smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(O)c(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000179643110 432065892 /nfs/dbraw/zinc/06/58/92/432065892.db2.gz TUNHVDCSEXLAMK-UHFFFAOYSA-N 1 1 308.381 3.440 10 10 DGCEMO COc1ccc(O)c(C[N@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000179643110 432065894 /nfs/dbraw/zinc/06/58/94/432065894.db2.gz TUNHVDCSEXLAMK-UHFFFAOYSA-N 1 1 308.381 3.440 10 10 DGCEMO Oc1ccc2ccccc2c1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246595770 432147599 /nfs/dbraw/zinc/14/75/99/432147599.db2.gz CXAGUQVBVCYKAE-AEFFLSMTSA-N 1 1 315.438 3.252 10 10 DGCEMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)C(F)(F)F ZINC000121033341 431741117 /nfs/dbraw/zinc/74/11/17/431741117.db2.gz PPBICIYFWHCEEW-OAHLLOKOSA-N 1 1 316.367 3.032 10 10 DGCEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000122829788 431846362 /nfs/dbraw/zinc/84/63/62/431846362.db2.gz UISHYSQPEFANLC-GOSISDBHSA-N 1 1 312.461 3.349 10 10 DGCEMO COc1cccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1O ZINC000093768496 431917356 /nfs/dbraw/zinc/91/73/56/431917356.db2.gz PBDCDNBAGJEJAN-HNNXBMFYSA-N 1 1 305.399 3.036 10 10 DGCEMO COc1cccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1O ZINC000093768496 431917359 /nfs/dbraw/zinc/91/73/59/431917359.db2.gz PBDCDNBAGJEJAN-HNNXBMFYSA-N 1 1 305.399 3.036 10 10 DGCEMO Cc1nnc([C@@H]([NH2+][C@H](C)c2ccccc2O)c2ccccc2)[nH]1 ZINC000154166453 432478933 /nfs/dbraw/zinc/47/89/33/432478933.db2.gz UXHGDYVOQICPFB-PXAZEXFGSA-N 1 1 308.385 3.259 10 10 DGCEMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccccc2O)C1 ZINC000245607646 432848822 /nfs/dbraw/zinc/84/88/22/432848822.db2.gz MVNYOMITPIQXIU-SJORKVTESA-N 1 1 302.462 3.479 10 10 DGCEMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccccc2O)C1 ZINC000245607646 432848823 /nfs/dbraw/zinc/84/88/23/432848823.db2.gz MVNYOMITPIQXIU-SJORKVTESA-N 1 1 302.462 3.479 10 10 DGCEMO c1sc(C[NH2+]Cc2ccc3c(c2)CCO3)nc1-c1ccncc1 ZINC000733331404 574617116 /nfs/dbraw/zinc/61/71/16/574617116.db2.gz LMVUZVLSUFTTOH-UHFFFAOYSA-N 1 1 323.421 3.430 10 10 DGCEMO [O-]c1cccc(Cl)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134038669 626851281 /nfs/dbraw/zinc/85/12/81/626851281.db2.gz ADFXBHFFYBMDBZ-UHFFFAOYSA-N 1 1 308.853 3.353 10 10 DGCEMO Cc1cccc(C[NH2+]Cc2cccc(Br)c2O)n1 ZINC000051575730 655771993 /nfs/dbraw/zinc/77/19/93/655771993.db2.gz QSUKLTFTPNEMLS-UHFFFAOYSA-N 1 1 307.191 3.148 10 10 DGCEMO Cc1cc(Br)cc(C[N@H+]2CCO[C@@H](C)CC2)c1O ZINC000720497663 657804284 /nfs/dbraw/zinc/80/42/84/657804284.db2.gz WCKJZZAUXIYCND-NSHDSACASA-N 1 1 314.223 3.074 10 10 DGCEMO Cc1cc(O)c(C[N@H+]2CCCC[C@@H](N3CCCC3)C2)cc1C ZINC000092785630 662335846 /nfs/dbraw/zinc/33/58/46/662335846.db2.gz UVQBPHKTASKWFD-GOSISDBHSA-N 1 1 302.462 3.459 10 10 DGCEMO Cc1cc(O)c(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1C ZINC000092785630 662335849 /nfs/dbraw/zinc/33/58/49/662335849.db2.gz UVQBPHKTASKWFD-GOSISDBHSA-N 1 1 302.462 3.459 10 10 DGCEMO CC1(C)SC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000390501735 685202068 /nfs/dbraw/zinc/20/20/68/685202068.db2.gz UYNWYMHQEULBRZ-SNVBAGLBSA-N 1 1 302.237 3.138 10 10 DGCEMO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1O ZINC000092593974 185327932 /nfs/dbraw/zinc/32/79/32/185327932.db2.gz QVICLMKYXZIETJ-OAHLLOKOSA-N 1 1 319.426 3.426 10 10 DGCEMO CCOc1cccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1O ZINC000092593974 185327933 /nfs/dbraw/zinc/32/79/33/185327933.db2.gz QVICLMKYXZIETJ-OAHLLOKOSA-N 1 1 319.426 3.426 10 10 DGCEMO C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@H](c2ccc(F)cc2)O1 ZINC000179578651 432063795 /nfs/dbraw/zinc/06/37/95/432063795.db2.gz OQWSDWPCDTWDQZ-SCLBCKFNSA-N 1 1 301.361 3.493 10 10 DGCEMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O ZINC000298225107 132051831 /nfs/dbraw/zinc/05/18/31/132051831.db2.gz GPVJPRPTACTATC-HIFRSBDPSA-N 1 1 313.319 3.211 10 10 DGCEMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O ZINC000298225107 132051833 /nfs/dbraw/zinc/05/18/33/132051833.db2.gz GPVJPRPTACTATC-HIFRSBDPSA-N 1 1 313.319 3.211 10 10 DGCEMO Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180116260 228355317 /nfs/dbraw/zinc/35/53/17/228355317.db2.gz DBDSKFDODHWYSN-UHFFFAOYSA-N 1 1 319.836 3.234 10 10 DGCEMO Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000180615059 279172760 /nfs/dbraw/zinc/17/27/60/279172760.db2.gz RKXUAKBHPSUWJO-AWEZNQCLSA-N 1 1 305.809 3.215 10 10 DGCEMO Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000180615059 279172762 /nfs/dbraw/zinc/17/27/62/279172762.db2.gz RKXUAKBHPSUWJO-AWEZNQCLSA-N 1 1 305.809 3.215 10 10 DGCEMO COc1cccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1O ZINC000093768497 431916865 /nfs/dbraw/zinc/91/68/65/431916865.db2.gz PBDCDNBAGJEJAN-OAHLLOKOSA-N 1 1 305.399 3.036 10 10 DGCEMO COc1cccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1O ZINC000093768497 431916867 /nfs/dbraw/zinc/91/68/67/431916867.db2.gz PBDCDNBAGJEJAN-OAHLLOKOSA-N 1 1 305.399 3.036 10 10 DGCEMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245644069 432853041 /nfs/dbraw/zinc/85/30/41/432853041.db2.gz FFESWHLGOBAHRX-SUMWQHHRSA-N 1 1 320.864 3.494 10 10 DGCEMO [O-]c1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245644069 432853042 /nfs/dbraw/zinc/85/30/42/432853042.db2.gz FFESWHLGOBAHRX-SUMWQHHRSA-N 1 1 320.864 3.494 10 10 DGCEMO [O-]c1c(Cl)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245644069 432853045 /nfs/dbraw/zinc/85/30/45/432853045.db2.gz FFESWHLGOBAHRX-SUMWQHHRSA-N 1 1 320.864 3.494 10 10 DGCEMO Oc1ccc(F)cc1C[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000184443658 534454725 /nfs/dbraw/zinc/45/47/25/534454725.db2.gz MNGANHHGEWJMQM-UHFFFAOYSA-N 1 1 309.344 3.278 10 10 DGCEMO CCOc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000093636934 521147886 /nfs/dbraw/zinc/14/78/86/521147886.db2.gz IENHRFKWBZUGPJ-SJORKVTESA-N 1 1 318.461 3.238 10 10 DGCEMO COc1ccc(O)c(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000180021832 524744213 /nfs/dbraw/zinc/74/42/13/524744213.db2.gz FIMHPVSPNJSPDG-LIRRHRJNSA-N 1 1 313.397 3.363 10 10 DGCEMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1O ZINC000180331697 524867168 /nfs/dbraw/zinc/86/71/68/524867168.db2.gz OZBITVGYLFRLFF-LBPRGKRZSA-N 1 1 305.809 3.077 10 10 DGCEMO Cc1csc([C@H]2C[N@H+](Cc3cccc(C)c3O)CCO2)n1 ZINC000179974843 526445608 /nfs/dbraw/zinc/44/56/08/526445608.db2.gz HTSGMZDAKMTGBC-CQSZACIVSA-N 1 1 304.415 3.039 10 10 DGCEMO Cc1csc([C@H]2C[N@@H+](Cc3cccc(C)c3O)CCO2)n1 ZINC000179974843 526445612 /nfs/dbraw/zinc/44/56/12/526445612.db2.gz HTSGMZDAKMTGBC-CQSZACIVSA-N 1 1 304.415 3.039 10 10 DGCEMO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185685078 528331800 /nfs/dbraw/zinc/33/18/00/528331800.db2.gz XGOYGJCEVKYLHE-RISCZKNCSA-N 1 1 318.396 3.432 10 10 DGCEMO Cc1cc(C[N@@H+](C)CC(=O)NC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000111889510 620767479 /nfs/dbraw/zinc/76/74/79/620767479.db2.gz FNCIGZKMQFDHSJ-UHFFFAOYSA-N 1 1 320.477 3.345 10 10 DGCEMO CO[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[C@H]1C ZINC000707138786 660888725 /nfs/dbraw/zinc/88/87/25/660888725.db2.gz HFJUOGGRWKFGKI-QMTHXVAHSA-N 1 1 314.223 3.012 10 10 DGCEMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2Cn2ccnc2)c1O ZINC000188420563 655690794 /nfs/dbraw/zinc/69/07/94/655690794.db2.gz FHKASRIIABWICC-HNNXBMFYSA-N 1 1 305.809 3.215 10 10 DGCEMO Cc1cc(O)c(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1C ZINC000176168535 655739671 /nfs/dbraw/zinc/73/96/71/655739671.db2.gz MWLNCQYNPFCKKY-AWEZNQCLSA-N 1 1 305.418 3.173 10 10 DGCEMO CC1(C)CO[C@H](C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000717395020 661263588 /nfs/dbraw/zinc/26/35/88/661263588.db2.gz NEVDENYGJIYUIJ-NSHDSACASA-N 1 1 314.223 3.059 10 10 DGCEMO CN(C(=O)Nc1ccc(N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310155937 656558912 /nfs/dbraw/zinc/55/89/12/656558912.db2.gz QDWZZWWCQVKIOK-SFHVURJKSA-N 1 1 324.428 3.007 10 10 DGCEMO CO[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC[C@H]1C ZINC000249959028 657442344 /nfs/dbraw/zinc/44/23/44/657442344.db2.gz WCZJDPAZHYLSRG-MLGOLLRUSA-N 1 1 307.434 3.252 10 10 DGCEMO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1O ZINC000164489088 658936574 /nfs/dbraw/zinc/93/65/74/658936574.db2.gz QSMYGRBDAYXAJX-MRXNPFEDSA-N 1 1 319.426 3.344 10 10 DGCEMO COc1cc(C)cc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1O ZINC000164489088 658936577 /nfs/dbraw/zinc/93/65/77/658936577.db2.gz QSMYGRBDAYXAJX-MRXNPFEDSA-N 1 1 319.426 3.344 10 10 DGCEMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OCO3)CC2(CCCC2)O1 ZINC000190463988 662033186 /nfs/dbraw/zinc/03/31/86/662033186.db2.gz SVXDYRKEBLMWSJ-UHFFFAOYSA-N 1 1 319.401 3.045 10 10 DGCEMO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H](c2ccc(F)cc2)O1 ZINC000179578639 432064316 /nfs/dbraw/zinc/06/43/16/432064316.db2.gz OQWSDWPCDTWDQZ-FZKQIMNGSA-N 1 1 301.361 3.493 10 10 DGCEMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000298225103 132051997 /nfs/dbraw/zinc/05/19/97/132051997.db2.gz GPVJPRPTACTATC-DZGCQCFKSA-N 1 1 313.319 3.211 10 10 DGCEMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000298225103 132051999 /nfs/dbraw/zinc/05/19/99/132051999.db2.gz GPVJPRPTACTATC-DZGCQCFKSA-N 1 1 313.319 3.211 10 10 DGCEMO CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000246796542 432166771 /nfs/dbraw/zinc/16/67/71/432166771.db2.gz QQROXWRHXDPXKM-ZBFHGGJFSA-N 1 1 315.417 3.071 10 10 DGCEMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000093865051 431918539 /nfs/dbraw/zinc/91/85/39/431918539.db2.gz LLORYWWBZQGODY-SFHVURJKSA-N 1 1 317.385 3.266 10 10 DGCEMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000093865051 431918542 /nfs/dbraw/zinc/91/85/42/431918542.db2.gz LLORYWWBZQGODY-SFHVURJKSA-N 1 1 317.385 3.266 10 10 DGCEMO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)cs1 ZINC000186857671 432632946 /nfs/dbraw/zinc/63/29/46/432632946.db2.gz GJVCOOUUVFVXQK-ZDUSSCGKSA-N 1 1 318.398 3.223 10 10 DGCEMO Cc1nc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)cs1 ZINC000186857671 432632949 /nfs/dbraw/zinc/63/29/49/432632949.db2.gz GJVCOOUUVFVXQK-ZDUSSCGKSA-N 1 1 318.398 3.223 10 10 DGCEMO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1O ZINC000228630470 432719786 /nfs/dbraw/zinc/71/97/86/432719786.db2.gz OHEMTXLBEIOJFJ-KGLIPLIRSA-N 1 1 311.809 3.198 10 10 DGCEMO COc1cc(Cl)cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1O ZINC000228630470 432719789 /nfs/dbraw/zinc/71/97/89/432719789.db2.gz OHEMTXLBEIOJFJ-KGLIPLIRSA-N 1 1 311.809 3.198 10 10 DGCEMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1O ZINC000528759674 340732662 /nfs/dbraw/zinc/73/26/62/340732662.db2.gz VFEXKFPYCRYCEW-KNSQEALPSA-N 1 1 311.809 3.150 10 10 DGCEMO Oc1ccc(F)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000180287049 526348746 /nfs/dbraw/zinc/34/87/46/526348746.db2.gz KLASXULQUTVEGO-XJKSGUPXSA-N 1 1 323.314 3.117 10 10 DGCEMO Oc1ccc(F)cc1C[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000180287049 526348750 /nfs/dbraw/zinc/34/87/50/526348750.db2.gz KLASXULQUTVEGO-XJKSGUPXSA-N 1 1 323.314 3.117 10 10 DGCEMO CCCN(CCC)c1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000154989614 620752818 /nfs/dbraw/zinc/75/28/18/620752818.db2.gz BUPMQMQYNUHVIM-KRWDZBQOSA-N 1 1 317.477 3.010 10 10 DGCEMO CO[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[C@H]1C ZINC000707138788 660888642 /nfs/dbraw/zinc/88/86/42/660888642.db2.gz HFJUOGGRWKFGKI-YGRLFVJLSA-N 1 1 314.223 3.012 10 10 DGCEMO Oc1c(F)cccc1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000716235595 660972464 /nfs/dbraw/zinc/97/24/64/660972464.db2.gz BBHZXAKUYOGAJK-UHFFFAOYSA-N 1 1 301.361 3.369 10 10 DGCEMO COc1cc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c(O)cc1C ZINC000160264307 655558260 /nfs/dbraw/zinc/55/82/60/655558260.db2.gz ZRWXVHDJJXPZPL-MRXNPFEDSA-N 1 1 315.417 3.051 10 10 DGCEMO COc1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(O)cc1C ZINC000179433437 655892831 /nfs/dbraw/zinc/89/28/31/655892831.db2.gz DAAXBQDTOMJCHV-GFCCVEGCSA-N 1 1 303.324 3.484 10 10 DGCEMO C[C@@H]([NH2+]Cc1cccc(Br)c1O)c1ccns1 ZINC000715945923 661216338 /nfs/dbraw/zinc/21/63/38/661216338.db2.gz UURCIDUIAVHNJR-MRVPVSSYSA-N 1 1 313.220 3.462 10 10 DGCEMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCC[NH2+]CC1 ZINC000231457859 659385288 /nfs/dbraw/zinc/38/52/88/659385288.db2.gz CUKIRBOVPQWYSQ-LBPRGKRZSA-N 1 1 303.233 3.273 10 10 DGCEMO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000182366208 660048065 /nfs/dbraw/zinc/04/80/65/660048065.db2.gz UESOAWWLFCCRLK-WDEREUQCSA-N 1 1 319.405 3.493 10 10 DGCEMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000182366224 660048248 /nfs/dbraw/zinc/04/82/48/660048248.db2.gz UESOAWWLFCCRLK-GHMZBOCLSA-N 1 1 319.405 3.493 10 10 DGCEMO CO[C@H]1C[N@H+](Cc2cccc(Br)c2O)CC[C@H]1C ZINC000188305440 661925287 /nfs/dbraw/zinc/92/52/87/661925287.db2.gz UMWGNGTUAXSBMV-MFKMUULPSA-N 1 1 314.223 3.012 10 10 DGCEMO CO[C@H]1C[N@@H+](Cc2cccc(Br)c2O)CC[C@H]1C ZINC000188305440 661925289 /nfs/dbraw/zinc/92/52/89/661925289.db2.gz UMWGNGTUAXSBMV-MFKMUULPSA-N 1 1 314.223 3.012 10 10 DGCEMO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nn(C)cc2Br)c1 ZINC000393355369 685216319 /nfs/dbraw/zinc/21/63/19/685216319.db2.gz OUYUHVHFGCWABP-JTQLQIEISA-N 1 1 324.222 3.047 10 10 DGCEMO C[C@@]1([NH2+]Cc2cccc(F)c2O)CCN(Cc2ccccc2)C1 ZINC000405973318 1199601661 /nfs/dbraw/zinc/60/16/61/1199601661.db2.gz 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Cc1cc(C)c(O)c(C[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000164390008 658930562 /nfs/dbraw/zinc/93/05/62/658930562.db2.gz MLLSKMHRBQZZTF-UHFFFAOYSA-N 1 1 313.445 3.424 10 10 DGCEMO COc1cc(C)cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1O ZINC000164436648 658934247 /nfs/dbraw/zinc/93/42/47/658934247.db2.gz IGHPIFYUNKWYQT-SJORKVTESA-N 1 1 318.461 3.156 10 10 DGCEMO COc1cc(C)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1O ZINC000164436648 658934254 /nfs/dbraw/zinc/93/42/54/658934254.db2.gz IGHPIFYUNKWYQT-SJORKVTESA-N 1 1 318.461 3.156 10 10 DGCEMO COc1cc(C)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1O ZINC000164436648 658934255 /nfs/dbraw/zinc/93/42/55/658934255.db2.gz IGHPIFYUNKWYQT-SJORKVTESA-N 1 1 318.461 3.156 10 10 DGCEMO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000226609558 659126889 /nfs/dbraw/zinc/12/68/89/659126889.db2.gz GBCPVIZTECPUEJ-CYBMUJFWSA-N 1 1 324.396 3.020 10 10 DGCEMO COc1cccc(C[N@@H+](CCc2nccs2)C(C)C)c1O ZINC000093764274 662359478 /nfs/dbraw/zinc/35/94/78/662359478.db2.gz VCBUFAKUNVLHDG-UHFFFAOYSA-N 1 1 306.431 3.310 10 10 DGCEMO Oc1ccc(Br)cc1C[NH2+][C@H]1CCCC1(F)F ZINC000397934269 685232964 /nfs/dbraw/zinc/23/29/64/685232964.db2.gz CWWBABJCPLNZCT-NSHDSACASA-N 1 1 306.150 3.432 10 10 DGCEMO Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000191425909 282216654 /nfs/dbraw/zinc/21/66/54/282216654.db2.gz DDXWXSKCBQXXPP-GFCCVEGCSA-N 1 1 323.799 3.354 10 10 DGCEMO Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000191425909 282216659 /nfs/dbraw/zinc/21/66/59/282216659.db2.gz DDXWXSKCBQXXPP-GFCCVEGCSA-N 1 1 323.799 3.354 10 10 DGCEMO Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000180615076 282216906 /nfs/dbraw/zinc/21/69/06/282216906.db2.gz RKXUAKBHPSUWJO-CQSZACIVSA-N 1 1 305.809 3.215 10 10 DGCEMO Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000180615076 282216909 /nfs/dbraw/zinc/21/69/09/282216909.db2.gz RKXUAKBHPSUWJO-CQSZACIVSA-N 1 1 305.809 3.215 10 10 DGCEMO CN(C)c1ccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000092812383 185343206 /nfs/dbraw/zinc/34/32/06/185343206.db2.gz CNNFCYVUAMLNRK-QGZVFWFLSA-N 1 1 310.445 3.082 10 10 DGCEMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246086629 432093586 /nfs/dbraw/zinc/09/35/86/432093586.db2.gz IHJVOQNQAQSWPK-MAUKXSAKSA-N 1 1 300.446 3.149 10 10 DGCEMO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246086629 432093591 /nfs/dbraw/zinc/09/35/91/432093591.db2.gz IHJVOQNQAQSWPK-MAUKXSAKSA-N 1 1 300.446 3.149 10 10 DGCEMO Oc1c(C[NH+]2CCCC2)cc(Br)c2cccnc12 ZINC000020075886 182185506 /nfs/dbraw/zinc/18/55/06/182185506.db2.gz FPVYUXXOQJWEAY-UHFFFAOYSA-N 1 1 307.191 3.299 10 10 DGCEMO COc1cc(OC)cc([C@H]2CC[N@@H+](Cc3ccccc3O)C2)c1 ZINC000179583510 533088117 /nfs/dbraw/zinc/08/81/17/533088117.db2.gz HJWLLIOGSFHPBH-AWEZNQCLSA-N 1 1 313.397 3.399 10 10 DGCEMO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(N(C)C)cc1 ZINC000130886846 533509788 /nfs/dbraw/zinc/50/97/88/533509788.db2.gz RVORDTJWYFMRPH-KGLIPLIRSA-N 1 1 313.449 3.092 10 10 DGCEMO C[N@@H+](CCSc1ccc(N)cc1)CCc1ccc(N)cc1 ZINC000034334388 400385016 /nfs/dbraw/zinc/38/50/16/400385016.db2.gz MPWAFEDFUZVCRL-UHFFFAOYSA-N 1 1 301.459 3.118 10 10 DGCEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000180126086 228355084 /nfs/dbraw/zinc/35/50/84/228355084.db2.gz OXZFRHZNKPUHAM-OAHLLOKOSA-N 1 1 305.809 3.215 10 10 DGCEMO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000093457495 431915386 /nfs/dbraw/zinc/91/53/86/431915386.db2.gz WKVIXPKUMNBQBF-LJQANCHMSA-N 1 1 312.413 3.032 10 10 DGCEMO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000093457495 431915389 /nfs/dbraw/zinc/91/53/89/431915389.db2.gz WKVIXPKUMNBQBF-LJQANCHMSA-N 1 1 312.413 3.032 10 10 DGCEMO Cc1cc(O)c(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1C ZINC000152230512 432315292 /nfs/dbraw/zinc/31/52/92/432315292.db2.gz LATVHSYINPNLDD-HNNXBMFYSA-N 1 1 304.415 3.039 10 10 DGCEMO Cc1cc(O)c(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1C ZINC000152230512 432315295 /nfs/dbraw/zinc/31/52/95/432315295.db2.gz LATVHSYINPNLDD-HNNXBMFYSA-N 1 1 304.415 3.039 10 10 DGCEMO Oc1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1nccs1)OCO2 ZINC000195303216 432617107 /nfs/dbraw/zinc/61/71/07/432617107.db2.gz OYAHZRCRSDBDRD-LBPRGKRZSA-N 1 1 318.398 3.305 10 10 DGCEMO Oc1cc2c(cc1C[N@H+]1CCCC[C@H]1c1nccs1)OCO2 ZINC000195303216 432617110 /nfs/dbraw/zinc/61/71/10/432617110.db2.gz OYAHZRCRSDBDRD-LBPRGKRZSA-N 1 1 318.398 3.305 10 10 DGCEMO COc1cc(O)c(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1OC ZINC000245537330 432839849 /nfs/dbraw/zinc/83/98/49/432839849.db2.gz IVZFWFNBTRBSSD-CXAGYDPISA-N 1 1 323.458 3.269 10 10 DGCEMO c1coc(C2=CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000367688823 434554672 /nfs/dbraw/zinc/55/46/72/434554672.db2.gz SRSVPKLBDOJMMO-UHFFFAOYSA-N 1 1 324.424 3.406 10 10 DGCEMO COc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000180545292 524740313 /nfs/dbraw/zinc/74/03/13/524740313.db2.gz LBHFOSONUSBWHQ-INIZCTEOSA-N 1 1 305.399 3.036 10 10 DGCEMO COc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000180545292 524740338 /nfs/dbraw/zinc/74/03/38/524740338.db2.gz LBHFOSONUSBWHQ-INIZCTEOSA-N 1 1 305.399 3.036 10 10 DGCEMO Cn1cc([C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)cn1 ZINC000128374088 527319902 /nfs/dbraw/zinc/31/99/02/527319902.db2.gz MTLNIOFMWFIOCB-SFHVURJKSA-N 1 1 324.472 3.400 10 10 DGCEMO CC[N@H+](CC(=O)OC)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000728708980 576196642 /nfs/dbraw/zinc/19/66/42/576196642.db2.gz LLQMKEAOKDPDJP-UHFFFAOYSA-N 1 1 317.385 3.012 10 10 DGCEMO CC[N@@H+](CC(=O)OC)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000728708980 576196643 /nfs/dbraw/zinc/19/66/43/576196643.db2.gz LLQMKEAOKDPDJP-UHFFFAOYSA-N 1 1 317.385 3.012 10 10 DGCEMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000176170068 655745004 /nfs/dbraw/zinc/74/50/04/655745004.db2.gz TWUMMCAZPBRCLN-HNNXBMFYSA-N 1 1 317.429 3.045 10 10 DGCEMO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000195324451 662185171 /nfs/dbraw/zinc/18/51/71/662185171.db2.gz YBFMQYFEHPZEKX-LJQANCHMSA-N 1 1 323.440 3.014 10 10 DGCEMO CCN(CC)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000093644964 662358449 /nfs/dbraw/zinc/35/84/49/662358449.db2.gz HMGFFUAQGIHZGW-APWZRJJASA-N 1 1 303.494 3.447 10 10 DGCEMO CCN(CC)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000093644964 662358453 /nfs/dbraw/zinc/35/84/53/662358453.db2.gz HMGFFUAQGIHZGW-APWZRJJASA-N 1 1 303.494 3.447 10 10 DGCEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3O)C2)no1 ZINC000103135118 432003941 /nfs/dbraw/zinc/00/39/41/432003941.db2.gz NGNJBDTYTPOERZ-HNNXBMFYSA-N 1 1 315.417 3.155 10 10 DGCEMO COc1cccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1O ZINC000092594435 185328418 /nfs/dbraw/zinc/32/84/18/185328418.db2.gz NUUKOEWCJMWNLL-AWEZNQCLSA-N 1 1 305.399 3.036 10 10 DGCEMO COc1cccc(C[N@H+]2CCO[C@H](c3cccs3)C2)c1O ZINC000092594435 185328419 /nfs/dbraw/zinc/32/84/19/185328419.db2.gz NUUKOEWCJMWNLL-AWEZNQCLSA-N 1 1 305.399 3.036 10 10 DGCEMO Oc1cc(Br)cc(Br)c1[C@H]1CCC[NH2+]1 ZINC000238727212 400998934 /nfs/dbraw/zinc/99/89/34/400998934.db2.gz PNUBNUVJUABDPE-MRVPVSSYSA-N 1 1 321.012 3.342 10 10 DGCEMO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nnc2n1CCCC2 ZINC000130887058 287051011 /nfs/dbraw/zinc/05/10/11/287051011.db2.gz RVORDTJWYFMRPH-UONOGXRCSA-N 1 1 313.449 3.092 10 10 DGCEMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179554851 228352726 /nfs/dbraw/zinc/35/27/26/228352726.db2.gz LRLIWSYRPOJTEO-INIZCTEOSA-N 1 1 310.397 3.243 10 10 DGCEMO Cc1cc(Cl)cc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1O ZINC000179982133 228354347 /nfs/dbraw/zinc/35/43/47/228354347.db2.gz CXJNTVRTCVGARA-UHFFFAOYSA-N 1 1 305.809 3.457 10 10 DGCEMO COc1ccc(O)c(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000180021999 274114831 /nfs/dbraw/zinc/11/48/31/274114831.db2.gz FIMHPVSPNJSPDG-IFXJQAMLSA-N 1 1 313.397 3.363 10 10 DGCEMO CCOc1cccc(C[N@@H+]2CCCC[C@@H](N3CCCC3)C2)c1O ZINC000092785656 276379688 /nfs/dbraw/zinc/37/96/88/276379688.db2.gz GWEPRZZJEHDDSB-QGZVFWFLSA-N 1 1 318.461 3.241 10 10 DGCEMO CCOc1cccc(C[N@H+]2CCCC[C@@H](N3CCCC3)C2)c1O ZINC000092785656 276379690 /nfs/dbraw/zinc/37/96/90/276379690.db2.gz GWEPRZZJEHDDSB-QGZVFWFLSA-N 1 1 318.461 3.241 10 10 DGCEMO c1coc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000093335162 431914815 /nfs/dbraw/zinc/91/48/15/431914815.db2.gz PHBZYJHMMHWQFF-SFHVURJKSA-N 1 1 312.413 3.453 10 10 DGCEMO C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccccc1O ZINC000183514631 432298372 /nfs/dbraw/zinc/29/83/72/432298372.db2.gz BOWVRNREHMPCQK-CYBMUJFWSA-N 1 1 302.393 3.444 10 10 DGCEMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000191407037 432262520 /nfs/dbraw/zinc/26/25/20/432262520.db2.gz MCAPARDTJKRNEH-LBPRGKRZSA-N 1 1 322.767 3.233 10 10 DGCEMO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000245638703 432851799 /nfs/dbraw/zinc/85/17/99/432851799.db2.gz CUKNEOWBLWULIO-PXAZEXFGSA-N 1 1 319.426 3.424 10 10 DGCEMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000245638703 432851801 /nfs/dbraw/zinc/85/18/01/432851801.db2.gz CUKNEOWBLWULIO-PXAZEXFGSA-N 1 1 319.426 3.424 10 10 DGCEMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCC12CCOCC2 ZINC000370083095 434607324 /nfs/dbraw/zinc/60/73/24/434607324.db2.gz PKRGCGNWIHKFRT-UHFFFAOYSA-N 1 1 300.446 3.432 10 10 DGCEMO [O-]c1ccc(Cl)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134037015 626851113 /nfs/dbraw/zinc/85/11/13/626851113.db2.gz DHKBDHDESDGIHO-UHFFFAOYSA-N 1 1 308.853 3.353 10 10 DGCEMO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185559177 660229588 /nfs/dbraw/zinc/22/95/88/660229588.db2.gz JOTMTHLCKODSCR-GHMZBOCLSA-N 1 1 305.397 3.163 10 10 DGCEMO C[C@H]([NH2+]Cc1cccc(Br)c1O)c1ccns1 ZINC000715945925 661216349 /nfs/dbraw/zinc/21/63/49/661216349.db2.gz UURCIDUIAVHNJR-QMMMGPOBSA-N 1 1 313.220 3.462 10 10 DGCEMO [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312787109 656210486 /nfs/dbraw/zinc/21/04/86/656210486.db2.gz IMPMJBBWVCGCRE-PHIMTYICSA-N 1 1 315.244 3.130 10 10 DGCEMO COc1ccc(O)c(C[N@@H+](C)CCOc2ccc(C)cc2)c1 ZINC000179620070 659935663 /nfs/dbraw/zinc/93/56/63/659935663.db2.gz VVPNYLZOEQWCGO-UHFFFAOYSA-N 1 1 301.386 3.220 10 10 DGCEMO COc1ccc(O)c(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000191225994 662057147 /nfs/dbraw/zinc/05/71/47/662057147.db2.gz GMPDNMUKNLYYEU-UHFFFAOYSA-N 1 1 305.418 3.324 10 10 DGCEMO COc1cccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1O ZINC000093666030 662357986 /nfs/dbraw/zinc/35/79/86/662357986.db2.gz LHWLAFMORLUIHR-MRXNPFEDSA-N 1 1 305.418 3.324 10 10 DGCEMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCSC2)c1 ZINC000381563064 685157459 /nfs/dbraw/zinc/15/74/59/685157459.db2.gz RXULGDGVUVWJLR-JTQLQIEISA-N 1 1 302.237 3.058 10 10 DGCEMO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cccc(F)c2O)CCC1 ZINC000230392387 1202598084 /nfs/dbraw/zinc/59/80/84/1202598084.db2.gz FUJYCSRAYDDSLL-UHFFFAOYSA-N 1 1 324.396 3.068 10 10 DGCEMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCCOC1 ZINC000402708134 1082167985 /nfs/dbraw/zinc/16/79/85/1082167985.db2.gz BMWIUBSNFIZVCR-ZDUSSCGKSA-N 1 1 314.223 3.156 10 10 DGCEMO Cc1csc([C@H]2C[N@H+](Cc3cc(C)ccc3O)CCO2)n1 ZINC000092790243 185341535 /nfs/dbraw/zinc/34/15/35/185341535.db2.gz JBHIKFCEDDQJFU-OAHLLOKOSA-N 1 1 304.415 3.039 10 10 DGCEMO Cc1csc([C@H]2C[N@@H+](Cc3cc(C)ccc3O)CCO2)n1 ZINC000092790243 185341536 /nfs/dbraw/zinc/34/15/36/185341536.db2.gz JBHIKFCEDDQJFU-OAHLLOKOSA-N 1 1 304.415 3.039 10 10 DGCEMO Oc1ccc(Cl)c(F)c1CN1CCC([NH+]2CCCC2)CC1 ZINC000191216383 432235494 /nfs/dbraw/zinc/23/54/94/432235494.db2.gz GSUUCYNVSGYFKP-UHFFFAOYSA-N 1 1 312.816 3.245 10 10 DGCEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000122724517 431842849 /nfs/dbraw/zinc/84/28/49/431842849.db2.gz UXRJQUVTPQNCQC-SFHVURJKSA-N 1 1 312.461 3.440 10 10 DGCEMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000123086669 431853986 /nfs/dbraw/zinc/85/39/86/431853986.db2.gz RZEPLHNFGKTZAL-INIZCTEOSA-N 1 1 315.417 3.133 10 10 DGCEMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768584 431918001 /nfs/dbraw/zinc/91/80/01/431918001.db2.gz HBYNRJUVRIAOOK-KRWDZBQOSA-N 1 1 319.426 3.426 10 10 DGCEMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768584 431918003 /nfs/dbraw/zinc/91/80/03/431918003.db2.gz HBYNRJUVRIAOOK-KRWDZBQOSA-N 1 1 319.426 3.426 10 10 DGCEMO C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccccc1O ZINC000183514612 432298830 /nfs/dbraw/zinc/29/88/30/432298830.db2.gz BOWVRNREHMPCQK-ZDUSSCGKSA-N 1 1 302.393 3.444 10 10 DGCEMO C[C@@H]([NH2+]Cc1ccnn1C)c1cc(Cl)c(Cl)cc1O ZINC000192657515 432396627 /nfs/dbraw/zinc/39/66/27/432396627.db2.gz MWBAENWTGMXZGD-MRVPVSSYSA-N 1 1 300.189 3.283 10 10 DGCEMO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(F)cc1O ZINC000186031547 432554348 /nfs/dbraw/zinc/55/43/48/432554348.db2.gz CICUORWBNLROQK-NSHDSACASA-N 1 1 322.405 3.064 10 10 DGCEMO COc1cccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1O ZINC000185865331 432539988 /nfs/dbraw/zinc/53/99/88/432539988.db2.gz WDEQLZXOEMZQMC-UHFFFAOYSA-N 1 1 321.380 3.148 10 10 DGCEMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccco2)cc1OC ZINC000160206731 432710473 /nfs/dbraw/zinc/71/04/73/432710473.db2.gz YSZNHBHZXBEUME-CYBMUJFWSA-N 1 1 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c1cc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)cc2c1OCC2 ZINC000527751122 435014266 /nfs/dbraw/zinc/01/42/66/435014266.db2.gz HJVAWGOFLYIULC-SFHVURJKSA-N 1 1 300.446 3.118 10 10 DGCEMO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1nnc2n1CCCC2 ZINC000185585149 533975735 /nfs/dbraw/zinc/97/57/35/533975735.db2.gz ILQHPGRIMHSUNH-QWRGUYRKSA-N 1 1 320.824 3.385 10 10 DGCEMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2noc3c2CCCC3)c1 ZINC000182412769 524765471 /nfs/dbraw/zinc/76/54/71/524765471.db2.gz OLLNYJSAVSSUFS-LLVKDONJSA-N 1 1 302.374 3.118 10 10 DGCEMO CCc1cc(C[N@H+](CC)CC(=O)OC)c(O)c(C(C)(C)C)c1 ZINC000728709522 576196673 /nfs/dbraw/zinc/19/66/73/576196673.db2.gz YGHSMRNLEWKTBS-UHFFFAOYSA-N 1 1 307.434 3.247 10 10 DGCEMO CCc1cc(C[N@@H+](CC)CC(=O)OC)c(O)c(C(C)(C)C)c1 ZINC000728709522 576196674 /nfs/dbraw/zinc/19/66/74/576196674.db2.gz YGHSMRNLEWKTBS-UHFFFAOYSA-N 1 1 307.434 3.247 10 10 DGCEMO COc1ccc2ccc(O)c(C[N@@H+](C)C[C@@H]3CCCO3)c2c1 ZINC000151740867 620472222 /nfs/dbraw/zinc/47/22/22/620472222.db2.gz YHDBGMSNMUTOMI-HNNXBMFYSA-N 1 1 301.386 3.165 10 10 DGCEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc4c(cc3O)CCC4)C2)c1 ZINC000152935182 620529013 /nfs/dbraw/zinc/52/90/13/620529013.db2.gz NQUZDVXURQLCPI-GOSISDBHSA-N 1 1 311.429 3.223 10 10 DGCEMO COc1cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c(O)cc1C ZINC000160413712 655631015 /nfs/dbraw/zinc/63/10/15/655631015.db2.gz ISHZYHMEQUWLRD-MRXNPFEDSA-N 1 1 319.426 3.344 10 10 DGCEMO COc1cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c(O)cc1C ZINC000160413712 655631017 /nfs/dbraw/zinc/63/10/17/655631017.db2.gz ISHZYHMEQUWLRD-MRXNPFEDSA-N 1 1 319.426 3.344 10 10 DGCEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cc(C)cc(C)c3O)C2)no1 ZINC000164285796 657301113 /nfs/dbraw/zinc/30/11/13/657301113.db2.gz BMMBZOWERZCKGB-HNNXBMFYSA-N 1 1 315.417 3.155 10 10 DGCEMO COc1cc(C)cc(C[N@@H+](C)CCc2ncc(C)s2)c1O ZINC000165185974 658969829 /nfs/dbraw/zinc/96/98/29/658969829.db2.gz BGBXDKNDKTVKEV-UHFFFAOYSA-N 1 1 306.431 3.149 10 10 DGCEMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000180218056 659955906 /nfs/dbraw/zinc/95/59/06/659955906.db2.gz QRXSHMWOIAZCMZ-CQSZACIVSA-N 1 1 324.396 3.020 10 10 DGCEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000156074521 661857793 /nfs/dbraw/zinc/85/77/93/661857793.db2.gz JETXGHBMIWWGAU-ZWNOBZJWSA-N 1 1 315.244 3.368 10 10 DGCEMO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000195324459 662185163 /nfs/dbraw/zinc/18/51/63/662185163.db2.gz YBFMQYFEHPZEKX-IBGZPJMESA-N 1 1 323.440 3.014 10 10 DGCEMO Cc1ccc([C@H](C)[NH2+]Cc2nn(C)cc2Br)c(O)c1 ZINC000393354663 685216391 /nfs/dbraw/zinc/21/63/91/685216391.db2.gz KSBZODPXEZYXRX-JTQLQIEISA-N 1 1 324.222 3.047 10 10 DGCEMO Cc1cnccc1C[NH2+]Cc1cccc(Br)c1O ZINC000228657371 1201141078 /nfs/dbraw/zinc/14/10/78/1201141078.db2.gz RKGKSHTVWFQTBJ-UHFFFAOYSA-N 1 1 307.191 3.148 10 10 DGCEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000167772337 432066790 /nfs/dbraw/zinc/06/67/90/432066790.db2.gz CTVDATPNZADUOP-BBRMVZONSA-N 1 1 313.449 3.092 10 10 DGCEMO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccc(F)cc1O ZINC000170788915 432081810 /nfs/dbraw/zinc/08/18/10/432081810.db2.gz VVBLAEKWJILUHQ-CXAGYDPISA-N 1 1 302.393 3.485 10 10 DGCEMO C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(F)cc1O ZINC000185878195 228399756 /nfs/dbraw/zinc/39/97/56/228399756.db2.gz DDBQAOSNCSMHPW-ABAIWWIYSA-N 1 1 314.360 3.308 10 10 DGCEMO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1O ZINC000093768340 431916634 /nfs/dbraw/zinc/91/66/34/431916634.db2.gz RLNSGULKCYGMDS-MRXNPFEDSA-N 1 1 319.426 3.426 10 10 DGCEMO CCOc1cccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1O ZINC000093768340 431916637 /nfs/dbraw/zinc/91/66/37/431916637.db2.gz RLNSGULKCYGMDS-MRXNPFEDSA-N 1 1 319.426 3.426 10 10 DGCEMO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)cc1O ZINC000248529448 432298769 /nfs/dbraw/zinc/29/87/69/432298769.db2.gz WUJKBQBVWXWIRB-RBOXIYTFSA-N 1 1 311.422 3.237 10 10 DGCEMO COc1cccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)c1O ZINC000245756751 432861028 /nfs/dbraw/zinc/86/10/28/432861028.db2.gz OTYIEMASGWWVBW-RHSMWYFYSA-N 1 1 313.397 3.363 10 10 DGCEMO COc1cccc(C[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)c1O ZINC000245756751 432861030 /nfs/dbraw/zinc/86/10/30/432861030.db2.gz OTYIEMASGWWVBW-RHSMWYFYSA-N 1 1 313.397 3.363 10 10 DGCEMO CN(C)c1ccc(/C=C\C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000033848668 620769789 /nfs/dbraw/zinc/76/97/89/620769789.db2.gz CVLYLTKTMXXSRX-TWGQIWQCSA-N 1 1 310.441 3.260 10 10 DGCEMO CC(C)[N@@H+](CCc1nccs1)Cc1cc2c(cc1O)OCO2 ZINC000151546973 620458414 /nfs/dbraw/zinc/45/84/14/620458414.db2.gz KNSFYAOQLFPBFL-UHFFFAOYSA-N 1 1 320.414 3.031 10 10 DGCEMO COc1cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c(O)cc1C ZINC000160413568 655630542 /nfs/dbraw/zinc/63/05/42/655630542.db2.gz ISHZYHMEQUWLRD-INIZCTEOSA-N 1 1 319.426 3.344 10 10 DGCEMO COc1cc(C[N@H+]2CCO[C@H](c3cccs3)C2)c(O)cc1C ZINC000160413568 655630543 /nfs/dbraw/zinc/63/05/43/655630543.db2.gz ISHZYHMEQUWLRD-INIZCTEOSA-N 1 1 319.426 3.344 10 10 DGCEMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](C)[C@H](OC)C3)c2c1 ZINC000249968637 657441964 /nfs/dbraw/zinc/44/19/64/657441964.db2.gz XICPVVLCPDKUTQ-ORAYPTAESA-N 1 1 315.413 3.411 10 10 DGCEMO CN(C)[C@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000170842935 659925483 /nfs/dbraw/zinc/92/54/83/659925483.db2.gz FSONDRLSPITNRV-ZDUSSCGKSA-N 1 1 314.429 3.153 10 10 DGCEMO C[NH+](C)[C@H]1CCN(Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000170842935 659925485 /nfs/dbraw/zinc/92/54/85/659925485.db2.gz FSONDRLSPITNRV-ZDUSSCGKSA-N 1 1 314.429 3.153 10 10 DGCEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000246993977 662295814 /nfs/dbraw/zinc/29/58/14/662295814.db2.gz IBHIDJAIQMAYEV-CJNGLKHVSA-N 1 1 318.461 3.064 10 10 DGCEMO Cc1cc(O)c(C[N@H+]2CCCC[C@H](N3CCCC3)C2)cc1C ZINC000092785629 662335644 /nfs/dbraw/zinc/33/56/44/662335644.db2.gz UVQBPHKTASKWFD-SFHVURJKSA-N 1 1 302.462 3.459 10 10 DGCEMO Cc1cc(O)c(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc1C ZINC000092785629 662335645 /nfs/dbraw/zinc/33/56/45/662335645.db2.gz UVQBPHKTASKWFD-SFHVURJKSA-N 1 1 302.462 3.459 10 10 DGCEMO c1ccc2c(c1)CC[N@@H+](CCC[NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000097497815 1199140064 /nfs/dbraw/zinc/14/00/64/1199140064.db2.gz ZRTIGNSKYPCIAR-UHFFFAOYSA-N 1 1 322.452 3.160 10 10 DGCEMO c1ccc2c(c1)CC[N@H+](CCC[NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000097497815 1199140073 /nfs/dbraw/zinc/14/00/73/1199140073.db2.gz ZRTIGNSKYPCIAR-UHFFFAOYSA-N 1 1 322.452 3.160 10 10 DGCEMO CSC[C@H](C)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000134750483 1201203381 /nfs/dbraw/zinc/20/33/81/1201203381.db2.gz KOZVZLIKTWGVRI-VIFPVBQESA-N 1 1 304.253 3.304 10 10 DGCEMO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246086637 432093332 /nfs/dbraw/zinc/09/33/32/432093332.db2.gz IHJVOQNQAQSWPK-YJBOKZPZSA-N 1 1 300.446 3.149 10 10 DGCEMO Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246086637 432093336 /nfs/dbraw/zinc/09/33/36/432093336.db2.gz IHJVOQNQAQSWPK-YJBOKZPZSA-N 1 1 300.446 3.149 10 10 DGCEMO CN(C)c1ccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000190291499 432139902 /nfs/dbraw/zinc/13/99/02/432139902.db2.gz VWQFOJBOABFWHY-WMZOPIPTSA-N 1 1 316.470 3.022 10 10 DGCEMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000180053184 228354035 /nfs/dbraw/zinc/35/40/35/228354035.db2.gz MKFNQUPOWQGQNG-OAHLLOKOSA-N 1 1 305.809 3.425 10 10 DGCEMO CCCOc1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(O)c1 ZINC000121256210 431762295 /nfs/dbraw/zinc/76/22/95/431762295.db2.gz WBEWWEBLCBSPSW-CQSZACIVSA-N 1 1 315.417 3.284 10 10 DGCEMO CCCOc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)c(O)c1 ZINC000092810926 431911552 /nfs/dbraw/zinc/91/15/52/431911552.db2.gz VUCMAWPTLYMBBV-UHFFFAOYSA-N 1 1 315.417 3.284 10 10 DGCEMO COc1cccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c1O ZINC000092788819 431912161 /nfs/dbraw/zinc/91/21/61/431912161.db2.gz UQIWHXFNXCPOCN-ZDUSSCGKSA-N 1 1 304.415 3.237 10 10 DGCEMO CCOc1cccc(C[N@@H+]2CCO[C@H](c3ccc(C)o3)C2)c1O ZINC000093864809 431918758 /nfs/dbraw/zinc/91/87/58/431918758.db2.gz TZPCCMWHTJOBNY-KRWDZBQOSA-N 1 1 317.385 3.266 10 10 DGCEMO CCOc1cccc(C[N@H+]2CCO[C@H](c3ccc(C)o3)C2)c1O ZINC000093864809 431918761 /nfs/dbraw/zinc/91/87/61/431918761.db2.gz TZPCCMWHTJOBNY-KRWDZBQOSA-N 1 1 317.385 3.266 10 10 DGCEMO COc1ccc(O)c(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1 ZINC000245638712 432851463 /nfs/dbraw/zinc/85/14/63/432851463.db2.gz CUKNEOWBLWULIO-SJCJKPOMSA-N 1 1 319.426 3.424 10 10 DGCEMO COc1ccc(O)c(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1 ZINC000245638712 432851466 /nfs/dbraw/zinc/85/14/66/432851466.db2.gz CUKNEOWBLWULIO-SJCJKPOMSA-N 1 1 319.426 3.424 10 10 DGCEMO CC[N@@H+](CCc1nccs1)Cc1cc(F)cc(C(C)=O)c1O ZINC000159419816 521179712 /nfs/dbraw/zinc/17/97/12/521179712.db2.gz GAMCCZLPEPVPNN-UHFFFAOYSA-N 1 1 322.405 3.255 10 10 DGCEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cc4c(cc3O)CCC4)C2)c1 ZINC000152935298 620528840 /nfs/dbraw/zinc/52/88/40/620528840.db2.gz NQUZDVXURQLCPI-SFHVURJKSA-N 1 1 311.429 3.223 10 10 DGCEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000153247658 620543781 /nfs/dbraw/zinc/54/37/81/620543781.db2.gz IBHIDJAIQMAYEV-XJKSGUPXSA-N 1 1 318.461 3.064 10 10 DGCEMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000131074278 625938013 /nfs/dbraw/zinc/93/80/13/625938013.db2.gz FLYXAYQAWKTGSU-HNNXBMFYSA-N 1 1 300.402 3.309 10 10 DGCEMO C[C@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1ccc(F)cc1O ZINC000185091519 660201425 /nfs/dbraw/zinc/20/14/25/660201425.db2.gz MKDPNEWOXUGGIG-YOEHRIQHSA-N 1 1 316.420 3.355 10 10 DGCEMO CCOc1ccccc1C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000054550887 660407516 /nfs/dbraw/zinc/40/75/16/660407516.db2.gz AKYMXDHKJFZFNY-UHFFFAOYSA-N 1 1 315.369 3.152 10 10 DGCEMO CC(C)(C)OCC[NH2+]Cc1cccc(Br)c1O ZINC000308717089 655711298 /nfs/dbraw/zinc/71/12/98/655711298.db2.gz BSTKQYYKVCJXPO-UHFFFAOYSA-N 1 1 302.212 3.059 10 10 DGCEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000245888794 659956883 /nfs/dbraw/zinc/95/68/83/659956883.db2.gz JETXGHBMIWWGAU-MFKMUULPSA-N 1 1 315.244 3.368 10 10 DGCEMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CCCOC1 ZINC000402708132 1082167954 /nfs/dbraw/zinc/16/79/54/1082167954.db2.gz BMWIUBSNFIZVCR-CYBMUJFWSA-N 1 1 314.223 3.156 10 10 DGCEMO Oc1cc(Br)cc(Br)c1[C@@H]1CCC[NH2+]1 ZINC000238727208 400999130 /nfs/dbraw/zinc/99/91/30/400999130.db2.gz PNUBNUVJUABDPE-QMMMGPOBSA-N 1 1 321.012 3.342 10 10 DGCEMO Oc1cccc([C@H]2CN(Cc3cccc(Cl)c3O)CCO2)c1 ZINC000180285146 228355794 /nfs/dbraw/zinc/35/57/94/228355794.db2.gz DBQPWYFUMYHVBI-MRXNPFEDSA-N 1 1 319.788 3.325 10 10 DGCEMO C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccc(F)cc1O ZINC000185878133 432541108 /nfs/dbraw/zinc/54/11/08/432541108.db2.gz DDBQAOSNCSMHPW-XHDPSFHLSA-N 1 1 314.360 3.308 10 10 DGCEMO CCCOc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c(O)c1 ZINC000245707356 432858298 /nfs/dbraw/zinc/85/82/98/432858298.db2.gz FGWCLHMTEHWYBV-YJBOKZPZSA-N 1 1 305.418 3.182 10 10 DGCEMO Cc1csc([C@@H]2C[N@@H+](Cc3cccc(C)c3O)CCO2)n1 ZINC000179974826 526424023 /nfs/dbraw/zinc/42/40/23/526424023.db2.gz HTSGMZDAKMTGBC-AWEZNQCLSA-N 1 1 304.415 3.039 10 10 DGCEMO Cc1csc([C@@H]2C[N@H+](Cc3cccc(C)c3O)CCO2)n1 ZINC000179974826 526424021 /nfs/dbraw/zinc/42/40/21/526424021.db2.gz HTSGMZDAKMTGBC-AWEZNQCLSA-N 1 1 304.415 3.039 10 10 DGCEMO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000186227684 660350289 /nfs/dbraw/zinc/35/02/89/660350289.db2.gz AIVVHZRQAFQGHW-LLVKDONJSA-N 1 1 305.397 3.165 10 10 DGCEMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000093644963 655740567 /nfs/dbraw/zinc/74/05/67/655740567.db2.gz HMGFFUAQGIHZGW-VQIMIIECSA-N 1 1 303.494 3.447 10 10 DGCEMO Cc1nc(C)c(C[NH2+]Cc2cccc(Br)c2O)o1 ZINC000311837065 656016194 /nfs/dbraw/zinc/01/61/94/656016194.db2.gz MVGSPYSSIQMOMF-UHFFFAOYSA-N 1 1 311.179 3.049 10 10 DGCEMO C[C@@H]1[C@H]([NH2+]Cc2cccc(F)c2O)CCN1Cc1ccccc1 ZINC000309911670 656125723 /nfs/dbraw/zinc/12/57/23/656125723.db2.gz SDFTUSDCOLVHOI-RDTXWAMCSA-N 1 1 314.404 3.284 10 10 DGCEMO CN(C)[C@@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000170842934 659925527 /nfs/dbraw/zinc/92/55/27/659925527.db2.gz FSONDRLSPITNRV-CYBMUJFWSA-N 1 1 314.429 3.153 10 10 DGCEMO C[NH+](C)[C@@H]1CCN(Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000170842934 659925531 /nfs/dbraw/zinc/92/55/31/659925531.db2.gz FSONDRLSPITNRV-CYBMUJFWSA-N 1 1 314.429 3.153 10 10 DGCEMO Cc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC000180530201 659964213 /nfs/dbraw/zinc/96/42/13/659964213.db2.gz YVWYNIIELOOGCI-OAHLLOKOSA-N 1 1 320.433 3.190 10 10 DGCEMO CO[C@H]1C[N@@H+](Cc2cccc(Br)c2O)CC[C@@H]1C ZINC000188305466 661925524 /nfs/dbraw/zinc/92/55/24/661925524.db2.gz UMWGNGTUAXSBMV-GWCFXTLKSA-N 1 1 314.223 3.012 10 10 DGCEMO CO[C@H]1C[N@H+](Cc2cccc(Br)c2O)CC[C@@H]1C ZINC000188305466 661925523 /nfs/dbraw/zinc/92/55/23/661925523.db2.gz UMWGNGTUAXSBMV-GWCFXTLKSA-N 1 1 314.223 3.012 10 10 DGCEMO Cc1ccc([C@@H](C)[NH2+]Cc2nn(C)cc2Br)c(O)c1 ZINC000393354665 685216150 /nfs/dbraw/zinc/21/61/50/685216150.db2.gz KSBZODPXEZYXRX-SNVBAGLBSA-N 1 1 324.222 3.047 10 10 DGCEMO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000389837858 1197709982 /nfs/dbraw/zinc/70/99/82/1197709982.db2.gz LINHCLJMTLPWJB-RDTXWAMCSA-N 1 1 314.404 3.141 10 10 DGCEMO COc1cccc([C@@H]2C[N@@H+](Cc3cc(C)ccc3O)CCO2)c1 ZINC000093080259 193200943 /nfs/dbraw/zinc/20/09/43/193200943.db2.gz PGHRJELOFSJKNX-IBGZPJMESA-N 1 1 313.397 3.283 10 10 DGCEMO Oc1ccc2ccccc2c1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246595777 285391123 /nfs/dbraw/zinc/39/11/23/285391123.db2.gz CXAGUQVBVCYKAE-SJLPKXTDSA-N 1 1 315.438 3.252 10 10 DGCEMO COc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1O ZINC000246796142 432166948 /nfs/dbraw/zinc/16/69/48/432166948.db2.gz QQEDAJIBORUFLU-HUUCEWRRSA-N 1 1 317.385 3.082 10 10 DGCEMO CCCOc1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c(O)c1 ZINC000093841683 431916718 /nfs/dbraw/zinc/91/67/18/431916718.db2.gz PXWCWPHBBIBYGK-SFHVURJKSA-N 1 1 317.385 3.348 10 10 DGCEMO CCCOc1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)c(O)c1 ZINC000093841683 431916720 /nfs/dbraw/zinc/91/67/20/431916720.db2.gz PXWCWPHBBIBYGK-SFHVURJKSA-N 1 1 317.385 3.348 10 10 DGCEMO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(C)o3)C2)c1O ZINC000093864810 431918196 /nfs/dbraw/zinc/91/81/96/431918196.db2.gz TZPCCMWHTJOBNY-QGZVFWFLSA-N 1 1 317.385 3.266 10 10 DGCEMO CCOc1cccc(C[N@H+]2CCO[C@@H](c3ccc(C)o3)C2)c1O ZINC000093864810 431918199 /nfs/dbraw/zinc/91/81/99/431918199.db2.gz TZPCCMWHTJOBNY-QGZVFWFLSA-N 1 1 317.385 3.266 10 10 DGCEMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000125758275 431934988 /nfs/dbraw/zinc/93/49/88/431934988.db2.gz MSLLKGSPZPFYON-UHFFFAOYSA-N 1 1 306.793 3.471 10 10 DGCEMO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1O ZINC000186151653 432563777 /nfs/dbraw/zinc/56/37/77/432563777.db2.gz RGTCKUKYDJLENJ-QMMMGPOBSA-N 1 1 317.286 3.134 10 10 DGCEMO C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccc(F)cc1O ZINC000185878176 533863310 /nfs/dbraw/zinc/86/33/10/533863310.db2.gz DDBQAOSNCSMHPW-NHYWBVRUSA-N 1 1 314.360 3.308 10 10 DGCEMO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000180043811 524678000 /nfs/dbraw/zinc/67/80/00/524678000.db2.gz AGIYDWRCIULKTD-AWEZNQCLSA-N 1 1 315.392 3.169 10 10 DGCEMO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000180043811 524678005 /nfs/dbraw/zinc/67/80/05/524678005.db2.gz AGIYDWRCIULKTD-AWEZNQCLSA-N 1 1 315.392 3.169 10 10 DGCEMO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000180545314 524741259 /nfs/dbraw/zinc/74/12/59/524741259.db2.gz LBHFOSONUSBWHQ-MRXNPFEDSA-N 1 1 305.399 3.036 10 10 DGCEMO COc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000180545314 524741267 /nfs/dbraw/zinc/74/12/67/524741267.db2.gz LBHFOSONUSBWHQ-MRXNPFEDSA-N 1 1 305.399 3.036 10 10 DGCEMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000179963632 524743088 /nfs/dbraw/zinc/74/30/88/524743088.db2.gz IJASZDHGRKIPGX-LBPRGKRZSA-N 1 1 304.415 3.237 10 10 DGCEMO CN(CC[N@@H+](C)Cc1ccccc1O)Cc1ccc(F)cc1 ZINC000160540305 655652872 /nfs/dbraw/zinc/65/28/72/655652872.db2.gz ZQAZRQCSYWTNTK-UHFFFAOYSA-N 1 1 302.393 3.095 10 10 DGCEMO CCC1([NH3+])CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000714753195 661203493 /nfs/dbraw/zinc/20/34/93/661203493.db2.gz ICXQCXWRTBDNSA-UHFFFAOYSA-N 1 1 303.233 3.402 10 10 DGCEMO Cc1cc(Br)cc(C[N@H+]2CCO[C@H](C)CC2)c1O ZINC000720497662 657805011 /nfs/dbraw/zinc/80/50/11/657805011.db2.gz WCKJZZAUXIYCND-LLVKDONJSA-N 1 1 314.223 3.074 10 10 DGCEMO COc1ccccc1CC[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164297639 658928241 /nfs/dbraw/zinc/92/82/41/658928241.db2.gz DLMMTQWICMZGTQ-UHFFFAOYSA-N 1 1 315.413 3.392 10 10 DGCEMO COc1cc(C[N@@H+](C)Cc2ccc(Cl)nc2)c(O)cc1C ZINC000159721977 661894146 /nfs/dbraw/zinc/89/41/46/661894146.db2.gz IBZPLLQETOWWGU-UHFFFAOYSA-N 1 1 306.793 3.390 10 10 DGCEMO Cc1cc(O)c(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)cc1C(C)C ZINC000191435182 662066416 /nfs/dbraw/zinc/06/64/16/662066416.db2.gz UHZQXPUGRJIFJW-OAHLLOKOSA-N 1 1 317.351 3.323 10 10 DGCEMO CC(=O)c1cc(F)cc(C[N@@H+](C(C)C)C2CCOCC2)c1O ZINC000079443649 662110629 /nfs/dbraw/zinc/11/06/29/662110629.db2.gz DKXDDSZAGJLGIY-UHFFFAOYSA-N 1 1 309.381 3.123 10 10 DGCEMO CC(=O)c1cc(F)cc(C[N@H+](C(C)C)C2CCOCC2)c1O ZINC000079443649 662110631 /nfs/dbraw/zinc/11/06/31/662110631.db2.gz DKXDDSZAGJLGIY-UHFFFAOYSA-N 1 1 309.381 3.123 10 10 DGCEMO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H](N3CCCC3)C2)cc1 ZINC000092785492 662335728 /nfs/dbraw/zinc/33/57/28/662335728.db2.gz RSOKLHMRKABJBM-LJQANCHMSA-N 1 1 301.478 3.203 10 10 DGCEMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H](N3CCCC3)C2)cc1 ZINC000092785492 662335730 /nfs/dbraw/zinc/33/57/30/662335730.db2.gz RSOKLHMRKABJBM-LJQANCHMSA-N 1 1 301.478 3.203 10 10 DGCEMO C[C@@H]([NH2+]Cc1cccc(Br)c1O)[C@H]1CCCCO1 ZINC000393685547 685218920 /nfs/dbraw/zinc/21/89/20/685218920.db2.gz VYGZASINIYNAJU-ZWNOBZJWSA-N 1 1 314.223 3.202 10 10 DGCEMO C[C@H]([NH2+]Cc1cccc(Br)c1O)[C@@H]1CCCCO1 ZINC000393685544 685219325 /nfs/dbraw/zinc/21/93/25/685219325.db2.gz VYGZASINIYNAJU-GWCFXTLKSA-N 1 1 314.223 3.202 10 10 DGCEMO CSC[C@@H](C)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000134750502 1201202864 /nfs/dbraw/zinc/20/28/64/1201202864.db2.gz KOZVZLIKTWGVRI-SECBINFHSA-N 1 1 304.253 3.304 10 10 DGCEMO CC[N@@H+](Cc1cccc(Br)c1[O-])[C@H]1CCCOC1 ZINC000402753749 1094060915 /nfs/dbraw/zinc/06/09/15/1094060915.db2.gz MJKQUOOBOJWYFL-LBPRGKRZSA-N 1 1 314.223 3.156 10 10 DGCEMO CC[N@H+](Cc1cccc(Br)c1O)[C@H]1CCCOC1 ZINC000402753749 1094060920 /nfs/dbraw/zinc/06/09/20/1094060920.db2.gz MJKQUOOBOJWYFL-LBPRGKRZSA-N 1 1 314.223 3.156 10 10 DGCEMO CC[N@@H+](Cc1cccc(Br)c1O)[C@H]1CCCOC1 ZINC000402753749 1094060926 /nfs/dbraw/zinc/06/09/26/1094060926.db2.gz MJKQUOOBOJWYFL-LBPRGKRZSA-N 1 1 314.223 3.156 10 10 DGCEMO CN(C)c1ccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000092812384 185343472 /nfs/dbraw/zinc/34/34/72/185343472.db2.gz CNNFCYVUAMLNRK-KRWDZBQOSA-N 1 1 310.445 3.082 10 10 DGCEMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1O ZINC000179780524 432070331 /nfs/dbraw/zinc/07/03/31/432070331.db2.gz JGOXANQBSOWPJV-LBPRGKRZSA-N 1 1 305.809 3.457 10 10 DGCEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000180119904 432079005 /nfs/dbraw/zinc/07/90/05/432079005.db2.gz PZIIIZJLGKPFHN-OAHLLOKOSA-N 1 1 303.381 3.219 10 10 DGCEMO [O-]c1c(F)cccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309766013 285380384 /nfs/dbraw/zinc/38/03/84/285380384.db2.gz ZLCYSLZJSOCRIN-MRXNPFEDSA-N 1 1 314.404 3.143 10 10 DGCEMO COc1cccc([C@H]2C[N@@H+](Cc3cccc(C)c3O)CCO2)c1 ZINC000180047677 228354132 /nfs/dbraw/zinc/35/41/32/228354132.db2.gz NQLWIMHZVLRROC-GOSISDBHSA-N 1 1 313.397 3.283 10 10 DGCEMO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000191303811 432247589 /nfs/dbraw/zinc/24/75/89/432247589.db2.gz VODRKQMOPSRKSP-UHFFFAOYSA-N 1 1 309.772 3.287 10 10 DGCEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000122724737 431842479 /nfs/dbraw/zinc/84/24/79/431842479.db2.gz UXRJQUVTPQNCQC-GOSISDBHSA-N 1 1 312.461 3.440 10 10 DGCEMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000123086831 431854037 /nfs/dbraw/zinc/85/40/37/431854037.db2.gz RZEPLHNFGKTZAL-MRXNPFEDSA-N 1 1 315.417 3.133 10 10 DGCEMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000092812627 431911428 /nfs/dbraw/zinc/91/14/28/431911428.db2.gz TUSFMOCCJJTBOZ-CYBMUJFWSA-N 1 1 317.820 3.375 10 10 DGCEMO Cc1nnc([C@H]([NH2+][C@@H](C)c2ccccc2O)c2ccccc2)[nH]1 ZINC000154166109 432477874 /nfs/dbraw/zinc/47/78/74/432477874.db2.gz UXHGDYVOQICPFB-YVEFUNNKSA-N 1 1 308.385 3.259 10 10 DGCEMO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185685038 528331661 /nfs/dbraw/zinc/33/16/61/528331661.db2.gz XGOYGJCEVKYLHE-FZMZJTMJSA-N 1 1 318.396 3.432 10 10 DGCEMO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000151648681 620467927 /nfs/dbraw/zinc/46/79/27/620467927.db2.gz QJLOOLYWSBCSHZ-AWEZNQCLSA-N 1 1 305.418 3.209 10 10 DGCEMO COc1cc(C)cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1O ZINC000164504484 658937552 /nfs/dbraw/zinc/93/75/52/658937552.db2.gz IEROVDIHHAQJQU-OAHLLOKOSA-N 1 1 319.426 3.344 10 10 DGCEMO COc1ccc2ccc(O)c(C[N@H+]3CCS[C@H](C)C3)c2c1 ZINC000171606548 659290815 /nfs/dbraw/zinc/29/08/15/659290815.db2.gz XOPHZTMBADZEIZ-GFCCVEGCSA-N 1 1 303.427 3.491 10 10 DGCEMO CCN(CC)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000245718244 662239027 /nfs/dbraw/zinc/23/90/27/662239027.db2.gz HMGFFUAQGIHZGW-LPHOPBHVSA-N 1 1 303.494 3.447 10 10 DGCEMO CCN(CC)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000245718244 662239028 /nfs/dbraw/zinc/23/90/28/662239028.db2.gz HMGFFUAQGIHZGW-LPHOPBHVSA-N 1 1 303.494 3.447 10 10 DGCEMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(C)ccc1O ZINC000246195812 662250223 /nfs/dbraw/zinc/25/02/23/662250223.db2.gz LOQUJGJCUYAUNT-BMFZPTHFSA-N 1 1 303.402 3.007 10 10 DGCEMO C[NH+](C)[C@H](CNCc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000097503618 1199139329 /nfs/dbraw/zinc/13/93/29/1199139329.db2.gz PCJDONCVBISJBX-GOSISDBHSA-N 1 1 302.462 3.222 10 10 DGCEMO CSCCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000134750427 1201202503 /nfs/dbraw/zinc/20/25/03/1201202503.db2.gz JCBHSZRTIVAXBV-UHFFFAOYSA-N 1 1 304.253 3.306 10 10 DGCEMO Cn1cc([C@@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)cn1 ZINC000116257585 431498266 /nfs/dbraw/zinc/49/82/66/431498266.db2.gz BMIAGMRISVSWAU-OAHLLOKOSA-N 1 1 307.397 3.268 10 10 DGCEMO Cn1cc([C@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)cn1 ZINC000116257588 431499399 /nfs/dbraw/zinc/49/93/99/431499399.db2.gz BMIAGMRISVSWAU-HNNXBMFYSA-N 1 1 307.397 3.268 10 10 DGCEMO Cc1cc(O)c(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1C ZINC000093457725 431915583 /nfs/dbraw/zinc/91/55/83/431915583.db2.gz WQEAIHUOLWBEOV-IBGZPJMESA-N 1 1 313.397 3.288 10 10 DGCEMO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccc(F)cc1O ZINC000186031565 432555099 /nfs/dbraw/zinc/55/50/99/432555099.db2.gz CICUORWBNLROQK-LLVKDONJSA-N 1 1 322.405 3.064 10 10 DGCEMO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000527804335 435015550 /nfs/dbraw/zinc/01/55/50/435015550.db2.gz OMIAIDHWCNXVGA-XHSYRHOGSA-N 1 1 314.223 3.056 10 10 DGCEMO Oc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000179567634 534456460 /nfs/dbraw/zinc/45/64/60/534456460.db2.gz VNDNCVIIYKVEDM-OAHLLOKOSA-N 1 1 312.417 3.047 10 10 DGCEMO Oc1ccccc1C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000179567634 534456465 /nfs/dbraw/zinc/45/64/65/534456465.db2.gz VNDNCVIIYKVEDM-OAHLLOKOSA-N 1 1 312.417 3.047 10 10 DGCEMO COc1ccc(O)c(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c1 ZINC000180021848 524751016 /nfs/dbraw/zinc/75/10/16/524751016.db2.gz FIMHPVSPNJSPDG-AUUYWEPGSA-N 1 1 313.397 3.363 10 10 DGCEMO COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c1O ZINC000130657859 525957756 /nfs/dbraw/zinc/95/77/56/525957756.db2.gz FHLVTSATJNTXCJ-KSSFIOAISA-N 1 1 313.397 3.363 10 10 DGCEMO Cc1csc([C@@H]2C[N@H+](Cc3cc(C)c(C)cc3O)CCO2)n1 ZINC000156511996 526423582 /nfs/dbraw/zinc/42/35/82/526423582.db2.gz HPCYKWPDXRKFPP-INIZCTEOSA-N 1 1 318.442 3.347 10 10 DGCEMO Cc1csc([C@@H]2C[N@@H+](Cc3cc(C)c(C)cc3O)CCO2)n1 ZINC000156511996 526423587 /nfs/dbraw/zinc/42/35/87/526423587.db2.gz HPCYKWPDXRKFPP-INIZCTEOSA-N 1 1 318.442 3.347 10 10 DGCEMO Cc1csc([C@H]2C[N@H+](Cc3cc(C)cc(C)c3O)CCO2)n1 ZINC000164245555 658923191 /nfs/dbraw/zinc/92/31/91/658923191.db2.gz HYYLWAARKCHBCQ-OAHLLOKOSA-N 1 1 318.442 3.347 10 10 DGCEMO Cc1csc([C@H]2C[N@@H+](Cc3cc(C)cc(C)c3O)CCO2)n1 ZINC000164245555 658923194 /nfs/dbraw/zinc/92/31/94/658923194.db2.gz HYYLWAARKCHBCQ-OAHLLOKOSA-N 1 1 318.442 3.347 10 10 DGCEMO COc1cc(C[N@@H+](C)C[C@@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000164356054 658929595 /nfs/dbraw/zinc/92/95/95/658929595.db2.gz LDKNCHLKXMVFJD-AWEZNQCLSA-N 1 1 307.434 3.309 10 10 DGCEMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCC[NH2+]CC1 ZINC000231457828 659385379 /nfs/dbraw/zinc/38/53/79/659385379.db2.gz CUKIRBOVPQWYSQ-GFCCVEGCSA-N 1 1 303.233 3.273 10 10 DGCEMO Cc1cnc([C@@H](C)[NH2+]Cc2cc(Br)ccc2O)o1 ZINC000231532308 659390657 /nfs/dbraw/zinc/39/06/57/659390657.db2.gz GBMGOUBRRDHKOE-SECBINFHSA-N 1 1 311.179 3.302 10 10 DGCEMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000093757739 662359944 /nfs/dbraw/zinc/35/99/44/662359944.db2.gz SPEZCWCBXLIJFU-OAHLLOKOSA-N 1 1 320.433 3.190 10 10 DGCEMO CC1(C)SC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000390501733 685202611 /nfs/dbraw/zinc/20/26/11/685202611.db2.gz UYNWYMHQEULBRZ-JTQLQIEISA-N 1 1 302.237 3.138 10 10 DGCEMO CCC[N@H+](Cc1nnc(C(C)C)n1C)Cc1ccccc1O ZINC000170779133 432080471 /nfs/dbraw/zinc/08/04/71/432080471.db2.gz LBNZOAQWMKFUCC-UHFFFAOYSA-N 1 1 302.422 3.056 10 10 DGCEMO CCC[N@@H+](Cc1nnc(C(C)C)n1C)Cc1ccccc1O ZINC000170779133 432080472 /nfs/dbraw/zinc/08/04/72/432080472.db2.gz LBNZOAQWMKFUCC-UHFFFAOYSA-N 1 1 302.422 3.056 10 10 DGCEMO C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000185340533 533382926 /nfs/dbraw/zinc/38/29/26/533382926.db2.gz BYCUHZISWLRGPX-LLVKDONJSA-N 1 1 312.385 3.097 10 10 DGCEMO COc1ccc(C[N@@H+](C)CCCc2ccc(N)cc2)cc1OC ZINC000136332019 400591496 /nfs/dbraw/zinc/59/14/96/400591496.db2.gz UCRGQRHPPKJIGF-UHFFFAOYSA-N 1 1 314.429 3.351 10 10 DGCEMO COc1cccc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)c1O ZINC000191226519 432236995 /nfs/dbraw/zinc/23/69/95/432236995.db2.gz LCBLPDWRZGFGTR-UHFFFAOYSA-N 1 1 305.418 3.324 10 10 DGCEMO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C12CCOCC2 ZINC000186318444 432582092 /nfs/dbraw/zinc/58/20/92/432582092.db2.gz MIYXPIWMMFSLGS-AFAVFJNCSA-N 1 1 323.408 3.156 10 10 DGCEMO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)cc1O ZINC000170789082 533813368 /nfs/dbraw/zinc/81/33/68/533813368.db2.gz UJRBWRZPZQTBHG-ZDUSSCGKSA-N 1 1 315.392 3.246 10 10 DGCEMO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000185340512 533852115 /nfs/dbraw/zinc/85/21/15/533852115.db2.gz BYCUHZISWLRGPX-NSHDSACASA-N 1 1 312.385 3.097 10 10 DGCEMO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1nnc2n1CCCC2 ZINC000130886651 518183385 /nfs/dbraw/zinc/18/33/85/518183385.db2.gz RVORDTJWYFMRPH-KBPBESRZSA-N 1 1 313.449 3.092 10 10 DGCEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180120408 522600152 /nfs/dbraw/zinc/60/01/52/522600152.db2.gz LDYNGTXGDTWPBM-HNNXBMFYSA-N 1 1 303.381 3.127 10 10 DGCEMO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(F)cc1O ZINC000186080129 660265233 /nfs/dbraw/zinc/26/52/33/660265233.db2.gz HFXNBEAHVAUXNI-LBPRGKRZSA-N 1 1 300.333 3.133 10 10 DGCEMO CO[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[C@@H]1C ZINC000707138784 660888618 /nfs/dbraw/zinc/88/86/18/660888618.db2.gz HFJUOGGRWKFGKI-IINYFYTJSA-N 1 1 314.223 3.012 10 10 DGCEMO CC[N@@H+](Cc1c(O)cccc1Br)[C@@H]1CCCOC1 ZINC000707131028 660889748 /nfs/dbraw/zinc/88/97/48/660889748.db2.gz FXIJKPKIBHJGDP-LLVKDONJSA-N 1 1 314.223 3.156 10 10 DGCEMO COc1cc(Cl)cc(C[N@H+](C[C@H](C)OC)C(C)C)c1O ZINC000708277950 660919517 /nfs/dbraw/zinc/91/95/17/660919517.db2.gz JINDQVTXWQURSU-NSHDSACASA-N 1 1 301.814 3.300 10 10 DGCEMO C[N@H+](CCCCCC[NH3+])Cc1cc(Br)ccc1[O-] ZINC000710761880 660935262 /nfs/dbraw/zinc/93/52/62/660935262.db2.gz XNXHAQRFBWZRLM-UHFFFAOYSA-N 1 1 315.255 3.106 10 10 DGCEMO C[N@@H+](CCCCCC[NH3+])Cc1cc(Br)ccc1[O-] ZINC000710761880 660935263 /nfs/dbraw/zinc/93/52/63/660935263.db2.gz XNXHAQRFBWZRLM-UHFFFAOYSA-N 1 1 315.255 3.106 10 10 DGCEMO Cc1cccc(C[NH2+]Cc2ncc(Br)s2)c1O ZINC000714927347 661204933 /nfs/dbraw/zinc/20/49/33/661204933.db2.gz QQRCPIILACPZJB-UHFFFAOYSA-N 1 1 313.220 3.209 10 10 DGCEMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc(F)ccc1O ZINC000180059414 656090103 /nfs/dbraw/zinc/09/01/03/656090103.db2.gz OJZRWDUHNXSLIW-UGSOOPFHSA-N 1 1 301.361 3.493 10 10 DGCEMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cc(F)ccc1O ZINC000180059414 656090106 /nfs/dbraw/zinc/09/01/06/656090106.db2.gz OJZRWDUHNXSLIW-UGSOOPFHSA-N 1 1 301.361 3.493 10 10 DGCEMO Oc1c(Br)cccc1C[NH2+][C@H]1COc2ccccc21 ZINC000070070144 660036228 /nfs/dbraw/zinc/03/62/28/660036228.db2.gz FOTHMUPJNIVFTP-ZDUSSCGKSA-N 1 1 320.186 3.378 10 10 DGCEMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000188400002 661929930 /nfs/dbraw/zinc/92/99/30/661929930.db2.gz MWAHAWUXBNXBLJ-IBGZPJMESA-N 1 1 312.461 3.394 10 10 DGCEMO COc1cc(Cl)cc(C[NH2+][C@H](C)c2nnc(C)s2)c1O ZINC000391868020 1197715259 /nfs/dbraw/zinc/71/52/59/1197715259.db2.gz WPBGCZFYJUMPJW-SSDOTTSWSA-N 1 1 313.810 3.065 10 10 DGCEMO CS[C@@H](C)C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000134751350 1201202905 /nfs/dbraw/zinc/20/29/05/1201202905.db2.gz VANGLNZXNRGVAX-VIFPVBQESA-N 1 1 304.253 3.304 10 10 DGCEMO Cc1csc([C@@H]2C[N@H+](Cc3cc(C)ccc3O)CCO2)n1 ZINC000092790242 185341448 /nfs/dbraw/zinc/34/14/48/185341448.db2.gz JBHIKFCEDDQJFU-HNNXBMFYSA-N 1 1 304.415 3.039 10 10 DGCEMO Cc1csc([C@@H]2C[N@@H+](Cc3cc(C)ccc3O)CCO2)n1 ZINC000092790242 185341449 /nfs/dbraw/zinc/34/14/49/185341449.db2.gz JBHIKFCEDDQJFU-HNNXBMFYSA-N 1 1 304.415 3.039 10 10 DGCEMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128553355 227011745 /nfs/dbraw/zinc/01/17/45/227011745.db2.gz GUQWDSONZKDDOX-HNNXBMFYSA-N 1 1 322.412 3.049 10 10 DGCEMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccccc2O)C1 ZINC000245607643 432849575 /nfs/dbraw/zinc/84/95/75/432849575.db2.gz MVNYOMITPIQXIU-IRXDYDNUSA-N 1 1 302.462 3.479 10 10 DGCEMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccccc2O)C1 ZINC000245607643 432849577 /nfs/dbraw/zinc/84/95/77/432849577.db2.gz MVNYOMITPIQXIU-IRXDYDNUSA-N 1 1 302.462 3.479 10 10 DGCEMO c1nc2c([nH]1)CC[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000377789550 433995827 /nfs/dbraw/zinc/99/58/27/433995827.db2.gz YCQZYGCOIRMMAY-MRXNPFEDSA-N 1 1 310.445 3.047 10 10 DGCEMO c1nc2c([nH]1)CC[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)C2 ZINC000377788773 433996275 /nfs/dbraw/zinc/99/62/75/433996275.db2.gz YCQZYGCOIRMMAY-INIZCTEOSA-N 1 1 310.445 3.047 10 10 DGCEMO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1O ZINC000184681924 533952000 /nfs/dbraw/zinc/95/20/00/533952000.db2.gz OHEMTXLBEIOJFJ-KBPBESRZSA-N 1 1 311.809 3.198 10 10 DGCEMO COc1cc(Cl)cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1O ZINC000184681924 533952008 /nfs/dbraw/zinc/95/20/08/533952008.db2.gz OHEMTXLBEIOJFJ-KBPBESRZSA-N 1 1 311.809 3.198 10 10 DGCEMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000128536900 520896060 /nfs/dbraw/zinc/89/60/60/520896060.db2.gz DGZOXCZVGZWZNG-QGZVFWFLSA-N 1 1 312.461 3.256 10 10 DGCEMO CC[N@@H+](CCc1nccs1)Cc1cc2c(cc1O)CCC2 ZINC000134033302 626851330 /nfs/dbraw/zinc/85/13/30/626851330.db2.gz QDBWISNGTNXIMG-UHFFFAOYSA-N 1 1 302.443 3.402 10 10 DGCEMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000178612731 655785145 /nfs/dbraw/zinc/78/51/45/655785145.db2.gz UJJUFOYAVVBJGD-QGZVFWFLSA-N 1 1 311.429 3.124 10 10 DGCEMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000178612740 656959783 /nfs/dbraw/zinc/95/97/83/656959783.db2.gz UJJUFOYAVVBJGD-KRWDZBQOSA-N 1 1 311.429 3.124 10 10 DGCEMO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000164779882 658945484 /nfs/dbraw/zinc/94/54/84/658945484.db2.gz ROYWCDYABVWFTL-OAHLLOKOSA-N 1 1 300.450 3.456 10 10 DGCEMO CC1(C)CC[C@H](C[NH2+]Cc2cccc(Br)c2O)O1 ZINC000189728273 661989039 /nfs/dbraw/zinc/98/90/39/661989039.db2.gz RULPSZVBYOGNOO-LLVKDONJSA-N 1 1 314.223 3.202 10 10 DGCEMO c1cn(-c2ccccc2)nc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000126862146 1200637047 /nfs/dbraw/zinc/63/70/47/1200637047.db2.gz LJERYPARNLRRDJ-UHFFFAOYSA-N 1 1 305.381 3.097 10 10 DGCEMO CC[N@@H+](Cc1cccc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000402753746 1094061160 /nfs/dbraw/zinc/06/11/60/1094061160.db2.gz MJKQUOOBOJWYFL-GFCCVEGCSA-N 1 1 314.223 3.156 10 10 DGCEMO CC[N@H+](Cc1cccc(Br)c1O)[C@@H]1CCCOC1 ZINC000402753746 1094061167 /nfs/dbraw/zinc/06/11/67/1094061167.db2.gz MJKQUOOBOJWYFL-GFCCVEGCSA-N 1 1 314.223 3.156 10 10 DGCEMO CC[N@@H+](Cc1cccc(Br)c1O)[C@@H]1CCCOC1 ZINC000402753746 1094061172 /nfs/dbraw/zinc/06/11/72/1094061172.db2.gz MJKQUOOBOJWYFL-GFCCVEGCSA-N 1 1 314.223 3.156 10 10 DGCEMO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C)nc32)cc1 ZINC000246398074 432126534 /nfs/dbraw/zinc/12/65/34/432126534.db2.gz LLPRDZWJTARCBV-DYVFJYSZSA-N 1 1 313.449 3.228 10 10 DGCEMO CN(C)c1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1 ZINC000284056409 131044000 /nfs/dbraw/zinc/04/40/00/131044000.db2.gz PSRDIORYJBUFEJ-UHFFFAOYSA-N 1 1 320.440 3.287 10 10 DGCEMO CCOc1cccc(C[N@@H+](CC)CCc2nccs2)c1O ZINC000093764531 431916794 /nfs/dbraw/zinc/91/67/94/431916794.db2.gz WJNOGHZXKMXLIR-UHFFFAOYSA-N 1 1 306.431 3.312 10 10 DGCEMO CCOc1ccc(O)c(C[N@@H+](C)CCc2ncc(C)s2)c1 ZINC000093807361 431917069 /nfs/dbraw/zinc/91/70/69/431917069.db2.gz YRHUWQNWBITFMZ-UHFFFAOYSA-N 1 1 306.431 3.230 10 10 DGCEMO CCOc1cccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1O ZINC000093768339 431917554 /nfs/dbraw/zinc/91/75/54/431917554.db2.gz RLNSGULKCYGMDS-INIZCTEOSA-N 1 1 319.426 3.426 10 10 DGCEMO CCOc1cccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1O ZINC000093768339 431917557 /nfs/dbraw/zinc/91/75/57/431917557.db2.gz RLNSGULKCYGMDS-INIZCTEOSA-N 1 1 319.426 3.426 10 10 DGCEMO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)cc1O ZINC000248529444 432297335 /nfs/dbraw/zinc/29/73/35/432297335.db2.gz WUJKBQBVWXWIRB-GHJWDPDVSA-N 1 1 311.422 3.237 10 10 DGCEMO Cc1noc(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)n1 ZINC000192978254 432435012 /nfs/dbraw/zinc/43/50/12/432435012.db2.gz DBEJOJSYCBBVEH-ZETCQYMHSA-N 1 1 316.188 3.284 10 10 DGCEMO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1O ZINC000245867609 432866450 /nfs/dbraw/zinc/86/64/50/432866450.db2.gz QQMLAXWETUJOLO-YJBOKZPZSA-N 1 1 300.446 3.149 10 10 DGCEMO Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1O ZINC000245867609 432866453 /nfs/dbraw/zinc/86/64/53/432866453.db2.gz QQMLAXWETUJOLO-YJBOKZPZSA-N 1 1 300.446 3.149 10 10 DGCEMO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000245613238 432850889 /nfs/dbraw/zinc/85/08/89/432850889.db2.gz OQWSDWPCDTWDQZ-ACJLOTCBSA-N 1 1 301.361 3.493 10 10 DGCEMO c1cc2c(o1)CCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000368130350 434565615 /nfs/dbraw/zinc/56/56/15/434565615.db2.gz AXCNMGIFEJITJA-UHFFFAOYSA-N 1 1 312.413 3.065 10 10 DGCEMO Cc1cc([C@@H]2C[N@@H+](Cc3ccccc3O)CCO2)ccc1F ZINC000179579338 534047833 /nfs/dbraw/zinc/04/78/33/534047833.db2.gz WCDQHODGHVLYFK-SFHVURJKSA-N 1 1 301.361 3.413 10 10 DGCEMO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccc(F)cc1O ZINC000170788908 525539719 /nfs/dbraw/zinc/53/97/19/525539719.db2.gz VVBLAEKWJILUHQ-GUYCJALGSA-N 1 1 302.393 3.485 10 10 DGCEMO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCS1 ZINC000131301579 626622318 /nfs/dbraw/zinc/62/23/18/626622318.db2.gz AFAPCOAJPXZEQF-SECBINFHSA-N 1 1 302.237 3.092 10 10 DGCEMO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185559158 660229576 /nfs/dbraw/zinc/22/95/76/660229576.db2.gz JOTMTHLCKODSCR-QWRGUYRKSA-N 1 1 305.397 3.163 10 10 DGCEMO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(F)cc1O ZINC000186080148 660265367 /nfs/dbraw/zinc/26/53/67/660265367.db2.gz HFXNBEAHVAUXNI-GFCCVEGCSA-N 1 1 300.333 3.133 10 10 DGCEMO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@]1(C)C[NH3+] ZINC000311378311 655998934 /nfs/dbraw/zinc/99/89/34/655998934.db2.gz AFVBVKFNZQVRSU-YMTOWFKASA-N 1 1 303.233 3.116 10 10 DGCEMO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000186227672 656130905 /nfs/dbraw/zinc/13/09/05/656130905.db2.gz AIVVHZRQAFQGHW-NSHDSACASA-N 1 1 305.397 3.165 10 10 DGCEMO CO[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@H]1C ZINC000249247385 657041756 /nfs/dbraw/zinc/04/17/56/657041756.db2.gz XMQDNQIYDOZNPG-QMTHXVAHSA-N 1 1 314.223 3.012 10 10 DGCEMO COc1cc(C[N@@H+](C)C[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000164356149 658929750 /nfs/dbraw/zinc/92/97/50/658929750.db2.gz LDKNCHLKXMVFJD-CQSZACIVSA-N 1 1 307.434 3.309 10 10 DGCEMO Cn1cc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)CCCC3)cn1 ZINC000160133002 661901345 /nfs/dbraw/zinc/90/13/45/661901345.db2.gz SXJPUJQPHMQKJS-GOSISDBHSA-N 1 1 311.429 3.342 10 10 DGCEMO COC(C)(C)[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000720193543 662306463 /nfs/dbraw/zinc/30/64/63/662306463.db2.gz IDYJYPLFDCSBGM-VIFPVBQESA-N 1 1 302.212 3.058 10 10 DGCEMO Cc1cccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1O ZINC000184442957 228384347 /nfs/dbraw/zinc/38/43/47/228384347.db2.gz SRLVOJDPFSTEKR-UHFFFAOYSA-N 1 1 305.381 3.447 10 10 DGCEMO Cn1nccc1C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191303600 432246661 /nfs/dbraw/zinc/24/66/61/432246661.db2.gz QGCXPVHCWKXSIN-UHFFFAOYSA-N 1 1 323.799 3.298 10 10 DGCEMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000092812626 431912050 /nfs/dbraw/zinc/91/20/50/431912050.db2.gz TUSFMOCCJJTBOZ-ZDUSSCGKSA-N 1 1 317.820 3.375 10 10 DGCEMO Cc1ccc([C@@H]2C[N@@H+](Cc3cc(C)c(C)cc3O)CCO2)o1 ZINC000093864783 431918814 /nfs/dbraw/zinc/91/88/14/431918814.db2.gz VLSQQGRNVRUWJC-SFHVURJKSA-N 1 1 301.386 3.484 10 10 DGCEMO Cc1ccc([C@H]2C[N@@H+](Cc3cc(C)c(C)cc3O)CCO2)o1 ZINC000093864784 431919109 /nfs/dbraw/zinc/91/91/09/431919109.db2.gz VLSQQGRNVRUWJC-GOSISDBHSA-N 1 1 301.386 3.484 10 10 DGCEMO Cc1nnc([C@H]([NH2+][C@H](C)c2ccccc2O)c2ccccc2)[nH]1 ZINC000154166329 432478530 /nfs/dbraw/zinc/47/85/30/432478530.db2.gz UXHGDYVOQICPFB-SJKOYZFVSA-N 1 1 308.385 3.259 10 10 DGCEMO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000527804331 435016370 /nfs/dbraw/zinc/01/63/70/435016370.db2.gz OMIAIDHWCNXVGA-BSTOTGJRSA-N 1 1 314.223 3.056 10 10 DGCEMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC000375284845 337007138 /nfs/dbraw/zinc/00/71/38/337007138.db2.gz VEYDPBDYGYYMFL-KRWDZBQOSA-N 1 1 323.820 3.251 10 10 DGCEMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC000375284845 337007139 /nfs/dbraw/zinc/00/71/39/337007139.db2.gz VEYDPBDYGYYMFL-KRWDZBQOSA-N 1 1 323.820 3.251 10 10 DGCEMO CCC[N@H+](Cc1cc(OC)c(OC)cc1O)C[C@H]1CCCCO1 ZINC000160161320 655524297 /nfs/dbraw/zinc/52/42/97/655524297.db2.gz BGJFMZXVWXFPGN-OAHLLOKOSA-N 1 1 323.433 3.191 10 10 DGCEMO C[C@@H]1[C@@H]([NH2+]Cc2cccc(F)c2O)CCN1Cc1ccccc1 ZINC000309911665 655886228 /nfs/dbraw/zinc/88/62/28/655886228.db2.gz SDFTUSDCOLVHOI-KDOFPFPSSA-N 1 1 314.404 3.284 10 10 DGCEMO COc1cc(C)cc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1O ZINC000164488956 658936636 /nfs/dbraw/zinc/93/66/36/658936636.db2.gz QSMYGRBDAYXAJX-INIZCTEOSA-N 1 1 319.426 3.344 10 10 DGCEMO COc1cc(C)cc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1O ZINC000164488956 658936639 /nfs/dbraw/zinc/93/66/39/658936639.db2.gz QSMYGRBDAYXAJX-INIZCTEOSA-N 1 1 319.426 3.344 10 10 DGCEMO COc1ccc(O)c(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000180456170 659962902 /nfs/dbraw/zinc/96/29/02/659962902.db2.gz WDPSEMVSKDFQTF-QGZVFWFLSA-N 1 1 305.418 3.324 10 10 DGCEMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000182366168 660047901 /nfs/dbraw/zinc/04/79/01/660047901.db2.gz UESOAWWLFCCRLK-QWRGUYRKSA-N 1 1 319.405 3.493 10 10 DGCEMO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCC1(F)F ZINC000397934265 685232890 /nfs/dbraw/zinc/23/28/90/685232890.db2.gz CWWBABJCPLNZCT-LLVKDONJSA-N 1 1 306.150 3.432 10 10 DGCEMO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000389837856 1197710271 /nfs/dbraw/zinc/71/02/71/1197710271.db2.gz LINHCLJMTLPWJB-KDOFPFPSSA-N 1 1 314.404 3.141 10 10 DGCEMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1O ZINC000179780542 432069955 /nfs/dbraw/zinc/06/99/55/432069955.db2.gz JGOXANQBSOWPJV-GFCCVEGCSA-N 1 1 305.809 3.457 10 10 DGCEMO COc1cc(OC)cc([C@@H]2CC[N@@H+](Cc3ccccc3O)C2)c1 ZINC000179583498 533084208 /nfs/dbraw/zinc/08/42/08/533084208.db2.gz HJWLLIOGSFHPBH-CQSZACIVSA-N 1 1 313.397 3.399 10 10 DGCEMO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)cc1O ZINC000170789083 533339534 /nfs/dbraw/zinc/33/95/34/533339534.db2.gz UJRBWRZPZQTBHG-CYBMUJFWSA-N 1 1 315.392 3.246 10 10 DGCEMO CCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000246796528 432166646 /nfs/dbraw/zinc/16/66/46/432166646.db2.gz QQROXWRHXDPXKM-HOCLYGCPSA-N 1 1 315.417 3.071 10 10 DGCEMO COc1ccc(O)c(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000184443335 228383643 /nfs/dbraw/zinc/38/36/43/228383643.db2.gz NFMSUSVHBHILBM-UHFFFAOYSA-N 1 1 321.380 3.148 10 10 DGCEMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)C(F)(F)F ZINC000121033192 431741496 /nfs/dbraw/zinc/74/14/96/431741496.db2.gz PPBICIYFWHCEEW-HNNXBMFYSA-N 1 1 316.367 3.032 10 10 DGCEMO CCOc1cccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1O ZINC000092757910 431911683 /nfs/dbraw/zinc/91/16/83/431911683.db2.gz MHXMBHALPNZUCV-KRWDZBQOSA-N 1 1 312.413 3.477 10 10 DGCEMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000180136134 534201777 /nfs/dbraw/zinc/20/17/77/534201777.db2.gz DXYRPTZRCDEUOH-INIZCTEOSA-N 1 1 315.417 3.088 10 10 DGCEMO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccc(C)c3O)C2)n1 ZINC000179989089 524679878 /nfs/dbraw/zinc/67/98/78/524679878.db2.gz JCCFNPVXTBMNBP-INIZCTEOSA-N 1 1 311.429 3.338 10 10 DGCEMO COc1ccc(O)c(C[N@H+](C)Cc2nc3c(s2)CCCC3)c1 ZINC000180195836 524732878 /nfs/dbraw/zinc/73/28/78/524732878.db2.gz KASWKEPMJGHRKU-UHFFFAOYSA-N 1 1 318.442 3.368 10 10 DGCEMO COc1ccc(O)c(C[N@@H+](C)Cc2nc3c(s2)CCCC3)c1 ZINC000180195836 524732890 /nfs/dbraw/zinc/73/28/90/524732890.db2.gz KASWKEPMJGHRKU-UHFFFAOYSA-N 1 1 318.442 3.368 10 10 DGCEMO COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c1O ZINC000130657644 525957590 /nfs/dbraw/zinc/95/75/90/525957590.db2.gz FHLVTSATJNTXCJ-KDOFPFPSSA-N 1 1 313.397 3.363 10 10 DGCEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000153247551 620543719 /nfs/dbraw/zinc/54/37/19/620543719.db2.gz IBHIDJAIQMAYEV-CZUORRHYSA-N 1 1 318.461 3.064 10 10 DGCEMO CC(C)(C)OC(=O)N1CC[C@](C)([NH2+]Cc2cccc(F)c2O)C1 ZINC000701874639 660689755 /nfs/dbraw/zinc/68/97/55/660689755.db2.gz CQUUXYSZFUXXEI-KRWDZBQOSA-N 1 1 324.396 3.020 10 10 DGCEMO CO[C@@H](C)C[N@@H+](Cc1c(O)cccc1Br)C(C)C ZINC000707142903 660887841 /nfs/dbraw/zinc/88/78/41/660887841.db2.gz NKJIPEHYZPHTHA-NSHDSACASA-N 1 1 316.239 3.400 10 10 DGCEMO C[C@H](COCc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708555063 660924239 /nfs/dbraw/zinc/92/42/39/660924239.db2.gz KYACDGXDJGHCFJ-GFCCVEGCSA-N 1 1 307.340 3.365 10 10 DGCEMO Cc1cc(O)c(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1C(C)C ZINC000191435198 656169268 /nfs/dbraw/zinc/16/92/68/656169268.db2.gz UHZQXPUGRJIFJW-HNNXBMFYSA-N 1 1 317.351 3.323 10 10 DGCEMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1cc2c(cc1O)CCC2 ZINC000046477506 657388976 /nfs/dbraw/zinc/38/89/76/657388976.db2.gz ZWAMOPYAPAULQS-UHFFFAOYSA-N 1 1 312.369 3.421 10 10 DGCEMO CCN(CC)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000245718249 662239079 /nfs/dbraw/zinc/23/90/79/662239079.db2.gz HMGFFUAQGIHZGW-QFBILLFUSA-N 1 1 303.494 3.447 10 10 DGCEMO CCN(CC)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000245718249 662239081 /nfs/dbraw/zinc/23/90/81/662239081.db2.gz HMGFFUAQGIHZGW-QFBILLFUSA-N 1 1 303.494 3.447 10 10 DGCEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(C)ccc1O ZINC000246195835 662250521 /nfs/dbraw/zinc/25/05/21/662250521.db2.gz LOQUJGJCUYAUNT-IMJJTQAJSA-N 1 1 303.402 3.007 10 10 DGCEMO COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000720193542 662306419 /nfs/dbraw/zinc/30/64/19/662306419.db2.gz IDYJYPLFDCSBGM-SECBINFHSA-N 1 1 302.212 3.058 10 10 DGCEMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCSC2)c1 ZINC000381563065 685157356 /nfs/dbraw/zinc/15/73/56/685157356.db2.gz RXULGDGVUVWJLR-SNVBAGLBSA-N 1 1 302.237 3.058 10 10 DGCEMO c1cc(N2CCCC2)ccc1CNCC[NH+]1CCCCCC1 ZINC000382386998 1197705277 /nfs/dbraw/zinc/70/52/77/1197705277.db2.gz OMABSFJDAMDSFY-UHFFFAOYSA-N 1 1 301.478 3.252 10 10 DGCEMO C[NH+](C)[C@@H](CNCc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000097503616 1199139696 /nfs/dbraw/zinc/13/96/96/1199139696.db2.gz PCJDONCVBISJBX-SFHVURJKSA-N 1 1 302.462 3.222 10 10 DGCEMO C[N@H+]1CCc2cc(O)c(O)c(Sc3ccccc3)c2CC1 ZINC000005966809 181302007 /nfs/dbraw/zinc/30/20/07/181302007.db2.gz XWXULQBTDLGTNR-UHFFFAOYSA-N 1 1 301.411 3.279 10 10 DGCEMO c1cn(Cc2ccccc2)nc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000283980447 131037702 /nfs/dbraw/zinc/03/77/02/131037702.db2.gz LMEYLWRXZMHISI-UHFFFAOYSA-N 1 1 319.408 3.156 10 10 DGCEMO c1coc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000093335163 431914227 /nfs/dbraw/zinc/91/42/27/431914227.db2.gz PHBZYJHMMHWQFF-GOSISDBHSA-N 1 1 312.413 3.453 10 10 DGCEMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000191407019 432262029 /nfs/dbraw/zinc/26/20/29/432262029.db2.gz MCAPARDTJKRNEH-GFCCVEGCSA-N 1 1 322.767 3.233 10 10 DGCEMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000528759667 435028775 /nfs/dbraw/zinc/02/87/75/435028775.db2.gz VFEXKFPYCRYCEW-APKCBFJXSA-N 1 1 311.809 3.150 10 10 DGCEMO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C12CCOCC2 ZINC000186318484 520373410 /nfs/dbraw/zinc/37/34/10/520373410.db2.gz MIYXPIWMMFSLGS-JCURWCKSSA-N 1 1 323.408 3.156 10 10 DGCEMO CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1nccs1 ZINC000185087711 660201088 /nfs/dbraw/zinc/20/10/88/660201088.db2.gz NEXBPEMLOZMVNX-CYBMUJFWSA-N 1 1 308.378 3.431 10 10 DGCEMO Cc1cnc(CC[N@H+](C)Cc2cc3c(cc2O)CCC3)s1 ZINC000178922764 657301722 /nfs/dbraw/zinc/30/17/22/657301722.db2.gz QTHMDNXKWCZNNG-UHFFFAOYSA-N 1 1 302.443 3.320 10 10 DGCEMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H](C)[C@@H](OC)C3)c2c1 ZINC000190188595 662022142 /nfs/dbraw/zinc/02/21/42/662022142.db2.gz XICPVVLCPDKUTQ-DJJJIMSYSA-N 1 1 315.413 3.411 10 10 DGCEMO C[C@H]([NH2+]Cc1cccc(Br)c1O)[C@H]1CCCCO1 ZINC000393685545 685219032 /nfs/dbraw/zinc/21/90/32/685219032.db2.gz VYGZASINIYNAJU-GXFFZTMASA-N 1 1 314.223 3.202 10 10 DGCEMO CS[C@H](C)C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000134751326 1201202613 /nfs/dbraw/zinc/20/26/13/1201202613.db2.gz VANGLNZXNRGVAX-SECBINFHSA-N 1 1 304.253 3.304 10 10 DGCEMO Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000191425895 282214594 /nfs/dbraw/zinc/21/45/94/282214594.db2.gz DDXWXSKCBQXXPP-LBPRGKRZSA-N 1 1 323.799 3.354 10 10 DGCEMO Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000191425895 282214595 /nfs/dbraw/zinc/21/45/95/282214595.db2.gz DDXWXSKCBQXXPP-LBPRGKRZSA-N 1 1 323.799 3.354 10 10 DGCEMO CCOc1cccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1O ZINC000092593972 185327815 /nfs/dbraw/zinc/32/78/15/185327815.db2.gz QVICLMKYXZIETJ-HNNXBMFYSA-N 1 1 319.426 3.426 10 10 DGCEMO CCOc1cccc(C[N@H+]2CCO[C@H](c3cccs3)C2)c1O ZINC000092593972 185327816 /nfs/dbraw/zinc/32/78/16/185327816.db2.gz QVICLMKYXZIETJ-HNNXBMFYSA-N 1 1 319.426 3.426 10 10 DGCEMO CCOc1cccc(C[N@@H+]2CCCC[C@H](N3CCCC3)C2)c1O ZINC000092785655 185340980 /nfs/dbraw/zinc/34/09/80/185340980.db2.gz GWEPRZZJEHDDSB-KRWDZBQOSA-N 1 1 318.461 3.241 10 10 DGCEMO CCOc1cccc(C[N@H+]2CCCC[C@H](N3CCCC3)C2)c1O ZINC000092785655 185340981 /nfs/dbraw/zinc/34/09/81/185340981.db2.gz GWEPRZZJEHDDSB-KRWDZBQOSA-N 1 1 318.461 3.241 10 10 DGCEMO COc1cccc([C@H]2C[N@@H+](Cc3cc(C)ccc3O)CCO2)c1 ZINC000093080264 193200781 /nfs/dbraw/zinc/20/07/81/193200781.db2.gz PGHRJELOFSJKNX-LJQANCHMSA-N 1 1 313.397 3.283 10 10 DGCEMO COc1cccc(C[N@H+]2CCc3cccc(OC)c3CC2)c1O ZINC000194571785 274145961 /nfs/dbraw/zinc/14/59/61/274145961.db2.gz HVVRMTGNDOURQV-UHFFFAOYSA-N 1 1 313.397 3.010 10 10 DGCEMO CCCOc1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c(O)c1 ZINC000121256027 431760956 /nfs/dbraw/zinc/76/09/56/431760956.db2.gz WBEWWEBLCBSPSW-AWEZNQCLSA-N 1 1 315.417 3.284 10 10 DGCEMO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1O ZINC000184681942 432421348 /nfs/dbraw/zinc/42/13/48/432421348.db2.gz OHEMTXLBEIOJFJ-UONOGXRCSA-N 1 1 311.809 3.198 10 10 DGCEMO COc1cccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1O ZINC000245755908 432861535 /nfs/dbraw/zinc/86/15/35/432861535.db2.gz OPUDFSHLPALCOE-WBMJQRKESA-N 1 1 319.426 3.424 10 10 DGCEMO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1O ZINC000245867603 432866726 /nfs/dbraw/zinc/86/67/26/432866726.db2.gz QQMLAXWETUJOLO-MAUKXSAKSA-N 1 1 300.446 3.149 10 10 DGCEMO Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1O ZINC000245867603 432866727 /nfs/dbraw/zinc/86/67/27/432866727.db2.gz QQMLAXWETUJOLO-MAUKXSAKSA-N 1 1 300.446 3.149 10 10 DGCEMO CN(CC1CC1)C(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000732204583 574568032 /nfs/dbraw/zinc/56/80/32/574568032.db2.gz OCKSQEHCONVKDU-UHFFFAOYSA-N 1 1 316.445 3.005 10 10 DGCEMO CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1nccs1 ZINC000185087694 660201105 /nfs/dbraw/zinc/20/11/05/660201105.db2.gz NEXBPEMLOZMVNX-ZDUSSCGKSA-N 1 1 308.378 3.431 10 10 DGCEMO CC(C)(C)OC(=O)N1CC[C@@](C)([NH2+]Cc2cccc(F)c2O)C1 ZINC000701874640 660689511 /nfs/dbraw/zinc/68/95/11/660689511.db2.gz CQUUXYSZFUXXEI-QGZVFWFLSA-N 1 1 324.396 3.020 10 10 DGCEMO CC1(C)CO[C@@H](C[NH2+]Cc2cccc(Br)c2O)C1 ZINC000717395018 661263600 /nfs/dbraw/zinc/26/36/00/661263600.db2.gz NEVDENYGJIYUIJ-LLVKDONJSA-N 1 1 314.223 3.059 10 10 DGCEMO CCC[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1O ZINC000170779320 659236386 /nfs/dbraw/zinc/23/63/86/659236386.db2.gz OGPUAAIMBSVXNE-UHFFFAOYSA-N 1 1 316.376 3.382 10 10 DGCEMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000182366188 660048116 /nfs/dbraw/zinc/04/81/16/660048116.db2.gz UESOAWWLFCCRLK-MNOVXSKESA-N 1 1 319.405 3.493 10 10 DGCEMO Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000092813008 662336269 /nfs/dbraw/zinc/33/62/69/662336269.db2.gz KBWYBVGQGSWFGY-GOSISDBHSA-N 1 1 324.472 3.390 10 10 DGCEMO CC[C@@H]([NH2+]Cc1nn(C)cc1Br)c1ccccc1O ZINC000393348501 685215946 /nfs/dbraw/zinc/21/59/46/685215946.db2.gz MWIRHAJACCCWIN-GFCCVEGCSA-N 1 1 324.222 3.129 10 10 DGCEMO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000389837857 1197710759 /nfs/dbraw/zinc/71/07/59/1197710759.db2.gz LINHCLJMTLPWJB-KSSFIOAISA-N 1 1 314.404 3.141 10 10 DGCEMO Cc1cc(O)c(C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1C ZINC000092812592 185343456 /nfs/dbraw/zinc/34/34/56/185343456.db2.gz KDHAAWHBBKUDPN-MRXNPFEDSA-N 1 1 311.429 3.338 10 10 DGCEMO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccc(F)cc1O ZINC000170788910 432081802 /nfs/dbraw/zinc/08/18/02/432081802.db2.gz VVBLAEKWJILUHQ-DYVFJYSZSA-N 1 1 302.393 3.485 10 10 DGCEMO CCOc1cccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1O ZINC000093438150 193251189 /nfs/dbraw/zinc/25/11/89/193251189.db2.gz MFNPHWNGVCIOFN-HNNXBMFYSA-N 1 1 301.390 3.241 10 10 DGCEMO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cc(Cl)ccc1O ZINC000185585166 533509416 /nfs/dbraw/zinc/50/94/16/533509416.db2.gz ILQHPGRIMHSUNH-MNOVXSKESA-N 1 1 320.824 3.385 10 10 DGCEMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000092594698 431911329 /nfs/dbraw/zinc/91/13/29/431911329.db2.gz OHSFZPJHZKTXKA-INIZCTEOSA-N 1 1 319.426 3.426 10 10 DGCEMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000092594698 431911332 /nfs/dbraw/zinc/91/13/32/431911332.db2.gz OHSFZPJHZKTXKA-INIZCTEOSA-N 1 1 319.426 3.426 10 10 DGCEMO CCCOc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(O)c1 ZINC000093506768 431915820 /nfs/dbraw/zinc/91/58/20/431915820.db2.gz FGWCLHMTEHWYBV-QAPCUYQASA-N 1 1 305.418 3.182 10 10 DGCEMO Cc1ccc([C@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CCO2)o1 ZINC000093864556 431919170 /nfs/dbraw/zinc/91/91/70/431919170.db2.gz WIFQLKLSCHOFOA-GOSISDBHSA-N 1 1 300.402 3.228 10 10 DGCEMO Cc1ccc([C@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)CCO2)o1 ZINC000093864556 431919172 /nfs/dbraw/zinc/91/91/72/431919172.db2.gz WIFQLKLSCHOFOA-GOSISDBHSA-N 1 1 300.402 3.228 10 10 DGCEMO CC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccc(N(C)C)cc1 ZINC000090225407 431890536 /nfs/dbraw/zinc/89/05/36/431890536.db2.gz OTIWEBPHXBHVHU-IRXDYDNUSA-N 1 1 313.449 3.228 10 10 DGCEMO COc1cccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1O ZINC000245755901 432861463 /nfs/dbraw/zinc/86/14/63/432861463.db2.gz OPUDFSHLPALCOE-LRDDRELGSA-N 1 1 319.426 3.424 10 10 DGCEMO Nc1ccc([NH+]2CCC(N3Cc4ccccc4NC3=O)CC2)cc1 ZINC000584622110 337375097 /nfs/dbraw/zinc/37/50/97/337375097.db2.gz RZHAZBTUVLZVAC-UHFFFAOYSA-N 1 1 322.412 3.285 10 10 DGCEMO CC(=O)c1cc(F)cc(C[N@@H+](C)CCc2ncc(C)s2)c1O ZINC000157642401 518282575 /nfs/dbraw/zinc/28/25/75/518282575.db2.gz GZVIRIRYNQRBTJ-UHFFFAOYSA-N 1 1 322.405 3.173 10 10 DGCEMO COc1ccc(O)c(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c1 ZINC000180021822 524745881 /nfs/dbraw/zinc/74/58/81/524745881.db2.gz FIMHPVSPNJSPDG-KUHUBIRLSA-N 1 1 313.397 3.363 10 10 DGCEMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NC(C)(C)C)cc1F ZINC000120667287 621967143 /nfs/dbraw/zinc/96/71/43/621967143.db2.gz VAGLVHIKCHQRKR-UHFFFAOYSA-N 1 1 323.456 3.018 10 10 DGCEMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)NC(C)(C)C)cc1F ZINC000120667287 621967145 /nfs/dbraw/zinc/96/71/45/621967145.db2.gz VAGLVHIKCHQRKR-UHFFFAOYSA-N 1 1 323.456 3.018 10 10 DGCEMO CCC[N@@H+](Cc1nc(-c2ccoc2)no1)Cc1ccccc1O ZINC000105609012 630848187 /nfs/dbraw/zinc/84/81/87/630848187.db2.gz JUXOCGYMYXBURS-UHFFFAOYSA-N 1 1 313.357 3.447 10 10 DGCEMO Oc1cc2c(cc1C[N@H+]1Cc3ccccc3C3(CC3)C1)OCO2 ZINC000185148523 660203995 /nfs/dbraw/zinc/20/39/95/660203995.db2.gz APMQGUSQGGPKTE-UHFFFAOYSA-N 1 1 309.365 3.168 10 10 DGCEMO C[C@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1ccc(F)cc1O ZINC000185091554 660201310 /nfs/dbraw/zinc/20/13/10/660201310.db2.gz 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[O-]c1c(F)cccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309766007 434095169 /nfs/dbraw/zinc/09/51/69/434095169.db2.gz ZLCYSLZJSOCRIN-INIZCTEOSA-N 1 1 314.404 3.143 10 10 DGCEMO c1cc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)cc2c1OCC2 ZINC000527751121 435013808 /nfs/dbraw/zinc/01/38/08/435013808.db2.gz HJVAWGOFLYIULC-GOSISDBHSA-N 1 1 300.446 3.118 10 10 DGCEMO c1cc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cc2c1OCC2 ZINC000527751121 435013810 /nfs/dbraw/zinc/01/38/10/435013810.db2.gz HJVAWGOFLYIULC-GOSISDBHSA-N 1 1 300.446 3.118 10 10 DGCEMO Cc1cc(Cl)cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1O ZINC000180684102 524865281 /nfs/dbraw/zinc/86/52/81/524865281.db2.gz SBARPEQMOQUNOB-KBPBESRZSA-N 1 1 313.850 3.060 10 10 DGCEMO Cc1csc([C@H]2C[N@H+](Cc3cc(C)c(C)cc3O)CCO2)n1 ZINC000156512130 526446064 /nfs/dbraw/zinc/44/60/64/526446064.db2.gz HPCYKWPDXRKFPP-MRXNPFEDSA-N 1 1 318.442 3.347 10 10 DGCEMO Cc1csc([C@H]2C[N@@H+](Cc3cc(C)c(C)cc3O)CCO2)n1 ZINC000156512130 526446070 /nfs/dbraw/zinc/44/60/70/526446070.db2.gz HPCYKWPDXRKFPP-MRXNPFEDSA-N 1 1 318.442 3.347 10 10 DGCEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000151648778 620468261 /nfs/dbraw/zinc/46/82/61/620468261.db2.gz QJLOOLYWSBCSHZ-CQSZACIVSA-N 1 1 305.418 3.209 10 10 DGCEMO C[C@@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)c1ccc(F)cc1O ZINC000185091575 660201269 /nfs/dbraw/zinc/20/12/69/660201269.db2.gz MKDPNEWOXUGGIG-RHSMWYFYSA-N 1 1 316.420 3.355 10 10 DGCEMO C[C@@H]1[C@@H]([NH2+]Cc2cccc(F)c2O)CCN1C(=O)OC(C)(C)C ZINC000700753443 660632950 /nfs/dbraw/zinc/63/29/50/660632950.db2.gz KQTZPBVVNHEERV-RISCZKNCSA-N 1 1 324.396 3.019 10 10 DGCEMO C[C@@H](COCc1ccccc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708555065 660923865 /nfs/dbraw/zinc/92/38/65/660923865.db2.gz KYACDGXDJGHCFJ-LBPRGKRZSA-N 1 1 307.340 3.365 10 10 DGCEMO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1CC[NH3+] ZINC000723883753 655728490 /nfs/dbraw/zinc/72/84/90/655728490.db2.gz QIPUMBKSYATIOM-NXEZZACHSA-N 1 1 303.233 3.116 10 10 DGCEMO CC1([NH2+]Cc2cccc(Br)c2O)CC(F)(F)C1 ZINC000720934695 658236811 /nfs/dbraw/zinc/23/68/11/658236811.db2.gz JXWBNYMZBDPYEP-UHFFFAOYSA-N 1 1 306.150 3.432 10 10 DGCEMO CO[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@@H]1C ZINC000188296119 661924915 /nfs/dbraw/zinc/92/49/15/661924915.db2.gz XMQDNQIYDOZNPG-HZMBPMFUSA-N 1 1 314.223 3.012 10 10 DGCEMO CO[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@H]1C ZINC000188296092 661924999 /nfs/dbraw/zinc/92/49/99/661924999.db2.gz XMQDNQIYDOZNPG-YGRLFVJLSA-N 1 1 314.223 3.012 10 10 DGCEMO CCCN(CCC)c1ccc(C[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000093013612 662342940 /nfs/dbraw/zinc/34/29/40/662342940.db2.gz NQYDTMVOYSGTKN-UHFFFAOYSA-N 1 1 318.461 3.262 10 10 DGCEMO CC[C@H]([NH2+]Cc1nn(C)cc1Br)c1ccccc1O ZINC000393348502 685216455 /nfs/dbraw/zinc/21/64/55/685216455.db2.gz MWIRHAJACCCWIN-LBPRGKRZSA-N 1 1 324.222 3.129 10 10 DGCEMO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C)nc32)cc1 ZINC000090227351 185287718 /nfs/dbraw/zinc/28/77/18/185287718.db2.gz LLPRDZWJTARCBV-CXAGYDPISA-N 1 1 313.449 3.228 10 10 DGCEMO CC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccc(N(C)C)cc1 ZINC000090225405 185287790 /nfs/dbraw/zinc/28/77/90/185287790.db2.gz OTIWEBPHXBHVHU-DLBZAZTESA-N 1 1 313.449 3.228 10 10 DGCEMO Cc1ccc(O)c(C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1 ZINC000092813335 185343700 /nfs/dbraw/zinc/34/37/00/185343700.db2.gz CVFBACDGYRGMLB-MRXNPFEDSA-N 1 1 311.429 3.338 10 10 DGCEMO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1nnc2n1CCCC2 ZINC000185585207 533532972 /nfs/dbraw/zinc/53/29/72/533532972.db2.gz ILQHPGRIMHSUNH-GHMZBOCLSA-N 1 1 320.824 3.385 10 10 DGCEMO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1nnc2n1CCCC2 ZINC000130887242 533534704 /nfs/dbraw/zinc/53/47/04/533534704.db2.gz RVORDTJWYFMRPH-ZIAGYGMSSA-N 1 1 313.449 3.092 10 10 DGCEMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179554836 228352287 /nfs/dbraw/zinc/35/22/87/228352287.db2.gz LRLIWSYRPOJTEO-MRXNPFEDSA-N 1 1 310.397 3.243 10 10 DGCEMO CCCCN1C(=O)CC[C@@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]21 ZINC000014992333 431601164 /nfs/dbraw/zinc/60/11/64/431601164.db2.gz JBKHZUHPLBWAHJ-WBVHZDCISA-N 1 1 316.445 3.005 10 10 DGCEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000092813965 431912236 /nfs/dbraw/zinc/91/22/36/431912236.db2.gz YHXIPQLQGVWUON-LBPRGKRZSA-N 1 1 321.808 3.192 10 10 DGCEMO CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c(O)c1 ZINC000093841684 431917842 /nfs/dbraw/zinc/91/78/42/431917842.db2.gz PXWCWPHBBIBYGK-GOSISDBHSA-N 1 1 317.385 3.348 10 10 DGCEMO CCCOc1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c(O)c1 ZINC000093841684 431917844 /nfs/dbraw/zinc/91/78/44/431917844.db2.gz PXWCWPHBBIBYGK-GOSISDBHSA-N 1 1 317.385 3.348 10 10 DGCEMO CCOc1cccc(C[N@@H+](C)CCc2ncc(C)s2)c1O ZINC000093807212 431917872 /nfs/dbraw/zinc/91/78/72/431917872.db2.gz MFVSLOFFOWEQCL-UHFFFAOYSA-N 1 1 306.431 3.230 10 10 DGCEMO CC[C@@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccc(N(C)C)cc1 ZINC000090225406 431890323 /nfs/dbraw/zinc/89/03/23/431890323.db2.gz OTIWEBPHXBHVHU-IAGOWNOFSA-N 1 1 313.449 3.228 10 10 DGCEMO Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccccc2O)c2ccccc2)[nH]1 ZINC000154166217 432478406 /nfs/dbraw/zinc/47/84/06/432478406.db2.gz UXHGDYVOQICPFB-SJCJKPOMSA-N 1 1 308.385 3.259 10 10 DGCEMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000245872249 432867343 /nfs/dbraw/zinc/86/73/43/432867343.db2.gz RWRJCFTWODZKIQ-WMLDXEAASA-N 1 1 317.385 3.082 10 10 DGCEMO Cc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1O ZINC000180778432 524410335 /nfs/dbraw/zinc/41/03/35/524410335.db2.gz ZJQSQWJGNPWLRA-RHSMWYFYSA-N 1 1 319.351 3.287 10 10 DGCEMO Oc1ccc(F)cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000180287033 526348390 /nfs/dbraw/zinc/34/83/90/526348390.db2.gz KLASXULQUTVEGO-CZUORRHYSA-N 1 1 323.314 3.117 10 10 DGCEMO Oc1ccc(F)cc1C[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000180287033 526348392 /nfs/dbraw/zinc/34/83/92/526348392.db2.gz KLASXULQUTVEGO-CZUORRHYSA-N 1 1 323.314 3.117 10 10 DGCEMO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185685063 528333221 /nfs/dbraw/zinc/33/32/21/528333221.db2.gz XGOYGJCEVKYLHE-SMDDNHRTSA-N 1 1 318.396 3.432 10 10 DGCEMO CO[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@@H]1C ZINC000221275364 618621200 /nfs/dbraw/zinc/62/12/00/618621200.db2.gz XMQDNQIYDOZNPG-IINYFYTJSA-N 1 1 314.223 3.012 10 10 DGCEMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(Br)cc2O)o1 ZINC000700992962 660647649 /nfs/dbraw/zinc/64/76/49/660647649.db2.gz KVAGRSLZBOSONR-SECBINFHSA-N 1 1 311.179 3.302 10 10 DGCEMO CC[N@@H+](CCc1nccs1)Cc1cc(OC)c(C)cc1O ZINC000160484354 655643981 /nfs/dbraw/zinc/64/39/81/655643981.db2.gz DKDLAEMQIJARNC-UHFFFAOYSA-N 1 1 306.431 3.230 10 10 DGCEMO C[C@H]1[C@H]([NH2+]Cc2cccc(F)c2O)CCN1Cc1ccccc1 ZINC000309911662 656102195 /nfs/dbraw/zinc/10/21/95/656102195.db2.gz SDFTUSDCOLVHOI-KBXCAEBGSA-N 1 1 314.404 3.284 10 10 DGCEMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1O ZINC000164388044 658930374 /nfs/dbraw/zinc/93/03/74/658930374.db2.gz WLKXEKLPCDEYHL-MRXNPFEDSA-N 1 1 315.417 3.051 10 10 DGCEMO CCC[N@H+](Cc1nnc(C)n1C1CC1)Cc1ccccc1O ZINC000170779122 659236702 /nfs/dbraw/zinc/23/67/02/659236702.db2.gz GTARYPCMFAPFFI-UHFFFAOYSA-N 1 1 300.406 3.039 10 10 DGCEMO CCC[N@@H+](Cc1nnc(C)n1C1CC1)Cc1ccccc1O ZINC000170779122 659236704 /nfs/dbraw/zinc/23/67/04/659236704.db2.gz GTARYPCMFAPFFI-UHFFFAOYSA-N 1 1 300.406 3.039 10 10 DGCEMO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000189991837 662000378 /nfs/dbraw/zinc/00/03/78/662000378.db2.gz JJVJCXZFGHKROJ-IBGZPJMESA-N 1 1 316.445 3.204 10 10 DGCEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C)ccc1O ZINC000246195825 662250212 /nfs/dbraw/zinc/25/02/12/662250212.db2.gz LOQUJGJCUYAUNT-BPUTZDHNSA-N 1 1 303.402 3.007 10 10 DGCEMO CN(C)c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000193454887 1201272241 /nfs/dbraw/zinc/27/22/41/1201272241.db2.gz IILUOZSUKOVYMW-QZTJIDSGSA-N 1 1 320.502 3.239 10 10 DGCEMO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000092593343 185327910 /nfs/dbraw/zinc/32/79/10/185327910.db2.gz YZFQRISPBCGLBA-MRXNPFEDSA-N 1 1 302.443 3.388 10 10 DGCEMO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000092593343 185327911 /nfs/dbraw/zinc/32/79/11/185327911.db2.gz YZFQRISPBCGLBA-MRXNPFEDSA-N 1 1 302.443 3.388 10 10 DGCEMO Oc1cc2c(cc1C[N@@H+]1CCc3[nH]c4ccccc4c3C1)OCO2 ZINC000179849801 432072951 /nfs/dbraw/zinc/07/29/51/432072951.db2.gz LMWGKPYNPJBMFV-UHFFFAOYSA-N 1 1 322.364 3.161 10 10 DGCEMO Oc1cc2c(cc1C[N@H+]1CCc3[nH]c4ccccc4c3C1)OCO2 ZINC000179849801 432072954 /nfs/dbraw/zinc/07/29/54/432072954.db2.gz LMWGKPYNPJBMFV-UHFFFAOYSA-N 1 1 322.364 3.161 10 10 DGCEMO CC[C@@H](C(=O)Nc1ccc(N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000062460731 184238161 /nfs/dbraw/zinc/23/81/61/184238161.db2.gz XZDSCWMKXOMQOQ-SFHVURJKSA-N 1 1 309.413 3.044 10 10 DGCEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000092813966 431911740 /nfs/dbraw/zinc/91/17/40/431911740.db2.gz YHXIPQLQGVWUON-GFCCVEGCSA-N 1 1 321.808 3.192 10 10 DGCEMO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1nccs1)OCO2 ZINC000195303308 432616781 /nfs/dbraw/zinc/61/67/81/432616781.db2.gz OYAHZRCRSDBDRD-GFCCVEGCSA-N 1 1 318.398 3.305 10 10 DGCEMO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1nccs1)OCO2 ZINC000195303308 432616783 /nfs/dbraw/zinc/61/67/83/432616783.db2.gz OYAHZRCRSDBDRD-GFCCVEGCSA-N 1 1 318.398 3.305 10 10 DGCEMO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245644061 432853327 /nfs/dbraw/zinc/85/33/27/432853327.db2.gz FFESWHLGOBAHRX-GUYCJALGSA-N 1 1 320.864 3.494 10 10 DGCEMO [O-]c1c(Cl)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245644061 432853329 /nfs/dbraw/zinc/85/33/29/432853329.db2.gz FFESWHLGOBAHRX-GUYCJALGSA-N 1 1 320.864 3.494 10 10 DGCEMO [O-]c1c(Cl)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245644061 432853331 /nfs/dbraw/zinc/85/33/31/432853331.db2.gz FFESWHLGOBAHRX-GUYCJALGSA-N 1 1 320.864 3.494 10 10 DGCEMO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccc(C)c3O)C2)n1 ZINC000179989074 524682110 /nfs/dbraw/zinc/68/21/10/524682110.db2.gz JCCFNPVXTBMNBP-MRXNPFEDSA-N 1 1 311.429 3.338 10 10 DGCEMO Cc1cc(Cl)cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000180684124 524865884 /nfs/dbraw/zinc/86/58/84/524865884.db2.gz SBARPEQMOQUNOB-UONOGXRCSA-N 1 1 313.850 3.060 10 10 DGCEMO COc1cccc(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c1O ZINC000130658254 525957222 /nfs/dbraw/zinc/95/72/22/525957222.db2.gz FHLVTSATJNTXCJ-KBXCAEBGSA-N 1 1 313.397 3.363 10 10 DGCEMO Cc1cc(Br)cc(C[N@@H+](C)C[C@H]2CCCO2)c1O ZINC000124529366 623153336 /nfs/dbraw/zinc/15/33/36/623153336.db2.gz INIQGHUXKBZFBA-CYBMUJFWSA-N 1 1 314.223 3.074 10 10 DGCEMO Cc1cc(O)c(C[N@@H+](C)CC(=O)NC(C)(C)C)cc1C(C)C ZINC000008147859 632534292 /nfs/dbraw/zinc/53/42/92/632534292.db2.gz ZEEIWQPFGBNYHK-UHFFFAOYSA-N 1 1 306.450 3.171 10 10 DGCEMO C[C@@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)c1ccc(F)cc1O ZINC000185091535 660201271 /nfs/dbraw/zinc/20/12/71/660201271.db2.gz MKDPNEWOXUGGIG-PBHICJAKSA-N 1 1 316.420 3.355 10 10 DGCEMO Cc1cc(C)n2c(C[N@H+](C)Cc3ccc(N(C)C)cc3)cnc2n1 ZINC000156470531 658924872 /nfs/dbraw/zinc/92/48/72/658924872.db2.gz RFYAKPFRGKZMKF-UHFFFAOYSA-N 1 1 323.444 3.044 10 10 DGCEMO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000164779790 658945091 /nfs/dbraw/zinc/94/50/91/658945091.db2.gz ROYWCDYABVWFTL-HNNXBMFYSA-N 1 1 300.450 3.456 10 10 DGCEMO CCOc1ccc(O)c(C[N@@H+](C)CCc2ccccc2OC)c1 ZINC000093105311 662344236 /nfs/dbraw/zinc/34/42/36/662344236.db2.gz AISSEVMOQQHPEN-UHFFFAOYSA-N 1 1 315.413 3.474 10 10 DGCEMO c1cc(N2CCCCC2)ccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000393443738 1197719059 /nfs/dbraw/zinc/71/90/59/1197719059.db2.gz ZYZPXCLEBASQDT-ICSRJNTNSA-N 1 1 313.489 3.393 10 10 DGCEMO c1cc(N2CCCCC2)ccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000393443738 1197719062 /nfs/dbraw/zinc/71/90/62/1197719062.db2.gz ZYZPXCLEBASQDT-ICSRJNTNSA-N 1 1 313.489 3.393 10 10 DGCEMO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000236674192 1202618778 /nfs/dbraw/zinc/61/87/78/1202618778.db2.gz CXWUMAODVHQFJF-GOSISDBHSA-N 1 1 313.489 3.251 10 10 DGCEMO CN(C)c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000248725934 1203810137 /nfs/dbraw/zinc/81/01/37/1203810137.db2.gz IILUOZSUKOVYMW-ZWKOTPCHSA-N 1 1 320.502 3.239 10 10 DGCEMO Cc1cc(O)c(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1C ZINC000092812593 185343429 /nfs/dbraw/zinc/34/34/29/185343429.db2.gz KDHAAWHBBKUDPN-INIZCTEOSA-N 1 1 311.429 3.338 10 10 DGCEMO OC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1c1ccsc1 ZINC000190297517 432141410 /nfs/dbraw/zinc/14/14/10/432141410.db2.gz ZIYRSQKEXUAGDY-ZFWWWQNUSA-N 1 1 323.845 3.315 10 10 DGCEMO Cc1cc([C@H]2C[N@@H+](Cc3ccccc3O)CCO2)ccc1F ZINC000179579349 228352264 /nfs/dbraw/zinc/35/22/64/228352264.db2.gz WCDQHODGHVLYFK-GOSISDBHSA-N 1 1 301.361 3.413 10 10 DGCEMO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000109771816 431179841 /nfs/dbraw/zinc/17/98/41/431179841.db2.gz VQEJIDZPNTYGKJ-HUUCEWRRSA-N 1 1 312.413 3.090 10 10 DGCEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000122830000 431846330 /nfs/dbraw/zinc/84/63/30/431846330.db2.gz UISHYSQPEFANLC-SFHVURJKSA-N 1 1 312.461 3.349 10 10 DGCEMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768585 431917641 /nfs/dbraw/zinc/91/76/41/431917641.db2.gz HBYNRJUVRIAOOK-QGZVFWFLSA-N 1 1 319.426 3.426 10 10 DGCEMO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768585 431917644 /nfs/dbraw/zinc/91/76/44/431917644.db2.gz HBYNRJUVRIAOOK-QGZVFWFLSA-N 1 1 319.426 3.426 10 10 DGCEMO Cc1ccc([C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3)CCO2)o1 ZINC000093864555 431918973 /nfs/dbraw/zinc/91/89/73/431918973.db2.gz WIFQLKLSCHOFOA-SFHVURJKSA-N 1 1 300.402 3.228 10 10 DGCEMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)CCO2)o1 ZINC000093864555 431918974 /nfs/dbraw/zinc/91/89/74/431918974.db2.gz WIFQLKLSCHOFOA-SFHVURJKSA-N 1 1 300.402 3.228 10 10 DGCEMO Nc1ccc([NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000584626586 337376011 /nfs/dbraw/zinc/37/60/11/337376011.db2.gz SLLDZTYQDNOJKH-UHFFFAOYSA-N 1 1 308.385 3.166 10 10 DGCEMO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000179887905 524742953 /nfs/dbraw/zinc/74/29/53/524742953.db2.gz XPYXNFIBEVYSSY-OAHLLOKOSA-N 1 1 305.399 3.036 10 10 DGCEMO COc1ccc(O)c(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000179887905 524742964 /nfs/dbraw/zinc/74/29/64/524742964.db2.gz XPYXNFIBEVYSSY-OAHLLOKOSA-N 1 1 305.399 3.036 10 10 DGCEMO Oc1c(Br)cccc1C[NH2+]CCOC1CCCC1 ZINC000111607873 620740797 /nfs/dbraw/zinc/74/07/97/620740797.db2.gz IYJNQXZEUZAYJZ-UHFFFAOYSA-N 1 1 314.223 3.204 10 10 DGCEMO CCCN(CCC)c1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000154989731 620752709 /nfs/dbraw/zinc/75/27/09/620752709.db2.gz BUPMQMQYNUHVIM-QGZVFWFLSA-N 1 1 317.477 3.010 10 10 DGCEMO Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CCCO2)c1O ZINC000124529154 623153762 /nfs/dbraw/zinc/15/37/62/623153762.db2.gz INIQGHUXKBZFBA-ZDUSSCGKSA-N 1 1 314.223 3.074 10 10 DGCEMO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCS1 ZINC000131301771 626622608 /nfs/dbraw/zinc/62/26/08/626622608.db2.gz AFAPCOAJPXZEQF-VIFPVBQESA-N 1 1 302.237 3.092 10 10 DGCEMO CO[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[C@@H]1C ZINC000707138782 660888257 /nfs/dbraw/zinc/88/82/57/660888257.db2.gz HFJUOGGRWKFGKI-HZMBPMFUSA-N 1 1 314.223 3.012 10 10 DGCEMO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C[C@H](C)O1 ZINC000707144984 660890107 /nfs/dbraw/zinc/89/01/07/660890107.db2.gz CKUQNERLBZUWCO-MNOVXSKESA-N 1 1 314.223 3.154 10 10 DGCEMO COc1ccccc1CC[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000160152075 655523702 /nfs/dbraw/zinc/52/37/02/655523702.db2.gz SDCOCAWMKSGWQF-UHFFFAOYSA-N 1 1 315.413 3.392 10 10 DGCEMO COc1ccc(O)c(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000180456150 659962824 /nfs/dbraw/zinc/96/28/24/659962824.db2.gz WDPSEMVSKDFQTF-KRWDZBQOSA-N 1 1 305.418 3.324 10 10 DGCEMO Oc1c(Br)cccc1C[NH2+][C@@H]1COc2ccccc21 ZINC000070070143 660036143 /nfs/dbraw/zinc/03/61/43/660036143.db2.gz FOTHMUPJNIVFTP-CYBMUJFWSA-N 1 1 320.186 3.378 10 10 DGCEMO CCCN(CCC)c1ccc(C[N@H+]2CCC[C@H]2C(=O)NC)cc1 ZINC000092099535 662327436 /nfs/dbraw/zinc/32/74/36/662327436.db2.gz JMKJVOVQTFLEOX-SFHVURJKSA-N 1 1 317.477 3.023 10 10 DGCEMO c1cc(N2CCCC2)ccc1CNCCC[NH+]1CCCCC1 ZINC000393563005 1197719882 /nfs/dbraw/zinc/71/98/82/1197719882.db2.gz XROKMGGLQSEEOF-UHFFFAOYSA-N 1 1 301.478 3.252 10 10 DGCEMO CN(C)c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000193454873 1201272386 /nfs/dbraw/zinc/27/23/86/1201272386.db2.gz IILUOZSUKOVYMW-MSOLQXFVSA-N 1 1 320.502 3.239 10 10 DGCEMO