smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)C1C[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000297483276 200205974 /nfs/dbraw/zinc/20/59/74/200205974.db2.gz UKJMSJYXOVKDIS-UHFFFAOYSA-N 1 2 295.295 0.487 20 10 CCCDLO C[C@@H](C(=O)N(C)Cc1ccccc1O)[NH+]1CCN(C)CC1 ZINC000263676195 524086509 /nfs/dbraw/zinc/08/65/09/524086509.db2.gz MBVPXXPHMQTVRX-ZDUSSCGKSA-N 1 2 291.395 0.987 20 10 CCCDLO NC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000126312903 527012284 /nfs/dbraw/zinc/01/22/84/527012284.db2.gz RYRDZPZGOWRBTD-LLVKDONJSA-N 1 2 270.716 0.732 20 10 CCCDLO NC(=O)[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000126312903 527012289 /nfs/dbraw/zinc/01/22/89/527012289.db2.gz RYRDZPZGOWRBTD-LLVKDONJSA-N 1 2 270.716 0.732 20 10 CCCDLO O=C(NCC[N@H+]1CCCOCC1)C1=CC(=O)CS1 ZINC000783935010 581367859 /nfs/dbraw/zinc/36/78/59/581367859.db2.gz VDDJBBZSRXABGM-UHFFFAOYSA-N 1 2 270.354 0.906 20 10 CCCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nnn(C)n2)c1 ZINC000787036762 581456429 /nfs/dbraw/zinc/45/64/29/581456429.db2.gz FIXKFWPDJDYFFF-MRVPVSSYSA-N 1 2 291.311 0.553 20 10 CCCDLO CC(=O)C(=O)COC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811443189 613660064 /nfs/dbraw/zinc/66/00/64/613660064.db2.gz CDVDBFLUYCQHRV-ZDUSSCGKSA-N 1 2 273.304 0.900 20 10 CCCDLO CC(=O)C(=O)COC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000811443189 613660066 /nfs/dbraw/zinc/66/00/66/613660066.db2.gz CDVDBFLUYCQHRV-ZDUSSCGKSA-N 1 2 273.304 0.900 20 10 CCCDLO Oc1c(F)cc(F)cc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000894085950 631509384 /nfs/dbraw/zinc/50/93/84/631509384.db2.gz RVAATLVXQGXRAM-AOOOYVTPSA-N 1 2 259.252 0.598 20 10 CCCDLO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000894085950 631509388 /nfs/dbraw/zinc/50/93/88/631509388.db2.gz RVAATLVXQGXRAM-AOOOYVTPSA-N 1 2 259.252 0.598 20 10 CCCDLO Cc1[nH]c(C=C2C(=O)N(C)C(=O)N(C)C2=O)[nH+]c1C ZINC000901416252 634239312 /nfs/dbraw/zinc/23/93/12/634239312.db2.gz FLBIMPAPAUYXMD-UHFFFAOYSA-N 1 2 262.269 0.460 20 10 CCCDLO Oc1c(F)cc(F)cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000883191991 647498689 /nfs/dbraw/zinc/49/86/89/647498689.db2.gz OSYBRAFVDIDDOF-NSHDSACASA-N 1 2 272.295 0.827 20 10 CCCDLO O=C1NC[C@]2(CCC[N@@H+](Cc3cc(O)c(O)c(O)c3)C2)O1 ZINC001233016751 806008476 /nfs/dbraw/zinc/00/84/76/806008476.db2.gz NEQQGFYZQDPGLQ-AWEZNQCLSA-N 1 2 294.307 0.878 20 10 CCCDLO O=C1NC[C@]2(CCC[N@H+](Cc3cc(O)c(O)c(O)c3)C2)O1 ZINC001233016751 806008482 /nfs/dbraw/zinc/00/84/82/806008482.db2.gz NEQQGFYZQDPGLQ-AWEZNQCLSA-N 1 2 294.307 0.878 20 10 CCCDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485786 806061593 /nfs/dbraw/zinc/06/15/93/806061593.db2.gz KOGBMLOEZKEGPP-SECBINFHSA-N 1 2 287.337 0.422 20 10 CCCDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485786 806061604 /nfs/dbraw/zinc/06/16/04/806061604.db2.gz KOGBMLOEZKEGPP-SECBINFHSA-N 1 2 287.337 0.422 20 10 CCCDLO CN1CCOc2cc(C[N@@H+]3CCO[C@H](CO)C3)ccc21 ZINC001141141290 799985002 /nfs/dbraw/zinc/98/50/02/799985002.db2.gz WNACFWRUJYILFD-ZDUSSCGKSA-N 1 2 278.352 0.708 20 10 CCCDLO CN1CCOc2cc(C[N@H+]3CCO[C@H](CO)C3)ccc21 ZINC001141141290 799985008 /nfs/dbraw/zinc/98/50/08/799985008.db2.gz WNACFWRUJYILFD-ZDUSSCGKSA-N 1 2 278.352 0.708 20 10 CCCDLO CC(=O)[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CCO1 ZINC001204282729 803076286 /nfs/dbraw/zinc/07/62/86/803076286.db2.gz UBCJKFBKTSXUFJ-ZDUSSCGKSA-N 1 2 251.282 0.888 20 10 CCCDLO CC(=O)[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)CCO1 ZINC001204282729 803076292 /nfs/dbraw/zinc/07/62/92/803076292.db2.gz UBCJKFBKTSXUFJ-ZDUSSCGKSA-N 1 2 251.282 0.888 20 10 CCCDLO CN1CC2(C[NH+](Cc3ccccc3O)C2)OCC1=O ZINC001272619049 816866594 /nfs/dbraw/zinc/86/65/94/816866594.db2.gz QYCITNMEPWBXHH-UHFFFAOYSA-N 1 2 262.309 0.435 20 10 CCCDLO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(F)c(F)c1O ZINC000703418056 819268809 /nfs/dbraw/zinc/26/88/09/819268809.db2.gz SFULDKTZBPPSPR-UHFFFAOYSA-N 1 2 294.323 0.651 20 10 CCCDLO O=C(c1cc(O)c(O)c(O)c1)N1CCc2[nH+]ccn2CC1 ZINC001148584351 840851734 /nfs/dbraw/zinc/85/17/34/840851734.db2.gz SRVKEWAENYZYCO-UHFFFAOYSA-N 1 2 289.291 0.698 20 10 CCCDLO COc1ccccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000037874572 849272488 /nfs/dbraw/zinc/27/24/88/849272488.db2.gz LZUOIKFBLFFEAL-GFCCVEGCSA-N 1 2 266.341 0.800 20 10 CCCDLO CCN1CC[N@H+](Cc2cc3c(cc2O)OCO3)CC1=O ZINC000273484671 353112263 /nfs/dbraw/zinc/11/22/63/353112263.db2.gz MABAVSYVJQUVFM-UHFFFAOYSA-N 1 2 278.308 0.785 20 10 CCCDLO CCN1CC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1=O ZINC000273484671 353112267 /nfs/dbraw/zinc/11/22/67/353112267.db2.gz MABAVSYVJQUVFM-UHFFFAOYSA-N 1 2 278.308 0.785 20 10 CCCDLO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000193612777 389074649 /nfs/dbraw/zinc/07/46/49/389074649.db2.gz WSLAGHFRQUHVPF-PRHODGIISA-N 1 2 279.296 0.915 20 10 CCCDLO COc1cccc(C[N@H+](C)CCS(C)(=O)=O)c1O ZINC000156086810 261113268 /nfs/dbraw/zinc/11/32/68/261113268.db2.gz QSRAVLOHELVTNS-UHFFFAOYSA-N 1 2 273.354 0.877 20 10 CCCDLO COc1cccc(C[N@@H+](C)CCS(C)(=O)=O)c1O ZINC000156086810 261113270 /nfs/dbraw/zinc/11/32/70/261113270.db2.gz QSRAVLOHELVTNS-UHFFFAOYSA-N 1 2 273.354 0.877 20 10 CCCDLO O=C(NCC[N@@H+]1CCCOCC1)c1c(F)ccc(O)c1O ZINC000295715064 328286805 /nfs/dbraw/zinc/28/68/05/328286805.db2.gz GLRIHUQQCRCQHS-UHFFFAOYSA-N 1 2 298.314 0.689 20 10 CCCDLO O=C(NCC[N@H+]1CCCOCC1)c1c(F)ccc(O)c1O ZINC000295715064 328286807 /nfs/dbraw/zinc/28/68/07/328286807.db2.gz GLRIHUQQCRCQHS-UHFFFAOYSA-N 1 2 298.314 0.689 20 10 CCCDLO COc1cccc(C[N@@H+]2CCN(C)C(=O)C2)c1O ZINC000127379872 525945916 /nfs/dbraw/zinc/94/59/16/525945916.db2.gz KVMICHAOYJVVGS-UHFFFAOYSA-N 1 2 250.298 0.675 20 10 CCCDLO COc1cccc(C[N@H+]2CCN(C)C(=O)C2)c1O ZINC000127379872 525945927 /nfs/dbraw/zinc/94/59/27/525945927.db2.gz KVMICHAOYJVVGS-UHFFFAOYSA-N 1 2 250.298 0.675 20 10 CCCDLO CNC(=O)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000789705244 581154623 /nfs/dbraw/zinc/15/46/23/581154623.db2.gz AENPIQFGEHMYJH-UHFFFAOYSA-N 1 2 291.351 0.526 20 10 CCCDLO CCc1cccc(C[NH+]2CC(NS(C)(=O)=O)C2)c1O ZINC000862486130 615682531 /nfs/dbraw/zinc/68/25/31/615682531.db2.gz WNPISIIHFMDMBF-UHFFFAOYSA-N 1 2 284.381 0.688 20 10 CCCDLO C[N@@H+]1CCOC[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000862972289 616249844 /nfs/dbraw/zinc/24/98/44/616249844.db2.gz ZLYJLIYIYHACBS-KTLBGCOUSA-N 1 2 292.335 0.558 20 10 CCCDLO C[N@H+]1CCOC[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000862972289 616249845 /nfs/dbraw/zinc/24/98/45/616249845.db2.gz ZLYJLIYIYHACBS-KTLBGCOUSA-N 1 2 292.335 0.558 20 10 CCCDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1=CC(=O)CS1 ZINC000898885066 633681365 /nfs/dbraw/zinc/68/13/65/633681365.db2.gz WODOVCCQFNLWFW-MRVPVSSYSA-N 1 2 267.310 0.651 20 10 CCCDLO NC(=O)C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000862535721 645005623 /nfs/dbraw/zinc/00/56/23/645005623.db2.gz XDHAMJBTKIUBNW-LLVKDONJSA-N 1 2 268.288 0.608 20 10 CCCDLO NC(=O)C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000862535721 645005626 /nfs/dbraw/zinc/00/56/26/645005626.db2.gz XDHAMJBTKIUBNW-LLVKDONJSA-N 1 2 268.288 0.608 20 10 CCCDLO CN1CCN(C2C[NH+](Cc3cccc(F)c3O)C2)CC1=O ZINC001138128451 799703113 /nfs/dbraw/zinc/70/31/13/799703113.db2.gz KUMHKWNYGQCWPJ-UHFFFAOYSA-N 1 2 293.342 0.490 20 10 CCCDLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)Cc1ccc(N)cc1 ZINC001158007021 801551911 /nfs/dbraw/zinc/55/19/11/801551911.db2.gz PXZSXOSNUDXXEZ-CYBMUJFWSA-N 1 2 291.351 0.175 20 10 CCCDLO COc1cc(C[N@@H+]2CCOC[C@H](O)C2)cc(O)c1O ZINC001204343409 803080335 /nfs/dbraw/zinc/08/03/35/803080335.db2.gz PLXDIBVOBKKVBL-SNVBAGLBSA-N 1 2 269.297 0.300 20 10 CCCDLO COc1cc(C[N@H+]2CCOC[C@H](O)C2)cc(O)c1O ZINC001204343409 803080340 /nfs/dbraw/zinc/08/03/40/803080340.db2.gz PLXDIBVOBKKVBL-SNVBAGLBSA-N 1 2 269.297 0.300 20 10 CCCDLO [NH3+][C@@H]1CCN(Cc2c(O)cc(F)cc2F)C[C@H]1O ZINC001205959642 803191912 /nfs/dbraw/zinc/19/19/12/803191912.db2.gz RBGAARKBWOCGFV-ZYHUDNBSSA-N 1 2 258.268 0.564 20 10 CCCDLO COC(=O)Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C)c(O)c1 ZINC001249201519 807547606 /nfs/dbraw/zinc/54/76/06/807547606.db2.gz WEORRJFAWMHXOH-JTQLQIEISA-N 1 2 292.335 0.428 20 10 CCCDLO COC(=O)Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2C)c(O)c1 ZINC001249201519 807547609 /nfs/dbraw/zinc/54/76/09/807547609.db2.gz WEORRJFAWMHXOH-JTQLQIEISA-N 1 2 292.335 0.428 20 10 CCCDLO COC(=O)Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2C)c(O)c1 ZINC001249201520 807547661 /nfs/dbraw/zinc/54/76/61/807547661.db2.gz WEORRJFAWMHXOH-SNVBAGLBSA-N 1 2 292.335 0.428 20 10 CCCDLO COC(=O)Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2C)c(O)c1 ZINC001249201520 807547663 /nfs/dbraw/zinc/54/76/63/807547663.db2.gz WEORRJFAWMHXOH-SNVBAGLBSA-N 1 2 292.335 0.428 20 10 CCCDLO CC[N@H+]1CC[C@H](NCC(=O)c2ccc(O)c(O)c2)C1 ZINC001173355721 842055147 /nfs/dbraw/zinc/05/51/47/842055147.db2.gz UUBQLNRLUQOYIU-NSHDSACASA-N 1 2 264.325 0.964 20 10 CCCDLO CCN1CC[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001173355721 842055126 /nfs/dbraw/zinc/05/51/26/842055126.db2.gz UUBQLNRLUQOYIU-NSHDSACASA-N 1 2 264.325 0.964 20 10 CCCDLO CC[N@@H+]1CC[C@H](NCC(=O)c2ccc(O)c(O)c2)C1 ZINC001173355721 842055135 /nfs/dbraw/zinc/05/51/35/842055135.db2.gz UUBQLNRLUQOYIU-NSHDSACASA-N 1 2 264.325 0.964 20 10 CCCDLO COc1cc(C[NH+]2CC3(CCN3C)C2)c(O)cc1O ZINC001276090298 848920589 /nfs/dbraw/zinc/92/05/89/848920589.db2.gz ASWRDILPLHLJTC-UHFFFAOYSA-N 1 2 264.325 0.996 20 10 CCCDLO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000193612807 351836145 /nfs/dbraw/zinc/83/61/45/351836145.db2.gz WSLAGHFRQUHVPF-PELKAZGASA-N 1 2 279.296 0.915 20 10 CCCDLO CN(CC[NH+]1CCOCC1)C(=O)c1cccc(O)c1O ZINC000193008420 351807135 /nfs/dbraw/zinc/80/71/35/351807135.db2.gz IHPLZTNJTGSSCP-UHFFFAOYSA-N 1 2 280.324 0.502 20 10 CCCDLO C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H](C)[NH+]1CCOCC1 ZINC000193022997 351808427 /nfs/dbraw/zinc/80/84/27/351808427.db2.gz JHNPQTRUQBRWDD-GHMZBOCLSA-N 1 2 294.351 0.937 20 10 CCCDLO CNC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000272744655 353090576 /nfs/dbraw/zinc/09/05/76/353090576.db2.gz LZLOTFBTXMIJDR-LBPRGKRZSA-N 1 2 284.743 0.992 20 10 CCCDLO CNC(=O)[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000272744655 353090579 /nfs/dbraw/zinc/09/05/79/353090579.db2.gz LZLOTFBTXMIJDR-LBPRGKRZSA-N 1 2 284.743 0.992 20 10 CCCDLO COc1c(O)c(C[N@@H+]2CCOC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000294825420 353890446 /nfs/dbraw/zinc/89/04/46/353890446.db2.gz PLCUSYHRRKFAIN-SNVBAGLBSA-N 1 2 298.295 0.502 20 10 CCCDLO COc1c(O)c(C[N@H+]2CCOC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000294825420 353890449 /nfs/dbraw/zinc/89/04/49/353890449.db2.gz PLCUSYHRRKFAIN-SNVBAGLBSA-N 1 2 298.295 0.502 20 10 CCCDLO COCCN1CC[N@H+](Cc2cc(OC)ccc2O)CC1=O ZINC000181575998 389689206 /nfs/dbraw/zinc/68/92/06/389689206.db2.gz HXDGDBMOFKGBKV-UHFFFAOYSA-N 1 2 294.351 0.691 20 10 CCCDLO COCCN1CC[N@@H+](Cc2cc(OC)ccc2O)CC1=O ZINC000181575998 389689208 /nfs/dbraw/zinc/68/92/08/389689208.db2.gz HXDGDBMOFKGBKV-UHFFFAOYSA-N 1 2 294.351 0.691 20 10 CCCDLO CNC(=O)NC[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000529643514 390848679 /nfs/dbraw/zinc/84/86/79/390848679.db2.gz KKEKRLVXDRTYIQ-LBPRGKRZSA-N 1 2 297.330 0.661 20 10 CCCDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000529643514 390848681 /nfs/dbraw/zinc/84/86/81/390848681.db2.gz KKEKRLVXDRTYIQ-LBPRGKRZSA-N 1 2 297.330 0.661 20 10 CCCDLO CC(=O)c1cc(F)cc(CN2CC[NH+](CCO)CC2)c1O ZINC000050132176 518282662 /nfs/dbraw/zinc/28/26/62/518282662.db2.gz GWZHOSSLMNUCEC-UHFFFAOYSA-N 1 2 296.342 0.844 20 10 CCCDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000783735202 581357534 /nfs/dbraw/zinc/35/75/34/581357534.db2.gz ZXEHQIPMOUYQKZ-SECBINFHSA-N 1 2 278.308 0.783 20 10 CCCDLO C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000783735202 581357535 /nfs/dbraw/zinc/35/75/35/581357535.db2.gz ZXEHQIPMOUYQKZ-SECBINFHSA-N 1 2 278.308 0.783 20 10 CCCDLO COc1ccc(CNC(=O)Cn2cc[nH+]c2)c(O)c1 ZINC000794381766 581366406 /nfs/dbraw/zinc/36/64/06/581366406.db2.gz SVCHJJXDAINRRX-UHFFFAOYSA-N 1 2 261.281 0.914 20 10 CCCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000835028091 616011204 /nfs/dbraw/zinc/01/12/04/616011204.db2.gz PFJNSWDHAISEJV-BWPKMQGJSA-N 1 2 289.379 0.952 20 10 CCCDLO CN(C)c1ccc(/C=C/C[N@H+]2CCO[C@H](C(N)=O)C2)cc1 ZINC000835028091 616011206 /nfs/dbraw/zinc/01/12/06/616011206.db2.gz PFJNSWDHAISEJV-BWPKMQGJSA-N 1 2 289.379 0.952 20 10 CCCDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cc1O ZINC000876531833 616705202 /nfs/dbraw/zinc/70/52/02/616705202.db2.gz QNDKOBAKQYDOOW-LBPRGKRZSA-N 1 2 292.335 0.564 20 10 CCCDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876531833 616705205 /nfs/dbraw/zinc/70/52/05/616705205.db2.gz QNDKOBAKQYDOOW-LBPRGKRZSA-N 1 2 292.335 0.564 20 10 CCCDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cccc(O)c1O ZINC000308694745 624944338 /nfs/dbraw/zinc/94/43/38/624944338.db2.gz IMKONOWHQDUERA-UHFFFAOYSA-N 1 2 294.351 0.938 20 10 CCCDLO Cc1cc(N(C)C)ccc1C[NH+]1CC2(C1)NC(=O)NC2=O ZINC000897904278 633254621 /nfs/dbraw/zinc/25/46/21/633254621.db2.gz YRHMCKYZSSTSJI-UHFFFAOYSA-N 1 2 288.351 0.455 20 10 CCCDLO NC(=O)C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000862534450 645004385 /nfs/dbraw/zinc/00/43/85/645004385.db2.gz CBAYNFWZFKJBMB-JTQLQIEISA-N 1 2 294.307 0.197 20 10 CCCDLO NC(=O)C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000862534450 645004389 /nfs/dbraw/zinc/00/43/89/645004389.db2.gz CBAYNFWZFKJBMB-JTQLQIEISA-N 1 2 294.307 0.197 20 10 CCCDLO Cc1ccc(C[NH+]2CC(NS(C)(=O)=O)C2)c(O)c1 ZINC000877654571 646833015 /nfs/dbraw/zinc/83/30/15/646833015.db2.gz QZTFUTRQYMIIMW-UHFFFAOYSA-N 1 2 270.354 0.434 20 10 CCCDLO OC[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)C[C@H]1O ZINC001233332562 806042576 /nfs/dbraw/zinc/04/25/76/806042576.db2.gz PEXDNZZGONAWQJ-PRHODGIISA-N 1 2 273.279 0.846 20 10 CCCDLO Oc1cc(O)c(C[NH+]2CC(N3CC(F)C3)C2)cc1O ZINC001233482138 806059702 /nfs/dbraw/zinc/05/97/02/806059702.db2.gz AUVKZERBCHEUDX-UHFFFAOYSA-N 1 2 268.288 0.641 20 10 CCCDLO COc1cc(O)c(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)cc1OC ZINC001236751659 806607259 /nfs/dbraw/zinc/60/72/59/806607259.db2.gz VZUOWOKEYBGPBC-GXSJLCMTSA-N 1 2 271.288 0.924 20 10 CCCDLO COc1cc(O)c(C[N@H+]2C[C@@H](O)[C@@H](F)C2)cc1OC ZINC001236751659 806607265 /nfs/dbraw/zinc/60/72/65/806607265.db2.gz 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QEUVCGLSLMWBSG-UHFFFAOYSA-N 1 2 291.351 0.139 20 10 CCCDLO Cc1cc(C)c(O)c(C[N@H+]2CCN(CC(N)=O)C(=O)C2)c1 ZINC000840160149 640889440 /nfs/dbraw/zinc/88/94/40/640889440.db2.gz QEUVCGLSLMWBSG-UHFFFAOYSA-N 1 2 291.351 0.139 20 10 CCCDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2=CC(=O)CS2)[C@H](C)C1 ZINC000832490610 642487534 /nfs/dbraw/zinc/48/75/34/642487534.db2.gz OESPASYEFIWYNF-NXEZZACHSA-N 1 2 284.381 0.981 20 10 CCCDLO C[C@@H](O)C[N@H+]1CCN(C(=O)C2=CC(=O)CS2)[C@H](C)C1 ZINC000832490610 642487544 /nfs/dbraw/zinc/48/75/44/642487544.db2.gz OESPASYEFIWYNF-NXEZZACHSA-N 1 2 284.381 0.981 20 10 CCCDLO C[C@H]1CN(Cc2ccccc2O)CC[N@@H+]1CCO ZINC000190236926 649439001 /nfs/dbraw/zinc/43/90/01/649439001.db2.gz OKJAJNQDWRGAQU-LBPRGKRZSA-N 1 2 250.342 0.891 20 10 CCCDLO C[C@H]1CN(Cc2ccccc2O)CC[N@H+]1CCO ZINC000190236926 649439004 /nfs/dbraw/zinc/43/90/04/649439004.db2.gz OKJAJNQDWRGAQU-LBPRGKRZSA-N 1 2 250.342 0.891 20 10 CCCDLO Oc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)cc(O)c1O ZINC001233010596 806004192 /nfs/dbraw/zinc/00/41/92/806004192.db2.gz RIRPJLXLFZGBNO-KCJUWKMLSA-N 1 2 257.261 0.708 20 10 CCCDLO Oc1cc(C[N@H+]2CC[C@@H](F)[C@@H](O)C2)cc(O)c1O ZINC001233010596 806004202 /nfs/dbraw/zinc/00/42/02/806004202.db2.gz RIRPJLXLFZGBNO-KCJUWKMLSA-N 1 2 257.261 0.708 20 10 CCCDLO CN1CCC2(C[NH+](Cc3cc(O)c(O)c(O)c3)C2)C1=O ZINC001233018470 806009591 /nfs/dbraw/zinc/00/95/91/806009591.db2.gz WHJJHESZLZUFLY-UHFFFAOYSA-N 1 2 278.308 0.468 20 10 CCCDLO COC[C@H]1COCC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233487050 806062853 /nfs/dbraw/zinc/06/28/53/806062853.db2.gz NLVORHHQMWOZDR-JTQLQIEISA-N 1 2 269.297 0.651 20 10 CCCDLO COC[C@H]1COCC[N@H+]1Cc1cc(O)c(O)cc1O ZINC001233487050 806062863 /nfs/dbraw/zinc/06/28/63/806062863.db2.gz NLVORHHQMWOZDR-JTQLQIEISA-N 1 2 269.297 0.651 20 10 CCCDLO C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(O)cc1O ZINC001204279278 803077313 /nfs/dbraw/zinc/07/73/13/803077313.db2.gz VLGJYFYVVAYRPM-SECBINFHSA-N 1 2 250.298 0.760 20 10 CCCDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(O)cc1O ZINC001204279278 803077320 /nfs/dbraw/zinc/07/73/20/803077320.db2.gz VLGJYFYVVAYRPM-SECBINFHSA-N 1 2 250.298 0.760 20 10 CCCDLO COc1cc(C[NH+]2CC(C(=O)N(C)C)C2)cc(O)c1O ZINC001204344429 803079962 /nfs/dbraw/zinc/07/99/62/803079962.db2.gz HHAVGIILEVRRKT-UHFFFAOYSA-N 1 2 280.324 0.626 20 10 CCCDLO CNC(=O)C[N@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204342249 803080148 /nfs/dbraw/zinc/08/01/48/803080148.db2.gz JWULAYNWIRCHLI-UHFFFAOYSA-N 1 2 254.286 0.284 20 10 CCCDLO CNC(=O)C[N@@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204342249 803080155 /nfs/dbraw/zinc/08/01/55/803080155.db2.gz JWULAYNWIRCHLI-UHFFFAOYSA-N 1 2 254.286 0.284 20 10 CCCDLO COC(=O)Cc1ccc(C[NH+]2CC(OC(C)=O)C2)c(O)c1 ZINC001249201054 807546633 /nfs/dbraw/zinc/54/66/33/807546633.db2.gz CAUZCULIJAXGEU-UHFFFAOYSA-N 1 2 293.319 0.855 20 10 CCCDLO O=C(C[NH2+]C[C@@H](O)C(F)(F)F)c1ccc(O)c(O)c1 ZINC001250995682 807632019 /nfs/dbraw/zinc/63/20/19/807632019.db2.gz WWXHEPVZNCLJNV-SNVBAGLBSA-N 1 2 279.214 0.793 20 10 CCCDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N)cc2)CCO1 ZINC001262487543 809318761 /nfs/dbraw/zinc/31/87/61/809318761.db2.gz WXFHAYKWFOOJAJ-LBPRGKRZSA-N 1 2 250.298 0.643 20 10 CCCDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N)cc2)CCO1 ZINC001262487543 809318766 /nfs/dbraw/zinc/31/87/66/809318766.db2.gz WXFHAYKWFOOJAJ-LBPRGKRZSA-N 1 2 250.298 0.643 20 10 CCCDLO O=C(CCn1cc[nH+]c1)NCC(=O)c1ccc(O)c(O)c1 ZINC001176883241 842439103 /nfs/dbraw/zinc/43/91/03/842439103.db2.gz GDNDMHKCBFPYIV-UHFFFAOYSA-N 1 2 289.291 0.684 20 10 CCCDLO C[N@@H+]1CCCC[C@@H]1C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001178701418 842906051 /nfs/dbraw/zinc/90/60/51/842906051.db2.gz LSCSRAQNWAJDNE-LLVKDONJSA-N 1 2 292.335 0.881 20 10 CCCDLO C[N@H+]1CCCC[C@@H]1C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001178701418 842906056 /nfs/dbraw/zinc/90/60/56/842906056.db2.gz LSCSRAQNWAJDNE-LLVKDONJSA-N 1 2 292.335 0.881 20 10 CCCDLO COc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc(O)c1O ZINC001193114481 845982705 /nfs/dbraw/zinc/98/27/05/845982705.db2.gz RMNNXWGJPBVTRH-SNVBAGLBSA-N 1 2 296.323 0.167 20 10 CCCDLO COc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc(O)c1O ZINC001193114481 845982708 /nfs/dbraw/zinc/98/27/08/845982708.db2.gz RMNNXWGJPBVTRH-SNVBAGLBSA-N 1 2 296.323 0.167 20 10 CCCDLO COc1ccccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000037874571 849273142 /nfs/dbraw/zinc/27/31/42/849273142.db2.gz LZUOIKFBLFFEAL-LBPRGKRZSA-N 1 2 266.341 0.800 20 10 CCCDLO C[C@H]([C@H](C)NC(=O)c1cccc(O)c1O)[NH+]1CCOCC1 ZINC000193022986 351808496 /nfs/dbraw/zinc/80/84/96/351808496.db2.gz JHNPQTRUQBRWDD-WDEREUQCSA-N 1 2 294.351 0.937 20 10 CCCDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000126840000 284179357 /nfs/dbraw/zinc/17/93/57/284179357.db2.gz PDQWHNMIBQXERM-FZMZJTMJSA-N 1 2 296.342 1.000 20 10 CCCDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000126840000 284179359 /nfs/dbraw/zinc/17/93/59/284179359.db2.gz PDQWHNMIBQXERM-FZMZJTMJSA-N 1 2 296.342 1.000 20 10 CCCDLO C[C@H](O)C(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180209822 389667162 /nfs/dbraw/zinc/66/71/62/389667162.db2.gz FEFUSPZHJSSQQQ-JTQLQIEISA-N 1 2 282.315 0.556 20 10 CCCDLO COc1cc(O)c(C[N@@H+]2CCN(C)C(=O)C2)cc1OC ZINC000180292657 389667958 /nfs/dbraw/zinc/66/79/58/389667958.db2.gz PKFDQGZMPAWSNS-UHFFFAOYSA-N 1 2 280.324 0.683 20 10 CCCDLO COc1cc(O)c(C[N@H+]2CCN(C)C(=O)C2)cc1OC ZINC000180292657 389667960 /nfs/dbraw/zinc/66/79/60/389667960.db2.gz PKFDQGZMPAWSNS-UHFFFAOYSA-N 1 2 280.324 0.683 20 10 CCCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000276629661 523990828 /nfs/dbraw/zinc/99/08/28/523990828.db2.gz PDQWHNMIBQXERM-SMDDNHRTSA-N 1 2 296.342 1.000 20 10 CCCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000276629661 523990831 /nfs/dbraw/zinc/99/08/31/523990831.db2.gz PDQWHNMIBQXERM-SMDDNHRTSA-N 1 2 296.342 1.000 20 10 CCCDLO COc1ccc(O)c(C[NH+]2CC(NC(C)=O)C2)c1 ZINC000297494562 524739963 /nfs/dbraw/zinc/73/99/63/524739963.db2.gz UIQYYINWIVVLPO-UHFFFAOYSA-N 1 2 250.298 0.721 20 10 CCCDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2O)CCO1 ZINC000769333138 581684937 /nfs/dbraw/zinc/68/49/37/581684937.db2.gz QMEJNUXYNFWVLT-LBPRGKRZSA-N 1 2 281.308 0.775 20 10 CCCDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)CCO1 ZINC000769333138 581684939 /nfs/dbraw/zinc/68/49/39/581684939.db2.gz QMEJNUXYNFWVLT-LBPRGKRZSA-N 1 2 281.308 0.775 20 10 CCCDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000770352940 581739185 /nfs/dbraw/zinc/73/91/85/581739185.db2.gz QEIAXVHBBQQEKP-MWLCHTKSSA-N 1 2 281.308 0.703 20 10 CCCDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000770352940 581739188 /nfs/dbraw/zinc/73/91/88/581739188.db2.gz QEIAXVHBBQQEKP-MWLCHTKSSA-N 1 2 281.308 0.703 20 10 CCCDLO C[NH+]1CCN(CC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890760422 616239835 /nfs/dbraw/zinc/23/98/35/616239835.db2.gz RKIBMTFNIPGGKX-UHFFFAOYSA-N 1 2 297.786 0.909 20 10 CCCDLO O=C(/C=C/C[NH+]1CCOCC1)NCc1ccc(O)cc1O ZINC000910943570 635862710 /nfs/dbraw/zinc/86/27/10/635862710.db2.gz DWISBPNQDIKGOT-OWOJBTEDSA-N 1 2 292.335 0.602 20 10 CCCDLO NC(=O)[C@H]1CCC2(C[NH+](Cc3ccccc3O)C2)O1 ZINC001277442183 805580609 /nfs/dbraw/zinc/58/06/09/805580609.db2.gz SKWHFFXDINIUEH-GFCCVEGCSA-N 1 2 262.309 0.611 20 10 CCCDLO NC(=O)[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCO1 ZINC001140466102 799909440 /nfs/dbraw/zinc/90/94/40/799909440.db2.gz XDAJKGGOFYMADV-LLVKDONJSA-N 1 2 270.716 0.732 20 10 CCCDLO NC(=O)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCO1 ZINC001140466102 799909446 /nfs/dbraw/zinc/90/94/46/799909446.db2.gz XDAJKGGOFYMADV-LLVKDONJSA-N 1 2 270.716 0.732 20 10 CCCDLO COc1ccc(C[N@@H+]2CC(=O)NC[C@H]2C)c(O)c1 ZINC001203629039 844468982 /nfs/dbraw/zinc/46/89/82/844468982.db2.gz PHPDIOUGGQPYOU-SECBINFHSA-N 1 2 250.298 0.721 20 10 CCCDLO COc1ccc(C[N@H+]2CC(=O)NC[C@H]2C)c(O)c1 ZINC001203629039 844468985 /nfs/dbraw/zinc/46/89/85/844468985.db2.gz PHPDIOUGGQPYOU-SECBINFHSA-N 1 2 250.298 0.721 20 10 CCCDLO C[C@H](C(=O)NCC(=O)c1ccc(O)c(O)c1)n1cc[nH+]c1 ZINC001177926893 842707498 /nfs/dbraw/zinc/70/74/98/842707498.db2.gz LWAUFVONXBIRIL-SECBINFHSA-N 1 2 289.291 0.854 20 10 CCCDLO CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(N)cc2)CCO1 ZINC001120371315 857048016 /nfs/dbraw/zinc/04/80/16/857048016.db2.gz VKVPSBVWFWETHG-AWEZNQCLSA-N 1 2 263.341 0.606 20 10 CCCDLO CC(=O)NC[C@H]1C[N@H+](Cc2ccc(N)cc2)CCO1 ZINC001120371315 857048006 /nfs/dbraw/zinc/04/80/06/857048006.db2.gz VKVPSBVWFWETHG-AWEZNQCLSA-N 1 2 263.341 0.606 20 10 CCCDLO C[C@H]1C[N@H+](Cc2ccc(N)cc2)CCN1S(C)(=O)=O ZINC001334753193 919743620 /nfs/dbraw/zinc/74/36/20/919743620.db2.gz BCCJGALFANZRHS-NSHDSACASA-N 1 2 283.397 0.735 20 10 CCCDLO C[C@H]1C[N@@H+](Cc2ccc(N)cc2)CCN1S(C)(=O)=O ZINC001334753193 919743630 /nfs/dbraw/zinc/74/36/30/919743630.db2.gz BCCJGALFANZRHS-NSHDSACASA-N 1 2 283.397 0.735 20 10 CCCDLO Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c(O)c1O ZINC000177672377 389589577 /nfs/dbraw/zinc/58/95/77/389589577.db2.gz AHHHEJMXOPGLHV-NSHDSACASA-N 1 2 294.351 0.857 20 10 CCCDLO O=C(/C=C/c1ccc(O)c(O)c1)NCC[NH+]1CCOCC1 ZINC000058468560 527614091 /nfs/dbraw/zinc/61/40/91/527614091.db2.gz GVVRDVDTHZYTOF-DUXPYHPUSA-N 1 2 292.335 0.559 20 10 CCCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H]3C[C@@H]31)[C@H](O)CO2 ZINC000793621514 581305197 /nfs/dbraw/zinc/30/51/97/581305197.db2.gz ZBKMUDGDBLQMPQ-ZKYQVNSYSA-N 1 2 263.293 0.791 20 10 CCCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H]3C[C@@H]31)[C@H](O)CO2 ZINC000793621514 581305198 /nfs/dbraw/zinc/30/51/98/581305198.db2.gz ZBKMUDGDBLQMPQ-ZKYQVNSYSA-N 1 2 263.293 0.791 20 10 CCCDLO CN(C)c1[nH+]cc(C=C2SC(=S)NC2=O)n1C ZINC000821022067 616035307 /nfs/dbraw/zinc/03/53/07/616035307.db2.gz NQUSOLHJCSGXGF-QPJJXVBHSA-N 1 2 268.367 0.975 20 10 CCCDLO C[N@@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@H](CO)C1 ZINC000877644987 616245301 /nfs/dbraw/zinc/24/53/01/616245301.db2.gz XHGLSACPGFYXSZ-JTQLQIEISA-N 1 2 272.295 0.779 20 10 CCCDLO C[N@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@H](CO)C1 ZINC000877644987 616245302 /nfs/dbraw/zinc/24/53/02/616245302.db2.gz XHGLSACPGFYXSZ-JTQLQIEISA-N 1 2 272.295 0.779 20 10 CCCDLO C[C@H](O)C[N@@H+]1CCN(C(=O)C2=CC(=O)CS2)[C@@H](C)C1 ZINC000832490612 642487705 /nfs/dbraw/zinc/48/77/05/642487705.db2.gz OESPASYEFIWYNF-UWVGGRQHSA-N 1 2 284.381 0.981 20 10 CCCDLO C[C@H](O)C[N@H+]1CCN(C(=O)C2=CC(=O)CS2)[C@@H](C)C1 ZINC000832490612 642487709 /nfs/dbraw/zinc/48/77/09/642487709.db2.gz OESPASYEFIWYNF-UWVGGRQHSA-N 1 2 284.381 0.981 20 10 CCCDLO C[C@H](C(=O)N(C)Cc1ccccc1O)N1CC[NH2+]CC1=O ZINC000876604383 646631152 /nfs/dbraw/zinc/63/11/52/646631152.db2.gz ADDCDWWYWRBXCE-LLVKDONJSA-N 1 2 291.351 0.171 20 10 CCCDLO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233014091 806006090 /nfs/dbraw/zinc/00/60/90/806006090.db2.gz YNSIOMDHQWBISG-NSHDSACASA-N 1 2 280.324 0.904 20 10 CCCDLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233014091 806006097 /nfs/dbraw/zinc/00/60/97/806006097.db2.gz YNSIOMDHQWBISG-NSHDSACASA-N 1 2 280.324 0.904 20 10 CCCDLO OC[C@@H]1C[N@H+](Cc2c(O)ccc(F)c2F)CC[C@@H]1O ZINC001233332617 806043451 /nfs/dbraw/zinc/04/34/51/806043451.db2.gz RJBIQTDEFMQAOZ-KWQFWETISA-N 1 2 273.279 0.846 20 10 CCCDLO OC[C@@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)CC[C@@H]1O ZINC001233332617 806043457 /nfs/dbraw/zinc/04/34/57/806043457.db2.gz RJBIQTDEFMQAOZ-KWQFWETISA-N 1 2 273.279 0.846 20 10 CCCDLO CO[C@@H]1C[N@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1F ZINC001233482961 806059452 /nfs/dbraw/zinc/05/94/52/806059452.db2.gz IWECVNJQJQNUBG-QPUJVOFHSA-N 1 2 257.261 0.972 20 10 CCCDLO CO[C@@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)C[C@@H]1F ZINC001233482961 806059456 /nfs/dbraw/zinc/05/94/56/806059456.db2.gz IWECVNJQJQNUBG-QPUJVOFHSA-N 1 2 257.261 0.972 20 10 CCCDLO Oc1c(F)ccc(F)c1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235055212 806357814 /nfs/dbraw/zinc/35/78/14/806357814.db2.gz SQPKWQGWEKOOBD-AWEZNQCLSA-N 1 2 283.322 0.808 20 10 CCCDLO OC[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2O)C[C@@H]1O ZINC001237934731 806736450 /nfs/dbraw/zinc/73/64/50/806736450.db2.gz NJOKMOVUMGAEMZ-UFBFGSQYSA-N 1 2 275.707 0.970 20 10 CCCDLO OC[C@@H]1C[N@@H+](Cc2cc(F)c(Cl)cc2O)C[C@@H]1O ZINC001237934731 806736455 /nfs/dbraw/zinc/73/64/55/806736455.db2.gz NJOKMOVUMGAEMZ-UFBFGSQYSA-N 1 2 275.707 0.970 20 10 CCCDLO C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(O)cc1O ZINC001204279948 803076014 /nfs/dbraw/zinc/07/60/14/803076014.db2.gz GBKJXJMGSKMVHD-VIFPVBQESA-N 1 2 250.298 0.760 20 10 CCCDLO C[C@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(O)cc1O ZINC001204279948 803076020 /nfs/dbraw/zinc/07/60/20/803076020.db2.gz GBKJXJMGSKMVHD-VIFPVBQESA-N 1 2 250.298 0.760 20 10 CCCDLO [NH3+][C@@H]1CCN(Cc2ccc(F)c(F)c2O)C[C@H]1O ZINC001205966865 803192896 /nfs/dbraw/zinc/19/28/96/803192896.db2.gz BYVCUFGDHCWWRL-NXEZZACHSA-N 1 2 258.268 0.564 20 10 CCCDLO [NH3+][C@@H]1CN(Cc2c(F)ccc(F)c2O)CC[C@H]1O ZINC001206092747 803205653 /nfs/dbraw/zinc/20/56/53/803205653.db2.gz WSBTYQBIZQDCRZ-GHMZBOCLSA-N 1 2 258.268 0.564 20 10 CCCDLO COC(=O)[C@@H]([NH3+])CC(=O)NCc1c(C)cc(C)cc1O ZINC001220825316 804673889 /nfs/dbraw/zinc/67/38/89/804673889.db2.gz BXRWSVCCCNJZRO-NSHDSACASA-N 1 2 280.324 0.516 20 10 CCCDLO NC(=O)[C@H]1CCC2(C[NH+](Cc3ccc(O)cc3O)C2)O1 ZINC001277192763 805335172 /nfs/dbraw/zinc/33/51/72/805335172.db2.gz SMHXUVUDSYSZNR-GFCCVEGCSA-N 1 2 278.308 0.317 20 10 CCCDLO C[NH+]1CC(NC(=O)CCc2ccc(O)c(O)c2)C1 ZINC001182155043 843737642 /nfs/dbraw/zinc/73/76/42/843737642.db2.gz AVQBPKKXPVMQAM-UHFFFAOYSA-N 1 2 250.298 0.461 20 10 CCCDLO COc1cc(C(=O)NCCc2cn(C)c[nH+]2)cc(O)c1O ZINC001193114084 845982690 /nfs/dbraw/zinc/98/26/90/845982690.db2.gz KSBNTRYTFZXGFM-UHFFFAOYSA-N 1 2 291.307 0.812 20 10 CCCDLO Cc1c(O)ccc(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c1O ZINC001276118305 848929539 /nfs/dbraw/zinc/92/95/39/848929539.db2.gz WJNZXBOOVCWFOK-BETUJISGSA-N 1 2 278.352 0.921 20 10 CCCDLO Cc1c(O)ccc(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c1O ZINC001276118305 848929543 /nfs/dbraw/zinc/92/95/43/848929543.db2.gz WJNZXBOOVCWFOK-BETUJISGSA-N 1 2 278.352 0.921 20 10 CCCDLO CN(CC[NH+]1CCOCC1)C(=O)NCc1ccc(N)cc1 ZINC001335729700 920400388 /nfs/dbraw/zinc/40/03/88/920400388.db2.gz GGWPKESBIXKAGS-UHFFFAOYSA-N 1 2 292.383 0.742 20 10 CCCDLO C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(C(=O)[O-])ccc1O ZINC001593245818 994440501 /nfs/dbraw/zinc/44/05/01/994440501.db2.gz CQKRDSXTJFELEM-GXSJLCMTSA-N 1 2 282.340 0.664 20 10 CCCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@H](O)C2)c1O ZINC000295600864 353906423 /nfs/dbraw/zinc/90/64/23/353906423.db2.gz NBQUCHKRTQIAMR-GFCCVEGCSA-N 1 2 283.299 0.927 20 10 CCCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC[C@H](O)C2)c1O ZINC000295600864 353906426 /nfs/dbraw/zinc/90/64/26/353906426.db2.gz NBQUCHKRTQIAMR-GFCCVEGCSA-N 1 2 283.299 0.927 20 10 CCCDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295308725 389001200 /nfs/dbraw/zinc/00/12/00/389001200.db2.gz KSWLOHKJUOXLQF-SECBINFHSA-N 1 2 298.314 0.376 20 10 CCCDLO C[C@H]([NH2+]CCOCCO)c1cc([N+](=O)[O-])ccc1O ZINC000273362789 389475677 /nfs/dbraw/zinc/47/56/77/389475677.db2.gz DJERSGKMTWLPII-VIFPVBQESA-N 1 2 270.285 0.960 20 10 CCCDLO CS(=O)(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179892691 389663923 /nfs/dbraw/zinc/66/39/23/389663923.db2.gz XYPPSINVTLPQBO-UHFFFAOYSA-N 1 2 288.344 0.609 20 10 CCCDLO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000193612823 290600337 /nfs/dbraw/zinc/60/03/37/290600337.db2.gz WSLAGHFRQUHVPF-UFBFGSQYSA-N 1 2 279.296 0.915 20 10 CCCDLO COC[C@](C)(CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000777483004 581116764 /nfs/dbraw/zinc/11/67/64/581116764.db2.gz ARCIUTGAAQNHJX-LBPRGKRZSA-N 1 2 270.285 0.787 20 10 CCCDLO O=C(CO)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000793595926 581303990 /nfs/dbraw/zinc/30/39/90/581303990.db2.gz XAMZZDAWGGSPKF-UHFFFAOYSA-N 1 2 284.743 0.682 20 10 CCCDLO COc1cccc(O)c1C[NH+]1CCN(C(=O)CO)CC1 ZINC000793591345 581304149 /nfs/dbraw/zinc/30/41/49/581304149.db2.gz GYWPPGSNPUBTSY-UHFFFAOYSA-N 1 2 280.324 0.037 20 10 CCCDLO CC[C@H](CO)[NH+]1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000765260925 581507522 /nfs/dbraw/zinc/50/75/22/581507522.db2.gz HUWFTZIFQWVOKN-SNVBAGLBSA-N 1 2 284.381 0.982 20 10 CCCDLO Oc1ccccc1CNC(=S)NCC[NH+]1CCOCC1 ZINC000748160082 581964339 /nfs/dbraw/zinc/96/43/39/581964339.db2.gz ZCPCXNYXOZZEEV-UHFFFAOYSA-N 1 2 295.408 0.689 20 10 CCCDLO COc1ccc(C[N@@H+]2C[C@H](CO)OC[C@@H]2C)c(O)c1OC ZINC000892228198 617252003 /nfs/dbraw/zinc/25/20/03/617252003.db2.gz MTLCRQXKOLVWGQ-CMPLNLGQSA-N 1 2 297.351 0.991 20 10 CCCDLO COc1ccc(C[N@H+]2C[C@H](CO)OC[C@@H]2C)c(O)c1OC ZINC000892228198 617252004 /nfs/dbraw/zinc/25/20/04/617252004.db2.gz MTLCRQXKOLVWGQ-CMPLNLGQSA-N 1 2 297.351 0.991 20 10 CCCDLO COc1cccc(C[NH+]2CC(OCC(=O)N(C)C)C2)c1O ZINC000839137753 617297051 /nfs/dbraw/zinc/29/70/51/617297051.db2.gz IDFSTISOCSGULR-UHFFFAOYSA-N 1 2 294.351 0.690 20 10 CCCDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](O)COC ZINC000823575959 615191317 /nfs/dbraw/zinc/19/13/17/615191317.db2.gz FRWCCQYVJYJYJL-CYBMUJFWSA-N 1 2 297.351 0.765 20 10 CCCDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](O)COC ZINC000823575959 615191318 /nfs/dbraw/zinc/19/13/18/615191318.db2.gz FRWCCQYVJYJYJL-CYBMUJFWSA-N 1 2 297.351 0.765 20 10 CCCDLO COC(=O)C1(O)C[NH+](Cc2cccc(C)c2O)C1 ZINC000877769025 616385241 /nfs/dbraw/zinc/38/52/41/616385241.db2.gz PXSPRHOCUPVLOY-UHFFFAOYSA-N 1 2 251.282 0.420 20 10 CCCDLO COC(=O)Cn1cc(C[NH2+]Cc2c(O)cccc2F)nn1 ZINC000896638000 616736104 /nfs/dbraw/zinc/73/61/04/616736104.db2.gz MYNXEOAOUMJVSI-UHFFFAOYSA-N 1 2 294.286 0.586 20 10 CCCDLO Nc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)c[nH+]1 ZINC000899344791 633806631 /nfs/dbraw/zinc/80/66/31/633806631.db2.gz YDTFRLXTNCBFHR-JXMROGBWSA-N 1 2 290.348 0.966 20 10 CCCDLO C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817982802 641286936 /nfs/dbraw/zinc/28/69/36/641286936.db2.gz HMVVDULEICFJQT-KOLCDFICSA-N 1 2 281.312 0.939 20 10 CCCDLO Oc1cc(O)c(C[NH+]2CC(N3CCOCC3)C2)cc1O ZINC001233485050 806062337 /nfs/dbraw/zinc/06/23/37/806062337.db2.gz HADODSUZNAKVQO-UHFFFAOYSA-N 1 2 280.324 0.320 20 10 CCCDLO CNC(=O)N1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233486994 806062453 /nfs/dbraw/zinc/06/24/53/806062453.db2.gz KXPQMERQUVKDPC-UHFFFAOYSA-N 1 2 281.312 0.260 20 10 CCCDLO COc1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(O)c1Cl ZINC001236802095 806610384 /nfs/dbraw/zinc/61/03/84/806610384.db2.gz OJGWGCRABAANGG-NXEZZACHSA-N 1 2 287.743 0.839 20 10 CCCDLO COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(O)c1Cl ZINC001236802095 806610389 /nfs/dbraw/zinc/61/03/89/806610389.db2.gz OJGWGCRABAANGG-NXEZZACHSA-N 1 2 287.743 0.839 20 10 CCCDLO NC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464884 799910153 /nfs/dbraw/zinc/91/01/53/799910153.db2.gz FALXHNCRBCXUPW-UHFFFAOYSA-N 1 2 283.759 0.649 20 10 CCCDLO COc1ccc(N2CC3(C2)C[NH+](CC(=O)N(C)C)C3)cc1 ZINC001276924281 804993819 /nfs/dbraw/zinc/99/38/19/804993819.db2.gz HBMPJBGVVCXMRW-UHFFFAOYSA-N 1 2 289.379 0.905 20 10 CCCDLO COC(=O)[C@H]1CN(Cc2ccc(F)c(F)c2O)C[C@H]1[NH3+] ZINC001236360689 817285580 /nfs/dbraw/zinc/28/55/80/817285580.db2.gz WSISIHDYBKMKCR-WCBMZHEXSA-N 1 2 286.278 0.603 20 10 CCCDLO Cc1cc(F)cc(C[N@@H+]2CCO[C@H](C(N)=O)C2)c1O ZINC001238071484 817644655 /nfs/dbraw/zinc/64/46/55/817644655.db2.gz YJBGPVLTOQSGQJ-NSHDSACASA-N 1 2 268.288 0.526 20 10 CCCDLO Cc1cc(F)cc(C[N@H+]2CCO[C@H](C(N)=O)C2)c1O ZINC001238071484 817644662 /nfs/dbraw/zinc/64/46/62/817644662.db2.gz YJBGPVLTOQSGQJ-NSHDSACASA-N 1 2 268.288 0.526 20 10 CCCDLO C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2O)C[C@H]1[NH3+] ZINC001206064982 837990689 /nfs/dbraw/zinc/99/06/89/837990689.db2.gz HJHPBDLMWJBTSH-LDYMZIIASA-N 1 2 250.298 0.869 20 10 CCCDLO C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C[C@H]1[NH3+] ZINC001206064982 837990692 /nfs/dbraw/zinc/99/06/92/837990692.db2.gz HJHPBDLMWJBTSH-LDYMZIIASA-N 1 2 250.298 0.869 20 10 CCCDLO COCCn1c[nH+]cc1CNC(=O)c1cccc(O)c1O ZINC001148219926 840766705 /nfs/dbraw/zinc/76/67/05/840766705.db2.gz GKLDGLSRCOUJLT-UHFFFAOYSA-N 1 2 291.307 0.871 20 10 CCCDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(N)cc1 ZINC001338447746 921468555 /nfs/dbraw/zinc/46/85/55/921468555.db2.gz OZWNNVWKJAXULP-LBPRGKRZSA-N 1 2 292.383 0.789 20 10 CCCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@@H](O)C2)c1O ZINC000295600867 353906463 /nfs/dbraw/zinc/90/64/63/353906463.db2.gz NBQUCHKRTQIAMR-LBPRGKRZSA-N 1 2 283.299 0.927 20 10 CCCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC[C@@H](O)C2)c1O ZINC000295600867 353906465 /nfs/dbraw/zinc/90/64/65/353906465.db2.gz NBQUCHKRTQIAMR-LBPRGKRZSA-N 1 2 283.299 0.927 20 10 CCCDLO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000370399488 267316857 /nfs/dbraw/zinc/31/68/57/267316857.db2.gz UTDGTWWPCKGIQF-VHSXEESVSA-N 1 2 257.717 0.973 20 10 CCCDLO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000370399488 267316859 /nfs/dbraw/zinc/31/68/59/267316859.db2.gz UTDGTWWPCKGIQF-VHSXEESVSA-N 1 2 257.717 0.973 20 10 CCCDLO COCC[N@H+](Cc1cccc(F)c1O)[C@@H](C)C(N)=O ZINC000272277452 328199235 /nfs/dbraw/zinc/19/92/35/328199235.db2.gz MFUHFCPRRAUKCN-VIFPVBQESA-N 1 2 270.304 0.854 20 10 CCCDLO COCC[N@@H+](Cc1cccc(F)c1O)[C@@H](C)C(N)=O ZINC000272277452 328199236 /nfs/dbraw/zinc/19/92/36/328199236.db2.gz MFUHFCPRRAUKCN-VIFPVBQESA-N 1 2 270.304 0.854 20 10 CCCDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(O)c1O ZINC000279265821 524349657 /nfs/dbraw/zinc/34/96/57/524349657.db2.gz IXPNOIUNGOERGA-LLVKDONJSA-N 1 2 294.351 0.891 20 10 CCCDLO CNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000784055710 581165476 /nfs/dbraw/zinc/16/54/76/581165476.db2.gz KAGROZVEYUJSDN-ZETCQYMHSA-N 1 2 294.323 0.870 20 10 CCCDLO O=C(Cn1cc[nH+]c1)NCCc1ccc(O)c(O)c1 ZINC000768899322 581661978 /nfs/dbraw/zinc/66/19/78/581661978.db2.gz IIJMCWZXQMSAOX-UHFFFAOYSA-N 1 2 261.281 0.653 20 10 CCCDLO O=C1NC(=O)N2CC[N@@H+](Cc3cc(F)ccc3O)C[C@H]12 ZINC000761216696 581897338 /nfs/dbraw/zinc/89/73/38/581897338.db2.gz NVALCHHUTWNVLY-SNVBAGLBSA-N 1 2 279.271 0.267 20 10 CCCDLO O=C1NC(=O)N2CC[N@H+](Cc3cc(F)ccc3O)C[C@H]12 ZINC000761216696 581897341 /nfs/dbraw/zinc/89/73/41/581897341.db2.gz NVALCHHUTWNVLY-SNVBAGLBSA-N 1 2 279.271 0.267 20 10 CCCDLO COc1cc(O)c(C[N@@H+]2C[C@H](CO)OC[C@H]2C)cc1OC ZINC000775739894 582035644 /nfs/dbraw/zinc/03/56/44/582035644.db2.gz HOOGFULOUSQKTB-ZYHUDNBSSA-N 1 2 297.351 0.991 20 10 CCCDLO COc1cc(O)c(C[N@H+]2C[C@H](CO)OC[C@H]2C)cc1OC ZINC000775739894 582035646 /nfs/dbraw/zinc/03/56/46/582035646.db2.gz HOOGFULOUSQKTB-ZYHUDNBSSA-N 1 2 297.351 0.991 20 10 CCCDLO COC1C[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768449502 582106763 /nfs/dbraw/zinc/10/67/63/582106763.db2.gz ZTAWPVYYZXWTET-LBPRGKRZSA-N 1 2 251.282 0.649 20 10 CCCDLO C[N@@H+]1CCO[C@@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890759588 616252643 /nfs/dbraw/zinc/25/26/43/616252643.db2.gz DAPHCVQTMYSDED-LLVKDONJSA-N 1 2 284.743 0.992 20 10 CCCDLO C[N@H+]1CCO[C@@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890759588 616252644 /nfs/dbraw/zinc/25/26/44/616252644.db2.gz DAPHCVQTMYSDED-LLVKDONJSA-N 1 2 284.743 0.992 20 10 CCCDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C)cc1O ZINC000876531832 616653103 /nfs/dbraw/zinc/65/31/03/616653103.db2.gz QNDKOBAKQYDOOW-GFCCVEGCSA-N 1 2 292.335 0.564 20 10 CCCDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876531832 616653106 /nfs/dbraw/zinc/65/31/06/616653106.db2.gz QNDKOBAKQYDOOW-GFCCVEGCSA-N 1 2 292.335 0.564 20 10 CCCDLO OCCC[N@H+](CCO)Cc1ccc(F)c(F)c1O ZINC000876723791 646649578 /nfs/dbraw/zinc/64/95/78/646649578.db2.gz HOIXHJQTYVAVOS-UHFFFAOYSA-N 1 2 261.268 0.847 20 10 CCCDLO OCCC[N@@H+](CCO)Cc1ccc(F)c(F)c1O ZINC000876723791 646649587 /nfs/dbraw/zinc/64/95/87/646649587.db2.gz HOIXHJQTYVAVOS-UHFFFAOYSA-N 1 2 261.268 0.847 20 10 CCCDLO COc1cc(C[N@H+]2CC(=O)N3CCC[C@H]3C2)c(O)cc1O ZINC001231638299 805824044 /nfs/dbraw/zinc/82/40/44/805824044.db2.gz XFRPNBIYZJAANN-NSHDSACASA-N 1 2 292.335 0.913 20 10 CCCDLO COc1cc(C[N@@H+]2CC(=O)N3CCC[C@H]3C2)c(O)cc1O ZINC001231638299 805824052 /nfs/dbraw/zinc/82/40/52/805824052.db2.gz XFRPNBIYZJAANN-NSHDSACASA-N 1 2 292.335 0.913 20 10 CCCDLO COc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3=O)c(O)cc1O ZINC001231639798 805824702 /nfs/dbraw/zinc/82/47/02/805824702.db2.gz KXQKWPWQFWTBEA-PHIMTYICSA-N 1 2 293.319 0.754 20 10 CCCDLO COc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)C3=O)c(O)cc1O ZINC001231639798 805824711 /nfs/dbraw/zinc/82/47/11/805824711.db2.gz 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DCQFRUQPVKPDRN-UHFFFAOYSA-N 1 2 280.324 0.730 20 10 CCCDLO CC(=O)c1cc(F)cc(C[N@H+](C)CC(N)=O)c1O ZINC000050133597 518285410 /nfs/dbraw/zinc/28/54/10/518285410.db2.gz IBODNBMIRIYYGP-UHFFFAOYSA-N 1 2 254.261 0.651 20 10 CCCDLO CC(=O)c1cc(F)cc(C[N@@H+](C)CC(N)=O)c1O ZINC000050133597 518285413 /nfs/dbraw/zinc/28/54/13/518285413.db2.gz IBODNBMIRIYYGP-UHFFFAOYSA-N 1 2 254.261 0.651 20 10 CCCDLO COC(=O)C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000264890693 523147207 /nfs/dbraw/zinc/14/72/07/523147207.db2.gz WFUZSJZBSRKPQL-UHFFFAOYSA-N 1 2 253.254 0.726 20 10 CCCDLO COC(=O)C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000264890693 523147212 /nfs/dbraw/zinc/14/72/12/523147212.db2.gz WFUZSJZBSRKPQL-UHFFFAOYSA-N 1 2 253.254 0.726 20 10 CCCDLO CN1CC[N@H+](Cc2cc3c(cc2O)OCO3)CC1=O ZINC000127399538 523909052 /nfs/dbraw/zinc/90/90/52/523909052.db2.gz PRNODTJXFXROFG-UHFFFAOYSA-N 1 2 264.281 0.395 20 10 CCCDLO CN1CC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1=O ZINC000127399538 523909059 /nfs/dbraw/zinc/90/90/59/523909059.db2.gz 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/nfs/dbraw/zinc/19/40/25/581194025.db2.gz PGRWNBGFPGHALV-UHFFFAOYSA-N 1 2 294.351 0.691 20 10 CCCDLO C[C@H]1C[N@H+](CCNC(=O)NCc2ccccc2O)CCO1 ZINC000726255172 581233917 /nfs/dbraw/zinc/23/39/17/581233917.db2.gz IBRGNAWSZRNNHN-LBPRGKRZSA-N 1 2 293.367 0.912 20 10 CCCDLO C[C@H]1C[N@@H+](CCNC(=O)NCc2ccccc2O)CCO1 ZINC000726255172 581233918 /nfs/dbraw/zinc/23/39/18/581233918.db2.gz IBRGNAWSZRNNHN-LBPRGKRZSA-N 1 2 293.367 0.912 20 10 CCCDLO NS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000785985200 581426267 /nfs/dbraw/zinc/42/62/67/581426267.db2.gz MISNLUXIISROOC-VIFPVBQESA-N 1 2 290.772 0.908 20 10 CCCDLO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000785985200 581426268 /nfs/dbraw/zinc/42/62/68/581426268.db2.gz MISNLUXIISROOC-VIFPVBQESA-N 1 2 290.772 0.908 20 10 CCCDLO C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756556844 581671379 /nfs/dbraw/zinc/67/13/79/581671379.db2.gz QSXUBYDSHHMSMG-ONGXEEELSA-N 1 2 283.328 0.874 20 10 CCCDLO 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272.295 0.779 20 10 CCCDLO C[N@H+]1CCN(Cc2cc(F)cc(F)c2O)[C@H](CO)C1 ZINC000895358823 616244898 /nfs/dbraw/zinc/24/48/98/616244898.db2.gz DDHWKPPNGGPXBY-NSHDSACASA-N 1 2 272.295 0.779 20 10 CCCDLO C[N@@H+]1CCOC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000862972290 616249859 /nfs/dbraw/zinc/24/98/59/616249859.db2.gz ZLYJLIYIYHACBS-OGOUPESXSA-N 1 2 292.335 0.558 20 10 CCCDLO C[N@H+]1CCOC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000862972290 616249860 /nfs/dbraw/zinc/24/98/60/616249860.db2.gz ZLYJLIYIYHACBS-OGOUPESXSA-N 1 2 292.335 0.558 20 10 CCCDLO C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000091662131 622894878 /nfs/dbraw/zinc/89/48/78/622894878.db2.gz HYWFDNCSEJWHHU-ZDUSSCGKSA-N 1 2 263.341 0.258 20 10 CCCDLO C[N@H+]1CCO[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000091662131 622894880 /nfs/dbraw/zinc/89/48/80/622894880.db2.gz HYWFDNCSEJWHHU-ZDUSSCGKSA-N 1 2 263.341 0.258 20 10 CCCDLO Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)c(O)c1O ZINC000912741149 636664898 /nfs/dbraw/zinc/66/48/98/636664898.db2.gz MQLJGGOIHKHGPQ-JTQLQIEISA-N 1 2 280.324 0.155 20 10 CCCDLO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)c(O)c1O ZINC000912741149 636664902 /nfs/dbraw/zinc/66/49/02/636664902.db2.gz MQLJGGOIHKHGPQ-JTQLQIEISA-N 1 2 280.324 0.155 20 10 CCCDLO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC(=O)N1C ZINC000799954917 640602549 /nfs/dbraw/zinc/60/25/49/640602549.db2.gz AHOCQBUMFRBERU-TVQRCGJNSA-N 1 2 292.335 0.481 20 10 CCCDLO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC(=O)N1C ZINC000799954917 640602552 /nfs/dbraw/zinc/60/25/52/640602552.db2.gz AHOCQBUMFRBERU-TVQRCGJNSA-N 1 2 292.335 0.481 20 10 CCCDLO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC000824893430 641851179 /nfs/dbraw/zinc/85/11/79/641851179.db2.gz RRXSESJNLIWNOK-DTORHVGOSA-N 1 2 280.711 0.750 20 10 CCCDLO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC000824893430 641851183 /nfs/dbraw/zinc/85/11/83/641851183.db2.gz RRXSESJNLIWNOK-DTORHVGOSA-N 1 2 280.711 0.750 20 10 CCCDLO Cn1ccc(-c2cnn(CC[NH+]3CCOCC3)c2)cc1=O ZINC001240541806 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ZINC001193080831 845973515 /nfs/dbraw/zinc/97/35/15/845973515.db2.gz FCTLINSVJIBCIE-UHFFFAOYSA-N 1 2 266.297 0.494 20 10 CCCDLO CS(=O)(=O)NCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001200135845 847558120 /nfs/dbraw/zinc/55/81/20/847558120.db2.gz SEEABOKTEZDIBM-UHFFFAOYSA-N 1 2 296.751 0.824 20 10 CCCDLO CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C(=O)OC)c(O)c1 ZINC001338861490 921592354 /nfs/dbraw/zinc/59/23/54/921592354.db2.gz NHWGPUOJBWESJW-DGCLKSJQSA-N 1 2 295.335 0.899 20 10 CCCDLO CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C(=O)OC)c(O)c1 ZINC001338861490 921592365 /nfs/dbraw/zinc/59/23/65/921592365.db2.gz NHWGPUOJBWESJW-DGCLKSJQSA-N 1 2 295.335 0.899 20 10 CCCDLO Oc1cc(F)c(Cl)cc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000294672754 199127466 /nfs/dbraw/zinc/12/74/66/199127466.db2.gz MHRQZHNXLRHZRP-GHMZBOCLSA-N 1 2 261.680 0.722 20 10 CCCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)ccc1O ZINC000188611377 388934082 /nfs/dbraw/zinc/93/40/82/388934082.db2.gz HZWJSEMRARRVPL-WDEREUQCSA-N 1 2 269.272 0.640 20 10 CCCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1cc(F)ccc1O ZINC000188611377 388934084 /nfs/dbraw/zinc/93/40/84/388934084.db2.gz HZWJSEMRARRVPL-WDEREUQCSA-N 1 2 269.272 0.640 20 10 CCCDLO OCCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000183243825 518203315 /nfs/dbraw/zinc/20/33/15/518203315.db2.gz QHVJNXVLCOJFNP-UHFFFAOYSA-N 1 2 254.305 0.641 20 10 CCCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]C[C@H]2COCCO2)c1 ZINC000725846781 581150134 /nfs/dbraw/zinc/15/01/34/581150134.db2.gz MUFVWBSIYITMDW-NSHDSACASA-N 1 2 268.269 0.805 20 10 CCCDLO C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H]1C[N@H+](C)CCO1 ZINC000790898468 581202041 /nfs/dbraw/zinc/20/20/41/581202041.db2.gz XBEAVWDIDBPUSA-SKDRFNHKSA-N 1 2 280.324 0.547 20 10 CCCDLO C[C@@H](NC(=O)c1cccc(O)c1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000790898468 581202042 /nfs/dbraw/zinc/20/20/42/581202042.db2.gz XBEAVWDIDBPUSA-SKDRFNHKSA-N 1 2 280.324 0.547 20 10 CCCDLO CN1CCN(C(=O)C2=CC(=O)CS2)CC[N@H+](C)CC1 ZINC000888983849 616236159 /nfs/dbraw/zinc/23/61/59/616236159.db2.gz SBRFJPKCTRMHSC-UHFFFAOYSA-N 1 2 283.397 0.773 20 10 CCCDLO CN1CCN(C(=O)C2=CC(=O)CS2)CC[N@@H+](C)CC1 ZINC000888983849 616236160 /nfs/dbraw/zinc/23/61/60/616236160.db2.gz SBRFJPKCTRMHSC-UHFFFAOYSA-N 1 2 283.397 0.773 20 10 CCCDLO C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(F)c(F)c1O ZINC000895325138 632055053 /nfs/dbraw/zinc/05/50/53/632055053.db2.gz OHIILADZODZBDI-NOZJJQNGSA-N 1 2 273.279 0.988 20 10 CCCDLO CC(=O)N1CC[N@H+](Cc2cc(O)c(O)cc2O)[C@@H](C)C1 ZINC001233486480 806062746 /nfs/dbraw/zinc/06/27/46/806062746.db2.gz OEACJQVPOTZVBK-VIFPVBQESA-N 1 2 280.324 0.856 20 10 CCCDLO CC(=O)N1CC[N@@H+](Cc2cc(O)c(O)cc2O)[C@@H](C)C1 ZINC001233486480 806062755 /nfs/dbraw/zinc/06/27/55/806062755.db2.gz OEACJQVPOTZVBK-VIFPVBQESA-N 1 2 280.324 0.856 20 10 CCCDLO COc1ccc(C[NH+]2CC(C(N)=O)C2)c(O)c1Cl ZINC001236812441 806612835 /nfs/dbraw/zinc/61/28/35/806612835.db2.gz VVEXMJZBJNWZRC-UHFFFAOYSA-N 1 2 270.716 0.971 20 10 CCCDLO COC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2F)CCN1C ZINC001137839966 799690430 /nfs/dbraw/zinc/69/04/30/799690430.db2.gz NYSZUDSPCDFNSF-GFCCVEGCSA-N 1 2 282.315 0.820 20 10 CCCDLO COC(=O)[C@H]1C[N@@H+](Cc2c(O)cccc2F)CCN1C ZINC001137839966 799690432 /nfs/dbraw/zinc/69/04/32/799690432.db2.gz NYSZUDSPCDFNSF-GFCCVEGCSA-N 1 2 282.315 0.820 20 10 CCCDLO CC[NH+]1CC(NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001030614399 816148445 /nfs/dbraw/zinc/14/84/45/816148445.db2.gz IODFZSDDSFVSOZ-UHFFFAOYSA-N 1 2 265.313 0.533 20 10 CCCDLO COCC[NH+]1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC001148583087 840849294 /nfs/dbraw/zinc/84/92/94/840849294.db2.gz SEXIQEOUHQRYKL-UHFFFAOYSA-N 1 2 296.323 0.208 20 10 CCCDLO CNC(=O)NC[C@H]1C[N@H+](Cc2ccc(N)cc2)CCO1 ZINC001352790592 925642404 /nfs/dbraw/zinc/64/24/04/925642404.db2.gz RVRISLKCRWVCAK-ZDUSSCGKSA-N 1 2 278.356 0.399 20 10 CCCDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(N)cc2)CCO1 ZINC001352790592 925642407 /nfs/dbraw/zinc/64/24/07/925642407.db2.gz RVRISLKCRWVCAK-ZDUSSCGKSA-N 1 2 278.356 0.399 20 10 CCCDLO C[N@@H+]1CCO[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180724195 389674274 /nfs/dbraw/zinc/67/42/74/389674274.db2.gz BTHWJVAZQXDYAD-OGOUPESXSA-N 1 2 292.335 0.558 20 10 CCCDLO C[N@H+]1CCO[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180724195 389674277 /nfs/dbraw/zinc/67/42/77/389674277.db2.gz BTHWJVAZQXDYAD-OGOUPESXSA-N 1 2 292.335 0.558 20 10 CCCDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000376163461 389730290 /nfs/dbraw/zinc/73/02/90/389730290.db2.gz BITGVHZFGBCFFC-SNVBAGLBSA-N 1 2 288.344 0.655 20 10 CCCDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000376163461 389730293 /nfs/dbraw/zinc/73/02/93/389730293.db2.gz BITGVHZFGBCFFC-SNVBAGLBSA-N 1 2 288.344 0.655 20 10 CCCDLO O=C1NC(=O)N2CC[N@@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC000779432387 581185211 /nfs/dbraw/zinc/18/52/11/581185211.db2.gz FDIOSVYAEQHURA-SNVBAGLBSA-N 1 2 295.726 0.782 20 10 CCCDLO O=C1NC(=O)N2CC[N@H+](Cc3cccc(Cl)c3O)C[C@H]12 ZINC000779432387 581185213 /nfs/dbraw/zinc/18/52/13/581185213.db2.gz FDIOSVYAEQHURA-SNVBAGLBSA-N 1 2 295.726 0.782 20 10 CCCDLO COc1c(O)c(C[NH2+]Cc2cnn[nH]2)ccc1[N+](=O)[O-] ZINC000862424673 617149377 /nfs/dbraw/zinc/14/93/77/617149377.db2.gz YGJXXFUOASLDTH-UHFFFAOYSA-N 1 2 279.256 0.717 20 10 CCCDLO COc1ccc(C[NH+]2CC(C)(O)C2)c(O)c1OC ZINC000894831493 631844001 /nfs/dbraw/zinc/84/40/01/631844001.db2.gz YAGBYZSETDSELZ-UHFFFAOYSA-N 1 2 253.298 0.976 20 10 CCCDLO Cc1cc(O)c(C[NH+]2CC3(C2)NC(=O)NC3=O)cc1C ZINC000897906972 633256107 /nfs/dbraw/zinc/25/61/07/633256107.db2.gz HVSMMBYMDVLHTF-UHFFFAOYSA-N 1 2 275.308 0.403 20 10 CCCDLO Cc1cc(O)c(C[NH+]2CCN(CC(N)=O)CC2)cc1Cl ZINC000824542485 641831579 /nfs/dbraw/zinc/83/15/79/641831579.db2.gz TYNDKOFEYLYYHN-UHFFFAOYSA-N 1 2 297.786 0.957 20 10 CCCDLO C[C@@H]1C[N@H+](CCNC(=O)c2cccc(O)c2O)[C@H](C)CO1 ZINC000855413012 644315136 /nfs/dbraw/zinc/31/51/36/644315136.db2.gz YXEPXXVPNLXWAU-GHMZBOCLSA-N 1 2 294.351 0.937 20 10 CCCDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(O)c2O)[C@H](C)CO1 ZINC000855413012 644315141 /nfs/dbraw/zinc/31/51/41/644315141.db2.gz YXEPXXVPNLXWAU-GHMZBOCLSA-N 1 2 294.351 0.937 20 10 CCCDLO OCC[NH+](CCO)Cc1c(O)ccc(Cl)c1F ZINC000862429849 644999642 /nfs/dbraw/zinc/99/96/42/644999642.db2.gz LLAITPQJWDTSAS-UHFFFAOYSA-N 1 2 263.696 0.971 20 10 CCCDLO C[C@@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)c1ccccc1O ZINC000877256428 646770780 /nfs/dbraw/zinc/77/07/80/646770780.db2.gz VOKNCJNDZRADJI-MNOVXSKESA-N 1 2 291.351 0.390 20 10 CCCDLO COc1cc(O)c(C[NH+]2CC(C)(O)C2)cc1OC ZINC000877581097 646825628 /nfs/dbraw/zinc/82/56/28/646825628.db2.gz NKHAHYZNHPVSEC-UHFFFAOYSA-N 1 2 253.298 0.976 20 10 CCCDLO C[N@@H+](Cc1c(O)ccc(F)c1Cl)C[C@@H](O)CO ZINC001237124255 806640879 /nfs/dbraw/zinc/64/08/79/806640879.db2.gz NHTRLWDZGJIKRW-SSDOTTSWSA-N 1 2 263.696 0.970 20 10 CCCDLO C[N@H+](Cc1c(O)ccc(F)c1Cl)C[C@@H](O)CO ZINC001237124255 806640881 /nfs/dbraw/zinc/64/08/81/806640881.db2.gz NHTRLWDZGJIKRW-SSDOTTSWSA-N 1 2 263.696 0.970 20 10 CCCDLO O=C([O-])c1ccc(O)c(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC001204675814 812359508 /nfs/dbraw/zinc/35/95/08/812359508.db2.gz YXTDNBNFELHAMC-UHFFFAOYSA-N 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COCc1n[nH]c(C[NH2+]Cc2cccc(OC)c2O)n1 ZINC001347357357 924430222 /nfs/dbraw/zinc/43/02/22/924430222.db2.gz QSYSHRQXCQUNCA-UHFFFAOYSA-N 1 2 278.312 0.955 20 10 CCCDLO C[C@H]1C(=O)NCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000123517724 350076371 /nfs/dbraw/zinc/07/63/71/350076371.db2.gz UHOAJUIKZCXWEV-QMMMGPOBSA-N 1 2 264.281 0.441 20 10 CCCDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000123517724 350076374 /nfs/dbraw/zinc/07/63/74/350076374.db2.gz UHOAJUIKZCXWEV-QMMMGPOBSA-N 1 2 264.281 0.441 20 10 CCCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000093102972 389034502 /nfs/dbraw/zinc/03/45/02/389034502.db2.gz FXBIMSLHIMELAC-KGLIPLIRSA-N 1 2 278.352 0.861 20 10 CCCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000093102972 389034504 /nfs/dbraw/zinc/03/45/04/389034504.db2.gz FXBIMSLHIMELAC-KGLIPLIRSA-N 1 2 278.352 0.861 20 10 CCCDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000372638909 389455618 /nfs/dbraw/zinc/45/56/18/389455618.db2.gz KWLHAYMEYHAIPL-DGCLKSJQSA-N 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CC(=O)c1cc(F)cc(CN2CC[N@H+](C)C[C@H]2CO)c1O ZINC000879002456 614249474 /nfs/dbraw/zinc/24/94/74/614249474.db2.gz IDIFTSMURGVRQU-ZDUSSCGKSA-N 1 2 296.342 0.842 20 10 CCCDLO CC1(C(N)=O)C[NH+](Cc2ccc(F)c(F)c2O)C1 ZINC000864051023 614498571 /nfs/dbraw/zinc/49/85/71/614498571.db2.gz YDRKNYKDGLVRSC-UHFFFAOYSA-N 1 2 256.252 0.978 20 10 CCCDLO CCc1cccc(C[NH+]2CC(O)(c3ncnn3C)C2)c1O ZINC000895617227 615682392 /nfs/dbraw/zinc/68/23/92/615682392.db2.gz YRCTTZLDNICLIA-UHFFFAOYSA-N 1 2 288.351 0.787 20 10 CCCDLO CCc1cccc(C[NH+]2CC3(C2)NC(=O)NC3=O)c1O ZINC000897903720 615682800 /nfs/dbraw/zinc/68/28/00/615682800.db2.gz BDYZLAXYQOODBP-UHFFFAOYSA-N 1 2 275.308 0.348 20 10 CCCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1F ZINC000862535635 616014660 /nfs/dbraw/zinc/01/46/60/616014660.db2.gz UOVOVUJVRWRAKX-LBPRGKRZSA-N 1 2 295.358 0.968 20 10 CCCDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1F ZINC000862535635 616014661 /nfs/dbraw/zinc/01/46/61/616014661.db2.gz UOVOVUJVRWRAKX-LBPRGKRZSA-N 1 2 295.358 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HYXVJXDUVWQYFO-UHFFFAOYSA-N 1 2 284.381 0.742 20 10 CCCDLO O=C(/C=C/C[NH+]1CCOCC1)NCc1ccc(O)c(O)c1 ZINC000866769638 645594955 /nfs/dbraw/zinc/59/49/55/645594955.db2.gz NLWXKYLYAXRACP-OWOJBTEDSA-N 1 2 292.335 0.602 20 10 CCCDLO C[C@H](NC(=O)CN1CC[NH2+]CC1=O)c1ccccc1O ZINC000870987744 646072808 /nfs/dbraw/zinc/07/28/08/646072808.db2.gz CKAKYGKNEUZXMS-JTQLQIEISA-N 1 2 277.324 0.001 20 10 CCCDLO CNC(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1OC ZINC001231848965 805862336 /nfs/dbraw/zinc/86/23/36/805862336.db2.gz MDIHUGZDKIOACR-UHFFFAOYSA-N 1 2 265.357 0.939 20 10 CCCDLO CNC(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1OC ZINC001231848965 805862344 /nfs/dbraw/zinc/86/23/44/805862344.db2.gz MDIHUGZDKIOACR-UHFFFAOYSA-N 1 2 265.357 0.939 20 10 CCCDLO C[N@@H+]1CCO[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001233014398 806006624 /nfs/dbraw/zinc/00/66/24/806006624.db2.gz SVKRHPGFKCKUSZ-MFKMUULPSA-N 1 2 280.324 0.318 20 10 CCCDLO C[N@H+]1CCO[C@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001233014398 806006630 /nfs/dbraw/zinc/00/66/30/806006630.db2.gz SVKRHPGFKCKUSZ-MFKMUULPSA-N 1 2 280.324 0.318 20 10 CCCDLO COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(F)c(F)c1O ZINC001236056776 806539292 /nfs/dbraw/zinc/53/92/92/806539292.db2.gz QUDLPKDNWHGMGB-JTQLQIEISA-N 1 2 286.278 0.617 20 10 CCCDLO C[NH+]1CCN(C2CN(Cc3cccc(F)c3O)C2)CC1 ZINC001138131101 799702384 /nfs/dbraw/zinc/70/23/84/799702384.db2.gz PRYCHBYKGRBBPU-UHFFFAOYSA-N 1 2 279.359 0.963 20 10 CCCDLO O=C1CN(C2C[NH+](Cc3cccc(F)c3O)C2)CCN1 ZINC001138128456 799703216 /nfs/dbraw/zinc/70/32/16/799703216.db2.gz LHBCCCSKTSPVFA-UHFFFAOYSA-N 1 2 279.315 0.147 20 10 CCCDLO CC(=O)[C@H]1C[N@H+](Cc2ccc(O)cc2O)CCO1 ZINC001204282727 803077014 /nfs/dbraw/zinc/07/70/14/803077014.db2.gz UBCJKFBKTSXUFJ-CYBMUJFWSA-N 1 2 251.282 0.888 20 10 CCCDLO CC(=O)[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CCO1 ZINC001204282727 803077018 /nfs/dbraw/zinc/07/70/18/803077018.db2.gz UBCJKFBKTSXUFJ-CYBMUJFWSA-N 1 2 251.282 0.888 20 10 CCCDLO CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(O)c(O)cc1O ZINC001233486037 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ZINC001270068418 813610734 /nfs/dbraw/zinc/61/07/34/813610734.db2.gz SPLSEJRIPWURBZ-UHFFFAOYSA-N 1 2 264.281 0.334 20 10 CCCDLO C[N@H+]1CCC12CN(C(=O)c1ccc(O)c(O)c1O)C2 ZINC001270068418 813610741 /nfs/dbraw/zinc/61/07/41/813610741.db2.gz SPLSEJRIPWURBZ-UHFFFAOYSA-N 1 2 264.281 0.334 20 10 CCCDLO COC(=O)[C@H]1CN(Cc2c(F)ccc(F)c2O)C[C@@H]1[NH3+] ZINC001236346563 817274009 /nfs/dbraw/zinc/27/40/09/817274009.db2.gz IPVPTMUYMHIEJZ-KWQFWETISA-N 1 2 286.278 0.603 20 10 CCCDLO O=C(/C=C\C[NH+]1CCOCC1)NCc1cccc(O)c1O ZINC001352657590 925613469 /nfs/dbraw/zinc/61/34/69/925613469.db2.gz HUXLPKOMWXMSDU-DJWKRKHSSA-N 1 2 292.335 0.602 20 10 CCCDLO O=C(c1cccc(O)c1O)N1CCn2c[nH+]cc2C1 ZINC000365744623 357169604 /nfs/dbraw/zinc/16/96/04/357169604.db2.gz MCDHZZSTDZCTHR-UHFFFAOYSA-N 1 2 259.265 0.950 20 10 CCCDLO COCCN1CC[N@H+](Cc2cc(F)ccc2O)CC1=O ZINC000181575296 389688720 /nfs/dbraw/zinc/68/87/20/389688720.db2.gz HSSSLETYZSCCAE-UHFFFAOYSA-N 1 2 282.315 0.822 20 10 CCCDLO COCCN1CC[N@@H+](Cc2cc(F)ccc2O)CC1=O 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NC(=O)[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CCO1 ZINC001137838481 819593429 /nfs/dbraw/zinc/59/34/29/819593429.db2.gz BLIHCXUHFDOYCC-NSHDSACASA-N 1 2 254.261 0.217 20 10 CCCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(OC)ccc1O ZINC000271752055 353034533 /nfs/dbraw/zinc/03/45/33/353034533.db2.gz VXQNWPUODSODHZ-PWSUYJOCSA-N 1 2 281.308 0.509 20 10 CCCDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(OC)ccc1O ZINC000271752055 353034535 /nfs/dbraw/zinc/03/45/35/353034535.db2.gz VXQNWPUODSODHZ-PWSUYJOCSA-N 1 2 281.308 0.509 20 10 CCCDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000188612460 388934537 /nfs/dbraw/zinc/93/45/37/388934537.db2.gz FXBIMSLHIMELAC-UONOGXRCSA-N 1 2 278.352 0.861 20 10 CCCDLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000188612460 388934540 /nfs/dbraw/zinc/93/45/40/388934540.db2.gz FXBIMSLHIMELAC-UONOGXRCSA-N 1 2 278.352 0.861 20 10 CCCDLO CNC(=O)[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000182477669 389709148 /nfs/dbraw/zinc/70/91/48/389709148.db2.gz 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COC(=O)[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)CCO1 ZINC000769333011 581684957 /nfs/dbraw/zinc/68/49/57/581684957.db2.gz MZWJCWNFXYVTSX-ZDUSSCGKSA-N 1 2 281.308 0.775 20 10 CCCDLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841009921 615148526 /nfs/dbraw/zinc/14/85/26/615148526.db2.gz JUIFEIAXWUHASB-UHFFFAOYSA-N 1 2 276.340 0.371 20 10 CCCDLO CN1C(=O)C(=Cc2cccc3[nH+]ccn32)C(=O)N(C)C1=O ZINC000180307736 623585962 /nfs/dbraw/zinc/58/59/62/623585962.db2.gz ZDSNNMOFEIRAMG-UHFFFAOYSA-N 1 2 284.275 0.768 20 10 CCCDLO Oc1c(Br)cccc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000862446135 645000830 /nfs/dbraw/zinc/00/08/30/645000830.db2.gz RPHDYDQFELJYEG-UWVGGRQHSA-N 1 2 288.141 0.692 20 10 CCCDLO OC[C@H]1C[N@H+](Cc2c(O)ccc(F)c2F)C[C@@H]1O ZINC001233332796 806041898 /nfs/dbraw/zinc/04/18/98/806041898.db2.gz XVTYJEGEELROLP-HQJQHLMTSA-N 1 2 259.252 0.455 20 10 CCCDLO OC[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)C[C@@H]1O ZINC001233332796 806041908 /nfs/dbraw/zinc/04/19/08/806041908.db2.gz XVTYJEGEELROLP-HQJQHLMTSA-N 1 2 259.252 0.455 20 10 CCCDLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138499613 799737624 /nfs/dbraw/zinc/73/76/24/799737624.db2.gz VPQUUNWUTJBJEF-CYBMUJFWSA-N 1 2 289.379 0.844 20 10 CCCDLO C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138499613 799737628 /nfs/dbraw/zinc/73/76/28/799737628.db2.gz VPQUUNWUTJBJEF-CYBMUJFWSA-N 1 2 289.379 0.844 20 10 CCCDLO N[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCC1(F)F ZINC001206685286 802778452 /nfs/dbraw/zinc/77/84/52/802778452.db2.gz ZTFMDJYUBIYKSO-NSHDSACASA-N 1 2 274.267 0.972 20 10 CCCDLO N[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCC1(F)F ZINC001206685286 802778458 /nfs/dbraw/zinc/77/84/58/802778458.db2.gz ZTFMDJYUBIYKSO-NSHDSACASA-N 1 2 274.267 0.972 20 10 CCCDLO CCNS(=O)(=O)CC[NH2+]Cc1ccc(F)c(F)c1O ZINC000703417074 819267751 /nfs/dbraw/zinc/26/77/51/819267751.db2.gz HRLWKSALVNWDNU-UHFFFAOYSA-N 1 2 294.323 0.699 20 10 CCCDLO Cn1c[nH+]cc1CNC(=O)c1c(F)ccc(O)c1O ZINC001184152252 844163455 /nfs/dbraw/zinc/16/34/55/844163455.db2.gz 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C[N@H+]1CCOC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000862972291 616248408 /nfs/dbraw/zinc/24/84/08/616248408.db2.gz ZLYJLIYIYHACBS-PYEVWLCESA-N 1 2 292.335 0.558 20 10 CCCDLO C[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1=O)c1ccccc1O ZINC000877258089 646770580 /nfs/dbraw/zinc/77/05/80/646770580.db2.gz VOKNCJNDZRADJI-QWRGUYRKSA-N 1 2 291.351 0.390 20 10 CCCDLO O=C1NCCn2c(C[NH2+]Cc3ccc4c(c3)CCO4)nnc21 ZINC000883295434 647508691 /nfs/dbraw/zinc/50/86/91/647508691.db2.gz HYFOMGUREPLFLQ-UHFFFAOYSA-N 1 2 299.334 0.246 20 10 CCCDLO NC(=O)[C@H]1CCn2nccc2C[N@@H+]1Cc1ccccc1O ZINC001277441822 805578693 /nfs/dbraw/zinc/57/86/93/805578693.db2.gz PZMLVFRNFGCABK-CYBMUJFWSA-N 1 2 286.335 0.849 20 10 CCCDLO NC(=O)[C@H]1CCn2nccc2C[N@H+]1Cc1ccccc1O ZINC001277441822 805578699 /nfs/dbraw/zinc/57/86/99/805578699.db2.gz PZMLVFRNFGCABK-CYBMUJFWSA-N 1 2 286.335 0.849 20 10 CCCDLO NC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001277484148 805724096 /nfs/dbraw/zinc/72/40/96/805724096.db2.gz KPFATRUCTRRLTD-OQPBUACISA-N 1 2 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294.351 0.779 20 10 CCCDLO O=S1(=O)CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708465433 819776050 /nfs/dbraw/zinc/77/60/50/819776050.db2.gz HPEABPRKZSAOLK-SECBINFHSA-N 1 2 277.292 0.947 20 10 CCCDLO COc1ccc(N2CC[NH+]([C@H]3CCNC3=O)CC2)cc1F ZINC000178209618 389599944 /nfs/dbraw/zinc/59/99/44/389599944.db2.gz LOBXFNNVMMCKKL-ZDUSSCGKSA-N 1 2 293.342 0.845 20 10 CCCDLO NC(=O)CN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179895539 389664567 /nfs/dbraw/zinc/66/45/67/389664567.db2.gz YRIYSYHDHRYXCL-UHFFFAOYSA-N 1 2 267.304 0.134 20 10 CCCDLO CCOc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)c1O ZINC000276585175 521344540 /nfs/dbraw/zinc/34/45/40/521344540.db2.gz JYAVMZJCSZAQDM-NWDGAFQWSA-N 1 2 295.335 0.899 20 10 CCCDLO CCOc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2C(=O)OC)c1O ZINC000276585175 521344551 /nfs/dbraw/zinc/34/45/51/521344551.db2.gz JYAVMZJCSZAQDM-NWDGAFQWSA-N 1 2 295.335 0.899 20 10 CCCDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(OC)ccc1O ZINC000276679212 523791775 /nfs/dbraw/zinc/79/17/75/523791775.db2.gz 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COc1cc(N(C)C)ccc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC001231855651 805862909 /nfs/dbraw/zinc/86/29/09/805862909.db2.gz XTKYHDADVATOGU-CQSZACIVSA-N 1 2 293.367 0.447 20 10 CCCDLO CC(=O)N1CCC2(C[NH+](Cc3cc(O)c(O)c(O)c3)C2)C1 ZINC001233012804 806006683 /nfs/dbraw/zinc/00/66/83/806006683.db2.gz NRGHGVBASVASNP-UHFFFAOYSA-N 1 2 292.335 0.858 20 10 CCCDLO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233014963 806007137 /nfs/dbraw/zinc/00/71/37/806007137.db2.gz CLHWRPWURMMSFN-JTQLQIEISA-N 1 2 280.324 0.904 20 10 CCCDLO CCNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233014963 806007145 /nfs/dbraw/zinc/00/71/45/806007145.db2.gz CLHWRPWURMMSFN-JTQLQIEISA-N 1 2 280.324 0.904 20 10 CCCDLO COC(=O)[C@H]1C[N@H+](Cc2cc(O)c(O)cc2O)CCN1C ZINC001233486710 806061235 /nfs/dbraw/zinc/06/12/35/806061235.db2.gz YQGPYRPRVNQKRC-SNVBAGLBSA-N 1 2 296.323 0.092 20 10 CCCDLO COC(=O)[C@H]1C[N@@H+](Cc2cc(O)c(O)cc2O)CCN1C ZINC001233486710 806061244 /nfs/dbraw/zinc/06/12/44/806061244.db2.gz 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CO[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1O ZINC000396026285 854356828 /nfs/dbraw/zinc/35/68/28/854356828.db2.gz WZPIKWXFJYHUFZ-CHWSQXEVSA-N 1 2 283.299 0.925 20 10 CCCDLO CO[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1O ZINC000396026285 854356832 /nfs/dbraw/zinc/35/68/32/854356832.db2.gz WZPIKWXFJYHUFZ-CHWSQXEVSA-N 1 2 283.299 0.925 20 10 CCCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001336116456 920615518 /nfs/dbraw/zinc/61/55/18/920615518.db2.gz DXBUFEPTFGABSI-STQMWFEESA-N 1 2 264.325 0.767 20 10 CCCDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N)cc1 ZINC001336116456 920615528 /nfs/dbraw/zinc/61/55/28/920615528.db2.gz DXBUFEPTFGABSI-STQMWFEESA-N 1 2 264.325 0.767 20 10 CCCDLO COc1ccc(N2CC[NH+](CC(=O)NC(N)=O)CC2)cc1 ZINC000039561422 348230231 /nfs/dbraw/zinc/23/02/31/348230231.db2.gz GSZQRRQFDZYDOU-UHFFFAOYSA-N 1 2 292.339 0.012 20 10 CCCDLO COC(=O)[C@H]([NH2+]Cc1cccc(C)c1O)[C@H](C)O ZINC000191963569 351779646 /nfs/dbraw/zinc/77/96/46/351779646.db2.gz 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Oc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cc1O ZINC001233483307 806059993 /nfs/dbraw/zinc/05/99/93/806059993.db2.gz VBXGDZFQPSBZOX-DTWKUNHWSA-N 1 2 257.261 0.708 20 10 CCCDLO Oc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cc1O ZINC001233483307 806060005 /nfs/dbraw/zinc/06/00/05/806060005.db2.gz VBXGDZFQPSBZOX-DTWKUNHWSA-N 1 2 257.261 0.708 20 10 CCCDLO CC(=O)N(C)C1C[NH+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485934 806061675 /nfs/dbraw/zinc/06/16/75/806061675.db2.gz QQQMUQIYGAXWDF-UHFFFAOYSA-N 1 2 266.297 0.466 20 10 CCCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H](O)CO ZINC001237618348 806702972 /nfs/dbraw/zinc/70/29/72/806702972.db2.gz IIPMJQKNCUDOES-SECBINFHSA-N 1 2 263.696 0.970 20 10 CCCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H](O)CO ZINC001237618348 806702974 /nfs/dbraw/zinc/70/29/74/806702974.db2.gz IIPMJQKNCUDOES-SECBINFHSA-N 1 2 263.696 0.970 20 10 CCCDLO COC(=O)Cc1ccc(CN2CC3(CC[N@@H+]3C)C2)c(O)c1 ZINC001277421224 805558172 /nfs/dbraw/zinc/55/81/72/805558172.db2.gz QBCFEGLBWPUXTN-UHFFFAOYSA-N 1 2 290.363 0.998 20 10 CCCDLO COC(=O)Cc1ccc(CN2CC3(CC[N@H+]3C)C2)c(O)c1 ZINC001277421224 805558179 /nfs/dbraw/zinc/55/81/79/805558179.db2.gz QBCFEGLBWPUXTN-UHFFFAOYSA-N 1 2 290.363 0.998 20 10 CCCDLO O=c1[nH]ccn2c(C[NH2+]Cc3ccc4c(c3)CCO4)nnc12 ZINC001262078141 809185702 /nfs/dbraw/zinc/18/57/02/809185702.db2.gz ZKYHAQGWTRHYPA-UHFFFAOYSA-N 1 2 297.318 0.642 20 10 CCCDLO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1c(F)ccc(F)c1O ZINC001236193448 817155420 /nfs/dbraw/zinc/15/54/20/817155420.db2.gz AWMFXULGBCFISM-HQJQHLMTSA-N 1 2 286.278 0.745 20 10 CCCDLO O=C(NCC[NH+]1CC2(COC2)C1)c1cccc(O)c1O ZINC001148224755 840766267 /nfs/dbraw/zinc/76/62/67/840766267.db2.gz URSFPGNIYPEAJB-UHFFFAOYSA-N 1 2 278.308 0.160 20 10 CCCDLO COc1c(O)c(C[NH2+]Cc2nncn2C)ccc1[N+](=O)[O-] ZINC001322150351 911682548 /nfs/dbraw/zinc/68/25/48/911682548.db2.gz QEQKTPKBTSEBDJ-UHFFFAOYSA-N 1 2 293.283 0.727 20 10 CCCDLO COc1ccc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c(O)c1OC ZINC001351950490 925498659 /nfs/dbraw/zinc/49/86/59/925498659.db2.gz PEKGJSDALBTURJ-LLVKDONJSA-N 1 2 296.323 0.096 20 10 CCCDLO COc1ccc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c(O)c1OC ZINC001351950490 925498667 /nfs/dbraw/zinc/49/86/67/925498667.db2.gz PEKGJSDALBTURJ-LLVKDONJSA-N 1 2 296.323 0.096 20 10 CCCDLO COc1ccc(O)c(C[N@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000295022161 199304480 /nfs/dbraw/zinc/30/44/80/199304480.db2.gz NFSVZCXOUFKRDR-VIFPVBQESA-N 1 2 250.298 0.721 20 10 CCCDLO COc1ccc(O)c(C[N@@H+]2CC(=O)N[C@@H](C)C2)c1 ZINC000295022161 199304482 /nfs/dbraw/zinc/30/44/82/199304482.db2.gz NFSVZCXOUFKRDR-VIFPVBQESA-N 1 2 250.298 0.721 20 10 CCCDLO COc1cc(O)c(C[N@H+]2CC(=O)N[C@H](C)C2)cc1OC ZINC000295129017 199360182 /nfs/dbraw/zinc/36/01/82/199360182.db2.gz YESQNHXJBALWLS-SECBINFHSA-N 1 2 280.324 0.730 20 10 CCCDLO COc1cc(O)c(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1OC ZINC000295129017 199360183 /nfs/dbraw/zinc/36/01/83/199360183.db2.gz YESQNHXJBALWLS-SECBINFHSA-N 1 2 280.324 0.730 20 10 CCCDLO CNC(=O)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272302544 353051725 /nfs/dbraw/zinc/05/17/25/353051725.db2.gz PXXFQFONMMKCIL-UHFFFAOYSA-N 1 2 267.304 0.988 20 10 CCCDLO NC(=O)[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000295431713 353893832 /nfs/dbraw/zinc/89/38/32/353893832.db2.gz TUGXDRYQUXOHLE-LLVKDONJSA-N 1 2 288.706 0.871 20 10 CCCDLO NC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000295431713 353893834 /nfs/dbraw/zinc/89/38/34/353893834.db2.gz TUGXDRYQUXOHLE-LLVKDONJSA-N 1 2 288.706 0.871 20 10 CCCDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000529643513 390848930 /nfs/dbraw/zinc/84/89/30/390848930.db2.gz KKEKRLVXDRTYIQ-GFCCVEGCSA-N 1 2 297.330 0.661 20 10 CCCDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000529643513 390848933 /nfs/dbraw/zinc/84/89/33/390848933.db2.gz KKEKRLVXDRTYIQ-GFCCVEGCSA-N 1 2 297.330 0.661 20 10 CCCDLO CCN1OC[C@@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000788494309 581114060 /nfs/dbraw/zinc/11/40/60/581114060.db2.gz MXSUPULMYWNEDR-LLVKDONJSA-N 1 2 250.298 0.986 20 10 CCCDLO CCN1OC[C@@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000788494309 581114061 /nfs/dbraw/zinc/11/40/61/581114061.db2.gz MXSUPULMYWNEDR-LLVKDONJSA-N 1 2 250.298 0.986 20 10 CCCDLO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2C(=O)OC)c1 ZINC000276597096 521147083 /nfs/dbraw/zinc/14/70/83/521147083.db2.gz KZENCHXLONGJAT-AAEUAGOBSA-N 1 2 295.335 0.899 20 10 CCCDLO CCOc1ccc(O)c(C[N@H+]2C[C@@H](O)C[C@H]2C(=O)OC)c1 ZINC000276597096 521147092 /nfs/dbraw/zinc/14/70/92/521147092.db2.gz KZENCHXLONGJAT-AAEUAGOBSA-N 1 2 295.335 0.899 20 10 CCCDLO O=C1NC(=O)N2CC[N@@H+](Cc3c(O)cccc3Cl)C[C@@H]12 ZINC000779433125 581185400 /nfs/dbraw/zinc/18/54/00/581185400.db2.gz QKIUGUPQUSDOAJ-JTQLQIEISA-N 1 2 295.726 0.782 20 10 CCCDLO O=C1NC(=O)N2CC[N@H+](Cc3c(O)cccc3Cl)C[C@@H]12 ZINC000779433125 581185402 /nfs/dbraw/zinc/18/54/02/581185402.db2.gz QKIUGUPQUSDOAJ-JTQLQIEISA-N 1 2 295.726 0.782 20 10 CCCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H]3C[C@@H]31)[C@@H](O)CO2 ZINC000793621512 581305326 /nfs/dbraw/zinc/30/53/26/581305326.db2.gz ZBKMUDGDBLQMPQ-VHRBIJSZSA-N 1 2 263.293 0.791 20 10 CCCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H]3C[C@@H]31)[C@@H](O)CO2 ZINC000793621512 581305327 /nfs/dbraw/zinc/30/53/27/581305327.db2.gz ZBKMUDGDBLQMPQ-VHRBIJSZSA-N 1 2 263.293 0.791 20 10 CCCDLO CN(C)c1cc(F)c(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1F ZINC000862246145 616006518 /nfs/dbraw/zinc/00/65/18/616006518.db2.gz ATAAZVWKLRDYBV-BETUJISGSA-N 1 2 272.295 0.568 20 10 CCCDLO CN(C)c1cc(F)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1F ZINC000862246145 616006519 /nfs/dbraw/zinc/00/65/19/616006519.db2.gz ATAAZVWKLRDYBV-BETUJISGSA-N 1 2 272.295 0.568 20 10 CCCDLO O=S(=O)(CCn1cc[nH+]c1)NCc1c(O)cccc1F ZINC000921451674 638185247 /nfs/dbraw/zinc/18/52/47/638185247.db2.gz UJQYLWVARACPRJ-UHFFFAOYSA-N 1 2 299.327 0.847 20 10 CCCDLO NC(=O)C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000862535722 645005775 /nfs/dbraw/zinc/00/57/75/645005775.db2.gz XDHAMJBTKIUBNW-NSHDSACASA-N 1 2 268.288 0.608 20 10 CCCDLO NC(=O)C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000862535722 645005776 /nfs/dbraw/zinc/00/57/76/645005776.db2.gz XDHAMJBTKIUBNW-NSHDSACASA-N 1 2 268.288 0.608 20 10 CCCDLO C[C@@H](C(=O)N(C)c1ccc(N)cc1)N1CC[NH2+]CC1=O ZINC000877074329 646726456 /nfs/dbraw/zinc/72/64/56/646726456.db2.gz HDFXRJUOINRIBO-JTQLQIEISA-N 1 2 276.340 0.052 20 10 CCCDLO OC[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1O ZINC001233073811 806017427 /nfs/dbraw/zinc/01/74/27/806017427.db2.gz CUVXRGWQVZCHQW-KOLCDFICSA-N 1 2 273.279 0.846 20 10 CCCDLO OC[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C[C@@H]1O ZINC001233073811 806017433 /nfs/dbraw/zinc/01/74/33/806017433.db2.gz CUVXRGWQVZCHQW-KOLCDFICSA-N 1 2 273.279 0.846 20 10 CCCDLO NC(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000722180048 806312036 /nfs/dbraw/zinc/31/20/36/806312036.db2.gz LGSNBAFSWWLZCY-UHFFFAOYSA-N 1 2 253.277 0.728 20 10 CCCDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)CO ZINC001237618349 806702843 /nfs/dbraw/zinc/70/28/43/806702843.db2.gz IIPMJQKNCUDOES-VIFPVBQESA-N 1 2 263.696 0.970 20 10 CCCDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)CO ZINC001237618349 806702845 /nfs/dbraw/zinc/70/28/45/806702845.db2.gz IIPMJQKNCUDOES-VIFPVBQESA-N 1 2 263.696 0.970 20 10 CCCDLO OC[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2O)C[C@@H]1O ZINC001237808975 806719649 /nfs/dbraw/zinc/71/96/49/806719649.db2.gz XIWKLIBCQHAEFM-KWQFWETISA-N 1 2 275.707 0.970 20 10 CCCDLO OC[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2O)C[C@@H]1O ZINC001237808975 806719653 /nfs/dbraw/zinc/71/96/53/806719653.db2.gz XIWKLIBCQHAEFM-KWQFWETISA-N 1 2 275.707 0.970 20 10 CCCDLO COC(=O)C[C@H]1C[N@H+](Cc2ccc(O)cc2O)CCO1 ZINC001204277825 803076774 /nfs/dbraw/zinc/07/67/74/803076774.db2.gz BRSOMUHVWUBASF-LBPRGKRZSA-N 1 2 281.308 0.862 20 10 CCCDLO COC(=O)C[C@H]1C[N@@H+](Cc2ccc(O)cc2O)CCO1 ZINC001204277825 803076782 /nfs/dbraw/zinc/07/67/82/803076782.db2.gz BRSOMUHVWUBASF-LBPRGKRZSA-N 1 2 281.308 0.862 20 10 CCCDLO C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(C(=O)[O-])ccc1O ZINC001593245820 994440685 /nfs/dbraw/zinc/44/06/85/994440685.db2.gz CQKRDSXTJFELEM-MWLCHTKSSA-N 1 2 282.340 0.664 20 10 CCCDLO COC(=O)[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880489 348300103 /nfs/dbraw/zinc/30/01/03/348300103.db2.gz PSGACSZIOIOJIM-SSDOTTSWSA-N 1 2 253.254 0.772 20 10 CCCDLO COc1cccc(C[N@@H+]2CCNC(=O)[C@H]2C)c1O ZINC000123490391 350074875 /nfs/dbraw/zinc/07/48/75/350074875.db2.gz DAMLZHMVZOMOFR-SECBINFHSA-N 1 2 250.298 0.721 20 10 CCCDLO COc1cccc(C[N@H+]2CCNC(=O)[C@H]2C)c1O ZINC000123490391 350074879 /nfs/dbraw/zinc/07/48/79/350074879.db2.gz DAMLZHMVZOMOFR-SECBINFHSA-N 1 2 250.298 0.721 20 10 CCCDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000180164554 389666301 /nfs/dbraw/zinc/66/63/01/389666301.db2.gz AWPMSQRAXRVBLD-CYBMUJFWSA-N 1 2 282.315 0.868 20 10 CCCDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC000529640639 390848301 /nfs/dbraw/zinc/84/83/01/390848301.db2.gz CJUZYPOIHMIZII-LLVKDONJSA-N 1 2 297.330 0.661 20 10 CCCDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC000529640639 390848304 /nfs/dbraw/zinc/84/83/04/390848304.db2.gz CJUZYPOIHMIZII-LLVKDONJSA-N 1 2 297.330 0.661 20 10 CCCDLO COc1c(O)c(C[N@H+](C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000278216895 521865539 /nfs/dbraw/zinc/86/55/39/521865539.db2.gz LASHAZIYJRICID-UHFFFAOYSA-N 1 2 297.311 0.829 20 10 CCCDLO COc1c(O)c(C[N@@H+](C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000278216895 521865550 /nfs/dbraw/zinc/86/55/50/521865550.db2.gz LASHAZIYJRICID-UHFFFAOYSA-N 1 2 297.311 0.829 20 10 CCCDLO C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756556841 581671353 /nfs/dbraw/zinc/67/13/53/581671353.db2.gz QSXUBYDSHHMSMG-MWLCHTKSSA-N 1 2 283.328 0.874 20 10 CCCDLO COc1ccc(C[N@@H+]2C[C@@H](CO)OC[C@@H]2C)c(O)c1OC ZINC000892228199 617251577 /nfs/dbraw/zinc/25/15/77/617251577.db2.gz MTLCRQXKOLVWGQ-JQWIXIFHSA-N 1 2 297.351 0.991 20 10 CCCDLO COc1ccc(C[N@H+]2C[C@@H](CO)OC[C@@H]2C)c(O)c1OC ZINC000892228199 617251578 /nfs/dbraw/zinc/25/15/78/617251578.db2.gz MTLCRQXKOLVWGQ-JQWIXIFHSA-N 1 2 297.351 0.991 20 10 CCCDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1 ZINC000835028098 616011535 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OC[C@H]1C[N@H+](Cc2c(O)ccc(F)c2F)CC[C@H]1O ZINC001233332618 806043738 /nfs/dbraw/zinc/04/37/38/806043738.db2.gz RJBIQTDEFMQAOZ-LDYMZIIASA-N 1 2 273.279 0.846 20 10 CCCDLO OC[C@H]1C[N@@H+](Cc2c(O)ccc(F)c2F)CC[C@H]1O ZINC001233332618 806043747 /nfs/dbraw/zinc/04/37/47/806043747.db2.gz RJBIQTDEFMQAOZ-LDYMZIIASA-N 1 2 273.279 0.846 20 10 CCCDLO Oc1cc(O)c(C[NH+]2CCN([C@H]3CCOC3)CC2)cc1O ZINC001233482475 806059397 /nfs/dbraw/zinc/05/93/97/806059397.db2.gz OVHXUNFPRMYMRI-LBPRGKRZSA-N 1 2 294.351 0.710 20 10 CCCDLO O=C1CN(C2C[NH+](Cc3c(O)cccc3Cl)C2)CCN1 ZINC001140341537 799904442 /nfs/dbraw/zinc/90/44/42/799904442.db2.gz UVUHHICCRPULNI-UHFFFAOYSA-N 1 2 295.770 0.662 20 10 CCCDLO COc1cc(O)c(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c(OC)c1 ZINC001141032205 799973217 /nfs/dbraw/zinc/97/32/17/799973217.db2.gz VLRORGOFWRMTJY-CMPLNLGQSA-N 1 2 271.288 0.924 20 10 CCCDLO COc1cc(O)c(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c(OC)c1 ZINC001141032205 799973221 /nfs/dbraw/zinc/97/32/21/799973221.db2.gz 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ZINC001140746434 799939589 /nfs/dbraw/zinc/93/95/89/799939589.db2.gz ZAQRFWIRIIPXEL-SECBINFHSA-N 1 2 250.298 0.727 20 10 CCCDLO Cc1c(O)ccc(C[N@H+]2CCNC(=O)[C@H]2C)c1O ZINC001140746434 799939596 /nfs/dbraw/zinc/93/95/96/799939596.db2.gz ZAQRFWIRIIPXEL-SECBINFHSA-N 1 2 250.298 0.727 20 10 CCCDLO [NH3+]C[C@H]1C[N@H+](Cc2c([O-])c(F)ccc2F)C[C@@H]1O ZINC001206518916 803259006 /nfs/dbraw/zinc/25/90/06/803259006.db2.gz FXGHGVGRBIGSKW-CPCISQLKSA-N 1 2 258.268 0.422 20 10 CCCDLO [NH3+]C[C@H]1C[N@@H+](Cc2c([O-])c(F)ccc2F)C[C@@H]1O ZINC001206518916 803259009 /nfs/dbraw/zinc/25/90/09/803259009.db2.gz FXGHGVGRBIGSKW-CPCISQLKSA-N 1 2 258.268 0.422 20 10 CCCDLO COCCn1c[nH+]cc1CNC(=O)Cc1ccc(N)cc1 ZINC001220274954 804557993 /nfs/dbraw/zinc/55/79/93/804557993.db2.gz SKQGYAIHXJHAPX-UHFFFAOYSA-N 1 2 288.351 0.971 20 10 CCCDLO NC(=O)c1noc2c1C[N@H+](Cc1ccc(O)cc1O)CC2 ZINC001277192345 805335468 /nfs/dbraw/zinc/33/54/68/805335468.db2.gz MTEBQGYLLCQDLF-UHFFFAOYSA-N 1 2 289.291 0.743 20 10 CCCDLO NC(=O)c1noc2c1C[N@@H+](Cc1ccc(O)cc1O)CC2 ZINC001277192345 805335477 /nfs/dbraw/zinc/33/54/77/805335477.db2.gz MTEBQGYLLCQDLF-UHFFFAOYSA-N 1 2 289.291 0.743 20 10 CCCDLO C[NH+]1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 ZINC000586736960 809538231 /nfs/dbraw/zinc/53/82/31/809538231.db2.gz VEYAJBDPEQBBMK-UHFFFAOYSA-N 1 2 252.270 0.191 20 10 CCCDLO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2O)C1=O ZINC000700765697 818845483 /nfs/dbraw/zinc/84/54/83/818845483.db2.gz MYQJWHMUGOMGLW-SECBINFHSA-N 1 2 284.262 0.907 20 10 CCCDLO CN1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CC1=O ZINC000708547839 819788065 /nfs/dbraw/zinc/78/80/65/819788065.db2.gz AACCGGHOZWPHQY-VIFPVBQESA-N 1 2 256.252 0.991 20 10 CCCDLO O=C1CO[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C[C@H]2N1 ZINC001206152567 841793294 /nfs/dbraw/zinc/79/32/94/841793294.db2.gz ZMFVSBFMWREFLW-VXGBXAGGSA-N 1 2 298.289 0.760 20 10 CCCDLO O=C1CO[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C[C@H]2N1 ZINC001206152567 841793302 /nfs/dbraw/zinc/79/33/02/841793302.db2.gz ZMFVSBFMWREFLW-VXGBXAGGSA-N 1 2 298.289 0.760 20 10 CCCDLO C[N@@H+]1CCCC[C@H]1C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001178701419 842905850 /nfs/dbraw/zinc/90/58/50/842905850.db2.gz LSCSRAQNWAJDNE-NSHDSACASA-N 1 2 292.335 0.881 20 10 CCCDLO C[N@H+]1CCCC[C@H]1C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001178701419 842905857 /nfs/dbraw/zinc/90/58/57/842905857.db2.gz LSCSRAQNWAJDNE-NSHDSACASA-N 1 2 292.335 0.881 20 10 CCCDLO COc1cc(C(=O)NCCn2cc[nH+]c2)cc(O)c1O ZINC001193080731 845974064 /nfs/dbraw/zinc/97/40/64/845974064.db2.gz DKHATNIDEGALBW-UHFFFAOYSA-N 1 2 277.280 0.733 20 10 CCCDLO C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(C(=O)[O-])ccc1O ZINC001593245819 994440632 /nfs/dbraw/zinc/44/06/32/994440632.db2.gz CQKRDSXTJFELEM-KOLCDFICSA-N 1 2 282.340 0.664 20 10 CCCDLO C[N@H+](CC(=O)N1CCOCC1)Cc1cccc(F)c1O ZINC000272325791 282347155 /nfs/dbraw/zinc/34/71/55/282347155.db2.gz VGCZUVZCWDGBKG-UHFFFAOYSA-N 1 2 282.315 0.822 20 10 CCCDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1cccc(F)c1O ZINC000272325791 282347156 /nfs/dbraw/zinc/34/71/56/282347156.db2.gz VGCZUVZCWDGBKG-UHFFFAOYSA-N 1 2 282.315 0.822 20 10 CCCDLO CNS(=O)(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000188538610 388932349 /nfs/dbraw/zinc/93/23/49/388932349.db2.gz VROWMDWTZSHKMR-UHFFFAOYSA-N 1 2 278.761 0.684 20 10 CCCDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1OC ZINC000362379286 389234764 /nfs/dbraw/zinc/23/47/64/389234764.db2.gz GXIXIOVGDRKUDS-CYBMUJFWSA-N 1 2 296.323 0.096 20 10 CCCDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1OC ZINC000362379286 389234767 /nfs/dbraw/zinc/23/47/67/389234767.db2.gz GXIXIOVGDRKUDS-CYBMUJFWSA-N 1 2 296.323 0.096 20 10 CCCDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(O)c1O ZINC000126310171 260349473 /nfs/dbraw/zinc/34/94/73/260349473.db2.gz QWZNNBIYPGLWAW-JTQLQIEISA-N 1 2 280.324 0.548 20 10 CCCDLO CCOc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2C(=O)OC)c1O ZINC000276585180 521345495 /nfs/dbraw/zinc/34/54/95/521345495.db2.gz JYAVMZJCSZAQDM-RYUDHWBXSA-N 1 2 295.335 0.899 20 10 CCCDLO CCOc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2C(=O)OC)c1O ZINC000276585180 521345501 /nfs/dbraw/zinc/34/55/01/521345501.db2.gz JYAVMZJCSZAQDM-RYUDHWBXSA-N 1 2 295.335 0.899 20 10 CCCDLO C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[N@@H+]1CCO ZINC000790943397 581202663 /nfs/dbraw/zinc/20/26/63/581202663.db2.gz KTAPDURPEVUVHF-SNVBAGLBSA-N 1 2 280.324 0.236 20 10 CCCDLO C[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[N@H+]1CCO ZINC000790943397 581202666 /nfs/dbraw/zinc/20/26/66/581202666.db2.gz KTAPDURPEVUVHF-SNVBAGLBSA-N 1 2 280.324 0.236 20 10 CCCDLO Cc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c(O)c1O ZINC000780929847 581249878 /nfs/dbraw/zinc/24/98/78/581249878.db2.gz FHPDSZRHRLHLEU-NSHDSACASA-N 1 2 294.351 0.857 20 10 CCCDLO Cc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(O)c1O ZINC000780929847 581249880 /nfs/dbraw/zinc/24/98/80/581249880.db2.gz FHPDSZRHRLHLEU-NSHDSACASA-N 1 2 294.351 0.857 20 10 CCCDLO C[S@@](=O)CCN1CC[NH+](Cc2ccccc2O)CC1 ZINC000770511025 581749140 /nfs/dbraw/zinc/74/91/40/581749140.db2.gz VUXGYADWKWIBMJ-LJQANCHMSA-N 1 2 282.409 0.888 20 10 CCCDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000770511025 581749141 /nfs/dbraw/zinc/74/91/41/581749141.db2.gz VUXGYADWKWIBMJ-LJQANCHMSA-N 1 2 282.409 0.888 20 10 CCCDLO COC[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000902564213 616805800 /nfs/dbraw/zinc/80/58/00/616805800.db2.gz PQGGHHWBCIAKAC-NSHDSACASA-N 1 2 281.308 0.968 20 10 CCCDLO COC[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000902564213 616805804 /nfs/dbraw/zinc/80/58/04/616805804.db2.gz PQGGHHWBCIAKAC-NSHDSACASA-N 1 2 281.308 0.968 20 10 CCCDLO O=C1C[N@H+](Cc2c(O)ccc3ccncc32)CCN1 ZINC000834914892 642642501 /nfs/dbraw/zinc/64/25/01/642642501.db2.gz IRAXZXRMGBZYPG-UHFFFAOYSA-N 1 2 257.293 0.872 20 10 CCCDLO O=C1C[N@@H+](Cc2c(O)ccc3ccncc32)CCN1 ZINC000834914892 642642505 /nfs/dbraw/zinc/64/25/05/642642505.db2.gz IRAXZXRMGBZYPG-UHFFFAOYSA-N 1 2 257.293 0.872 20 10 CCCDLO C[C@H]1C[N@H+](CCNC(=O)Cc2ccc(N)cc2)CCO1 ZINC000844178654 643173948 /nfs/dbraw/zinc/17/39/48/643173948.db2.gz GPNOSNNUMIEDDN-LBPRGKRZSA-N 1 2 277.368 0.648 20 10 CCCDLO C[C@H]1C[N@@H+](CCNC(=O)Cc2ccc(N)cc2)CCO1 ZINC000844178654 643173955 /nfs/dbraw/zinc/17/39/55/643173955.db2.gz GPNOSNNUMIEDDN-LBPRGKRZSA-N 1 2 277.368 0.648 20 10 CCCDLO COc1cccc(C[NH+]2CC3(C2)CC[C@H](C(N)=O)O3)c1O ZINC001277451301 805589599 /nfs/dbraw/zinc/58/95/99/805589599.db2.gz CBLBCZMIKGQFBS-GFCCVEGCSA-N 1 2 292.335 0.620 20 10 CCCDLO COc1cc(C[NH+]2CC(NC(C)=O)C2)c(O)cc1O ZINC001231636112 805823358 /nfs/dbraw/zinc/82/33/58/805823358.db2.gz RFDADJHLZWEVHP-UHFFFAOYSA-N 1 2 266.297 0.427 20 10 CCCDLO COc1cc(C[NH+]2CC(N3CC(F)C3)C2)c(O)cc1O ZINC001231634728 805821698 /nfs/dbraw/zinc/82/16/98/805821698.db2.gz RPNULVVPJVUNKI-UHFFFAOYSA-N 1 2 282.315 0.944 20 10 CCCDLO O=C1NC[C@@]2(CCC[N@@H+](Cc3cc(O)c(O)c(O)c3)C2)O1 ZINC001233016752 806007784 /nfs/dbraw/zinc/00/77/84/806007784.db2.gz NEQQGFYZQDPGLQ-CQSZACIVSA-N 1 2 294.307 0.878 20 10 CCCDLO O=C1NC[C@@]2(CCC[N@H+](Cc3cc(O)c(O)c(O)c3)C2)O1 ZINC001233016752 806007790 /nfs/dbraw/zinc/00/77/90/806007790.db2.gz NEQQGFYZQDPGLQ-CQSZACIVSA-N 1 2 294.307 0.878 20 10 CCCDLO O=C1CN(C2C[NH+](Cc3ccc(Cl)cc3O)C2)CCN1 ZINC001140464778 791294045 /nfs/dbraw/zinc/29/40/45/791294045.db2.gz BZFQTQSEWQTQSP-UHFFFAOYSA-N 1 2 295.770 0.662 20 10 CCCDLO O=C1C[N@H+](Cc2cc(O)ccc2O)C[C@H]2CCCN12 ZINC001141160967 799987023 /nfs/dbraw/zinc/98/70/23/799987023.db2.gz LFCJAPOERIRBRT-LLVKDONJSA-N 1 2 262.309 0.904 20 10 CCCDLO O=C1C[N@@H+](Cc2cc(O)ccc2O)C[C@H]2CCCN12 ZINC001141160967 799987028 /nfs/dbraw/zinc/98/70/28/799987028.db2.gz LFCJAPOERIRBRT-LLVKDONJSA-N 1 2 262.309 0.904 20 10 CCCDLO COc1ccc(O)c(C[NH+]2CC3(C2)CN(C)C(=O)CO3)c1 ZINC001272636513 816885753 /nfs/dbraw/zinc/88/57/53/816885753.db2.gz FRVSTTTVGLMSON-UHFFFAOYSA-N 1 2 292.335 0.444 20 10 CCCDLO CON(C)C(=O)C[NH2+]Cc1ccc(F)c(F)c1O ZINC000703368010 819263761 /nfs/dbraw/zinc/26/37/61/819263761.db2.gz XKRASPMWZQFPHO-UHFFFAOYSA-N 1 2 260.240 0.780 20 10 CCCDLO NC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2F)CCO1 ZINC001137838480 819593626 /nfs/dbraw/zinc/59/36/26/819593626.db2.gz BLIHCXUHFDOYCC-LLVKDONJSA-N 1 2 254.261 0.217 20 10 CCCDLO NC(=O)[C@H]1C[N@@H+](Cc2c(O)cccc2F)CCO1 ZINC001137838480 819593632 /nfs/dbraw/zinc/59/36/32/819593632.db2.gz BLIHCXUHFDOYCC-LLVKDONJSA-N 1 2 254.261 0.217 20 10 CCCDLO O=C(N[C@@H](CO)Cc1c[nH]c[nH+]1)c1cccc(O)c1O ZINC001148219904 840767116 /nfs/dbraw/zinc/76/71/16/840767116.db2.gz FBILPOXWERMOGI-SECBINFHSA-N 1 2 277.280 0.154 20 10 CCCDLO O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)c1cccc(O)c1O ZINC001148219904 840767124 /nfs/dbraw/zinc/76/71/24/840767124.db2.gz FBILPOXWERMOGI-SECBINFHSA-N 1 2 277.280 0.154 20 10 CCCDLO Oc1ccccc1C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC001350329249 925171163 /nfs/dbraw/zinc/17/11/63/925171163.db2.gz BRYBXPHJPJBKMD-UHFFFAOYSA-N 1 2 273.340 0.828 20 10 CCCDLO