000850544121 632187970 /nfs/dbraw/zinc/18/79/70/632187970.db2.gz TUPRETARZZTSTJ-STQMWFEESA-N 1 2 312.404 3.441 20 10 DGCDLO Cc1ccc(O)c([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)c1 ZINC000186250960 660354411 /nfs/dbraw/zinc/35/44/11/660354411.db2.gz LVBJJMBYPKXGKI-AWEZNQCLSA-N 1 2 313.401 3.105 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000707140242 660887349 /nfs/dbraw/zinc/88/73/49/660887349.db2.gz OONJAKYWLBGTQH-QWRGUYRKSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000707140242 660887351 /nfs/dbraw/zinc/88/73/51/660887351.db2.gz OONJAKYWLBGTQH-QWRGUYRKSA-N 1 2 314.223 3.154 20 10 DGCDLO Oc1c(Br)cc(Cl)cc1C[NH2+]C[C@H]1CCCO1 ZINC000708056474 660917067 /nfs/dbraw/zinc/91/70/67/660917067.db2.gz LOPGHYSSUDSRIO-SNVBAGLBSA-N 1 2 320.614 3.077 20 10 DGCDLO CC[C@H](COC)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708098522 660918079 /nfs/dbraw/zinc/91/80/79/660918079.db2.gz JDRZHZCJPPBASQ-SNVBAGLBSA-N 1 2 322.630 3.323 20 10 DGCDLO CCn1ncnc1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000794832859 661108358 /nfs/dbraw/zinc/10/83/58/661108358.db2.gz CFXKMTZWDHSHSW-QMMMGPOBSA-N 1 2 315.204 3.161 20 10 DGCDLO Cc1cc(O)c(C[N@H+]2C[C@H](C(F)(F)F)OC[C@H]2C)cc1C ZINC000795694932 661168344 /nfs/dbraw/zinc/16/83/44/661168344.db2.gz UVZWEHBFNRMBSA-BXUZGUMPSA-N 1 2 303.324 3.161 20 10 DGCDLO Cc1cc(O)c(C[N@@H+]2C[C@H](C(F)(F)F)OC[C@H]2C)cc1C ZINC000795694932 661168345 /nfs/dbraw/zinc/16/83/45/661168345.db2.gz UVZWEHBFNRMBSA-BXUZGUMPSA-N 1 2 303.324 3.161 20 10 DGCDLO COC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(C)C ZINC000715745216 661214196 /nfs/dbraw/zinc/21/41/96/661214196.db2.gz OZSTXWUOPYQCIY-GFCCVEGCSA-N 1 2 320.202 3.054 20 10 DGCDLO C[C@H]1CSC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715768163 661214624 /nfs/dbraw/zinc/21/46/24/661214624.db2.gz BWRKFSWABCGALW-WRWORJQWSA-N 1 2 320.227 3.135 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+]CC1CC(F)(F)C1 ZINC000715805553 661214903 /nfs/dbraw/zinc/21/49/03/661214903.db2.gz XXDYBYGLYSXSLW-UHFFFAOYSA-N 1 2 324.140 3.429 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000715805937 661215069 /nfs/dbraw/zinc/21/50/69/661215069.db2.gz NDXGIUPRXLXJDC-MRVPVSSYSA-N 1 2 306.150 3.085 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H](CF)C1 ZINC000715805937 661215071 /nfs/dbraw/zinc/21/50/71/661215071.db2.gz NDXGIUPRXLXJDC-MRVPVSSYSA-N 1 2 306.150 3.085 20 10 DGCDLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000179194837 658381013 /nfs/dbraw/zinc/38/10/13/658381013.db2.gz KYVMXMMOINUEBQ-HNNXBMFYSA-N 1 2 304.434 3.060 20 10 DGCDLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000179194837 658381029 /nfs/dbraw/zinc/38/10/29/658381029.db2.gz KYVMXMMOINUEBQ-HNNXBMFYSA-N 1 2 304.434 3.060 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250769898 660001016 /nfs/dbraw/zinc/00/10/16/660001016.db2.gz YTWKTWHUAFJPGA-ZDUSSCGKSA-N 1 2 315.244 3.369 20 10 DGCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000250769898 660001017 /nfs/dbraw/zinc/00/10/17/660001017.db2.gz YTWKTWHUAFJPGA-ZDUSSCGKSA-N 1 2 315.244 3.369 20 10 DGCDLO C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)[C@@H]1C[NH3+] ZINC000070175415 660040383 /nfs/dbraw/zinc/04/03/83/660040383.db2.gz GJHIXPPGJTXDGU-NOZJJQNGSA-N 1 2 303.233 3.258 20 10 DGCDLO CN1CC[N@H+](Cc2cc(F)ccc2O)[C@@H](c2ccccc2)C1 ZINC000245534031 662234785 /nfs/dbraw/zinc/23/47/85/662234785.db2.gz VXNCAXFSCOJEFV-QGZVFWFLSA-N 1 2 300.377 3.020 20 10 DGCDLO CN1CC[N@@H+](Cc2cc(F)ccc2O)[C@@H](c2ccccc2)C1 ZINC000245534031 662234786 /nfs/dbraw/zinc/23/47/86/662234786.db2.gz VXNCAXFSCOJEFV-QGZVFWFLSA-N 1 2 300.377 3.020 20 10 DGCDLO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)OC[C@H]2C)c1O ZINC000245856647 662242879 /nfs/dbraw/zinc/24/28/79/662242879.db2.gz NRYGLPVKANIVOX-MNOVXSKESA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)c1O ZINC000245856647 662242881 /nfs/dbraw/zinc/24/28/81/662242881.db2.gz NRYGLPVKANIVOX-MNOVXSKESA-N 1 2 314.223 3.072 20 10 DGCDLO C[C@H]1CCC[C@@](C[NH2+]Cc2cc(F)cc(F)c2O)(N(C)C)C1 ZINC001661084466 1196563483 /nfs/dbraw/zinc/56/34/83/1196563483.db2.gz WDHRJTIBOUDSGC-YVEFUNNKSA-N 1 2 312.404 3.271 20 10 DGCDLO CC[C@@H]([NH2+]Cc1cccc(C)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001590469787 1192512198 /nfs/dbraw/zinc/51/21/98/1192512198.db2.gz QXMXBTDYZSKLKY-MRXNPFEDSA-N 1 2 323.400 3.122 20 10 DGCDLO C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1(C)C ZINC000211457856 1176083627 /nfs/dbraw/zinc/08/36/27/1176083627.db2.gz ARWJPEYKWROTNN-UHFFFAOYSA-N 1 2 303.233 3.225 20 10 DGCDLO C[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1(C)C ZINC000211457856 1176083635 /nfs/dbraw/zinc/08/36/35/1176083635.db2.gz ARWJPEYKWROTNN-UHFFFAOYSA-N 1 2 303.233 3.225 20 10 DGCDLO COc1ccc(CNc2[nH+]cccc2OC(C)C)c(O)c1OC ZINC001355281288 1181026715 /nfs/dbraw/zinc/02/67/15/1181026715.db2.gz XJWXLWFGLAUPGI-UHFFFAOYSA-N 1 2 318.373 3.204 20 10 DGCDLO COc1ccc2c(c1)CCCC[N@H+]2CCc1ccc(C(N)=O)cc1 ZINC001459776997 1182615130 /nfs/dbraw/zinc/61/51/30/1182615130.db2.gz DCNCUYTWGJJOKG-UHFFFAOYSA-N 1 2 324.424 3.180 20 10 DGCDLO COc1ccc2c(c1)CCCC[N@@H+]2CCc1ccc(C(N)=O)cc1 ZINC001459776997 1182615134 /nfs/dbraw/zinc/61/51/34/1182615134.db2.gz DCNCUYTWGJJOKG-UHFFFAOYSA-N 1 2 324.424 3.180 20 10 DGCDLO Oc1cc(F)c(F)cc1CN[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001462443481 1182954003 /nfs/dbraw/zinc/95/40/03/1182954003.db2.gz RHVVPAVMTGMXFW-CYBMUJFWSA-N 1 2 310.388 3.167 20 10 DGCDLO Oc1cc(F)c(F)cc1CN[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001462443481 1182954009 /nfs/dbraw/zinc/95/40/09/1182954009.db2.gz RHVVPAVMTGMXFW-CYBMUJFWSA-N 1 2 310.388 3.167 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC001462443481 1182954011 /nfs/dbraw/zinc/95/40/11/1182954011.db2.gz RHVVPAVMTGMXFW-CYBMUJFWSA-N 1 2 310.388 3.167 20 10 DGCDLO O=c1[nH]c2cc(C[NH2+]Cc3cccc(Cl)c3O)ccc2o1 ZINC001474697755 1183963647 /nfs/dbraw/zinc/96/36/47/1183963647.db2.gz DBZVJNKJVKOXCH-UHFFFAOYSA-N 1 2 304.733 3.182 20 10 DGCDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC001560437334 1189328974 /nfs/dbraw/zinc/32/89/74/1189328974.db2.gz LXXJCMVDSYCQHW-LBPRGKRZSA-N 1 2 313.250 3.172 20 10 DGCDLO COc1cccc(F)c1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001560604255 1189347287 /nfs/dbraw/zinc/34/72/87/1189347287.db2.gz PTNGIRXCDYZVNW-UHFFFAOYSA-N 1 2 324.346 3.468 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001560711600 1189365641 /nfs/dbraw/zinc/36/56/41/1189365641.db2.gz OUDNSNPAEHLTOR-INIZCTEOSA-N 1 2 319.351 3.114 20 10 DGCDLO Oc1c(F)cc(F)cc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001560711600 1189365651 /nfs/dbraw/zinc/36/56/51/1189365651.db2.gz OUDNSNPAEHLTOR-INIZCTEOSA-N 1 2 319.351 3.114 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H](CC)CO1 ZINC001560919312 1189405613 /nfs/dbraw/zinc/40/56/13/1189405613.db2.gz AJVVBQQREWRBDE-KBPBESRZSA-N 1 2 312.404 3.420 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H](CC)CO1 ZINC001560919312 1189405616 /nfs/dbraw/zinc/40/56/16/1189405616.db2.gz AJVVBQQREWRBDE-KBPBESRZSA-N 1 2 312.404 3.420 20 10 DGCDLO C[N@@H+]1CCN(Cc2cc(F)cc(F)c2O)[C@H](c2ccccc2)C1 ZINC001621112244 1193804147 /nfs/dbraw/zinc/80/41/47/1193804147.db2.gz ICFOQVVBHNBNFB-KRWDZBQOSA-N 1 2 318.367 3.159 20 10 DGCDLO C[N@H+]1CCN(Cc2cc(F)cc(F)c2O)[C@H](c2ccccc2)C1 ZINC001621112244 1193804149 /nfs/dbraw/zinc/80/41/49/1193804149.db2.gz ICFOQVVBHNBNFB-KRWDZBQOSA-N 1 2 318.367 3.159 20 10 DGCDLO CC(C)c1ccc(O)c(C[NH2+]Cc2ncn(-c3ccccc3)n2)c1 ZINC001621356965 1193832983 /nfs/dbraw/zinc/83/29/83/1193832983.db2.gz OIGRUILKNJXGBZ-UHFFFAOYSA-N 1 2 322.412 3.386 20 10 DGCDLO CN(C)c1nccc2c1C[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC001621568293 1193860078 /nfs/dbraw/zinc/86/00/78/1193860078.db2.gz JBJIHWPXRUBVRI-UHFFFAOYSA-N 1 2 317.820 3.065 20 10 DGCDLO CN(C)c1nccc2c1C[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC001621568293 1193860080 /nfs/dbraw/zinc/86/00/80/1193860080.db2.gz JBJIHWPXRUBVRI-UHFFFAOYSA-N 1 2 317.820 3.065 20 10 DGCDLO Cc1nc2sccn2c1C[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001651841052 1195516060 /nfs/dbraw/zinc/51/60/60/1195516060.db2.gz BNKFKVMPRHQFPQ-UHFFFAOYSA-N 1 2 323.368 3.320 20 10 DGCDLO Cc1nc2sccn2c1C[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001651841052 1195516065 /nfs/dbraw/zinc/51/60/65/1195516065.db2.gz BNKFKVMPRHQFPQ-UHFFFAOYSA-N 1 2 323.368 3.320 20 10 DGCDLO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001651844515 1195516235 /nfs/dbraw/zinc/51/62/35/1195516235.db2.gz AAVBKALCXGBTCK-OAHLLOKOSA-N 1 2 321.367 3.444 20 10 DGCDLO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1O ZINC001651844515 1195516237 /nfs/dbraw/zinc/51/62/37/1195516237.db2.gz AAVBKALCXGBTCK-OAHLLOKOSA-N 1 2 321.367 3.444 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1c(F)cncc1F ZINC001652430117 1195597186 /nfs/dbraw/zinc/59/71/86/1195597186.db2.gz PBNVUQJZTOEYPA-SSDOTTSWSA-N 1 2 300.255 3.194 20 10 DGCDLO Oc1cccc2c1C[N@H+](Cc1cc(Cl)cc3c1OCC3)C2 ZINC001653000273 1195679102 /nfs/dbraw/zinc/67/91/02/1195679102.db2.gz NVMOZEIYCOFWID-UHFFFAOYSA-N 1 2 301.773 3.496 20 10 DGCDLO Oc1cccc2c1C[N@@H+](Cc1cc(Cl)cc3c1OCC3)C2 ZINC001653000273 1195679105 /nfs/dbraw/zinc/67/91/05/1195679105.db2.gz NVMOZEIYCOFWID-UHFFFAOYSA-N 1 2 301.773 3.496 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCOc1cccc(F)c1 ZINC001656142817 1196009251 /nfs/dbraw/zinc/00/92/51/1196009251.db2.gz BDMMFIRKJVIJJN-UHFFFAOYSA-N 1 2 313.731 3.492 20 10 DGCDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001658899748 1196317259 /nfs/dbraw/zinc/31/72/59/1196317259.db2.gz YIUFBCZSDYMFPW-YEODSOHDSA-N 1 2 316.445 3.182 20 10 DGCDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC001658899748 1196317264 /nfs/dbraw/zinc/31/72/64/1196317264.db2.gz YIUFBCZSDYMFPW-YEODSOHDSA-N 1 2 316.445 3.182 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@@H+]2CCN(c3ccccc3)C(=O)C2)c1 ZINC001660517494 1196493441 /nfs/dbraw/zinc/49/34/41/1196493441.db2.gz WKKRHAFREJLFRT-UHFFFAOYSA-N 1 2 324.424 3.364 20 10 DGCDLO CC(C)c1ccc(O)c(C[N@H+]2CCN(c3ccccc3)C(=O)C2)c1 ZINC001660517494 1196493444 /nfs/dbraw/zinc/49/34/44/1196493444.db2.gz WKKRHAFREJLFRT-UHFFFAOYSA-N 1 2 324.424 3.364 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[NH+]1CCC(CF)CC1 ZINC001233032220 1098208564 /nfs/dbraw/zinc/20/85/64/1098208564.db2.gz WKWHTDITHYGOMI-UHFFFAOYSA-N 1 2 320.177 3.475 20 10 DGCDLO OC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)Cc1ccccc1 ZINC001648916659 1082565041 /nfs/dbraw/zinc/56/50/41/1082565041.db2.gz DWRIBBKJPYNUOM-ZDUSSCGKSA-N 1 2 323.795 3.126 20 10 DGCDLO CC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204321815 1083638380 /nfs/dbraw/zinc/63/83/80/1083638380.db2.gz KYWIAOZFNTXAPR-UHFFFAOYSA-N 1 2 318.461 3.450 20 10 DGCDLO CC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCCC2)cc1 ZINC001204321815 1083638387 /nfs/dbraw/zinc/63/83/87/1083638387.db2.gz KYWIAOZFNTXAPR-UHFFFAOYSA-N 1 2 318.461 3.450 20 10 DGCDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)c1nc(C(F)(F)F)n[nH]1 ZINC001184001573 1084086051 /nfs/dbraw/zinc/08/60/51/1084086051.db2.gz DLWFWTVLKOYASE-ZCFIWIBFSA-N 1 2 320.702 3.033 20 10 DGCDLO C[N@H+](CCC(=O)c1cccs1)Cc1c(O)ccc(F)c1F ZINC001233335541 1087658362 /nfs/dbraw/zinc/65/83/62/1087658362.db2.gz ADHDRLXVMVGJKJ-UHFFFAOYSA-N 1 2 311.353 3.437 20 10 DGCDLO C[N@@H+](CCC(=O)c1cccs1)Cc1c(O)ccc(F)c1F ZINC001233335541 1087658365 /nfs/dbraw/zinc/65/83/65/1087658365.db2.gz ADHDRLXVMVGJKJ-UHFFFAOYSA-N 1 2 311.353 3.437 20 10 DGCDLO COc1cc(C)c[nH+]c1NCc1cc(Br)ccc1O ZINC001160019246 1088604923 /nfs/dbraw/zinc/60/49/23/1088604923.db2.gz DKXUNXBDUWENRK-UHFFFAOYSA-N 1 2 323.190 3.479 20 10 DGCDLO CNc1ccc(Nc2ccccc2C(=O)c2ccncc2)c[nH+]1 ZINC001203462304 1090738394 /nfs/dbraw/zinc/73/83/94/1090738394.db2.gz PKENVYLVORIGJE-UHFFFAOYSA-N 1 2 304.353 3.493 20 10 DGCDLO Oc1ccccc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001203561652 1090756623 /nfs/dbraw/zinc/75/66/23/1090756623.db2.gz XRLRTYHJLLEOQB-HKUYNNGSSA-N 1 2 308.425 3.099 20 10 DGCDLO Oc1ccccc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001203561652 1090756627 /nfs/dbraw/zinc/75/66/27/1090756627.db2.gz XRLRTYHJLLEOQB-HKUYNNGSSA-N 1 2 308.425 3.099 20 10 DGCDLO Oc1ccccc1C[N@@H+]1CCn2cc(-c3ccccc3)nc2C1 ZINC001203561331 1090757070 /nfs/dbraw/zinc/75/70/70/1090757070.db2.gz QPEDDHVCPOPTKV-UHFFFAOYSA-N 1 2 305.381 3.272 20 10 DGCDLO Oc1ccccc1C[N@H+]1CCn2cc(-c3ccccc3)nc2C1 ZINC001203561331 1090757076 /nfs/dbraw/zinc/75/70/76/1090757076.db2.gz QPEDDHVCPOPTKV-UHFFFAOYSA-N 1 2 305.381 3.272 20 10 DGCDLO CCCCCCN1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203627545 1090769131 /nfs/dbraw/zinc/76/91/31/1090769131.db2.gz IERUHQUSEZZEKZ-UHFFFAOYSA-N 1 2 306.450 3.099 20 10 DGCDLO CCN(CC)c1ccc(C[NH+]2CC3(C2)CCCCO3)c(OC)c1 ZINC001138386094 1091161068 /nfs/dbraw/zinc/16/10/68/1091161068.db2.gz GYLXAMXBSVMRCF-UHFFFAOYSA-N 1 2 318.461 3.296 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+]2CCC(=O)[C@@H](F)CC2)c(OC)c1 ZINC001138386845 1091161129 /nfs/dbraw/zinc/16/11/29/1091161129.db2.gz XXUIQRKKTLTCNB-INIZCTEOSA-N 1 2 322.424 3.044 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+]2CCC(=O)[C@@H](F)CC2)c(OC)c1 ZINC001138386845 1091161133 /nfs/dbraw/zinc/16/11/33/1091161133.db2.gz XXUIQRKKTLTCNB-INIZCTEOSA-N 1 2 322.424 3.044 20 10 DGCDLO Oc1cc(F)c(F)cc1C[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC001205394425 1091210913 /nfs/dbraw/zinc/21/09/13/1091210913.db2.gz OZDUBJZRELPHTL-LBPRGKRZSA-N 1 2 313.250 3.172 20 10 DGCDLO Oc1cc2c(cc1O)C[N@H+](Cc1ccnc(Cl)c1)CCC2 ZINC001138820274 1091341308 /nfs/dbraw/zinc/34/13/08/1091341308.db2.gz XOMTUPPHZGZDSS-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Oc1cc2c(cc1O)C[N@@H+](Cc1ccnc(Cl)c1)CCC2 ZINC001138820274 1091341319 /nfs/dbraw/zinc/34/13/19/1091341319.db2.gz XOMTUPPHZGZDSS-UHFFFAOYSA-N 1 2 304.777 3.095 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001139124535 1091456545 /nfs/dbraw/zinc/45/65/45/1091456545.db2.gz BTWFWOOMRVRSOP-UONOGXRCSA-N 1 2 313.397 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001139124535 1091456550 /nfs/dbraw/zinc/45/65/50/1091456550.db2.gz BTWFWOOMRVRSOP-UONOGXRCSA-N 1 2 313.397 3.429 20 10 DGCDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001139129549 1091459681 /nfs/dbraw/zinc/45/96/81/1091459681.db2.gz ALEGHRLJYHKNHQ-VXGBXAGGSA-N 1 2 301.386 3.285 20 10 DGCDLO C[C@@]1(F)CC[N@H+](Cc2c(O)cccc2Br)C[C@@H]1F ZINC001140098606 1091766817 /nfs/dbraw/zinc/76/68/17/1091766817.db2.gz HNOQUSOEDFXYBZ-QWHCGFSZSA-N 1 2 320.177 3.427 20 10 DGCDLO C[C@@]1(F)CC[N@@H+](Cc2c(O)cccc2Br)C[C@@H]1F ZINC001140098606 1091766824 /nfs/dbraw/zinc/76/68/24/1091766824.db2.gz HNOQUSOEDFXYBZ-QWHCGFSZSA-N 1 2 320.177 3.427 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001140584204 1091919332 /nfs/dbraw/zinc/91/93/32/1091919332.db2.gz IVZCQAMXOJLGEL-HNNXBMFYSA-N 1 2 319.351 3.462 20 10 DGCDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001140584204 1091919341 /nfs/dbraw/zinc/91/93/41/1091919341.db2.gz IVZCQAMXOJLGEL-HNNXBMFYSA-N 1 2 319.351 3.462 20 10 DGCDLO CCOC(=O)C[N@H+](Cc1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC001336286245 1094616537 /nfs/dbraw/zinc/61/65/37/1094616537.db2.gz PVKTUJXORYBXMR-HNNXBMFYSA-N 1 2 312.413 3.395 20 10 DGCDLO CCOC(=O)C[N@@H+](Cc1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC001336286245 1094616541 /nfs/dbraw/zinc/61/65/41/1094616541.db2.gz PVKTUJXORYBXMR-HNNXBMFYSA-N 1 2 312.413 3.395 20 10 DGCDLO Oc1c(F)ccc(F)c1CN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001139684653 1095400019 /nfs/dbraw/zinc/40/00/19/1095400019.db2.gz ONIIQMQIVSSAEQ-ZDUSSCGKSA-N 1 2 310.388 3.121 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001144308241 1095601855 /nfs/dbraw/zinc/60/18/55/1095601855.db2.gz UHQJUAJINHDNTO-QPUJVOFHSA-N 1 2 300.171 3.278 20 10 DGCDLO Oc1cc(F)c(Br)cc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001144308241 1095601863 /nfs/dbraw/zinc/60/18/63/1095601863.db2.gz UHQJUAJINHDNTO-QPUJVOFHSA-N 1 2 300.171 3.278 20 10 DGCDLO CCN(Cc1[nH+]cn2ccccc12)Cc1ccc(N(C)C)cc1 ZINC001144627274 1095742392 /nfs/dbraw/zinc/74/23/92/1095742392.db2.gz LZRJLSCFRDQEPX-UHFFFAOYSA-N 1 2 308.429 3.422 20 10 DGCDLO CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC001117720976 1095815425 /nfs/dbraw/zinc/81/54/25/1095815425.db2.gz IIFPPHMNXYCZBK-ZIAGYGMSSA-N 1 2 300.805 3.147 20 10 DGCDLO COc1cc(C[NH2+][C@H](C)c2noc(C)n2)c(O)c(C(C)(C)C)c1 ZINC001118578755 1096039617 /nfs/dbraw/zinc/03/96/17/1096039617.db2.gz YHVGAVDKGLJARZ-SNVBAGLBSA-N 1 2 319.405 3.241 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCO[C@@](C)(C(F)F)C2)cc1 ZINC001118674092 1096052763 /nfs/dbraw/zinc/05/27/63/1096052763.db2.gz IMXSCMXRMBYBSG-VGOKWCNXSA-N 1 2 310.388 3.122 20 10 DGCDLO CN(C)c1ccc(/C=C\C[N@H+]2CCO[C@@](C)(C(F)F)C2)cc1 ZINC001118674092 1096052770 /nfs/dbraw/zinc/05/27/70/1096052770.db2.gz IMXSCMXRMBYBSG-VGOKWCNXSA-N 1 2 310.388 3.122 20 10 DGCDLO COc1cc(C[N@@H+]2Cc3ccc(Cl)cc3C2)c(O)cc1O ZINC001231639319 1097798311 /nfs/dbraw/zinc/79/83/11/1097798311.db2.gz PGEBXJMVVGRORG-UHFFFAOYSA-N 1 2 305.761 3.276 20 10 DGCDLO COc1cc(C[N@H+]2Cc3ccc(Cl)cc3C2)c(O)cc1O ZINC001231639319 1097798315 /nfs/dbraw/zinc/79/83/15/1097798315.db2.gz PGEBXJMVVGRORG-UHFFFAOYSA-N 1 2 305.761 3.276 20 10 DGCDLO Cc1cc(C)c(C[N@H+](C)CC(=O)OCc2ccccc2)c(O)c1 ZINC001231850715 1097865723 /nfs/dbraw/zinc/86/57/23/1097865723.db2.gz UIQXVOXCERDSHO-UHFFFAOYSA-N 1 2 313.397 3.184 20 10 DGCDLO Cc1cc(C)c(C[N@@H+](C)CC(=O)OCc2ccccc2)c(O)c1 ZINC001231850715 1097865727 /nfs/dbraw/zinc/86/57/27/1097865727.db2.gz UIQXVOXCERDSHO-UHFFFAOYSA-N 1 2 313.397 3.184 20 10 DGCDLO C[N@H+](Cc1ccccc1O)Cc1ncccc1Br ZINC001232165877 1097955432 /nfs/dbraw/zinc/95/54/32/1097955432.db2.gz PEENYDRBRNBLKQ-UHFFFAOYSA-N 1 2 307.191 3.182 20 10 DGCDLO C[N@@H+](Cc1ccccc1O)Cc1ncccc1Br ZINC001232165877 1097955437 /nfs/dbraw/zinc/95/54/37/1097955437.db2.gz PEENYDRBRNBLKQ-UHFFFAOYSA-N 1 2 307.191 3.182 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCn3cccc3[C@H]2C)cc1Cl ZINC001232267376 1097988099 /nfs/dbraw/zinc/98/80/99/1097988099.db2.gz AXMOPAJMEXGPKN-LLVKDONJSA-N 1 2 306.793 3.433 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCn3cccc3[C@H]2C)cc1Cl ZINC001232267376 1097988102 /nfs/dbraw/zinc/98/81/02/1097988102.db2.gz AXMOPAJMEXGPKN-LLVKDONJSA-N 1 2 306.793 3.433 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001233030093 1098206978 /nfs/dbraw/zinc/20/69/78/1098206978.db2.gz MXXQWEPCMDIDDB-ARENWVFISA-N 1 2 318.161 3.226 20 10 DGCDLO Oc1cc(Br)cc(F)c1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001233030093 1098206982 /nfs/dbraw/zinc/20/69/82/1098206982.db2.gz MXXQWEPCMDIDDB-ARENWVFISA-N 1 2 318.161 3.226 20 10 DGCDLO Oc1c(CN2CCCC[C@@H]2C[NH+]2CCCC2)ccc(F)c1F ZINC001233077339 1098219070 /nfs/dbraw/zinc/21/90/70/1098219070.db2.gz JVCMPRZLWRCBKU-CQSZACIVSA-N 1 2 310.388 3.121 20 10 DGCDLO Cc1cc(Br)cc(C[NH+]2CC(OC(C)C)C2)c1O ZINC001233110355 1098228224 /nfs/dbraw/zinc/22/82/24/1098228224.db2.gz BJYXRZHWJSJTNW-UHFFFAOYSA-N 1 2 314.223 3.072 20 10 DGCDLO CCOC(=O)c1c(C[NH+]2CC(C(F)F)C2)c2ccccc2n1C ZINC001233273472 1098272169 /nfs/dbraw/zinc/27/21/69/1098272169.db2.gz DROYKCXAUQKVTB-UHFFFAOYSA-N 1 2 322.355 3.052 20 10 DGCDLO CC(C)(C)c1ccc(O)c(C[NH+]2CC(N3CCCCC3)C2)c1 ZINC001233286587 1098276092 /nfs/dbraw/zinc/27/60/92/1098276092.db2.gz ZWMBNXODLSCYHZ-UHFFFAOYSA-N 1 2 302.462 3.360 20 10 DGCDLO Oc1c(C[N@@H+]2CCc3cnccc3C2)cccc1C(F)(F)F ZINC001233415663 1098323205 /nfs/dbraw/zinc/32/32/05/1098323205.db2.gz DTLQUEKYXMPJBC-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO Oc1c(C[N@H+]2CCc3cnccc3C2)cccc1C(F)(F)F ZINC001233415663 1098323212 /nfs/dbraw/zinc/32/32/12/1098323212.db2.gz DTLQUEKYXMPJBC-UHFFFAOYSA-N 1 2 308.303 3.364 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH+]1CC2CC(C2)C1 ZINC001235064437 1098781141 /nfs/dbraw/zinc/78/11/41/1098781141.db2.gz DDWNHOJSDDTEMH-UHFFFAOYSA-N 1 2 300.171 3.136 20 10 DGCDLO CC(C)(C)c1ccc(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)c(O)c1 ZINC001235678672 1099122620 /nfs/dbraw/zinc/12/26/20/1099122620.db2.gz KMTDXQXZAIOLDC-AWEZNQCLSA-N 1 2 317.351 3.453 20 10 DGCDLO CC(C)(C)c1ccc(C[N@H+]2CCO[C@H](C(F)(F)F)C2)c(O)c1 ZINC001235678672 1099122627 /nfs/dbraw/zinc/12/26/27/1099122627.db2.gz KMTDXQXZAIOLDC-AWEZNQCLSA-N 1 2 317.351 3.453 20 10 DGCDLO CCc1ccc(C[N@H+](C)CC(=O)OCc2ccccc2)c(O)c1 ZINC001236786313 1099783884 /nfs/dbraw/zinc/78/38/84/1099783884.db2.gz ANNVEQHJSPIGPH-UHFFFAOYSA-N 1 2 313.397 3.130 20 10 DGCDLO CCc1ccc(C[N@@H+](C)CC(=O)OCc2ccccc2)c(O)c1 ZINC001236786313 1099783891 /nfs/dbraw/zinc/78/38/91/1099783891.db2.gz ANNVEQHJSPIGPH-UHFFFAOYSA-N 1 2 313.397 3.130 20 10 DGCDLO CCC[N@H+](CC(=O)OCC)Cc1cc(Cl)c(Cl)cc1O ZINC001236799404 1099794662 /nfs/dbraw/zinc/79/46/62/1099794662.db2.gz OGIFBYVTLJWXCK-UHFFFAOYSA-N 1 2 320.216 3.474 20 10 DGCDLO CCC[N@@H+](CC(=O)OCC)Cc1cc(Cl)c(Cl)cc1O ZINC001236799404 1099794670 /nfs/dbraw/zinc/79/46/70/1099794670.db2.gz OGIFBYVTLJWXCK-UHFFFAOYSA-N 1 2 320.216 3.474 20 10 DGCDLO CCc1ccc(C[NH+]2CC(Oc3ccccc3F)C2)c(O)c1 ZINC001236791334 1099787354 /nfs/dbraw/zinc/78/73/54/1099787354.db2.gz GOEPTDTUYGWGCD-UHFFFAOYSA-N 1 2 301.361 3.357 20 10 DGCDLO CCc1ccc(C[N@@H+]2Cc3cccc(C(=O)OC)c3C2)c(O)c1 ZINC001236795475 1099789995 /nfs/dbraw/zinc/78/99/95/1099789995.db2.gz VJRIIMXEHMNVSV-UHFFFAOYSA-N 1 2 311.381 3.257 20 10 DGCDLO CCc1ccc(C[N@H+]2Cc3cccc(C(=O)OC)c3C2)c(O)c1 ZINC001236795475 1099790003 /nfs/dbraw/zinc/79/00/03/1099790003.db2.gz VJRIIMXEHMNVSV-UHFFFAOYSA-N 1 2 311.381 3.257 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC001236797721 1099791839 /nfs/dbraw/zinc/79/18/39/1099791839.db2.gz INNNKGCCZWUWFW-IUODEOHRSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC001236797721 1099791848 /nfs/dbraw/zinc/79/18/48/1099791848.db2.gz INNNKGCCZWUWFW-IUODEOHRSA-N 1 2 323.820 3.388 20 10 DGCDLO COc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c(O)c1Cl ZINC001236801384 1099797813 /nfs/dbraw/zinc/79/78/13/1099797813.db2.gz IICHUNVCTYOTGF-FZMZJTMJSA-N 1 2 311.809 3.055 20 10 DGCDLO COc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c(O)c1Cl ZINC001236801384 1099797820 /nfs/dbraw/zinc/79/78/20/1099797820.db2.gz IICHUNVCTYOTGF-FZMZJTMJSA-N 1 2 311.809 3.055 20 10 DGCDLO COc1ccc(C[NH+]2CC(c3cccnc3)C2)c(O)c1Cl ZINC001236805654 1099799605 /nfs/dbraw/zinc/79/96/05/1099799605.db2.gz DFXYYYFVYDHAQY-UHFFFAOYSA-N 1 2 304.777 3.049 20 10 DGCDLO COc1cc(O)c(C[N@@H+]2CCc3ncc(C)cc3C2)c(Cl)c1 ZINC001236806181 1099800215 /nfs/dbraw/zinc/80/02/15/1099800215.db2.gz PKHHNTIQZRYSDJ-UHFFFAOYSA-N 1 2 318.804 3.316 20 10 DGCDLO COc1cc(O)c(C[N@H+]2CCc3ncc(C)cc3C2)c(Cl)c1 ZINC001236806181 1099800233 /nfs/dbraw/zinc/80/02/33/1099800233.db2.gz PKHHNTIQZRYSDJ-UHFFFAOYSA-N 1 2 318.804 3.316 20 10 DGCDLO COc1ccc(C[NH+]2CCC3(CCCO3)CC2)c(O)c1Cl ZINC001236811052 1099800777 /nfs/dbraw/zinc/80/07/77/1099800777.db2.gz FOLVORAHXBIISF-UHFFFAOYSA-N 1 2 311.809 3.199 20 10 DGCDLO F[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236922391 1099879413 /nfs/dbraw/zinc/87/94/13/1099879413.db2.gz RHADTLHWIPWZEN-AWEZNQCLSA-N 1 2 312.816 3.111 20 10 DGCDLO F[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C1 ZINC001236922391 1099879423 /nfs/dbraw/zinc/87/94/23/1099879423.db2.gz RHADTLHWIPWZEN-AWEZNQCLSA-N 1 2 312.816 3.111 20 10 DGCDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001237079628 1099957445 /nfs/dbraw/zinc/95/74/45/1099957445.db2.gz MZBYMKUPOCFYIX-KCJUWKMLSA-N 1 2 324.154 3.165 20 10 DGCDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001237079628 1099957453 /nfs/dbraw/zinc/95/74/53/1099957453.db2.gz MZBYMKUPOCFYIX-KCJUWKMLSA-N 1 2 324.154 3.165 20 10 DGCDLO Oc1ccc(Cl)c(Cl)c1C[NH+]1CC2(C1)CCCOC2 ZINC001237078067 1099959547 /nfs/dbraw/zinc/95/95/47/1099959547.db2.gz NBUCRRRBWQDZBC-UHFFFAOYSA-N 1 2 302.201 3.311 20 10 DGCDLO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237115155 1099976917 /nfs/dbraw/zinc/97/69/17/1099976917.db2.gz FQYVQEFAALSWQV-ATZCPNFKSA-N 1 2 305.271 3.081 20 10 DGCDLO Oc1cccc(OC(F)(F)F)c1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237115155 1099976925 /nfs/dbraw/zinc/97/69/25/1099976925.db2.gz FQYVQEFAALSWQV-ATZCPNFKSA-N 1 2 305.271 3.081 20 10 DGCDLO Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCc2occc2C1 ZINC001237114091 1099978098 /nfs/dbraw/zinc/97/80/98/1099978098.db2.gz GYCKEDMZMUDZHH-UHFFFAOYSA-N 1 2 313.275 3.442 20 10 DGCDLO Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCc2occc2C1 ZINC001237114091 1099978111 /nfs/dbraw/zinc/97/81/11/1099978111.db2.gz GYCKEDMZMUDZHH-UHFFFAOYSA-N 1 2 313.275 3.442 20 10 DGCDLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2ccc(N)cc2)CC1 ZINC001237276336 1100057299 /nfs/dbraw/zinc/05/72/99/1100057299.db2.gz VIRGRHOIKVPUFT-HNNXBMFYSA-N 1 2 313.420 3.287 20 10 DGCDLO C[N@H+](Cc1ccccc1O)Cc1cnccc1Br ZINC001237392832 1100107262 /nfs/dbraw/zinc/10/72/62/1100107262.db2.gz LZXNXEYDAZFWET-UHFFFAOYSA-N 1 2 307.191 3.182 20 10 DGCDLO C[N@@H+](Cc1ccccc1O)Cc1cnccc1Br ZINC001237392832 1100107266 /nfs/dbraw/zinc/10/72/66/1100107266.db2.gz LZXNXEYDAZFWET-UHFFFAOYSA-N 1 2 307.191 3.182 20 10 DGCDLO CCN(CC[NH+]1CCCC1)Cc1cc(Cl)cc(F)c1O ZINC001237621190 1100192251 /nfs/dbraw/zinc/19/22/51/1100192251.db2.gz WJBQSGAUHUKWDL-UHFFFAOYSA-N 1 2 300.805 3.102 20 10 DGCDLO CCOC(=O)C[N@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237647053 1100201559 /nfs/dbraw/zinc/20/15/59/1100201559.db2.gz VIHZFRCSMSXMGS-UHFFFAOYSA-N 1 2 317.360 3.193 20 10 DGCDLO CCOC(=O)C[N@@H+](C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237647053 1100201563 /nfs/dbraw/zinc/20/15/63/1100201563.db2.gz VIHZFRCSMSXMGS-UHFFFAOYSA-N 1 2 317.360 3.193 20 10 DGCDLO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2ncccn2)c1O ZINC001237688271 1100215346 /nfs/dbraw/zinc/21/53/46/1100215346.db2.gz GTKRQZMMKCXTJE-AWEZNQCLSA-N 1 2 303.793 3.481 20 10 DGCDLO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2ncccn2)c1O ZINC001237688271 1100215349 /nfs/dbraw/zinc/21/53/49/1100215349.db2.gz GTKRQZMMKCXTJE-AWEZNQCLSA-N 1 2 303.793 3.481 20 10 DGCDLO CCCC[N@H+](C)Cc1cccc(I)c1O ZINC001237787222 1100246563 /nfs/dbraw/zinc/24/65/63/1100246563.db2.gz RCXNTIBZGOCWQL-UHFFFAOYSA-N 1 2 319.186 3.229 20 10 DGCDLO CCCC[N@@H+](C)Cc1cccc(I)c1O ZINC001237787222 1100246574 /nfs/dbraw/zinc/24/65/74/1100246574.db2.gz RCXNTIBZGOCWQL-UHFFFAOYSA-N 1 2 319.186 3.229 20 10 DGCDLO Oc1c(Cl)cc(F)cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC001237798433 1100251255 /nfs/dbraw/zinc/25/12/55/1100251255.db2.gz FIDVTLJRLWIPBO-CQSZACIVSA-N 1 2 312.816 3.245 20 10 DGCDLO OCc1ccc2c(c1)CC[N@@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237809005 1100252880 /nfs/dbraw/zinc/25/28/80/1100252880.db2.gz YBAXPJWSPMZCDJ-UHFFFAOYSA-N 1 2 321.779 3.235 20 10 DGCDLO OCc1ccc2c(c1)CC[N@H+](Cc1cc(F)cc(Cl)c1O)C2 ZINC001237809005 1100252894 /nfs/dbraw/zinc/25/28/94/1100252894.db2.gz YBAXPJWSPMZCDJ-UHFFFAOYSA-N 1 2 321.779 3.235 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001237806078 1100253388 /nfs/dbraw/zinc/25/33/88/1100253388.db2.gz QVWFDVKNEQXTLF-ZDUSSCGKSA-N 1 2 322.767 3.233 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001237806078 1100253390 /nfs/dbraw/zinc/25/33/90/1100253390.db2.gz QVWFDVKNEQXTLF-ZDUSSCGKSA-N 1 2 322.767 3.233 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001237806373 1100254259 /nfs/dbraw/zinc/25/42/59/1100254259.db2.gz VBIRCVAOAJCXQT-ZDUSSCGKSA-N 1 2 321.726 3.185 20 10 DGCDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001237806373 1100254268 /nfs/dbraw/zinc/25/42/68/1100254268.db2.gz VBIRCVAOAJCXQT-ZDUSSCGKSA-N 1 2 321.726 3.185 20 10 DGCDLO Cc1cnc2c(c1)C[N@@H+](Cc1cc(F)c(Cl)cc1O)CC2 ZINC001237939255 1100298244 /nfs/dbraw/zinc/29/82/44/1100298244.db2.gz AGXOSQBWVLUMAE-UHFFFAOYSA-N 1 2 306.768 3.446 20 10 DGCDLO Cc1cnc2c(c1)C[N@H+](Cc1cc(F)c(Cl)cc1O)CC2 ZINC001237939255 1100298247 /nfs/dbraw/zinc/29/82/47/1100298247.db2.gz AGXOSQBWVLUMAE-UHFFFAOYSA-N 1 2 306.768 3.446 20 10 DGCDLO C[N@H+](Cc1ccc(O)c(O)c1)Cc1ncccc1C(F)(F)F ZINC001203875546 1101547028 /nfs/dbraw/zinc/54/70/28/1101547028.db2.gz PNEWIEDDAOABIY-UHFFFAOYSA-N 1 2 312.291 3.144 20 10 DGCDLO C[N@@H+](Cc1ccc(O)c(O)c1)Cc1ncccc1C(F)(F)F ZINC001203875546 1101547032 /nfs/dbraw/zinc/54/70/32/1101547032.db2.gz PNEWIEDDAOABIY-UHFFFAOYSA-N 1 2 312.291 3.144 20 10 DGCDLO C[C@@H]1C[C@H](C[NH2+]Cc2cccc(Br)c2O)[C@@H](C)O1 ZINC000686514130 1103048561 /nfs/dbraw/zinc/04/85/61/1103048561.db2.gz XMLMVTDIUWWHNG-CKYFFXLPSA-N 1 2 314.223 3.058 20 10 DGCDLO CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC001320481829 1107018944 /nfs/dbraw/zinc/01/89/44/1107018944.db2.gz ZVCWOZYZIUTMPT-GFCCVEGCSA-N 1 2 315.772 3.102 20 10 DGCDLO CCOC(=O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC001320481829 1107018958 /nfs/dbraw/zinc/01/89/58/1107018958.db2.gz ZVCWOZYZIUTMPT-GFCCVEGCSA-N 1 2 315.772 3.102 20 10 DGCDLO CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001320640538 1107084548 /nfs/dbraw/zinc/08/45/48/1107084548.db2.gz SJSVFOCVXOSFKO-ZIAGYGMSSA-N 1 2 300.805 3.147 20 10 DGCDLO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC001325357010 1108630695 /nfs/dbraw/zinc/63/06/95/1108630695.db2.gz NGSWMWPVZHEFOO-ZJUUUORDSA-N 1 2 315.360 3.441 20 10 DGCDLO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cccc(Br)c1O ZINC001308741896 1111468576 /nfs/dbraw/zinc/46/85/76/1111468576.db2.gz KOHQXWQGHDJOGY-WDEREUQCSA-N 1 2 314.223 3.059 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC001308791757 1111475522 /nfs/dbraw/zinc/47/55/22/1111475522.db2.gz HDONVROJVITEHY-CVEARBPZSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1cc(F)c(F)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC001308791757 1111475525 /nfs/dbraw/zinc/47/55/25/1111475525.db2.gz HDONVROJVITEHY-CVEARBPZSA-N 1 2 309.356 3.204 20 10 DGCDLO CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2cccc(Cl)c2O)C1 ZINC000287771616 535309583 /nfs/dbraw/zinc/30/95/83/535309583.db2.gz RNLWAGYBGULVSC-BXUZGUMPSA-N 1 2 310.825 3.097 20 10 DGCDLO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(F)c(F)c1O ZINC000276972992 299320660 /nfs/dbraw/zinc/32/06/60/299320660.db2.gz ULSZQIZZWAPDOX-QWRGUYRKSA-N 1 2 313.344 3.007 20 10 DGCDLO C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(Cl)c(Cl)c1O ZINC000287423184 296116925 /nfs/dbraw/zinc/11/69/25/296116925.db2.gz SKLPDLMGCNQLGQ-SECBINFHSA-N 1 2 322.232 3.137 20 10 DGCDLO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000093482715 193258422 /nfs/dbraw/zinc/25/84/22/193258422.db2.gz SLONEWKVEHVKPV-CABZTGNLSA-N 1 2 304.217 3.434 20 10 DGCDLO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000093482715 193258423 /nfs/dbraw/zinc/25/84/23/193258423.db2.gz SLONEWKVEHVKPV-CABZTGNLSA-N 1 2 304.217 3.434 20 10 DGCDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000190138301 432126506 /nfs/dbraw/zinc/12/65/06/432126506.db2.gz JJSQGHNVNFJRPL-QGZVFWFLSA-N 1 2 323.314 3.383 20 10 DGCDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000190138301 432126510 /nfs/dbraw/zinc/12/65/10/432126510.db2.gz JJSQGHNVNFJRPL-QGZVFWFLSA-N 1 2 323.314 3.383 20 10 DGCDLO CC[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cccc(Cl)c1O ZINC000286866567 131252768 /nfs/dbraw/zinc/25/27/68/131252768.db2.gz BLZWRRRPOOJURA-KGLIPLIRSA-N 1 2 322.836 3.288 20 10 DGCDLO CC[C@H](C)NC(=O)CC[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000287687587 131294363 /nfs/dbraw/zinc/29/43/63/131294363.db2.gz MYPZPNFQZKPCAP-FZMZJTMJSA-N 1 2 312.841 3.391 20 10 DGCDLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c(C)n1-c1ccccc1 ZINC000042535689 400433596 /nfs/dbraw/zinc/43/35/96/400433596.db2.gz PQHBABZXIWDDPM-CQSZACIVSA-N 1 2 322.412 3.109 20 10 DGCDLO CCc1nsc(NC2CC[NH+](c3ccc(OC)cc3)CC2)n1 ZINC000080787291 400992172 /nfs/dbraw/zinc/99/21/72/400992172.db2.gz ZZLDLOSGFLHDPC-UHFFFAOYSA-N 1 2 318.446 3.190 20 10 DGCDLO Cc1c2ccccc2n(C)c1CNc1nc(N)c2ccccc2[nH+]1 ZINC000530429210 430114186 /nfs/dbraw/zinc/11/41/86/430114186.db2.gz LAVAEUIVMGLJDA-UHFFFAOYSA-N 1 2 317.396 3.046 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1O ZINC000285307518 277105950 /nfs/dbraw/zinc/10/59/50/277105950.db2.gz HWHTVDDHVGXVSP-INIZCTEOSA-N 1 2 317.364 3.184 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1O ZINC000285307518 277105951 /nfs/dbraw/zinc/10/59/51/277105951.db2.gz HWHTVDDHVGXVSP-INIZCTEOSA-N 1 2 317.364 3.184 20 10 DGCDLO CC[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cccc(Cl)c1O ZINC000287826472 288038488 /nfs/dbraw/zinc/03/84/88/288038488.db2.gz VLZMVLULPCGKFT-HNNXBMFYSA-N 1 2 324.852 3.489 20 10 DGCDLO CC[C@H]([NH2+]CCNC(=O)c1ccco1)c1cccc(Cl)c1O ZINC000287604924 288041517 /nfs/dbraw/zinc/04/15/17/288041517.db2.gz ITTWWSOIRODCBM-ZDUSSCGKSA-N 1 2 322.792 3.109 20 10 DGCDLO CC[C@H]([NH2+][C@H](C)CC[S@@](C)=O)c1cccc(Cl)c1O ZINC000287667132 288076966 /nfs/dbraw/zinc/07/69/66/288076966.db2.gz LZPSPIFARNIJHB-KPGGICDASA-N 1 2 303.855 3.243 20 10 DGCDLO COc1ccc(N2CC[NH+](Cc3cccc(Cl)n3)CC2)cc1 ZINC000075594747 431490414 /nfs/dbraw/zinc/49/04/14/431490414.db2.gz WUMXXJGLEWILSU-UHFFFAOYSA-N 1 2 317.820 3.066 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1O ZINC000043426175 431868634 /nfs/dbraw/zinc/86/86/34/431868634.db2.gz KPVKPOHRXDEQQL-LSDHHAIUSA-N 1 2 309.793 3.002 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1O ZINC000043426175 431868636 /nfs/dbraw/zinc/86/86/36/431868636.db2.gz KPVKPOHRXDEQQL-LSDHHAIUSA-N 1 2 309.793 3.002 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccccn2)c1O ZINC000050134243 431946681 /nfs/dbraw/zinc/94/66/81/431946681.db2.gz AZYQUFWVKRAMNZ-UHFFFAOYSA-N 1 2 304.777 3.275 20 10 DGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccccn2)c1O ZINC000050134243 431946683 /nfs/dbraw/zinc/94/66/83/431946683.db2.gz AZYQUFWVKRAMNZ-UHFFFAOYSA-N 1 2 304.777 3.275 20 10 DGCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000271195534 432350660 /nfs/dbraw/zinc/35/06/60/432350660.db2.gz NIRJHIIQGXVDPY-VVBPWWLESA-N 1 2 320.502 3.018 20 10 DGCDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000271195534 432350662 /nfs/dbraw/zinc/35/06/62/432350662.db2.gz NIRJHIIQGXVDPY-VVBPWWLESA-N 1 2 320.502 3.018 20 10 DGCDLO OC[C@@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1ccc(F)cc1 ZINC000271945343 432429450 /nfs/dbraw/zinc/42/94/50/432429450.db2.gz XHPINCZXNMSZOP-CYBMUJFWSA-N 1 2 323.795 3.126 20 10 DGCDLO COc1cc(Cl)cc(C[N@@H+]2CCn3cccc3[C@@H]2C)c1O ZINC000184672850 432419120 /nfs/dbraw/zinc/41/91/20/432419120.db2.gz BZVGJHVQUHMKPX-NSHDSACASA-N 1 2 306.793 3.433 20 10 DGCDLO COc1cc(Cl)cc(C[N@H+]2CCn3cccc3[C@@H]2C)c1O ZINC000184672850 432419121 /nfs/dbraw/zinc/41/91/21/432419121.db2.gz BZVGJHVQUHMKPX-NSHDSACASA-N 1 2 306.793 3.433 20 10 DGCDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](O)c1cccc(F)c1 ZINC000271858905 432426284 /nfs/dbraw/zinc/42/62/84/432426284.db2.gz VLGQGKGTAPWURF-BMIGLBTASA-N 1 2 309.768 3.396 20 10 DGCDLO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186541258 432605512 /nfs/dbraw/zinc/60/55/12/432605512.db2.gz VYZVAWLCCSCRKI-PUERIAAYSA-N 1 2 310.246 3.117 20 10 DGCDLO CCn1cnnc1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000273435797 432599554 /nfs/dbraw/zinc/59/95/54/432599554.db2.gz WZGBFDDPXDOTDW-QMMMGPOBSA-N 1 2 315.204 3.161 20 10 DGCDLO Cc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000186662016 432619536 /nfs/dbraw/zinc/61/95/36/432619536.db2.gz QQZYXUZHHAITLS-CYBMUJFWSA-N 1 2 306.456 3.447 20 10 DGCDLO Cc1ccc(O)c(C[N@H+]2CCSC[C@@H]2c2nccs2)c1 ZINC000186662016 432619540 /nfs/dbraw/zinc/61/95/40/432619540.db2.gz QQZYXUZHHAITLS-CYBMUJFWSA-N 1 2 306.456 3.447 20 10 DGCDLO O=C(C1CC[NH+](Cc2cccc(Cl)c2O)CC1)C(F)(F)F ZINC000187654561 432675306 /nfs/dbraw/zinc/67/53/06/432675306.db2.gz RGMWIYRHVNWTDJ-UHFFFAOYSA-N 1 2 321.726 3.389 20 10 DGCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000290214344 433013266 /nfs/dbraw/zinc/01/32/66/433013266.db2.gz QEKMQCDAIICULP-CHWSQXEVSA-N 1 2 318.421 3.084 20 10 DGCDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cccc(O)c1O ZINC000373703870 433159311 /nfs/dbraw/zinc/15/93/11/433159311.db2.gz YHFFSTFURXLADL-UHFFFAOYSA-N 1 2 309.325 3.049 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)CCCO1 ZINC000281226238 433275030 /nfs/dbraw/zinc/27/50/30/433275030.db2.gz BZBGRRKNLVABNR-CQSZACIVSA-N 1 2 311.809 3.249 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCc1nccs1 ZINC000293657202 433819668 /nfs/dbraw/zinc/81/96/68/433819668.db2.gz PFZGRGDFJLPHIQ-UHFFFAOYSA-N 1 2 300.786 3.364 20 10 DGCDLO CC[C@H]([NH2+]CCc1nccnc1C)c1cccc(Cl)c1O ZINC000294980962 434157564 /nfs/dbraw/zinc/15/75/64/434157564.db2.gz KPGIBTRVWNFVJJ-AWEZNQCLSA-N 1 2 305.809 3.427 20 10 DGCDLO CO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000273363681 294459660 /nfs/dbraw/zinc/45/96/60/294459660.db2.gz DKNZAFLFKAKLSH-SJKOYZFVSA-N 1 2 316.357 3.339 20 10 DGCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000378493736 434201030 /nfs/dbraw/zinc/20/10/30/434201030.db2.gz KCDCFJGGFIEWAD-MRXNPFEDSA-N 1 2 323.314 3.383 20 10 DGCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000378493736 434201038 /nfs/dbraw/zinc/20/10/38/434201038.db2.gz KCDCFJGGFIEWAD-MRXNPFEDSA-N 1 2 323.314 3.383 20 10 DGCDLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc(Br)cc1 ZINC000492853218 435061825 /nfs/dbraw/zinc/06/18/25/435061825.db2.gz BDYQYXYLCMLGPT-VMPITWQZSA-N 1 2 320.190 3.239 20 10 DGCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCc2cc(OC(F)F)ccc21 ZINC000492860588 339910928 /nfs/dbraw/zinc/91/09/28/339910928.db2.gz IHHLZLQWXIGNBY-ZZXKWVIFSA-N 1 2 319.311 3.004 20 10 DGCDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000180059333 534454429 /nfs/dbraw/zinc/45/44/29/534454429.db2.gz PZVXIEYYVUKJBL-QGZVFWFLSA-N 1 2 323.314 3.383 20 10 DGCDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000180059333 534454436 /nfs/dbraw/zinc/45/44/36/534454436.db2.gz PZVXIEYYVUKJBL-QGZVFWFLSA-N 1 2 323.314 3.383 20 10 DGCDLO C[C@@H](c1nnnn1C1CCCCC1)[N@H+](C)Cc1ccccc1O ZINC000189663366 526191073 /nfs/dbraw/zinc/19/10/73/526191073.db2.gz WPDVHYCOZLZVMB-ZDUSSCGKSA-N 1 2 315.421 3.077 20 10 DGCDLO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+](C)Cc1ccccc1O ZINC000189663366 526191081 /nfs/dbraw/zinc/19/10/81/526191081.db2.gz WPDVHYCOZLZVMB-ZDUSSCGKSA-N 1 2 315.421 3.077 20 10 DGCDLO C[C@H](c1nnnn1C1CCCCC1)[N@H+](C)Cc1ccccc1O ZINC000189663385 526193667 /nfs/dbraw/zinc/19/36/67/526193667.db2.gz WPDVHYCOZLZVMB-CYBMUJFWSA-N 1 2 315.421 3.077 20 10 DGCDLO C[C@H](c1nnnn1C1CCCCC1)[N@@H+](C)Cc1ccccc1O ZINC000189663385 526193674 /nfs/dbraw/zinc/19/36/74/526193674.db2.gz WPDVHYCOZLZVMB-CYBMUJFWSA-N 1 2 315.421 3.077 20 10 DGCDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(N3CCCCC3)cc2)no1 ZINC000264256210 546342374 /nfs/dbraw/zinc/34/23/74/546342374.db2.gz CLUNSOBSKNYYPR-UHFFFAOYSA-N 1 2 314.433 3.393 20 10 DGCDLO Cc1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)c(C)n1-c1cccc(C)c1 ZINC000731880834 574561140 /nfs/dbraw/zinc/56/11/40/574561140.db2.gz ZESBXDKQAPODHM-UHFFFAOYSA-N 1 2 322.412 3.398 20 10 DGCDLO CCn1cc[nH+]c1CN(Cc1ccco1)Cc1ccccc1O ZINC000732202526 574567622 /nfs/dbraw/zinc/56/76/22/574567622.db2.gz VBBNCJCLNLDHHS-UHFFFAOYSA-N 1 2 311.385 3.404 20 10 DGCDLO Cc1cnc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cn1 ZINC000732202477 574567841 /nfs/dbraw/zinc/56/78/41/574567841.db2.gz RTMUWNJWMQNEBC-UHFFFAOYSA-N 1 2 309.369 3.286 20 10 DGCDLO Cc1cnc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cn1 ZINC000732202477 574567842 /nfs/dbraw/zinc/56/78/42/574567842.db2.gz RTMUWNJWMQNEBC-UHFFFAOYSA-N 1 2 309.369 3.286 20 10 DGCDLO CCCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741774397 574969502 /nfs/dbraw/zinc/96/95/02/574969502.db2.gz BGGMHAUFKKXMMN-INIZCTEOSA-N 1 2 318.461 3.450 20 10 DGCDLO CCCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741774397 574969505 /nfs/dbraw/zinc/96/95/05/574969505.db2.gz BGGMHAUFKKXMMN-INIZCTEOSA-N 1 2 318.461 3.450 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1[nH]c[nH+]c1C ZINC000747170228 575502851 /nfs/dbraw/zinc/50/28/51/575502851.db2.gz CGBOHIXABKXMBI-UHFFFAOYSA-N 1 2 322.412 3.364 20 10 DGCDLO CCN(Cc1[nH+]ccn1CC(F)(F)F)c1ccc(OC)cc1 ZINC000728570080 576188198 /nfs/dbraw/zinc/18/81/98/576188198.db2.gz VWAGLSUAQULEIC-UHFFFAOYSA-N 1 2 313.323 3.481 20 10 DGCDLO Cc1cc(C[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)ccc1N(C)C ZINC000852741072 620644393 /nfs/dbraw/zinc/64/43/93/620644393.db2.gz VSYVZKZVOQKPOW-AWEZNQCLSA-N 1 2 316.367 3.214 20 10 DGCDLO Cc1cc(C[N@H+]2CCO[C@@H](CC(F)(F)F)C2)ccc1N(C)C ZINC000852741072 620644394 /nfs/dbraw/zinc/64/43/94/620644394.db2.gz VSYVZKZVOQKPOW-AWEZNQCLSA-N 1 2 316.367 3.214 20 10 DGCDLO Cc1cc(Br)cc(C[NH+]2CC(C(F)(F)F)C2)c1O ZINC000894892187 618489668 /nfs/dbraw/zinc/48/96/68/618489668.db2.gz YVWOWRTZPOEIAQ-UHFFFAOYSA-N 1 2 324.140 3.457 20 10 DGCDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000775985868 618520111 /nfs/dbraw/zinc/52/01/11/618520111.db2.gz PJMCRFVZSWVEIK-VHSXEESVSA-N 1 2 303.233 3.223 20 10 DGCDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000775985868 618520115 /nfs/dbraw/zinc/52/01/15/618520115.db2.gz PJMCRFVZSWVEIK-VHSXEESVSA-N 1 2 303.233 3.223 20 10 DGCDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)CC(C)(C)O ZINC000894026191 618696376 /nfs/dbraw/zinc/69/63/76/618696376.db2.gz JOJIMADLBWFEIN-UHFFFAOYSA-N 1 2 322.630 3.011 20 10 DGCDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)CC(C)(C)O ZINC000894026191 618696379 /nfs/dbraw/zinc/69/63/79/618696379.db2.gz JOJIMADLBWFEIN-UHFFFAOYSA-N 1 2 322.630 3.011 20 10 DGCDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000894093005 618708256 /nfs/dbraw/zinc/70/82/56/618708256.db2.gz ATFNBTKLWKIZGL-OAHLLOKOSA-N 1 2 307.344 3.049 20 10 DGCDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000894093005 618708258 /nfs/dbraw/zinc/70/82/58/618708258.db2.gz ATFNBTKLWKIZGL-OAHLLOKOSA-N 1 2 307.344 3.049 20 10 DGCDLO Cn1ccc(C2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)n1 ZINC000896494988 618920195 /nfs/dbraw/zinc/92/01/95/618920195.db2.gz GDJDCAHYYKMVLG-UHFFFAOYSA-N 1 2 323.799 3.298 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000897083341 619012375 /nfs/dbraw/zinc/01/23/75/619012375.db2.gz XVYSDTXSIOIHAR-XHDPSFHLSA-N 1 2 313.800 3.480 20 10 DGCDLO Cn1nc(C[NH2+]Cc2c(O)cccc2Cl)cc1C(F)(F)F ZINC000898021968 619206840 /nfs/dbraw/zinc/20/68/40/619206840.db2.gz XJGQVLSICJQEBH-UHFFFAOYSA-N 1 2 319.714 3.088 20 10 DGCDLO Cc1cc(O)c(C[NH2+]Cc2cc(N(C)C)ccn2)c(Cl)c1 ZINC000922479288 621043667 /nfs/dbraw/zinc/04/36/67/621043667.db2.gz MEBSHGGNZUTGQC-UHFFFAOYSA-N 1 2 305.809 3.105 20 10 DGCDLO CCCc1ncc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)o1 ZINC000858173912 621161624 /nfs/dbraw/zinc/16/16/24/621161624.db2.gz JEJTZQNHWWGKHU-UHFFFAOYSA-N 1 2 309.360 3.261 20 10 DGCDLO CC[C@H]([NH2+]CCN(C)CC(F)F)c1cccc(Cl)c1O ZINC000858596326 621208256 /nfs/dbraw/zinc/20/82/56/621208256.db2.gz FCLRDIFMHHEUKC-LBPRGKRZSA-N 1 2 306.784 3.283 20 10 DGCDLO Cc1cc(C)c(O)c(C[N@H+](C)Cc2cnn(-c3ccccc3)n2)c1 ZINC000754725999 621528527 /nfs/dbraw/zinc/52/85/27/621528527.db2.gz KIUWAVJKPNMGBP-UHFFFAOYSA-N 1 2 322.412 3.222 20 10 DGCDLO Cc1cc(C)c(O)c(C[N@@H+](C)Cc2cnn(-c3ccccc3)n2)c1 ZINC000754725999 621528529 /nfs/dbraw/zinc/52/85/29/621528529.db2.gz KIUWAVJKPNMGBP-UHFFFAOYSA-N 1 2 322.412 3.222 20 10 DGCDLO C[C@@H]([NH2+][C@@H]1CCOC1)c1cc(Br)cc(Cl)c1O ZINC000756770563 621663556 /nfs/dbraw/zinc/66/35/56/621663556.db2.gz WBYOGRWHQFVEQA-VXNVDRBHSA-N 1 2 320.614 3.248 20 10 DGCDLO COC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1O ZINC000756343408 621629542 /nfs/dbraw/zinc/62/95/42/621629542.db2.gz YTFOSITWSBKGNJ-SFYZADRCSA-N 1 2 322.630 3.494 20 10 DGCDLO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1cc(F)cc(F)c1O ZINC000756399714 621635436 /nfs/dbraw/zinc/63/54/36/621635436.db2.gz FTPAFBCNYSOAHY-MRVPVSSYSA-N 1 2 313.266 3.290 20 10 DGCDLO COCC[C@@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756528747 621645495 /nfs/dbraw/zinc/64/54/95/621645495.db2.gz WOVKGYLXFVFGGF-RKDXNWHRSA-N 1 2 320.202 3.369 20 10 DGCDLO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756677182 621658461 /nfs/dbraw/zinc/65/84/61/621658461.db2.gz PZVGMFOMHLEBCX-RULNRJAQSA-N 1 2 311.328 3.426 20 10 DGCDLO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000757920898 621746813 /nfs/dbraw/zinc/74/68/13/621746813.db2.gz STALFBAFYHVQFB-AWEZNQCLSA-N 1 2 303.761 3.006 20 10 DGCDLO CCOC1CC(CC[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000789583567 625529907 /nfs/dbraw/zinc/52/99/07/625529907.db2.gz ACSXGMHSDPCTAM-UHFFFAOYSA-N 1 2 301.789 3.480 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000775657869 623306530 /nfs/dbraw/zinc/30/65/30/623306530.db2.gz ALUYZZYFQCTEMQ-SNVBAGLBSA-N 1 2 309.772 3.287 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000775657869 623306535 /nfs/dbraw/zinc/30/65/35/623306535.db2.gz ALUYZZYFQCTEMQ-SNVBAGLBSA-N 1 2 309.772 3.287 20 10 DGCDLO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775660773 623306994 /nfs/dbraw/zinc/30/69/94/623306994.db2.gz YFGBQVVSNWOPMA-LLVKDONJSA-N 1 2 323.799 3.298 20 10 DGCDLO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775660773 623307000 /nfs/dbraw/zinc/30/70/00/623307000.db2.gz YFGBQVVSNWOPMA-LLVKDONJSA-N 1 2 323.799 3.298 20 10 DGCDLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)o1)c1ccc(N(C)C)cc1 ZINC000775836087 623339375 /nfs/dbraw/zinc/33/93/75/623339375.db2.gz YTZVSVNVADKGOC-LBPRGKRZSA-N 1 2 302.422 3.284 20 10 DGCDLO COc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1O ZINC000776151659 623382787 /nfs/dbraw/zinc/38/27/87/623382787.db2.gz RXCZTZVECPYELX-UHFFFAOYSA-N 1 2 311.740 3.189 20 10 DGCDLO C[C@](CO)([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000776175188 623390493 /nfs/dbraw/zinc/39/04/93/623390493.db2.gz JDTFHZBEBSZPRW-MRXNPFEDSA-N 1 2 309.768 3.182 20 10 DGCDLO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1O ZINC000776232433 623400339 /nfs/dbraw/zinc/40/03/39/623400339.db2.gz XNQNYZMUEUNFLA-OAHLLOKOSA-N 1 2 305.805 3.393 20 10 DGCDLO Oc1ccc(F)cc1C[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000779011046 623720467 /nfs/dbraw/zinc/72/04/67/623720467.db2.gz YUGYIONWUGIBOY-UHFFFAOYSA-N 1 2 311.360 3.457 20 10 DGCDLO Oc1ccc(F)cc1C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000779011046 623720471 /nfs/dbraw/zinc/72/04/71/623720471.db2.gz YUGYIONWUGIBOY-UHFFFAOYSA-N 1 2 311.360 3.457 20 10 DGCDLO CCCOc1ncccc1C[NH2+]Cc1ccc(F)c(F)c1O ZINC000876986795 623759880 /nfs/dbraw/zinc/75/98/80/623759880.db2.gz LBDBBQIXKBDOBP-UHFFFAOYSA-N 1 2 308.328 3.144 20 10 DGCDLO Oc1c(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc(F)c1F ZINC000877541524 623934307 /nfs/dbraw/zinc/93/43/07/623934307.db2.gz PKAGPYXRTBZAFF-XJKSGUPXSA-N 1 2 309.356 3.204 20 10 DGCDLO Oc1c(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc(F)c1F ZINC000877541524 623934310 /nfs/dbraw/zinc/93/43/10/623934310.db2.gz PKAGPYXRTBZAFF-XJKSGUPXSA-N 1 2 309.356 3.204 20 10 DGCDLO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)c1ncn(C)n1 ZINC000780562660 623952468 /nfs/dbraw/zinc/95/24/68/623952468.db2.gz HUMODIUIBSHCHA-CYBMUJFWSA-N 1 2 308.385 3.039 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000877729957 624006660 /nfs/dbraw/zinc/00/66/60/624006660.db2.gz HJYWMASBWACHCF-AAEUAGOBSA-N 1 2 313.800 3.337 20 10 DGCDLO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C(=O)OC(C)(C)C)C2CC2)c1 ZINC000878360766 624256052 /nfs/dbraw/zinc/25/60/52/624256052.db2.gz RJPPGARLVXSVKC-BDJLRTHQSA-N 1 2 321.417 3.172 20 10 DGCDLO Cc1ccc(C)n1-c1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000787584927 625021867 /nfs/dbraw/zinc/02/18/67/625021867.db2.gz MCCSURQSDADWCR-UHFFFAOYSA-N 1 2 321.380 3.428 20 10 DGCDLO COc1ccc(C[N@H+](C)Cc2c(O)ccc(Cl)c2F)cn1 ZINC000792175721 625920396 /nfs/dbraw/zinc/92/03/96/625920396.db2.gz ZSAFPJYNGRXSNF-UHFFFAOYSA-N 1 2 310.756 3.220 20 10 DGCDLO COc1ccc(C[N@@H+](C)Cc2c(O)ccc(Cl)c2F)cn1 ZINC000792175721 625920401 /nfs/dbraw/zinc/92/04/01/625920401.db2.gz ZSAFPJYNGRXSNF-UHFFFAOYSA-N 1 2 310.756 3.220 20 10 DGCDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000883177745 625956315 /nfs/dbraw/zinc/95/63/15/625956315.db2.gz HTGQWDFZCKOTAZ-IAZYJMLFSA-N 1 2 300.171 3.182 20 10 DGCDLO Cc1ccncc1N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000798961928 626263258 /nfs/dbraw/zinc/26/32/58/626263258.db2.gz ILHHMDABUNSBAO-UHFFFAOYSA-N 1 2 317.820 3.071 20 10 DGCDLO CC[C@H]([NH2+]CC(=O)NC1CCCC1)c1cccc(Cl)c1O ZINC000806146849 626702478 /nfs/dbraw/zinc/70/24/78/626702478.db2.gz RFDWNDWSCZFLJD-AWEZNQCLSA-N 1 2 310.825 3.145 20 10 DGCDLO CCNC(=O)C(C)(C)C[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000806156018 626702922 /nfs/dbraw/zinc/70/29/22/626702922.db2.gz XXHHQSSSOVLZLB-ZDUSSCGKSA-N 1 2 312.841 3.249 20 10 DGCDLO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cc(F)cc(F)c1O ZINC000808721088 626853776 /nfs/dbraw/zinc/85/37/76/626853776.db2.gz HORBHWMZJKWCLH-XMZIXOGTSA-N 1 2 307.340 3.443 20 10 DGCDLO C[C@H](CO)[N@@H+](Cc1cc(Cl)cc(F)c1O)CC1CCC1 ZINC000809665517 626934577 /nfs/dbraw/zinc/93/45/77/626934577.db2.gz VGOADMBQXFPUON-SNVBAGLBSA-N 1 2 301.789 3.168 20 10 DGCDLO C[C@H](CO)[N@H+](Cc1cc(Cl)cc(F)c1O)CC1CCC1 ZINC000809665517 626934578 /nfs/dbraw/zinc/93/45/78/626934578.db2.gz VGOADMBQXFPUON-SNVBAGLBSA-N 1 2 301.789 3.168 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000809791965 626954574 /nfs/dbraw/zinc/95/45/74/626954574.db2.gz CWJXDLMMLBOAGL-ZDUSSCGKSA-N 1 2 307.752 3.278 20 10 DGCDLO CC[C@@H]([NH2+][C@@H](CCOC)COC)c1cccc(Cl)c1O ZINC000810258003 626993838 /nfs/dbraw/zinc/99/38/38/626993838.db2.gz XUZVCHHPLSZKOC-SMDDNHRTSA-N 1 2 301.814 3.138 20 10 DGCDLO CC[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(F)c1O)OC ZINC000810260049 626994615 /nfs/dbraw/zinc/99/46/15/626994615.db2.gz CKHMHTCIEKPIBF-SCZZXKLOSA-N 1 2 320.202 3.369 20 10 DGCDLO CC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CCCC1 ZINC000816534492 627803179 /nfs/dbraw/zinc/80/31/79/627803179.db2.gz KOMCLJWQXABZTC-LBPRGKRZSA-N 1 2 300.805 3.149 20 10 DGCDLO CC(C)[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CCCC1 ZINC000816534265 627803464 /nfs/dbraw/zinc/80/34/64/627803464.db2.gz CPNCOPDBCJUQLG-HNNXBMFYSA-N 1 2 314.832 3.395 20 10 DGCDLO C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CCC(C)CC1 ZINC000816543906 627804800 /nfs/dbraw/zinc/80/48/00/627804800.db2.gz RHZMTWMMPXDTLH-LBPRGKRZSA-N 1 2 314.832 3.395 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000816566343 627809206 /nfs/dbraw/zinc/80/92/06/627809206.db2.gz RTOUVSNTLRCJPW-SECBINFHSA-N 1 2 309.715 3.388 20 10 DGCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000816566343 627809211 /nfs/dbraw/zinc/80/92/11/627809211.db2.gz RTOUVSNTLRCJPW-SECBINFHSA-N 1 2 309.715 3.388 20 10 DGCDLO C[C@H]([NH2+][C@H]1CC12CC2)c1cc(Br)cc(F)c1O ZINC000818355894 628017641 /nfs/dbraw/zinc/01/76/41/628017641.db2.gz KYMRFEMVHOXJFZ-CPCISQLKSA-N 1 2 300.171 3.497 20 10 DGCDLO CO[C@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1ccccc1 ZINC000824590193 628674460 /nfs/dbraw/zinc/67/44/60/628674460.db2.gz LXVOYTPXQPJRBO-HNNXBMFYSA-N 1 2 305.805 3.393 20 10 DGCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000824955789 628710625 /nfs/dbraw/zinc/71/06/25/628710625.db2.gz ZFQMYHTZHNFHJH-HOCLYGCPSA-N 1 2 318.804 3.451 20 10 DGCDLO CC(C)(CN1CCCC1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000825326951 628749954 /nfs/dbraw/zinc/74/99/54/628749954.db2.gz PZCMXSWOEOYOMA-UHFFFAOYSA-N 1 2 300.805 3.149 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)[C@@H](C)[C@H](C)O1 ZINC000825634627 628779888 /nfs/dbraw/zinc/77/98/88/628779888.db2.gz PAXHMMUAVVHZFN-VWYCJHECSA-N 1 2 314.223 3.152 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)[C@@H](C)[C@H](C)O1 ZINC000825634627 628779890 /nfs/dbraw/zinc/77/98/90/628779890.db2.gz PAXHMMUAVVHZFN-VWYCJHECSA-N 1 2 314.223 3.152 20 10 DGCDLO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cccc(Cl)c2O)cc1C ZINC000835072179 629843565 /nfs/dbraw/zinc/84/35/65/629843565.db2.gz CGLPNTUOXIPPRI-INIZCTEOSA-N 1 2 319.832 3.356 20 10 DGCDLO COc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)c(O)c1 ZINC000836630950 630143886 /nfs/dbraw/zinc/14/38/86/630143886.db2.gz CHKKJTUENBTZJA-UHFFFAOYSA-N 1 2 315.373 3.043 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000840915103 630377354 /nfs/dbraw/zinc/37/73/54/630377354.db2.gz KBPWHXDLNKRJMM-QGZVFWFLSA-N 1 2 300.402 3.228 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000840915103 630377355 /nfs/dbraw/zinc/37/73/55/630377355.db2.gz KBPWHXDLNKRJMM-QGZVFWFLSA-N 1 2 300.402 3.228 20 10 DGCDLO COc1cccc(C[N@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)c1O ZINC000840957008 630385043 /nfs/dbraw/zinc/38/50/43/630385043.db2.gz GUCWQLJQJQWDIN-GFCCVEGCSA-N 1 2 321.417 3.095 20 10 DGCDLO COc1cccc(C[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C2CC2)c1O ZINC000840957008 630385049 /nfs/dbraw/zinc/38/50/49/630385049.db2.gz GUCWQLJQJQWDIN-GFCCVEGCSA-N 1 2 321.417 3.095 20 10 DGCDLO Oc1ccc(Cl)c(F)c1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841085716 630406299 /nfs/dbraw/zinc/40/62/99/630406299.db2.gz BJIFPAYFKQCFMY-SMDDNHRTSA-N 1 2 312.816 3.149 20 10 DGCDLO CN(CC[NH+]1CCCCC1)Cc1cc(Cl)cc(F)c1O ZINC000846113862 631210331 /nfs/dbraw/zinc/21/03/31/631210331.db2.gz BHMASICEIVMIQM-UHFFFAOYSA-N 1 2 300.805 3.102 20 10 DGCDLO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)c2nccc(N)n2)cc1 ZINC000846766625 631299459 /nfs/dbraw/zinc/29/94/59/631299459.db2.gz VCUMLYMRUMKPRP-CQSZACIVSA-N 1 2 313.449 3.098 20 10 DGCDLO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)c2nccc(N)n2)cc1 ZINC000846766625 631299463 /nfs/dbraw/zinc/29/94/63/631299463.db2.gz VCUMLYMRUMKPRP-CQSZACIVSA-N 1 2 313.449 3.098 20 10 DGCDLO CCc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1O ZINC000848888112 631772709 /nfs/dbraw/zinc/77/27/09/631772709.db2.gz MFWUULZCCXDRKK-MFKMUULPSA-N 1 2 303.324 3.106 20 10 DGCDLO CCc1cccc(C[N@H+]2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1O ZINC000848888112 631772713 /nfs/dbraw/zinc/77/27/13/631772713.db2.gz MFWUULZCCXDRKK-MFKMUULPSA-N 1 2 303.324 3.106 20 10 DGCDLO CCc1cccc(C[N@@H+]2C[C@@H](C(F)(F)F)OC[C@H]2C)c1O ZINC000848910152 631782749 /nfs/dbraw/zinc/78/27/49/631782749.db2.gz HJLYIEHNGQMZRY-MFKMUULPSA-N 1 2 303.324 3.106 20 10 DGCDLO CCc1cccc(C[N@H+]2C[C@@H](C(F)(F)F)OC[C@H]2C)c1O ZINC000848910152 631782752 /nfs/dbraw/zinc/78/27/52/631782752.db2.gz HJLYIEHNGQMZRY-MFKMUULPSA-N 1 2 303.324 3.106 20 10 DGCDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)c(F)c1)C2 ZINC000848925514 631790203 /nfs/dbraw/zinc/79/02/03/631790203.db2.gz FTSPXWAVAKSGDH-UHFFFAOYSA-N 1 2 300.377 3.416 20 10 DGCDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)c(F)c1)C2 ZINC000848925514 631790206 /nfs/dbraw/zinc/79/02/06/631790206.db2.gz FTSPXWAVAKSGDH-UHFFFAOYSA-N 1 2 300.377 3.416 20 10 DGCDLO COc1cccc(C[NH2+]CC(F)(F)c2cccc(F)c2)c1O ZINC000850354482 632123017 /nfs/dbraw/zinc/12/30/17/632123017.db2.gz KHZLGWNRHOXFFO-UHFFFAOYSA-N 1 2 311.303 3.422 20 10 DGCDLO Oc1cccc2c1[C@H](N[C@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000850538924 632187153 /nfs/dbraw/zinc/18/71/53/632187153.db2.gz OGWGKIGDIHOKQL-DOTOQJQBSA-N 1 2 300.446 3.376 20 10 DGCDLO Oc1cccc2c1[C@H](N[C@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000850538924 632187157 /nfs/dbraw/zinc/18/71/57/632187157.db2.gz OGWGKIGDIHOKQL-DOTOQJQBSA-N 1 2 300.446 3.376 20 10 DGCDLO C[C@H](c1ccsc1)[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000184972212 660196780 /nfs/dbraw/zinc/19/67/80/660196780.db2.gz GILWMCNODJYKED-CYBMUJFWSA-N 1 2 320.433 3.472 20 10 DGCDLO CC[C@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000708351416 660920278 /nfs/dbraw/zinc/92/02/78/660920278.db2.gz XQCQPQMPBCZSGM-GWCFXTLKSA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@H](C)O1 ZINC000708351416 660920279 /nfs/dbraw/zinc/92/02/79/660920279.db2.gz XQCQPQMPBCZSGM-GWCFXTLKSA-N 1 2 314.223 3.154 20 10 DGCDLO Cc1ccc(CC[NH2+]Cc2cccc(Br)c2O)o1 ZINC000709745679 660927238 /nfs/dbraw/zinc/92/72/38/660927238.db2.gz BXRLANQGTAILGF-UHFFFAOYSA-N 1 2 310.191 3.388 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000792778883 660984088 /nfs/dbraw/zinc/98/40/88/660984088.db2.gz WMWGFNXZIWMCNT-CQSZACIVSA-N 1 2 316.367 3.382 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000792778883 660984090 /nfs/dbraw/zinc/98/40/90/660984090.db2.gz WMWGFNXZIWMCNT-CQSZACIVSA-N 1 2 316.367 3.382 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000793610339 661049703 /nfs/dbraw/zinc/04/97/03/661049703.db2.gz UIFQCZDTRNGWHF-UHFFFAOYSA-N 1 2 319.767 3.393 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCc3sccc3C2)c1O ZINC000050132349 655636033 /nfs/dbraw/zinc/63/60/33/655636033.db2.gz KWABOWKYKCEIMH-UHFFFAOYSA-N 1 2 305.374 3.354 20 10 DGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCc3sccc3C2)c1O ZINC000050132349 655636034 /nfs/dbraw/zinc/63/60/34/655636034.db2.gz KWABOWKYKCEIMH-UHFFFAOYSA-N 1 2 305.374 3.354 20 10 DGCDLO CN(C)c1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000187705692 655727209 /nfs/dbraw/zinc/72/72/09/655727209.db2.gz WFLQJLYTSZCJQL-GOSISDBHSA-N 1 2 324.403 3.494 20 10 DGCDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CS1 ZINC000715768166 661214667 /nfs/dbraw/zinc/21/46/67/661214667.db2.gz CACVMFSXYQUIKQ-GMSGAONNSA-N 1 2 320.227 3.277 20 10 DGCDLO Oc1ccccc1CNc1cc(NCc2ccccc2O)[nH+]cn1 ZINC000095920814 657490440 /nfs/dbraw/zinc/49/04/40/657490440.db2.gz XTLGIBKGPXLOFA-UHFFFAOYSA-N 1 2 322.368 3.112 20 10 in-vitro DGCDLO CO[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)C1(C)C ZINC000227830043 659165390 /nfs/dbraw/zinc/16/53/90/659165390.db2.gz CDVGKJBIKDFXNC-NWDGAFQWSA-N 1 2 314.223 3.058 20 10 DGCDLO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1O ZINC000063191305 659370084 /nfs/dbraw/zinc/37/00/84/659370084.db2.gz JOHDIZRBJDHLHW-RNCFNFMXSA-N 1 2 303.233 3.401 20 10 DGCDLO COC(C)(C)C[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000174554711 659439081 /nfs/dbraw/zinc/43/90/81/659439081.db2.gz QQRQSXKXCGBDHX-JTQLQIEISA-N 1 2 316.239 3.448 20 10 DGCDLO C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000156067261 661857340 /nfs/dbraw/zinc/85/73/40/661857340.db2.gz LOMXVAITJHESML-GFCCVEGCSA-N 1 2 303.233 3.225 20 10 DGCDLO Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c1O ZINC000245856642 662242874 /nfs/dbraw/zinc/24/28/74/662242874.db2.gz NRYGLPVKANIVOX-GHMZBOCLSA-N 1 2 314.223 3.072 20 10 DGCDLO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c1O ZINC000245856642 662242875 /nfs/dbraw/zinc/24/28/75/662242875.db2.gz NRYGLPVKANIVOX-GHMZBOCLSA-N 1 2 314.223 3.072 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCN1CC(F)(F)F ZINC000092102927 662327060 /nfs/dbraw/zinc/32/70/60/662327060.db2.gz AYGMMFKAEZKOCY-SNVBAGLBSA-N 1 2 322.758 3.114 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCN1CC(F)(F)F ZINC000092102927 662327061 /nfs/dbraw/zinc/32/70/61/662327061.db2.gz AYGMMFKAEZKOCY-SNVBAGLBSA-N 1 2 322.758 3.114 20 10 DGCDLO CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000092486738 662332135 /nfs/dbraw/zinc/33/21/35/662332135.db2.gz LJWNGPQPPDATNA-GXFFZTMASA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000092486738 662332136 /nfs/dbraw/zinc/33/21/36/662332136.db2.gz LJWNGPQPPDATNA-GXFFZTMASA-N 1 2 314.223 3.154 20 10 DGCDLO CC[C@H]1C[NH+](Cc2cc(F)cc(C(C)=O)c2O)C[C@H](CC)O1 ZINC000398443518 685237339 /nfs/dbraw/zinc/23/73/39/685237339.db2.gz PVVYLNYPHWBXCQ-GJZGRUSLSA-N 1 2 309.381 3.123 20 10 DGCDLO Nc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC001334774789 1178795112 /nfs/dbraw/zinc/79/51/12/1178795112.db2.gz OCPLWFMMERIERK-QGZVFWFLSA-N 1 2 302.805 3.496 20 10 DGCDLO Nc1ccc(C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC001334774789 1178795118 /nfs/dbraw/zinc/79/51/18/1178795118.db2.gz OCPLWFMMERIERK-QGZVFWFLSA-N 1 2 302.805 3.496 20 10 DGCDLO Nc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC001352789009 1180400313 /nfs/dbraw/zinc/40/03/13/1180400313.db2.gz UAFGRYZNCPNVST-QGZVFWFLSA-N 1 2 304.340 3.121 20 10 DGCDLO Nc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC001352789009 1180400317 /nfs/dbraw/zinc/40/03/17/1180400317.db2.gz UAFGRYZNCPNVST-QGZVFWFLSA-N 1 2 304.340 3.121 20 10 DGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001461128921 1182771821 /nfs/dbraw/zinc/77/18/21/1182771821.db2.gz LEWYDRWVXNRCMN-UHFFFAOYSA-N 1 2 307.752 3.409 20 10 DGCDLO [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCNc1cccc[nH+]1 ZINC001461262326 1182788507 /nfs/dbraw/zinc/78/85/07/1182788507.db2.gz JIZCTXHAAJTRTA-UHFFFAOYSA-N 1 2 309.772 3.172 20 10 DGCDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(F)c(F)cc2O)[nH]1 ZINC001462184217 1182920735 /nfs/dbraw/zinc/92/07/35/1182920735.db2.gz QJWBCSYYYZCBBC-IUCAKERBSA-N 1 2 310.348 3.153 20 10 DGCDLO Cc1ccc(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)c(O)c1 ZINC001462268187 1182931540 /nfs/dbraw/zinc/93/15/40/1182931540.db2.gz UYQMZLRPEIPHPV-UHFFFAOYSA-N 1 2 308.385 3.417 20 10 DGCDLO COC(=O)c1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1Cl ZINC001474676998 1183960841 /nfs/dbraw/zinc/96/08/41/1183960841.db2.gz AOQLWZNZGNKAMI-UHFFFAOYSA-N 1 2 317.772 3.348 20 10 DGCDLO COC(=O)c1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1Cl ZINC001474676998 1183960843 /nfs/dbraw/zinc/96/08/43/1183960843.db2.gz AOQLWZNZGNKAMI-UHFFFAOYSA-N 1 2 317.772 3.348 20 10 DGCDLO CCOC(=O)[C@@H](CC1CC1)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001560995917 1189416980 /nfs/dbraw/zinc/41/69/80/1189416980.db2.gz CEPQFDADLGPILL-MRXNPFEDSA-N 1 2 305.418 3.337 20 10 DGCDLO COC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1F ZINC001561044156 1189425091 /nfs/dbraw/zinc/42/50/91/1189425091.db2.gz UDQUDHPCEQJKHT-UHFFFAOYSA-N 1 2 323.751 3.261 20 10 DGCDLO CCOC(CCC[NH2+]Cc1cc(Cl)cc(F)c1O)OCC ZINC001656633934 1196056684 /nfs/dbraw/zinc/05/66/84/1196056684.db2.gz IVJBXCLNUOEFGY-UHFFFAOYSA-N 1 2 319.804 3.454 20 10 DGCDLO C[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCCC[C@@H]1O ZINC001656689455 1196062502 /nfs/dbraw/zinc/06/25/02/1196062502.db2.gz XXVBZULUKQCWEL-DZGCQCFKSA-N 1 2 301.789 3.216 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC001659756348 1196411246 /nfs/dbraw/zinc/41/12/46/1196411246.db2.gz PFGLMZYTJMYIGY-WFASDCNBSA-N 1 2 316.367 3.213 20 10 DGCDLO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC001659756348 1196411248 /nfs/dbraw/zinc/41/12/48/1196411248.db2.gz PFGLMZYTJMYIGY-WFASDCNBSA-N 1 2 316.367 3.213 20 10 DGCDLO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)Cc2ccccc2O1 ZINC001659908865 1196427671 /nfs/dbraw/zinc/42/76/71/1196427671.db2.gz BHWIWXDJOYYQPA-LLVKDONJSA-N 1 2 305.324 3.454 20 10 DGCDLO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)Cc2ccccc2O1 ZINC001659908865 1196427673 /nfs/dbraw/zinc/42/76/73/1196427673.db2.gz BHWIWXDJOYYQPA-LLVKDONJSA-N 1 2 305.324 3.454 20 10 DGCDLO Oc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001660334622 1196472635 /nfs/dbraw/zinc/47/26/35/1196472635.db2.gz KTPKBDNRAMTLKS-UHFFFAOYSA-N 1 2 305.761 3.146 20 10 DGCDLO Oc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1O)CCO2 ZINC001660334622 1196472637 /nfs/dbraw/zinc/47/26/37/1196472637.db2.gz KTPKBDNRAMTLKS-UHFFFAOYSA-N 1 2 305.761 3.146 20 10 DGCDLO Cc1ccc(C[NH2+]Cc2noc(-c3ccccc3C)n2)c(O)c1 ZINC001664414104 1196996272 /nfs/dbraw/zinc/99/62/72/1196996272.db2.gz JWFLFVMHEOIMGO-UHFFFAOYSA-N 1 2 309.369 3.349 20 10 DGCDLO