smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2ccccc2nc1[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000086252472 1032256791 /nfs/dbraw/zinc/25/67/91/1032256791.db2.gz XXIXVAQOXAKZRJ-LJQANCHMSA-N 1 1 316.408 3.781 10 0 DHAEMO O=C(Nc1cccc2ccccc21)N1CCC[N@H+](C2CC2)CC1 ZINC000057987967 1025911969 /nfs/dbraw/zinc/91/19/69/1025911969.db2.gz HTUFXZXLMMFSFZ-UHFFFAOYSA-N 1 1 309.413 3.542 10 0 DHAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000088559865 185257987 /nfs/dbraw/zinc/25/79/87/185257987.db2.gz GWIQYJOVOJVKTQ-YGRLFVJLSA-N 1 1 322.815 3.819 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000090224839 185287189 /nfs/dbraw/zinc/28/71/89/185287189.db2.gz RCGQCHREHYWGIZ-SCLBCKFNSA-N 1 1 310.445 3.651 10 0 DHAEMO CC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccc(Cl)cc1 ZINC000090224899 185287313 /nfs/dbraw/zinc/28/73/13/185287313.db2.gz SAUILYNAKMISNS-LSDHHAIUSA-N 1 1 304.825 3.816 10 0 DHAEMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2cccc(Br)c2)C1 ZINC000070136232 190861365 /nfs/dbraw/zinc/86/13/65/190861365.db2.gz LEBZHYRMZLSTLG-BETUJISGSA-N 1 1 312.251 3.806 10 0 DHAEMO Cc1ccsc1C[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000092094577 193156079 /nfs/dbraw/zinc/15/60/79/193156079.db2.gz BYSUHJCHQXJLFO-IUODEOHRSA-N 1 1 309.381 3.643 10 0 DHAEMO Cc1ccsc1C[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000092094577 193156081 /nfs/dbraw/zinc/15/60/81/193156081.db2.gz BYSUHJCHQXJLFO-IUODEOHRSA-N 1 1 309.381 3.643 10 0 DHAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(Nc1ccc(F)cc1Br)C2 ZINC000020524065 182227255 /nfs/dbraw/zinc/22/72/55/182227255.db2.gz SMQBPFSEIMWSNL-YOGCLGLASA-N 1 1 313.214 3.625 10 0 DHAEMO CCNc1[nH+]cnc(NC(c2ccccc2)c2ccccc2)c1N ZINC000040707409 183121048 /nfs/dbraw/zinc/12/10/48/183121048.db2.gz ZXTUULIXTDMQHL-UHFFFAOYSA-N 1 1 319.412 3.692 10 0 DHAEMO CCNc1nc[nH+]c(NC(c2ccccc2)c2ccccc2)c1N ZINC000040707409 183121051 /nfs/dbraw/zinc/12/10/51/183121051.db2.gz ZXTUULIXTDMQHL-UHFFFAOYSA-N 1 1 319.412 3.692 10 0 DHAEMO CC(C)C[C@@H](C)[N@H+](C)[C@@H](CN)c1ccc(Br)s1 ZINC000042577482 183286654 /nfs/dbraw/zinc/28/66/54/183286654.db2.gz FYSZFPBTGCABIX-MNOVXSKESA-N 1 1 319.312 3.877 10 0 DHAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@@H](CN)c1ccc(Br)s1 ZINC000042577482 183286657 /nfs/dbraw/zinc/28/66/57/183286657.db2.gz FYSZFPBTGCABIX-MNOVXSKESA-N 1 1 319.312 3.877 10 0 DHAEMO CC(C)C[N@@H+](C(C)C)[C@@H](CN)c1cccc(Br)c1 ZINC000042579569 183287171 /nfs/dbraw/zinc/28/71/71/183287171.db2.gz BGRGUSKRCFMCDK-HNNXBMFYSA-N 1 1 313.283 3.815 10 0 DHAEMO CC(C)C[C@@H](C)[N@H+](C)CC(=O)c1ccccc1Br ZINC000042586867 183287580 /nfs/dbraw/zinc/28/75/80/183287580.db2.gz WLQWGJCFHPVLCI-GFCCVEGCSA-N 1 1 312.251 3.998 10 0 DHAEMO CC(C)C[C@@H](C)[N@@H+](C)CC(=O)c1ccccc1Br ZINC000042586867 183287582 /nfs/dbraw/zinc/28/75/82/183287582.db2.gz WLQWGJCFHPVLCI-GFCCVEGCSA-N 1 1 312.251 3.998 10 0 DHAEMO CCCC[N@H+](C)[C@H](c1ccc(Br)cc1)[C@H](N)CC ZINC000042952510 183320944 /nfs/dbraw/zinc/32/09/44/183320944.db2.gz GQAZOVIRSJOFHQ-HUUCEWRRSA-N 1 1 313.283 3.959 10 0 DHAEMO CCCC[N@@H+](C)[C@H](c1ccc(Br)cc1)[C@H](N)CC ZINC000042952510 183320946 /nfs/dbraw/zinc/32/09/46/183320946.db2.gz GQAZOVIRSJOFHQ-HUUCEWRRSA-N 1 1 313.283 3.959 10 0 DHAEMO CC[C@H](N)[C@@H](c1ccc(Br)cc1)[N@H+](CC)C1CC1 ZINC000042952771 183321396 /nfs/dbraw/zinc/32/13/96/183321396.db2.gz CENHFVVZCLPKTI-LSDHHAIUSA-N 1 1 311.267 3.712 10 0 DHAEMO CC[C@H](N)[C@@H](c1ccc(Br)cc1)[N@@H+](CC)C1CC1 ZINC000042952771 183321399 /nfs/dbraw/zinc/32/13/99/183321399.db2.gz CENHFVVZCLPKTI-LSDHHAIUSA-N 1 1 311.267 3.712 10 0 DHAEMO C[C@@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](C)C1CCCC1 ZINC000043020335 183328474 /nfs/dbraw/zinc/32/84/74/183328474.db2.gz LUUVWZFOCVTCHI-ABAIWWIYSA-N 1 1 311.267 3.712 10 0 DHAEMO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)C1CCCC1 ZINC000043020335 183328476 /nfs/dbraw/zinc/32/84/76/183328476.db2.gz LUUVWZFOCVTCHI-ABAIWWIYSA-N 1 1 311.267 3.712 10 0 DHAEMO CCCN(CCC)[C@@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043019945 183328973 /nfs/dbraw/zinc/32/89/73/183328973.db2.gz MKSJAESILHQSSI-SWLSCSKDSA-N 1 1 313.283 3.959 10 0 DHAEMO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](C)CC(C)C ZINC000043020376 183329146 /nfs/dbraw/zinc/32/91/46/183329146.db2.gz MPOBURSQCXAMBL-LSDHHAIUSA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CC(C)C ZINC000043020376 183329149 /nfs/dbraw/zinc/32/91/49/183329149.db2.gz MPOBURSQCXAMBL-LSDHHAIUSA-N 1 1 313.283 3.815 10 0 DHAEMO CC(C)(C)[NH2+]Cc1c[nH]c(Cc2ccccc2Br)n1 ZINC000062821546 184254380 /nfs/dbraw/zinc/25/43/80/184254380.db2.gz HDAXYILULKTPER-UHFFFAOYSA-N 1 1 322.250 3.651 10 0 DHAEMO c1csc(C[N@@H+]2CCC[C@H]2c2nc(-c3cccnc3)no2)c1 ZINC000065286690 184322083 /nfs/dbraw/zinc/32/20/83/184322083.db2.gz JKDXWGHHAMFTHP-AWEZNQCLSA-N 1 1 312.398 3.530 10 0 DHAEMO c1csc(C[N@H+]2CCC[C@H]2c2nc(-c3cccnc3)no2)c1 ZINC000065286690 184322085 /nfs/dbraw/zinc/32/20/85/184322085.db2.gz JKDXWGHHAMFTHP-AWEZNQCLSA-N 1 1 312.398 3.530 10 0 DHAEMO Cn1cc([C@@H]2CCC[N@H+]2[C@@H]2CCc3c2cccc3Cl)cn1 ZINC000152403347 335057367 /nfs/dbraw/zinc/05/73/67/335057367.db2.gz JCWZMUUPISLIQQ-DLBZAZTESA-N 1 1 301.821 3.898 10 0 DHAEMO Cc1nc(COC[C@]23CCC[C@H]2C[N@H+](C2CCC2)C3)cs1 ZINC000248073465 257109419 /nfs/dbraw/zinc/10/94/19/257109419.db2.gz ZAYXTDDFQWEASN-WMLDXEAASA-N 1 1 306.475 3.623 10 0 DHAEMO C[N@@H+](CCSc1cc(Cl)ccc1Cl)CC1CC(O)C1 ZINC000091490692 332071446 /nfs/dbraw/zinc/07/14/46/332071446.db2.gz VEXOPEZDYYRUPB-UHFFFAOYSA-N 1 1 320.285 3.788 10 0 DHAEMO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1cccc(F)c1F ZINC000183213116 333053105 /nfs/dbraw/zinc/05/31/05/333053105.db2.gz ZYJRDIXLAASEJV-SUMWQHHRSA-N 1 1 304.384 3.918 10 0 DHAEMO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)n2C)cc1 ZINC000179532386 333152235 /nfs/dbraw/zinc/15/22/35/333152235.db2.gz DQGMUNOJMPGTTL-AWEZNQCLSA-N 1 1 316.449 3.577 10 0 DHAEMO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CCSc1ccccc1 ZINC000228486908 333386835 /nfs/dbraw/zinc/38/68/35/333386835.db2.gz GIBHPQMYNQVVIG-FGTMMUONSA-N 1 1 305.487 3.794 10 0 DHAEMO CC(C)[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccccc1Cl ZINC000187729646 334269752 /nfs/dbraw/zinc/26/97/52/334269752.db2.gz LXMXHSKPNGTGFN-OAHLLOKOSA-N 1 1 306.793 3.519 10 0 DHAEMO CC(=O)N(c1nc(C[NH2+][C@@H]2C[C@@H]2C)cs1)c1ccc(C)cc1 ZINC000113335656 335324922 /nfs/dbraw/zinc/32/49/22/335324922.db2.gz YAPUZOPMEGDSES-BLLLJJGKSA-N 1 1 315.442 3.634 10 0 DHAEMO CC(=O)N(c1nc(C[NH2+][C@H]2C[C@@H]2C)cs1)c1ccc(C)cc1 ZINC000113335658 335324973 /nfs/dbraw/zinc/32/49/73/335324973.db2.gz YAPUZOPMEGDSES-LRDDRELGSA-N 1 1 315.442 3.634 10 0 DHAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCSc2ccccc21 ZINC000167770096 336261621 /nfs/dbraw/zinc/26/16/21/336261621.db2.gz JGEBGLKNPORBNB-KGLIPLIRSA-N 1 1 314.458 3.502 10 0 DHAEMO Fc1ccc(CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)cc1F ZINC000190283608 336262220 /nfs/dbraw/zinc/26/22/20/336262220.db2.gz QFZGIQYEMGCLFW-UHFFFAOYSA-N 1 1 313.351 3.687 10 0 DHAEMO Fc1ccc(-c2csc(N3CC[N@H+]4CCCC[C@@H]4C3)n2)cc1 ZINC000301603308 336317789 /nfs/dbraw/zinc/31/77/89/336317789.db2.gz KXWPOTQRSVOSKD-OAHLLOKOSA-N 1 1 317.433 3.624 10 0 DHAEMO CC[N@H+]1CCc2c(cccc2Nc2ncnc3sccc32)C1 ZINC000301710675 336324933 /nfs/dbraw/zinc/32/49/33/336324933.db2.gz UVGHWPQYNNEAIV-UHFFFAOYSA-N 1 1 310.426 3.813 10 0 DHAEMO CCCOc1cccc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000123064932 337035050 /nfs/dbraw/zinc/03/50/50/337035050.db2.gz OUTGXFLZZSEFLU-GOSISDBHSA-N 1 1 313.445 3.817 10 0 DHAEMO c1ncn([C@H]2CCC[N@@H+](C3c4ccccc4-c4ccccc43)C2)n1 ZINC000171704157 337088654 /nfs/dbraw/zinc/08/86/54/337088654.db2.gz FNQNVGFMCXPMTI-HNNXBMFYSA-N 1 1 316.408 3.685 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2Cl)o1 ZINC000172593867 337130174 /nfs/dbraw/zinc/13/01/74/337130174.db2.gz WBKABYIAQNPMNM-OLZOCXBDSA-N 1 1 320.820 3.597 10 0 DHAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1csc2ccccc12 ZINC000175015152 337144054 /nfs/dbraw/zinc/14/40/54/337144054.db2.gz NHHPAJRAHZRVFV-ZIAGYGMSSA-N 1 1 314.454 3.600 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](C)CCCC(C)C ZINC000175510641 337147751 /nfs/dbraw/zinc/14/77/51/337147751.db2.gz OXKQJKWEKRDSTN-NVXWUHKLSA-N 1 1 320.481 3.580 10 0 DHAEMO COc1cccc([C@@H](C)[N@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000175620217 337148505 /nfs/dbraw/zinc/14/85/05/337148505.db2.gz TWKHLMWYTBQMAT-HZPDHXFCSA-N 1 1 311.429 3.585 10 0 DHAEMO CC[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccc(C)cc1 ZINC000176154783 337150605 /nfs/dbraw/zinc/15/06/05/337150605.db2.gz KGHAGWJCTMFKTJ-ZWKOTPCHSA-N 1 1 317.477 3.572 10 0 DHAEMO CCCC[C@@H](CCC)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000176420639 337151270 /nfs/dbraw/zinc/15/12/70/337151270.db2.gz RRSGYEPCPVGUNY-SJORKVTESA-N 1 1 320.481 3.724 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)CCC(C)(C)C ZINC000176264756 337151667 /nfs/dbraw/zinc/15/16/67/337151667.db2.gz HHZIYVZFIDQFQF-HOCLYGCPSA-N 1 1 320.481 3.580 10 0 DHAEMO c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000176683965 337152671 /nfs/dbraw/zinc/15/26/71/337152671.db2.gz KUBXCNBNMLVLIZ-RBUKOAKNSA-N 1 1 318.424 3.687 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc2cc(F)ccc2s1 ZINC000176998300 337154084 /nfs/dbraw/zinc/15/40/84/337154084.db2.gz YDIZYSZPJMLSMN-AWEZNQCLSA-N 1 1 320.433 3.597 10 0 DHAEMO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc2ccccc2n1 ZINC000178409058 337164513 /nfs/dbraw/zinc/16/45/13/337164513.db2.gz JUDXRVILINPKAU-HSZRJFAPSA-N 1 1 324.449 3.604 10 0 DHAEMO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccc2ccccc2n1 ZINC000178409058 337164514 /nfs/dbraw/zinc/16/45/14/337164514.db2.gz JUDXRVILINPKAU-HSZRJFAPSA-N 1 1 324.449 3.604 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000178886140 337167325 /nfs/dbraw/zinc/16/73/25/337167325.db2.gz MQVQCRVLQVXDPT-HZPDHXFCSA-N 1 1 317.477 3.825 10 0 DHAEMO Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000180127194 337171462 /nfs/dbraw/zinc/17/14/62/337171462.db2.gz QGMLYPGCHUQHIA-INIZCTEOSA-N 1 1 309.413 3.911 10 0 DHAEMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cnn(C(C)C)c2)C12CCCC2 ZINC000179863458 337172359 /nfs/dbraw/zinc/17/23/59/337172359.db2.gz LOBWWFYASRHYEH-DLBZAZTESA-N 1 1 305.466 3.634 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000180087799 337173664 /nfs/dbraw/zinc/17/36/64/337173664.db2.gz PYZKMMYZXKNMBJ-YQQAZPJKSA-N 1 1 317.477 3.681 10 0 DHAEMO CCc1csc([C@H]2CCC[N@@H+](C[C@@H]3CCC(C)(C)O3)C2)n1 ZINC000184668285 337199744 /nfs/dbraw/zinc/19/97/44/337199744.db2.gz TYKABSDWYFIXGU-ZFWWWQNUSA-N 1 1 308.491 3.843 10 0 DHAEMO Cn1cc([C@@H]2CCC[N@H+]2CC2CCC(C(F)(F)F)CC2)cn1 ZINC000185509465 337248695 /nfs/dbraw/zinc/24/86/95/337248695.db2.gz QQIVISXEQKRSRA-ZALBZXLWSA-N 1 1 315.383 3.926 10 0 DHAEMO C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188079152 337270510 /nfs/dbraw/zinc/27/05/10/337270510.db2.gz XWACHKPTTFIQMY-KFNAQCHYSA-N 1 1 323.408 3.795 10 0 DHAEMO Cc1cccc(C[N@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)c1C ZINC000190287575 337286301 /nfs/dbraw/zinc/28/63/01/337286301.db2.gz MKZDENIHOZLCKX-MSOLQXFVSA-N 1 1 301.455 3.573 10 0 DHAEMO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](Cc1ccccc1)CC3 ZINC000584591748 337373496 /nfs/dbraw/zinc/37/34/96/337373496.db2.gz HEGFICKDSKCYGS-UHFFFAOYSA-N 1 1 306.409 3.777 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CC1(C)CCCCC1 ZINC000126739626 337417688 /nfs/dbraw/zinc/41/76/88/337417688.db2.gz QHGLNWAGZYPFJE-INIZCTEOSA-N 1 1 303.450 3.543 10 0 DHAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000245503988 337473104 /nfs/dbraw/zinc/47/31/04/337473104.db2.gz JIDWUDBFGUALDB-KBMXLJTQSA-N 1 1 310.445 3.822 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000248580411 337565841 /nfs/dbraw/zinc/56/58/41/337565841.db2.gz PYZKMMYZXKNMBJ-HZMVEIRTSA-N 1 1 317.477 3.681 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000249589314 337570781 /nfs/dbraw/zinc/57/07/81/337570781.db2.gz OVNNVEOIMRQPAB-DZQJYWQESA-N 1 1 306.450 3.568 10 0 DHAEMO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000193639098 340580745 /nfs/dbraw/zinc/58/07/45/340580745.db2.gz AHFGTAPTMKBBRP-AWEZNQCLSA-N 1 1 300.402 3.748 10 0 DHAEMO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1)C1CCCCC1 ZINC000194021975 340588142 /nfs/dbraw/zinc/58/81/42/340588142.db2.gz GNHPZSUNCAUPRT-GJZGRUSLSA-N 1 1 306.450 3.808 10 0 DHAEMO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2Cl)C1 ZINC000245200609 341285397 /nfs/dbraw/zinc/28/53/97/341285397.db2.gz LIMMLJHMCFCFHA-ZIAGYGMSSA-N 1 1 308.853 3.782 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000245471604 341296057 /nfs/dbraw/zinc/29/60/57/341296057.db2.gz OCTKNSWDEBSWCQ-WBVHZDCISA-N 1 1 313.445 3.819 10 0 DHAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC[C@H](C)c1ccccc1 ZINC000246257068 341338566 /nfs/dbraw/zinc/33/85/66/341338566.db2.gz KHFUVHZSUZFIKQ-QXAKKESOSA-N 1 1 314.473 3.656 10 0 DHAEMO Cc1nc(C(C)C)sc1[C@H](C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246588883 341354043 /nfs/dbraw/zinc/35/40/43/341354043.db2.gz ZEKQZYBPLRHQTA-VNHYZAJKSA-N 1 1 309.523 3.954 10 0 DHAEMO Cc1nc(C(C)C)sc1[C@H](C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246588883 341354044 /nfs/dbraw/zinc/35/40/44/341354044.db2.gz ZEKQZYBPLRHQTA-VNHYZAJKSA-N 1 1 309.523 3.954 10 0 DHAEMO C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)Oc3ccccc32)C[N@@H+]1C1CC1 ZINC000246841465 341357621 /nfs/dbraw/zinc/35/76/21/341357621.db2.gz BONASZHZPWLBLR-CPUCHLNUSA-N 1 1 300.446 3.504 10 0 DHAEMO C[C@@H]1C[C@@H](N[C@H]2CC(C)(C)Oc3ccccc32)C[N@H+]1C1CC1 ZINC000246841465 341357622 /nfs/dbraw/zinc/35/76/22/341357622.db2.gz BONASZHZPWLBLR-CPUCHLNUSA-N 1 1 300.446 3.504 10 0 DHAEMO CC(C)[C@H](CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)c1ccccc1 ZINC000247141711 341361477 /nfs/dbraw/zinc/36/14/77/341361477.db2.gz JSHZIXWBXPWHTA-QRQLOZEOSA-N 1 1 314.473 3.511 10 0 DHAEMO CC(C)c1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000247325640 341363440 /nfs/dbraw/zinc/36/34/40/341363440.db2.gz LVUOZEYQSWGDBT-PBHICJAKSA-N 1 1 301.434 3.510 10 0 DHAEMO Cc1c2cccc(C)c2oc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247519607 341366556 /nfs/dbraw/zinc/36/65/56/341366556.db2.gz YZEOIYMKMIXTGF-CJNGLKHVSA-N 1 1 314.429 3.508 10 0 DHAEMO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248657192 341382996 /nfs/dbraw/zinc/38/29/96/341382996.db2.gz SEUXKGJRHNJBKK-QUCCMNQESA-N 1 1 323.484 3.905 10 0 DHAEMO CC[C@@H]1C[N@@H+](CC[C@H](C)CCC=C(C)C)CCN1C[C@@H](C)O ZINC000248665012 341383602 /nfs/dbraw/zinc/38/36/02/341383602.db2.gz KZYWFUGPMTUKRJ-GUDVDZBRSA-N 1 1 310.526 3.536 10 0 DHAEMO CC[C@@H]1CN(CC[C@H](C)CCC=C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000248665012 341383603 /nfs/dbraw/zinc/38/36/03/341383603.db2.gz KZYWFUGPMTUKRJ-GUDVDZBRSA-N 1 1 310.526 3.536 10 0 DHAEMO CC[C@@H]1CN(CC[C@H](C)CCC=C(C)C)CC[N@H+]1C[C@@H](C)O ZINC000248665012 341383604 /nfs/dbraw/zinc/38/36/04/341383604.db2.gz KZYWFUGPMTUKRJ-GUDVDZBRSA-N 1 1 310.526 3.536 10 0 DHAEMO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](CC[C@H](C)CCC=C(C)C)C1 ZINC000248661909 341383706 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CCn1c(C)nnc1C[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000180788608 523156011 /nfs/dbraw/zinc/15/60/11/523156011.db2.gz QREJMNPPCFNOHQ-QGZVFWFLSA-N 1 1 300.450 3.792 10 0 DHAEMO CSc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188164155 525994250 /nfs/dbraw/zinc/99/42/50/525994250.db2.gz WJSHCDYQUFDGKR-RDJZCZTQSA-N 1 1 319.495 3.678 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)c3nc4ccccc4o3)C2)c1 ZINC000181102036 526268742 /nfs/dbraw/zinc/26/87/42/526268742.db2.gz OZWVBSRIFRBAGV-GJZGRUSLSA-N 1 1 310.401 3.731 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@@H+](CCCCCn3cccn3)C2)n1 ZINC000104680965 526419440 /nfs/dbraw/zinc/41/94/40/526419440.db2.gz HQVQKQOBSKVXRM-MRXNPFEDSA-N 1 1 318.490 3.698 10 0 DHAEMO Cc1oc2nc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)nc(N)c2c1C ZINC000246858000 526791972 /nfs/dbraw/zinc/79/19/72/526791972.db2.gz UEXOUPCRPHCBKJ-UONOGXRCSA-N 1 1 314.433 3.576 10 0 DHAEMO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593056 563495838 /nfs/dbraw/zinc/49/58/38/563495838.db2.gz IBDBUXNMQVARBX-ZOBUZTSGSA-N 1 1 318.461 3.953 10 0 DHAEMO C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000169616745 563647057 /nfs/dbraw/zinc/64/70/57/563647057.db2.gz XMRUFXRESHLTCT-HLLBOEOZSA-N 1 1 318.461 3.810 10 0 DHAEMO CCCCN1C(=O)CC[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC000015069369 563783492 /nfs/dbraw/zinc/78/34/92/563783492.db2.gz CUYZFRFTYIYBGT-MSOLQXFVSA-N 1 1 306.494 3.680 10 0 DHAEMO CCCCN1C(=O)CC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CC[C@@H]21 ZINC000012572271 563801612 /nfs/dbraw/zinc/80/16/12/563801612.db2.gz CXIUDMUWCZPSDS-MOPGFXCFSA-N 1 1 314.473 3.608 10 0 DHAEMO CC[C@H](O)C[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1F ZINC000036095354 563892707 /nfs/dbraw/zinc/89/27/07/563892707.db2.gz BISSIJAJHCIKLR-KRWDZBQOSA-N 1 1 317.404 3.607 10 0 DHAEMO Brc1cscc1[C@@H]1[NH2+]CCc2sccc21 ZINC000397143103 568414989 /nfs/dbraw/zinc/41/49/89/568414989.db2.gz DRUCYTNAWSKBQI-LLVKDONJSA-N 1 1 300.246 3.807 10 0 DHAEMO c1[nH]c([C@@H]2CCC[N@H+](CC3=CCCOC3)C2)nc1-c1ccccc1 ZINC000093387292 1032536612 /nfs/dbraw/zinc/53/66/12/1032536612.db2.gz BIFKTBSVOHVYSG-GOSISDBHSA-N 1 1 323.440 3.603 10 0 DHAEMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)C3=CCCCO3)c2C1 ZINC000073338155 1030591810 /nfs/dbraw/zinc/59/18/10/1030591810.db2.gz XXEGRHWQOMMCDK-UHFFFAOYSA-N 1 1 314.429 3.681 10 0 DHAEMO CC(C)C[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000074995419 1030629069 /nfs/dbraw/zinc/62/90/69/1030629069.db2.gz PGXDJJONBVBYFG-KBPBESRZSA-N 1 1 300.406 3.561 10 0 DHAEMO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cnn(C(C)C)c1 ZINC000076892213 185050636 /nfs/dbraw/zinc/05/06/36/185050636.db2.gz QOYYGOABNMYUTN-AWEZNQCLSA-N 1 1 311.433 3.684 10 0 DHAEMO CCCCc1nc(Cl)c(C[NH2+]Cc2ccc(OC)cc2)[nH]1 ZINC000088398667 185248323 /nfs/dbraw/zinc/24/83/23/185248323.db2.gz KLFZUZTWYSHORC-UHFFFAOYSA-N 1 1 307.825 3.704 10 0 DHAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000088559869 185257991 /nfs/dbraw/zinc/25/79/91/185257991.db2.gz VBZJKJSACLHKHI-RISCZKNCSA-N 1 1 304.825 3.680 10 0 DHAEMO Cc1nc(N2CCCC2)c2ccc(Nc3cccnc3)cc2[nH+]1 ZINC000090411285 185294644 /nfs/dbraw/zinc/29/46/44/185294644.db2.gz DNGJUTKVNXGFGY-UHFFFAOYSA-N 1 1 305.385 3.677 10 0 DHAEMO C[C@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)c1cnccn1 ZINC000090461107 185297757 /nfs/dbraw/zinc/29/77/57/185297757.db2.gz NEEVPXUVFILXTJ-GOEBONIOSA-N 1 1 309.413 3.964 10 0 DHAEMO CCc1csc([C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)n1 ZINC000092789218 185341312 /nfs/dbraw/zinc/34/13/12/185341312.db2.gz SABMVKRWWDQCMI-AWEZNQCLSA-N 1 1 302.443 3.791 10 0 DHAEMO CC[C@@H]1C[C@H]2C[C@@H]3c4[nH]c5ccc(OC)cc5c4CC[N@H+](C2)[C@H]13 ZINC000004556587 181124408 /nfs/dbraw/zinc/12/44/08/181124408.db2.gz HSIBGVUMFOSJPD-NPPSGXECSA-N 1 1 310.441 3.937 10 0 DHAEMO CCC[C@@H]1[C@@H](CC(=O)NC(C)C)CC[N@H+]1Cc1ccccc1 ZINC000005469747 181247477 /nfs/dbraw/zinc/24/74/77/181247477.db2.gz FDZLZLAFLPFOSA-QZTJIDSGSA-N 1 1 302.462 3.592 10 0 DHAEMO COC[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(F)c(F)c1 ZINC000091413258 193053493 /nfs/dbraw/zinc/05/34/93/193053493.db2.gz VDUAORPJMXKXDF-DLBZAZTESA-N 1 1 319.351 3.766 10 0 DHAEMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000261508278 203073340 /nfs/dbraw/zinc/07/33/40/203073340.db2.gz QZFCAOGECMVMDZ-INIZCTEOSA-N 1 1 304.434 3.518 10 0 DHAEMO CCC[N@H+](Cc1c[nH]nc1-c1ccc(OC)cc1F)CC1CC1 ZINC000019739894 182141249 /nfs/dbraw/zinc/14/12/49/182141249.db2.gz RIOOZXRHDIEMCL-UHFFFAOYSA-N 1 1 317.408 3.846 10 0 DHAEMO CC(C)[C@H](CN[C@H](C)c1cccc(Br)c1)[NH+](C)C ZINC000020145588 182192487 /nfs/dbraw/zinc/19/24/87/182192487.db2.gz HXXPBOJALIHZOZ-DOMZBBRYSA-N 1 1 313.283 3.686 10 0 DHAEMO CN(C)CCC[N@@H+](Cc1cccs1)C[C@@H]1CCOC(C)(C)C1 ZINC000021151195 182267613 /nfs/dbraw/zinc/26/76/13/182267613.db2.gz FJNNNSTWMRFJTC-MRXNPFEDSA-N 1 1 324.534 3.707 10 0 DHAEMO CN(C)CCC[N@H+](Cc1cccs1)C[C@@H]1CCOC(C)(C)C1 ZINC000021151195 182267615 /nfs/dbraw/zinc/26/76/15/182267615.db2.gz FJNNNSTWMRFJTC-MRXNPFEDSA-N 1 1 324.534 3.707 10 0 DHAEMO CC(C)C[N@@H+](C(C)C)[C@H](CN)c1ccc(Br)cc1 ZINC000042579203 183287113 /nfs/dbraw/zinc/28/71/13/183287113.db2.gz FEIXWNXOQJMKSD-OAHLLOKOSA-N 1 1 313.283 3.815 10 0 DHAEMO O=C(Nc1ccc2ccccc2c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000104970980 194060582 /nfs/dbraw/zinc/06/05/82/194060582.db2.gz UFOXPSBFPZAAIP-GOSISDBHSA-N 1 1 309.413 3.542 10 0 DHAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000105897151 194162354 /nfs/dbraw/zinc/16/23/54/194162354.db2.gz VCSXLZMXCJWGPR-SFHVURJKSA-N 1 1 320.440 3.831 10 0 DHAEMO CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000106217796 194190502 /nfs/dbraw/zinc/19/05/02/194190502.db2.gz MAZYLVOQYDBGGN-HOTGVXAUSA-N 1 1 304.825 3.720 10 0 DHAEMO COc1cccc(-c2cc3n(n2)CCC[N@H+](Cc2ccco2)C3)c1 ZINC000065270408 184320037 /nfs/dbraw/zinc/32/00/37/184320037.db2.gz SXRMBNWILWLXDY-UHFFFAOYSA-N 1 1 323.396 3.558 10 0 DHAEMO COc1cccc(-c2cc3n(n2)CCC[N@@H+](Cc2ccco2)C3)c1 ZINC000065270408 184320038 /nfs/dbraw/zinc/32/00/38/184320038.db2.gz SXRMBNWILWLXDY-UHFFFAOYSA-N 1 1 323.396 3.558 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2ccc(C)s2)C1 ZINC000175860357 332911046 /nfs/dbraw/zinc/91/10/46/332911046.db2.gz USOKTWLXKCGFHD-ZDUSSCGKSA-N 1 1 318.446 3.684 10 0 DHAEMO [NH3+]C[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC000261804506 332392085 /nfs/dbraw/zinc/39/20/85/332392085.db2.gz RCAHURJHQJTZHV-AEFFLSMTSA-N 1 1 300.833 3.514 10 0 DHAEMO COC(=O)c1sccc1C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000181348539 333030194 /nfs/dbraw/zinc/03/01/94/333030194.db2.gz GTTHFSKMZCTLTK-NSHDSACASA-N 1 1 307.390 3.833 10 0 DHAEMO Fc1ccc(Cl)c(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000189028660 333061149 /nfs/dbraw/zinc/06/11/49/333061149.db2.gz PETPVGYLXNEZKC-ZDUSSCGKSA-N 1 1 319.811 3.808 10 0 DHAEMO OC[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H]1c1ccsc1 ZINC000188141837 333242208 /nfs/dbraw/zinc/24/22/08/333242208.db2.gz ORZUNVONVKVHAK-ROUUACIJSA-N 1 1 324.449 3.504 10 0 DHAEMO Cc1ccc(C)c(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190490510 333271508 /nfs/dbraw/zinc/27/15/08/333271508.db2.gz VBYSBBNSWCSRRF-HXUWFJFHSA-N 1 1 323.484 3.652 10 0 DHAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000048769627 334296029 /nfs/dbraw/zinc/29/60/29/334296029.db2.gz AUDJRNKNXPMJNK-JTQLQIEISA-N 1 1 316.232 3.599 10 0 DHAEMO Fc1cc(Br)ccc1C[NH2+][C@@H]1COc2ccccc21 ZINC000070070195 334360894 /nfs/dbraw/zinc/36/08/94/334360894.db2.gz YQPQPLYCEKNGFI-CQSZACIVSA-N 1 1 322.177 3.812 10 0 DHAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000113232274 335261359 /nfs/dbraw/zinc/26/13/59/335261359.db2.gz AZMUIFXWDIGMPN-OXJNMPFZSA-N 1 1 320.436 3.662 10 0 DHAEMO Cc1nc(Cl)cc(N[C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000301197454 336294450 /nfs/dbraw/zinc/29/44/50/336294450.db2.gz KYVKBUMBTKOQSN-ZDUSSCGKSA-N 1 1 308.857 3.647 10 0 DHAEMO Cc1cccc2c(N3CCC[C@H]([NH+]4CCCC4)CC3)ccnc12 ZINC000301659409 336321303 /nfs/dbraw/zinc/32/13/03/336321303.db2.gz IVWZQSXVZUTDFN-KRWDZBQOSA-N 1 1 309.457 3.998 10 0 DHAEMO C[C@@H](Nc1[nH]c2ccccc2[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000301850599 336334032 /nfs/dbraw/zinc/33/40/32/336334032.db2.gz AZNMNRWFEPJCLC-CQSZACIVSA-N 1 1 317.396 3.981 10 0 DHAEMO Fc1cccc(N2CCC(Nc3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000301899252 336337060 /nfs/dbraw/zinc/33/70/60/336337060.db2.gz XRJODKWMIOXEAW-UHFFFAOYSA-N 1 1 310.376 3.783 10 0 DHAEMO CC(=O)c1c(F)cccc1N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000302004608 336342630 /nfs/dbraw/zinc/34/26/30/336342630.db2.gz KJOZLNNXUXPCDK-AWEZNQCLSA-N 1 1 314.404 3.961 10 0 DHAEMO CCc1cc(N[C@@H](C)c2cnn(Cc3ccccc3)c2)nc(C)[nH+]1 ZINC000302066397 336346534 /nfs/dbraw/zinc/34/65/34/336346534.db2.gz CXAXGVPZVYVSTQ-AWEZNQCLSA-N 1 1 321.428 3.765 10 0 DHAEMO COCc1ccc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000122758505 337023311 /nfs/dbraw/zinc/02/33/11/337023311.db2.gz CNZGFIPRGKWMTP-SFHVURJKSA-N 1 1 313.445 3.520 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cnc(-c2cccs2)s1 ZINC000123420858 337048066 /nfs/dbraw/zinc/04/80/66/337048066.db2.gz HKNFYNNTGGKCMB-CYBMUJFWSA-N 1 1 321.515 3.788 10 0 DHAEMO Cc1csc([C@H]2CCC[N@H+](Cc3c(C)nn(C)c3Cl)C2)n1 ZINC000170748651 337083045 /nfs/dbraw/zinc/08/30/45/337083045.db2.gz QWGZRLPOOGLXMA-LBPRGKRZSA-N 1 1 324.881 3.526 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@H+](Cc3cn4ccsc4n3)C2)n1 ZINC000171081268 337086660 /nfs/dbraw/zinc/08/66/60/337086660.db2.gz RKECWVSSJSYUGJ-GFCCVEGCSA-N 1 1 318.471 3.540 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3cn4ccsc4n3)C2)n1 ZINC000171081268 337086661 /nfs/dbraw/zinc/08/66/61/337086661.db2.gz RKECWVSSJSYUGJ-GFCCVEGCSA-N 1 1 318.471 3.540 10 0 DHAEMO Fc1cc(C[N@@H+]2CCC[C@H]2c2ccco2)c2c(c1)COCO2 ZINC000172027498 337091047 /nfs/dbraw/zinc/09/10/47/337091047.db2.gz ZACNGUSEOXGJMM-HNNXBMFYSA-N 1 1 303.333 3.622 10 0 DHAEMO Fc1cc(C[N@H+]2CCC[C@H]2c2ccco2)c2c(c1)COCO2 ZINC000172027498 337091048 /nfs/dbraw/zinc/09/10/48/337091048.db2.gz ZACNGUSEOXGJMM-HNNXBMFYSA-N 1 1 303.333 3.622 10 0 DHAEMO O=C(CC[N@H+]1CCC[C@H]1c1ccco1)Nc1ccccc1F ZINC000172026496 337091092 /nfs/dbraw/zinc/09/10/92/337091092.db2.gz DFBAXLBQBBJXPC-HNNXBMFYSA-N 1 1 302.349 3.584 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CCCC2CCCC2)C1 ZINC000173096784 337132145 /nfs/dbraw/zinc/13/21/45/337132145.db2.gz YRRUTUSLEJEDIX-KRWDZBQOSA-N 1 1 317.477 3.970 10 0 DHAEMO C[C@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)CCS1 ZINC000173663596 337137254 /nfs/dbraw/zinc/13/72/54/337137254.db2.gz YLINNYKJAILZDW-NSHDSACASA-N 1 1 305.365 3.565 10 0 DHAEMO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1nnc2n1CCCC2 ZINC000178076280 337160343 /nfs/dbraw/zinc/16/03/43/337160343.db2.gz DUDHZMQTNVHVNS-XJKSGUPXSA-N 1 1 310.445 3.688 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180887826 337178382 /nfs/dbraw/zinc/17/83/82/337178382.db2.gz BIKINRAGWSGSML-AWEZNQCLSA-N 1 1 321.428 3.519 10 0 DHAEMO CCC[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000183091599 337191403 /nfs/dbraw/zinc/19/14/03/337191403.db2.gz ZZZDLUJVXLDUJT-NVXWUHKLSA-N 1 1 314.429 3.896 10 0 DHAEMO Cn1cc([C@H]2CCC[N@H+]2CC2CCC(C(F)(F)F)CC2)cn1 ZINC000185509482 337248652 /nfs/dbraw/zinc/24/86/52/337248652.db2.gz QQIVISXEQKRSRA-PESDSKBTSA-N 1 1 315.383 3.926 10 0 DHAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000186191863 337254361 /nfs/dbraw/zinc/25/43/61/337254361.db2.gz JTJNOUOUPAZMPT-SJORKVTESA-N 1 1 324.472 3.959 10 0 DHAEMO CCCCN1OC(C[NH3+])=N[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000584614153 337372657 /nfs/dbraw/zinc/37/26/57/337372657.db2.gz VSCMXXFINMZQBT-IBGZPJMESA-N 1 1 309.413 3.757 10 0 DHAEMO CC(C)(C)OC(=O)N[C@H](C[NH+]1CCC1)c1ccc(Cl)cc1 ZINC000584644079 337380281 /nfs/dbraw/zinc/38/02/81/337380281.db2.gz QWGFNDNDDXIBCD-CQSZACIVSA-N 1 1 310.825 3.612 10 0 DHAEMO COc1cc2c(cc1OC)[C@@H]1C[C@@H](c3ccccc3)C[N@H+]1CC2 ZINC000584649267 337380574 /nfs/dbraw/zinc/38/05/74/337380574.db2.gz GGMQYTBZZVMOEE-AEFFLSMTSA-N 1 1 309.409 3.791 10 0 DHAEMO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccco2)c(C)c1 ZINC000116292874 337392516 /nfs/dbraw/zinc/39/25/16/337392516.db2.gz GRTJLTSZTDIEMS-INIZCTEOSA-N 1 1 312.413 3.980 10 0 DHAEMO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccco2)c(C)c1 ZINC000116292874 337392517 /nfs/dbraw/zinc/39/25/17/337392517.db2.gz GRTJLTSZTDIEMS-INIZCTEOSA-N 1 1 312.413 3.980 10 0 DHAEMO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000116292870 337392619 /nfs/dbraw/zinc/39/26/19/337392619.db2.gz GRTJLTSZTDIEMS-MRXNPFEDSA-N 1 1 312.413 3.980 10 0 DHAEMO Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000116292870 337392620 /nfs/dbraw/zinc/39/26/20/337392620.db2.gz GRTJLTSZTDIEMS-MRXNPFEDSA-N 1 1 312.413 3.980 10 0 DHAEMO Brc1ccccc1C[NH2+][C@H]1COc2ccccc21 ZINC000070070204 337546273 /nfs/dbraw/zinc/54/62/73/337546273.db2.gz RMDQWIPZSSQCMG-AWEZNQCLSA-N 1 1 304.187 3.672 10 0 DHAEMO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1c(Cl)ccc(F)c1Cl ZINC000151229491 338162487 /nfs/dbraw/zinc/16/24/87/338162487.db2.gz NRJQSRMZDDUYGQ-YLWLKBPMSA-N 1 1 320.113 3.706 10 0 DHAEMO C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000173387849 340363922 /nfs/dbraw/zinc/36/39/22/340363922.db2.gz QVWWSIXJBVJITD-HEHGZKQESA-N 1 1 323.868 3.525 10 0 DHAEMO CCc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000194021018 340588110 /nfs/dbraw/zinc/58/81/10/340588110.db2.gz VNNZXXLBQIFEDW-ZIAGYGMSSA-N 1 1 300.402 3.828 10 0 DHAEMO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)s1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245201865 341285470 /nfs/dbraw/zinc/28/54/70/341285470.db2.gz NRTHCDHYJIRTCE-WHOHXGKFSA-N 1 1 314.882 3.840 10 0 DHAEMO CC(C)n1nnnc1C[N@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000245475762 341296035 /nfs/dbraw/zinc/29/60/35/341296035.db2.gz SFLRCHAZJRIZRD-QWHCGFSZSA-N 1 1 321.856 3.531 10 0 DHAEMO CC(C)n1nnnc1C[N@@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000245475762 341296036 /nfs/dbraw/zinc/29/60/36/341296036.db2.gz SFLRCHAZJRIZRD-QWHCGFSZSA-N 1 1 321.856 3.531 10 0 DHAEMO CCC[C@@H](C[N@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000245913240 341318094 /nfs/dbraw/zinc/31/80/94/341318094.db2.gz VYEOEYNDWZBLLF-MJGOQNOKSA-N 1 1 312.461 3.574 10 0 DHAEMO CC(C)[C@H](CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)c1ccccc1 ZINC000247141741 341361407 /nfs/dbraw/zinc/36/14/07/341361407.db2.gz JSHZIXWBXPWHTA-WDSOQIARSA-N 1 1 314.473 3.511 10 0 DHAEMO CCCCOC[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccc(CC)o1 ZINC000248662462 341383658 /nfs/dbraw/zinc/38/36/58/341383658.db2.gz YHSLVVJZNIASKA-RDJZCZTQSA-N 1 1 309.450 3.547 10 0 DHAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC1CCC(C(F)(F)F)CC1 ZINC000248702866 341384671 /nfs/dbraw/zinc/38/46/71/341384671.db2.gz GQJJUIRHZAANBY-URGYJCLVSA-N 1 1 304.400 3.524 10 0 DHAEMO CC(C)c1nnc(C[NH2+][C@H](CC2CCC2)c2ccccc2)n1C ZINC000181358429 519887873 /nfs/dbraw/zinc/88/78/73/519887873.db2.gz LPBMTVYNHXQUSA-QGZVFWFLSA-N 1 1 312.461 3.960 10 0 DHAEMO CC(C)n1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)cn1 ZINC000180241162 519950296 /nfs/dbraw/zinc/95/02/96/519950296.db2.gz IXARQAWALIPTAB-MOPGFXCFSA-N 1 1 313.445 3.552 10 0 DHAEMO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C)nc32)cc1 ZINC000181256733 520417785 /nfs/dbraw/zinc/41/77/85/520417785.db2.gz LWDYACHNHIUQHS-CXAGYDPISA-N 1 1 314.433 3.561 10 0 DHAEMO CCCc1nc(C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)cs1 ZINC000180831351 521517282 /nfs/dbraw/zinc/51/72/82/521517282.db2.gz OKPIDUSOKSUKNB-GFCCVEGCSA-N 1 1 320.458 3.964 10 0 DHAEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3cncc(C)c3)C2)n1 ZINC000189830959 522113802 /nfs/dbraw/zinc/11/38/02/522113802.db2.gz NUOUWABXQDTIPK-OAHLLOKOSA-N 1 1 301.459 3.789 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182568784 523157647 /nfs/dbraw/zinc/15/76/47/523157647.db2.gz DXJYKVHPSVXKIG-KRWDZBQOSA-N 1 1 318.852 3.891 10 0 DHAEMO CCn1cc([C@@H]2C[N@@H+](Cc3cccc4ccccc43)CCO2)cn1 ZINC000191699602 523467672 /nfs/dbraw/zinc/46/76/72/523467672.db2.gz PEJZAEWWCLYYLJ-FQEVSTJZSA-N 1 1 321.424 3.630 10 0 DHAEMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000156970230 524028062 /nfs/dbraw/zinc/02/80/62/524028062.db2.gz PPTYWBWYRZVSLA-OAHLLOKOSA-N 1 1 302.443 3.840 10 0 DHAEMO Cc1cccc(NCc2nc(-c3cccc(Cl)c3)no2)[nH+]1 ZINC000157587564 524687568 /nfs/dbraw/zinc/68/75/68/524687568.db2.gz XBZWGGYPOQBXDA-UHFFFAOYSA-N 1 1 300.749 3.706 10 0 DHAEMO C[C@@H](NCc1ccc2ccccc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102330 525530705 /nfs/dbraw/zinc/53/07/05/525530705.db2.gz AZRIEPPDEZLMEY-SJLPKXTDSA-N 1 1 323.484 3.977 10 0 DHAEMO COc1ccc2oc(C[N@H+]3CCC[C@@H]3c3cnn(C)c3)cc2c1 ZINC000131972417 525683591 /nfs/dbraw/zinc/68/35/91/525683591.db2.gz HUMQZQCKIALVQL-QGZVFWFLSA-N 1 1 311.385 3.512 10 0 DHAEMO Cc1csc([C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)CCO2)n1 ZINC000157776767 526422915 /nfs/dbraw/zinc/42/29/15/526422915.db2.gz FPPYJUVKKJFAIO-INIZCTEOSA-N 1 1 302.443 3.642 10 0 DHAEMO Cc1csc([C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)CCO2)n1 ZINC000157776767 526422923 /nfs/dbraw/zinc/42/29/23/526422923.db2.gz FPPYJUVKKJFAIO-INIZCTEOSA-N 1 1 302.443 3.642 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@@H+](CCCc3ccccc3C)C2)no1 ZINC000175904003 526919773 /nfs/dbraw/zinc/91/97/73/526919773.db2.gz LDHSXJSDRREYQO-KRWDZBQOSA-N 1 1 313.445 3.574 10 0 DHAEMO Cn1cc([C@@H]2CC[N@@H+](Cc3ccc(Oc4ccccc4)o3)C2)cn1 ZINC000180436150 527301151 /nfs/dbraw/zinc/30/11/51/527301151.db2.gz CHOSDGKLKPVOEW-OAHLLOKOSA-N 1 1 323.396 3.795 10 0 DHAEMO OC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1c1ccsc1 ZINC000188080357 527596290 /nfs/dbraw/zinc/59/62/90/527596290.db2.gz BQMGOTHNMUGTFG-HOCLYGCPSA-N 1 1 307.846 3.609 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000106209977 527663155 /nfs/dbraw/zinc/66/31/55/527663155.db2.gz LYQRZULXPIVVPQ-MRXNPFEDSA-N 1 1 305.372 3.652 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000106209977 527663157 /nfs/dbraw/zinc/66/31/57/527663157.db2.gz LYQRZULXPIVVPQ-MRXNPFEDSA-N 1 1 305.372 3.652 10 0 DHAEMO C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000068592780 563494524 /nfs/dbraw/zinc/49/45/24/563494524.db2.gz MIYNQZRSMKSJTR-UXLLHSPISA-N 1 1 318.461 3.810 10 0 DHAEMO Cc1cc(C[C@@H](C)[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)n[nH]1 ZINC000090532842 1032406481 /nfs/dbraw/zinc/40/64/81/1032406481.db2.gz YUMMKPRDRIXVAD-BDJLRTHQSA-N 1 1 317.408 3.680 10 0 DHAEMO Cn1cccc1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093387336 1032535730 /nfs/dbraw/zinc/53/57/30/1032535730.db2.gz ZOPKIBJQNKTGGF-QGZVFWFLSA-N 1 1 320.440 3.795 10 0 DHAEMO [NH3+][C@@H](c1nc2c(s1)CCC2)c1cc(F)cc(C(F)(F)F)c1 ZINC000096795223 185388772 /nfs/dbraw/zinc/38/87/72/185388772.db2.gz WJZHCKYDOYFPDD-GFCCVEGCSA-N 1 1 316.323 3.838 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000090223322 185287477 /nfs/dbraw/zinc/28/74/77/185287477.db2.gz UCDQYTZAQZHUAL-KBXCAEBGSA-N 1 1 312.461 3.971 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000090225331 185287657 /nfs/dbraw/zinc/28/76/57/185287657.db2.gz GLMQUNSDLKNYOW-ZWNOBZJWSA-N 1 1 319.478 3.661 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000090225336 185287699 /nfs/dbraw/zinc/28/76/99/185287699.db2.gz GLMQUNSDLKNYOW-GWCFXTLKSA-N 1 1 319.478 3.661 10 0 DHAEMO OCc1[nH+]c(Cc2ccc(Cl)cc2Cl)n2ccccc12 ZINC000090728474 185311544 /nfs/dbraw/zinc/31/15/44/185311544.db2.gz FDIPELOSWJCJAT-UHFFFAOYSA-N 1 1 307.180 3.724 10 0 DHAEMO c1cc(C[N@H+]2CCC[C@@H](Nc3cccc4cnccc43)C2)co1 ZINC000090755302 192927950 /nfs/dbraw/zinc/92/79/50/192927950.db2.gz PQYIJTVJVOBMLV-QGZVFWFLSA-N 1 1 307.397 3.904 10 0 DHAEMO CCOC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093419181 193248940 /nfs/dbraw/zinc/24/89/40/193248940.db2.gz PHCNGFXVNYJSRP-MRXNPFEDSA-N 1 1 313.445 3.634 10 0 DHAEMO CC(C)[C@H](CN[C@@H](C)c1cccc(Br)c1)[NH+](C)C ZINC000020145586 182192440 /nfs/dbraw/zinc/19/24/40/182192440.db2.gz HXXPBOJALIHZOZ-WFASDCNBSA-N 1 1 313.283 3.686 10 0 DHAEMO CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1Br)N(C)C ZINC000020145654 182192446 /nfs/dbraw/zinc/19/24/46/182192446.db2.gz GIOTWZRMDHGGQK-DOMZBBRYSA-N 1 1 313.283 3.686 10 0 DHAEMO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)c(OC)c(Cl)c1 ZINC000020967777 182256710 /nfs/dbraw/zinc/25/67/10/182256710.db2.gz GWGXUNQMBHFOIL-LBPRGKRZSA-N 1 1 317.260 3.576 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CNCc1cc(Cl)c(OC)c(Cl)c1 ZINC000020967777 182256714 /nfs/dbraw/zinc/25/67/14/182256714.db2.gz GWGXUNQMBHFOIL-LBPRGKRZSA-N 1 1 317.260 3.576 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(Cc1cccnc1)CC1CCCC1 ZINC000022931679 182342779 /nfs/dbraw/zinc/34/27/79/182342779.db2.gz FSETWHNDOFCWNN-IBGZPJMESA-N 1 1 301.478 3.558 10 0 DHAEMO CCN1CCC[C@H]1C[N@@H+](Cc1cccnc1)CC1CCCC1 ZINC000022931679 182342781 /nfs/dbraw/zinc/34/27/81/182342781.db2.gz FSETWHNDOFCWNN-IBGZPJMESA-N 1 1 301.478 3.558 10 0 DHAEMO CCN1CCC[C@H]1C[N@H+](Cc1cccnc1)CC1CCCC1 ZINC000022931679 182342784 /nfs/dbraw/zinc/34/27/84/182342784.db2.gz FSETWHNDOFCWNN-IBGZPJMESA-N 1 1 301.478 3.558 10 0 DHAEMO Cc1n[nH]cc1C[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000038011551 182962473 /nfs/dbraw/zinc/96/24/73/182962473.db2.gz DXTZLFVNUNUEQX-CYBMUJFWSA-N 1 1 312.200 3.638 10 0 DHAEMO C[C@@H]1CCC[N@@H+](CC[C@H](O)c2ccc(Br)cc2)C1 ZINC000041145226 183176090 /nfs/dbraw/zinc/17/60/90/183176090.db2.gz ZZYHSYLTVRWVEJ-DOMZBBRYSA-N 1 1 312.251 3.605 10 0 DHAEMO CCCO[C@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000042424668 183268487 /nfs/dbraw/zinc/26/84/87/183268487.db2.gz UYSZBURFSWJHEL-HNNXBMFYSA-N 1 1 312.251 3.840 10 0 DHAEMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000042424668 183268489 /nfs/dbraw/zinc/26/84/89/183268489.db2.gz UYSZBURFSWJHEL-HNNXBMFYSA-N 1 1 312.251 3.840 10 0 DHAEMO CC(C)C[N@H+]([C@@H](CN)c1cc(Br)cs1)C1CC1 ZINC000042555362 183283957 /nfs/dbraw/zinc/28/39/57/183283957.db2.gz CEGUHNXECLOEON-LBPRGKRZSA-N 1 1 317.296 3.631 10 0 DHAEMO CC(C)C[N@@H+]([C@@H](CN)c1cc(Br)cs1)C1CC1 ZINC000042555362 183283960 /nfs/dbraw/zinc/28/39/60/183283960.db2.gz CEGUHNXECLOEON-LBPRGKRZSA-N 1 1 317.296 3.631 10 0 DHAEMO CC(C)C[N@@H+]([C@@H](CN)c1cccc(Br)c1)C1CC1 ZINC000042555132 183284056 /nfs/dbraw/zinc/28/40/56/183284056.db2.gz CFQJLJWBGZTIBV-HNNXBMFYSA-N 1 1 311.267 3.569 10 0 DHAEMO CC(C)CN([C@@H](C[NH3+])c1cccc(Br)c1)C1CC1 ZINC000042555132 183284058 /nfs/dbraw/zinc/28/40/58/183284058.db2.gz CFQJLJWBGZTIBV-HNNXBMFYSA-N 1 1 311.267 3.569 10 0 DHAEMO CCCC[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@H](N)CC ZINC000042952507 183320846 /nfs/dbraw/zinc/32/08/46/183320846.db2.gz GQAZOVIRSJOFHQ-CABCVRRESA-N 1 1 313.283 3.959 10 0 DHAEMO CCCC[N@@H+](C)[C@@H](c1ccc(Br)cc1)[C@H](N)CC ZINC000042952507 183320848 /nfs/dbraw/zinc/32/08/48/183320848.db2.gz GQAZOVIRSJOFHQ-CABCVRRESA-N 1 1 313.283 3.959 10 0 DHAEMO CC[C@H](N)[C@H](c1ccc(Br)cc1)[N@H+](C)CC1CC1 ZINC000042954048 183321288 /nfs/dbraw/zinc/32/12/88/183321288.db2.gz DAQKWBGQDUDPAR-GJZGRUSLSA-N 1 1 311.267 3.569 10 0 DHAEMO CC[C@H](N)[C@H](c1ccc(Br)cc1)[N@@H+](C)CC1CC1 ZINC000042954048 183321291 /nfs/dbraw/zinc/32/12/91/183321291.db2.gz DAQKWBGQDUDPAR-GJZGRUSLSA-N 1 1 311.267 3.569 10 0 DHAEMO CC[C@H](N)[C@@H](c1ccc(Br)cc1)[N@@H+](CC)C(C)C ZINC000042952812 183321818 /nfs/dbraw/zinc/32/18/18/183321818.db2.gz PKPDXXYATVWTEE-LSDHHAIUSA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CC)C(C)C ZINC000042952812 183321820 /nfs/dbraw/zinc/32/18/20/183321820.db2.gz PKPDXXYATVWTEE-LSDHHAIUSA-N 1 1 313.283 3.958 10 0 DHAEMO C[C@@H](N)[C@@H](c1ccc(Br)cc1)[N@@H+](C)C1CCCC1 ZINC000042952835 183321875 /nfs/dbraw/zinc/32/18/75/183321875.db2.gz SFPGQYXLNNGVGD-ABAIWWIYSA-N 1 1 311.267 3.712 10 0 DHAEMO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)C1CCCC1 ZINC000042952835 183321876 /nfs/dbraw/zinc/32/18/76/183321876.db2.gz SFPGQYXLNNGVGD-ABAIWWIYSA-N 1 1 311.267 3.712 10 0 DHAEMO CC(C)CC[N@H+](C)[C@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042954348 183322322 /nfs/dbraw/zinc/32/23/22/183322322.db2.gz HJPQRQLGEPHQPZ-DOMZBBRYSA-N 1 1 313.283 3.815 10 0 DHAEMO CC(C)CC[N@@H+](C)[C@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042954348 183322325 /nfs/dbraw/zinc/32/23/25/183322325.db2.gz HJPQRQLGEPHQPZ-DOMZBBRYSA-N 1 1 313.283 3.815 10 0 DHAEMO C[C@@H](N)[C@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H](C)C1CC1 ZINC000042953324 183322384 /nfs/dbraw/zinc/32/23/84/183322384.db2.gz ZMDBRBHTDNBFOM-JRPNMDOOSA-N 1 1 311.267 3.568 10 0 DHAEMO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)[C@@H](C)C1CC1 ZINC000042953324 183322386 /nfs/dbraw/zinc/32/23/86/183322386.db2.gz ZMDBRBHTDNBFOM-JRPNMDOOSA-N 1 1 311.267 3.568 10 0 DHAEMO CC[C@@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](C)CC(C)C ZINC000043020378 183328769 /nfs/dbraw/zinc/32/87/69/183328769.db2.gz MPOBURSQCXAMBL-HUUCEWRRSA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CC(C)C ZINC000043020378 183328770 /nfs/dbraw/zinc/32/87/70/183328770.db2.gz MPOBURSQCXAMBL-HUUCEWRRSA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@H](N)[C@H](c1cccc(Br)c1)[N@H+](C)CC1CC1 ZINC000043021050 183329616 /nfs/dbraw/zinc/32/96/16/183329616.db2.gz GDRNMRKDUUXWMP-GJZGRUSLSA-N 1 1 311.267 3.569 10 0 DHAEMO CC[C@H](N)[C@H](c1cccc(Br)c1)[N@@H+](C)CC1CC1 ZINC000043021050 183329618 /nfs/dbraw/zinc/32/96/18/183329618.db2.gz GDRNMRKDUUXWMP-GJZGRUSLSA-N 1 1 311.267 3.569 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccc(OC(F)F)c3)C2)c1 ZINC000106220304 194190592 /nfs/dbraw/zinc/19/05/92/194190592.db2.gz RHUHZDRQMDPFSO-OAHLLOKOSA-N 1 1 321.371 3.630 10 0 DHAEMO Cc1ccc(Sc2ccc([C@H]3[NH2+]CCc4nc[nH]c43)o2)cc1 ZINC000065492066 184353527 /nfs/dbraw/zinc/35/35/27/184353527.db2.gz SWCQRNMZQNXWCT-QGZVFWFLSA-N 1 1 311.410 3.697 10 0 DHAEMO Cc1ncc(CN2CC[NH+]([C@H](C)c3cccc(C)c3)CC2)s1 ZINC000173673028 332835519 /nfs/dbraw/zinc/83/55/19/332835519.db2.gz LONIBZGIVDTWSL-OAHLLOKOSA-N 1 1 315.486 3.639 10 0 DHAEMO CCCN1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000128947780 332015861 /nfs/dbraw/zinc/01/58/61/332015861.db2.gz NWNGWAAVZBXKOV-QGZVFWFLSA-N 1 1 302.462 3.753 10 0 DHAEMO c1ccc(-c2cccc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)c2)nc1 ZINC000091979151 332098790 /nfs/dbraw/zinc/09/87/90/332098790.db2.gz QGMVBKDPWOJTTI-PMACEKPBSA-N 1 1 308.425 3.892 10 0 DHAEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H](c1ccccc1)c1ccccn1 ZINC000181002280 332172934 /nfs/dbraw/zinc/17/29/34/332172934.db2.gz KULAXVSIOUHAKM-CTNGQTDRSA-N 1 1 323.484 3.881 10 0 DHAEMO O=C(c1ccc(Cl)c(Cl)c1)N1CC[NH2+]Cc2ccccc21 ZINC000062818514 333337463 /nfs/dbraw/zinc/33/74/63/333337463.db2.gz PVXNBQXTNHWROI-UHFFFAOYSA-N 1 1 321.207 3.743 10 0 DHAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1csc(-c2cccs2)n1 ZINC000113269005 335304082 /nfs/dbraw/zinc/30/40/82/335304082.db2.gz OUSXCFPSOKDFAM-TZMCWYRMSA-N 1 1 319.499 3.540 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](CCSCc3ccccc3)C2)c1 ZINC000192577838 336159415 /nfs/dbraw/zinc/15/94/15/336159415.db2.gz XOXLLXNOKGDUKL-GOSISDBHSA-N 1 1 315.486 3.762 10 0 DHAEMO CC(C)c1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000104972422 336273098 /nfs/dbraw/zinc/27/30/98/336273098.db2.gz QODHZUDCUKSZSX-QGZVFWFLSA-N 1 1 301.434 3.512 10 0 DHAEMO CC(C)c1cccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000104981614 336273308 /nfs/dbraw/zinc/27/33/08/336273308.db2.gz QDVVZOZUWJAXIO-KRWDZBQOSA-N 1 1 301.434 3.512 10 0 DHAEMO CCOC(=O)[C@]1(C)CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000301764303 336328437 /nfs/dbraw/zinc/32/84/37/336328437.db2.gz NBSCZAWBZLGYRW-QGZVFWFLSA-N 1 1 318.804 3.668 10 0 DHAEMO CCc1cc(N[C@@H](C)c2cccc(-n3ccnc3)c2)nc(C)[nH+]1 ZINC000302127336 336349839 /nfs/dbraw/zinc/34/98/39/336349839.db2.gz ZYOFZPXXCLMKFA-ZDUSSCGKSA-N 1 1 307.401 3.706 10 0 DHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000122819219 337026707 /nfs/dbraw/zinc/02/67/07/337026707.db2.gz XGYWNVFCGYOSFA-SFHVURJKSA-N 1 1 308.429 3.855 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC000122904210 337030172 /nfs/dbraw/zinc/03/01/72/337030172.db2.gz CUDZIKLHBLFECG-QGZVFWFLSA-N 1 1 301.409 3.730 10 0 DHAEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C)c3ccc(F)cc3)C2)n1 ZINC000171506909 337087600 /nfs/dbraw/zinc/08/76/00/337087600.db2.gz VTOTVOQMLSDJST-XJKSGUPXSA-N 1 1 316.424 3.507 10 0 DHAEMO CCO[C@H]1C[C@H]([N@@H+](C)CCc2scnc2C)C12CCCC2 ZINC000172670651 337129344 /nfs/dbraw/zinc/12/93/44/337129344.db2.gz JLOACUFFHAUYAP-HOTGVXAUSA-N 1 1 308.491 3.664 10 0 DHAEMO Cc1csc([C@H]2CCC[N@@H+](CCc3scnc3C)C2)n1 ZINC000172531749 337129986 /nfs/dbraw/zinc/12/99/86/337129986.db2.gz DEHHJIUIJGYVKM-ZDUSSCGKSA-N 1 1 307.488 3.639 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)o1 ZINC000172593879 337130160 /nfs/dbraw/zinc/13/01/60/337130160.db2.gz IPFKFAHDWDBXMN-MNOVXSKESA-N 1 1 308.328 3.544 10 0 DHAEMO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000172593757 337130223 /nfs/dbraw/zinc/13/02/23/337130223.db2.gz SMDGKEVODLTUJW-ZIAGYGMSSA-N 1 1 316.401 3.583 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000176985620 337154036 /nfs/dbraw/zinc/15/40/36/337154036.db2.gz NCSHOFANTVBVRF-CQSZACIVSA-N 1 1 320.820 3.643 10 0 DHAEMO CCCCCC[C@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000177176958 337154513 /nfs/dbraw/zinc/15/45/13/337154513.db2.gz IGXBLMYOQNZRAZ-DOTOQJQBSA-N 1 1 305.466 3.789 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[C@H](C)C1CCCCC1 ZINC000177167008 337154520 /nfs/dbraw/zinc/15/45/20/337154520.db2.gz LTRLKTJFYXJNTE-YJBOKZPZSA-N 1 1 317.477 3.789 10 0 DHAEMO CCCCC[C@H](C)CC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000177187053 337154603 /nfs/dbraw/zinc/15/46/03/337154603.db2.gz JPROALUHXMXRIC-RDJZCZTQSA-N 1 1 305.466 3.789 10 0 DHAEMO CCC[C@H](NC(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000177336632 337157028 /nfs/dbraw/zinc/15/70/28/337157028.db2.gz MLDQRNXJLVZUGC-MSOLQXFVSA-N 1 1 317.477 3.654 10 0 DHAEMO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000178614921 337165579 /nfs/dbraw/zinc/16/55/79/337165579.db2.gz JQXWIVVFWOXUDV-ICSRJNTNSA-N 1 1 318.424 3.572 10 0 DHAEMO CCC[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1)C(C)C ZINC000179409896 337167844 /nfs/dbraw/zinc/16/78/44/337167844.db2.gz DOTVUEKDQCVAEH-CVEARBPZSA-N 1 1 305.466 3.681 10 0 DHAEMO Cc1csc([C@H]2CCC[N@H+](Cc3cnn(C(C)C)c3)C2)n1 ZINC000179826844 337171991 /nfs/dbraw/zinc/17/19/91/337171991.db2.gz UOTIRQUIODHRSG-HNNXBMFYSA-N 1 1 304.463 3.609 10 0 DHAEMO Cc1csc([C@H]2C[N@H+](CC(C)(C)c3ccccc3)CCO2)n1 ZINC000179974919 337172920 /nfs/dbraw/zinc/17/29/20/337172920.db2.gz JWJSJKLJNVTFFB-MRXNPFEDSA-N 1 1 316.470 3.803 10 0 DHAEMO Cc1csc([C@H]2C[N@@H+](CC(C)(C)c3ccccc3)CCO2)n1 ZINC000179974919 337172921 /nfs/dbraw/zinc/17/29/21/337172921.db2.gz JWJSJKLJNVTFFB-MRXNPFEDSA-N 1 1 316.470 3.803 10 0 DHAEMO COC(=O)c1ccc(F)c(C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000181946178 337185433 /nfs/dbraw/zinc/18/54/33/337185433.db2.gz FLAXTMLWSXLRLS-OAHLLOKOSA-N 1 1 303.333 3.542 10 0 DHAEMO COC(=O)c1ccc(F)c(C[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000181946178 337185434 /nfs/dbraw/zinc/18/54/34/337185434.db2.gz FLAXTMLWSXLRLS-OAHLLOKOSA-N 1 1 303.333 3.542 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1c(C)cccc1SC ZINC000184954916 337201991 /nfs/dbraw/zinc/20/19/91/337201991.db2.gz IUBDZFHBBPHQHN-CQSZACIVSA-N 1 1 321.490 3.665 10 0 DHAEMO FC(F)(F)C1CCC(C[NH+]2CCC(c3ccn[nH]3)CC2)CC1 ZINC000185507347 337248680 /nfs/dbraw/zinc/24/86/80/337248680.db2.gz DBEVLZWBCTXKPS-UHFFFAOYSA-N 1 1 315.383 3.958 10 0 DHAEMO Cc1csc([C@@H]2C[N@H+](CCCCc3ccccc3)CCO2)n1 ZINC000186905162 337260180 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ZINC000187101356 337262436 /nfs/dbraw/zinc/26/24/36/337262436.db2.gz CWLANMABWIKAPY-UXHICEINSA-N 1 1 310.441 3.787 10 0 DHAEMO CC(C)CSCCC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188161655 337271133 /nfs/dbraw/zinc/27/11/33/337271133.db2.gz MIZNUGMSIVHFLM-HOTGVXAUSA-N 1 1 313.532 3.535 10 0 DHAEMO C[C@H](N[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccn1)c1ccccn1 ZINC000584614393 337372637 /nfs/dbraw/zinc/37/26/37/337372637.db2.gz HOBKROOOALTDOO-CPLUKWAASA-N 1 1 324.472 3.789 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CCC2CCCCC2)C1 ZINC000109677659 337388542 /nfs/dbraw/zinc/38/85/42/337388542.db2.gz RYEMZYGNBHTUDJ-KRWDZBQOSA-N 1 1 317.477 3.970 10 0 DHAEMO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000245503378 337473058 /nfs/dbraw/zinc/47/30/58/337473058.db2.gz HYKDMQQRWRVOQK-FMKPAKJESA-N 1 1 310.445 3.822 10 0 DHAEMO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000245503380 337473102 /nfs/dbraw/zinc/47/31/02/337473102.db2.gz HYKDMQQRWRVOQK-IIAWOOMASA-N 1 1 310.445 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O[C@@]12CCCC[C@H]1C[N@@H+](Cc1ccc(OCC3CC3)cc1)CC2 ZINC000248896956 341389741 /nfs/dbraw/zinc/38/97/41/341389741.db2.gz UFLRLDKKIMPAJK-AZUAARDMSA-N 1 1 315.457 3.602 10 0 DHAEMO Cc1csc([C@@H]2C[N@@H+](C[C@@H]3C(C)=CCC[C@@H]3C)CCO2)n1 ZINC000249062904 341393020 /nfs/dbraw/zinc/39/30/20/341393020.db2.gz IFTPTIKCXBRJQD-IMJJTQAJSA-N 1 1 306.475 3.817 10 0 DHAEMO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000127665370 519716463 /nfs/dbraw/zinc/71/64/63/519716463.db2.gz AYOKHSHRLKCWJC-INIZCTEOSA-N 1 1 315.442 3.829 10 0 DHAEMO CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000127665370 519716467 /nfs/dbraw/zinc/71/64/67/519716467.db2.gz AYOKHSHRLKCWJC-INIZCTEOSA-N 1 1 315.442 3.829 10 0 DHAEMO CCOc1ccccc1C[N@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000106217519 521483097 /nfs/dbraw/zinc/48/30/97/521483097.db2.gz PKPXTBUJCHZCMJ-KRWDZBQOSA-N 1 1 313.445 3.681 10 0 DHAEMO CCc1nc(C)c([C@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)s1 ZINC000163800877 522233485 /nfs/dbraw/zinc/23/34/85/522233485.db2.gz GDWZCSZWUMTCLM-BBRMVZONSA-N 1 1 317.502 3.967 10 0 DHAEMO CC[C@H]([NH2+]Cc1nnc(C(C)C)n1C)c1cccc(Cl)c1 ZINC000182600752 522673829 /nfs/dbraw/zinc/67/38/29/522673829.db2.gz XFJNTASTYKJRHK-AWEZNQCLSA-N 1 1 306.841 3.833 10 0 DHAEMO CCc1nnc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)o1 ZINC000127841823 522734397 /nfs/dbraw/zinc/73/43/97/522734397.db2.gz VVPCUPHXEZWCKN-LBPRGKRZSA-N 1 1 320.462 3.592 10 0 DHAEMO CCc1nnc(C[N@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)o1 ZINC000127841823 522734402 /nfs/dbraw/zinc/73/44/02/522734402.db2.gz VVPCUPHXEZWCKN-LBPRGKRZSA-N 1 1 320.462 3.592 10 0 DHAEMO CCc1nnc(C[NH2+]C2(c3cccc(Cl)c3)CCCC2)n1C ZINC000181459968 522741027 /nfs/dbraw/zinc/74/10/27/522741027.db2.gz RYVUZJRBKIEBDZ-UHFFFAOYSA-N 1 1 318.852 3.590 10 0 DHAEMO CCc1nnc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)n1C ZINC000181493603 522747476 /nfs/dbraw/zinc/74/74/76/522747476.db2.gz QCKQDKYVVCDHPC-SFHVURJKSA-N 1 1 316.424 3.538 10 0 DHAEMO CCc1nnc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)n1C ZINC000180280442 522748422 /nfs/dbraw/zinc/74/84/22/522748422.db2.gz ROISJMHCHCJQFB-SFHVURJKSA-N 1 1 316.424 3.538 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000180282512 523156247 /nfs/dbraw/zinc/15/62/47/523156247.db2.gz YBHHFBKRZUHYPX-SFHVURJKSA-N 1 1 316.424 3.767 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000181488215 523157315 /nfs/dbraw/zinc/15/73/15/523157315.db2.gz DWORBNDNKPAZTJ-GOSISDBHSA-N 1 1 316.424 3.767 10 0 DHAEMO C[C@@H](CC[N@@H+]1CCO[C@H](c2nccs2)C1)c1ccccc1 ZINC000191073183 524486916 /nfs/dbraw/zinc/48/69/16/524486916.db2.gz WZXZTPBMGDOZSN-HOCLYGCPSA-N 1 1 302.443 3.710 10 0 DHAEMO C[C@@H](CC[N@H+]1CCO[C@H](c2nccs2)C1)c1ccccc1 ZINC000191073183 524486928 /nfs/dbraw/zinc/48/69/28/524486928.db2.gz WZXZTPBMGDOZSN-HOCLYGCPSA-N 1 1 302.443 3.710 10 0 DHAEMO C[C@H](NCc1ccc2ccccc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102352 525452430 /nfs/dbraw/zinc/45/24/30/525452430.db2.gz AZRIEPPDEZLMEY-WMZOPIPTSA-N 1 1 323.484 3.977 10 0 DHAEMO COc1ccc2oc(C[N@H+]3CCC[C@H]3c3cnn(C)c3)cc2c1 ZINC000131972207 525685316 /nfs/dbraw/zinc/68/53/16/525685316.db2.gz HUMQZQCKIALVQL-KRWDZBQOSA-N 1 1 311.385 3.512 10 0 DHAEMO Cc1c([C@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)cnn1C(C)C ZINC000191136285 525924329 /nfs/dbraw/zinc/92/43/29/525924329.db2.gz JFULKQHKDXVLCR-HNAYVOBHSA-N 1 1 314.477 3.726 10 0 DHAEMO C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000106217869 526064822 /nfs/dbraw/zinc/06/48/22/526064822.db2.gz JYAGKAFUZCFAKA-KXBFYZLASA-N 1 1 306.413 3.829 10 0 DHAEMO C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000106217871 526071776 /nfs/dbraw/zinc/07/17/76/526071776.db2.gz JYAGKAFUZCFAKA-BEFAXECRSA-N 1 1 306.413 3.829 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000106224809 526266199 /nfs/dbraw/zinc/26/61/99/526266199.db2.gz YEMRGKIRPFLBFA-OAHLLOKOSA-N 1 1 307.800 3.821 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000106224809 526266200 /nfs/dbraw/zinc/26/62/00/526266200.db2.gz YEMRGKIRPFLBFA-OAHLLOKOSA-N 1 1 307.800 3.821 10 0 DHAEMO c1coc([C@@H]2CCC[N@@H+]2CCc2nc(-c3ccccc3)no2)c1 ZINC000158411330 526570383 /nfs/dbraw/zinc/57/03/83/526570383.db2.gz JIBLJOLDUXPOHB-HNNXBMFYSA-N 1 1 309.369 3.709 10 0 DHAEMO Cc1nc2c(s1)[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)CCC2 ZINC000163851407 527109573 /nfs/dbraw/zinc/10/95/73/527109573.db2.gz QEJYWVKOAGVCPV-DLBZAZTESA-N 1 1 315.486 3.721 10 0 DHAEMO Cn1cc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)cn1 ZINC000128536198 527301077 /nfs/dbraw/zinc/30/10/77/527301077.db2.gz RINCXBQTOWBLQP-LLVKDONJSA-N 1 1 310.228 3.716 10 0 DHAEMO Cn1cc([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)o3)C2)cn1 ZINC000128352707 527319681 /nfs/dbraw/zinc/31/96/81/527319681.db2.gz UKFHWXXADWMQLZ-INIZCTEOSA-N 1 1 307.397 3.670 10 0 DHAEMO CC(C)C[N@@H+](Cc1ccccn1)C[C@]1(c2ccccc2)CCOC1 ZINC000055199577 563472473 /nfs/dbraw/zinc/47/24/73/563472473.db2.gz DSJFKXVJOVESDL-OAQYLSRUSA-N 1 1 324.468 3.898 10 0 DHAEMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000068592998 563495832 /nfs/dbraw/zinc/49/58/32/563495832.db2.gz UCWSKARTULHLTN-VYDXJSESSA-N 1 1 318.461 3.810 10 0 DHAEMO Cc1cc2[nH]c(-c3ccc(Br)cc3)[nH+]c2cc1N ZINC000078400709 563512476 /nfs/dbraw/zinc/51/24/76/563512476.db2.gz RCSXFANCJLOTLD-UHFFFAOYSA-N 1 1 302.175 3.883 10 0 DHAEMO c1[nH]c([C@H]2CCC[N@H+](CC3=CCCOC3)C2)nc1-c1ccccc1 ZINC000093387294 1032535683 /nfs/dbraw/zinc/53/56/83/1032535683.db2.gz BIFKTBSVOHVYSG-SFHVURJKSA-N 1 1 323.440 3.603 10 0 DHAEMO c1csc(Cn2cccc2C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000093505074 1032543109 /nfs/dbraw/zinc/54/31/09/1032543109.db2.gz GZWPTEZPLBCLPJ-CRAIPNDOSA-N 1 1 316.470 3.599 10 0 DHAEMO Cc1[nH+]ccn1-c1cncc(N[C@H]2CCCc3ccc(F)cc32)n1 ZINC000092976488 1019555269 /nfs/dbraw/zinc/55/52/69/1019555269.db2.gz XGDIRZSJZRBAEL-INIZCTEOSA-N 1 1 323.375 3.599 10 0 DHAEMO COc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3nc(C(C)C)no3)C2)cc1 ZINC000076390240 1030788669 /nfs/dbraw/zinc/78/86/69/1030788669.db2.gz MPZZRAWXAFSUBX-ZFWWWQNUSA-N 1 1 315.417 3.580 10 0 DHAEMO COc1ccc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1Cl ZINC000096871930 185390108 /nfs/dbraw/zinc/39/01/08/185390108.db2.gz FDRKQUHSBKAABC-UHFFFAOYSA-N 1 1 301.777 3.515 10 0 DHAEMO CCC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccc(OC)cc1 ZINC000090225560 185287687 /nfs/dbraw/zinc/28/76/87/185287687.db2.gz FMXNZVFOLQKACM-DLBZAZTESA-N 1 1 314.433 3.561 10 0 DHAEMO CSc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C)nc32)cc1F ZINC000090225294 185287768 /nfs/dbraw/zinc/28/77/68/185287768.db2.gz CGSWBOFBNPCJNQ-YGRLFVJLSA-N 1 1 320.437 3.633 10 0 DHAEMO COc1ccccc1C[C@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)C(C)C ZINC000090528571 185300518 /nfs/dbraw/zinc/30/05/18/185300518.db2.gz XQIKTSPVQJJECT-KDOFPFPSSA-N 1 1 315.461 3.515 10 0 DHAEMO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1C ZINC000092812018 185343631 /nfs/dbraw/zinc/34/36/31/185343631.db2.gz BWLUPTWXDSZUAP-SFHVURJKSA-N 1 1 324.472 3.958 10 0 DHAEMO Cc1cccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1C ZINC000092812018 185343632 /nfs/dbraw/zinc/34/36/32/185343632.db2.gz BWLUPTWXDSZUAP-SFHVURJKSA-N 1 1 324.472 3.958 10 0 DHAEMO CCC[C@@](CC)(c1c[nH+]c(N)c(C)c1)n1nnc2ccccc21 ZINC000005310972 181228474 /nfs/dbraw/zinc/22/84/74/181228474.db2.gz HFYJGDASCZAWLT-SFHVURJKSA-N 1 1 309.417 3.671 10 0 DHAEMO O=C(NC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000016478364 182046290 /nfs/dbraw/zinc/04/62/90/182046290.db2.gz QYAOYCXCWXTZIG-MRXNPFEDSA-N 1 1 314.816 3.517 10 0 DHAEMO O=C(NC[N@H+]1CC[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000016478364 182046293 /nfs/dbraw/zinc/04/62/93/182046293.db2.gz QYAOYCXCWXTZIG-MRXNPFEDSA-N 1 1 314.816 3.517 10 0 DHAEMO CC(C)[C@H](CN[C@@H](C)c1ccc(Br)cc1)[NH+](C)C ZINC000020145578 182192579 /nfs/dbraw/zinc/19/25/79/182192579.db2.gz XTNUTBTVBBQHEQ-WFASDCNBSA-N 1 1 313.283 3.686 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(CCc1ccccc1)Cc1cccnc1 ZINC000022931681 182341970 /nfs/dbraw/zinc/34/19/70/182341970.db2.gz DKCFFWUNXANVHT-OAQYLSRUSA-N 1 1 323.484 3.611 10 0 DHAEMO Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000039046959 183013905 /nfs/dbraw/zinc/01/39/05/183013905.db2.gz ZTXDADOQDAIFNV-UHFFFAOYSA-N 1 1 304.328 3.809 10 0 DHAEMO CCCO[C@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000042424666 183268760 /nfs/dbraw/zinc/26/87/60/183268760.db2.gz XIABZIMQCLMRHM-AWEZNQCLSA-N 1 1 312.251 3.840 10 0 DHAEMO CC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](C)C(N)=S ZINC000042444519 183271120 /nfs/dbraw/zinc/27/11/20/183271120.db2.gz HXCOABAZALVBEA-SECBINFHSA-N 1 1 305.274 3.738 10 0 DHAEMO CC(C)C[N@@H+]([C@@H](CN)c1ccc(Br)cc1)C1CC1 ZINC000042555915 183284722 /nfs/dbraw/zinc/28/47/22/183284722.db2.gz MCKZAHZXPGESAM-HNNXBMFYSA-N 1 1 311.267 3.569 10 0 DHAEMO CC(C)CN([C@@H](C[NH3+])c1ccc(Br)cc1)C1CC1 ZINC000042555915 183284725 /nfs/dbraw/zinc/28/47/25/183284725.db2.gz MCKZAHZXPGESAM-HNNXBMFYSA-N 1 1 311.267 3.569 10 0 DHAEMO CC(C)[N@@H+](CC1CC1)[C@@H](CN)c1cccc(Br)c1 ZINC000042580334 183286387 /nfs/dbraw/zinc/28/63/87/183286387.db2.gz ZUUABJADFDQRNU-HNNXBMFYSA-N 1 1 311.267 3.569 10 0 DHAEMO CC(C)N(CC1CC1)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042580334 183286390 /nfs/dbraw/zinc/28/63/90/183286390.db2.gz ZUUABJADFDQRNU-HNNXBMFYSA-N 1 1 311.267 3.569 10 0 DHAEMO CC(C)C[N@@H+](CC(=O)c1ccccc1Br)C(C)C ZINC000042587882 183288042 /nfs/dbraw/zinc/28/80/42/183288042.db2.gz XGXKVIUUAGITED-UHFFFAOYSA-N 1 1 312.251 3.998 10 0 DHAEMO CCC(CC)[N@H+](CCOC)CC(=O)c1ccc(Cl)s1 ZINC000042680614 183296212 /nfs/dbraw/zinc/29/62/12/183296212.db2.gz BEPSXJBRGHVIDV-UHFFFAOYSA-N 1 1 303.855 3.721 10 0 DHAEMO CCC(CC)[N@@H+](CCOC)CC(=O)c1ccc(Cl)s1 ZINC000042680614 183296216 /nfs/dbraw/zinc/29/62/16/183296216.db2.gz BEPSXJBRGHVIDV-UHFFFAOYSA-N 1 1 303.855 3.721 10 0 DHAEMO CC[C@@H](N)[C@H](c1cccc(Br)c1)[N@@H+](C)CC(C)C ZINC000043020381 183328423 /nfs/dbraw/zinc/32/84/23/183328423.db2.gz MPOBURSQCXAMBL-CABCVRRESA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CC(C)C ZINC000043020381 183328425 /nfs/dbraw/zinc/32/84/25/183328425.db2.gz MPOBURSQCXAMBL-CABCVRRESA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@@H](N)[C@H](c1cccc(Br)c1)[N@@H+](CC)C(C)C ZINC000043020327 183328838 /nfs/dbraw/zinc/32/88/38/183328838.db2.gz BARSZRFBCOGEMA-CABCVRRESA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(CC)C(C)C ZINC000043020327 183328841 /nfs/dbraw/zinc/32/88/41/183328841.db2.gz BARSZRFBCOGEMA-CABCVRRESA-N 1 1 313.283 3.958 10 0 DHAEMO CCC(CC)[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020645 183329563 /nfs/dbraw/zinc/32/95/63/183329563.db2.gz JATYNYXXERTEKI-IAQYHMDHSA-N 1 1 313.283 3.958 10 0 DHAEMO CCC(CC)N(C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020645 183329568 /nfs/dbraw/zinc/32/95/68/183329568.db2.gz JATYNYXXERTEKI-IAQYHMDHSA-N 1 1 313.283 3.958 10 0 DHAEMO COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000120436963 195166754 /nfs/dbraw/zinc/16/67/54/195166754.db2.gz WITAWUZQEZWDNE-SFTDATJTSA-N 1 1 324.468 3.965 10 0 DHAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC000238855281 257260128 /nfs/dbraw/zinc/26/01/28/257260128.db2.gz RFSKETHKTZEBGO-VYDXJSESSA-N 1 1 318.461 3.668 10 0 DHAEMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000151626984 332209381 /nfs/dbraw/zinc/20/93/81/332209381.db2.gz CBZZLGHBSCLGEE-NXHRZFHOSA-N 1 1 314.473 3.751 10 0 DHAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000151626984 332209383 /nfs/dbraw/zinc/20/93/83/332209383.db2.gz CBZZLGHBSCLGEE-NXHRZFHOSA-N 1 1 314.473 3.751 10 0 DHAEMO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1nnc3n1CCCC3)CCC2 ZINC000166732583 335828663 /nfs/dbraw/zinc/82/86/63/335828663.db2.gz FSZLNNFKJSVWSR-YOEHRIQHSA-N 1 1 310.445 3.651 10 0 DHAEMO CC(C)(C[C@H]1CCC[N@H+]([C@H]2CCOC3(CCC3)C2)C1)C(N)=O ZINC000333288494 336201153 /nfs/dbraw/zinc/20/11/53/336201153.db2.gz ZOJWVRZYTUHUOP-CABCVRRESA-N 1 1 308.466 3.752 10 0 DHAEMO CC(C)(C)c1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000104971577 336273015 /nfs/dbraw/zinc/27/30/15/336273015.db2.gz GPZWMDAXOPMJQC-KRWDZBQOSA-N 1 1 315.461 3.686 10 0 DHAEMO CCS[C@H]1CC[C@@]1(O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000301497532 336310527 /nfs/dbraw/zinc/31/05/27/336310527.db2.gz UYQQXAOOMSNEQJ-JKSUJKDBSA-N 1 1 322.861 3.947 10 0 DHAEMO CCCOc1cccc(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000123064671 337034981 /nfs/dbraw/zinc/03/49/81/337034981.db2.gz OUTGXFLZZSEFLU-SFHVURJKSA-N 1 1 313.445 3.817 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cnc(C2CCCC2)s1 ZINC000123384363 337045467 /nfs/dbraw/zinc/04/54/67/337045467.db2.gz SVPMEPSSKMADPI-OAHLLOKOSA-N 1 1 307.507 3.717 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cccc(-c2cccnc2)c1 ZINC000123399224 337045583 /nfs/dbraw/zinc/04/55/83/337045583.db2.gz KDLIYVCTOLTTGY-FQEVSTJZSA-N 1 1 309.457 3.665 10 0 DHAEMO CCN1CCC[C@H]1C[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000123399224 337045584 /nfs/dbraw/zinc/04/55/84/337045584.db2.gz KDLIYVCTOLTTGY-FQEVSTJZSA-N 1 1 309.457 3.665 10 0 DHAEMO CCN1CCC[C@H]1C[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000123399224 337045585 /nfs/dbraw/zinc/04/55/85/337045585.db2.gz KDLIYVCTOLTTGY-FQEVSTJZSA-N 1 1 309.457 3.665 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)CCCC(C)C ZINC000175510585 337147763 /nfs/dbraw/zinc/14/77/63/337147763.db2.gz OXKQJKWEKRDSTN-RDJZCZTQSA-N 1 1 320.481 3.580 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CC2CCCCCC2)C1 ZINC000176281001 337150612 /nfs/dbraw/zinc/15/06/12/337150612.db2.gz GHRZDLCKEBNQTC-QGZVFWFLSA-N 1 1 317.477 3.970 10 0 DHAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2nc(C(F)F)nc3ccccc32)C1 ZINC000176798206 337153158 /nfs/dbraw/zinc/15/31/58/337153158.db2.gz CZGQVJZXQKKXGR-RISCZKNCSA-N 1 1 320.387 3.708 10 0 DHAEMO CCCCCC[C@@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000177176946 337154605 /nfs/dbraw/zinc/15/46/05/337154605.db2.gz IGXBLMYOQNZRAZ-NVXWUHKLSA-N 1 1 305.466 3.789 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C1CCCCCCC1 ZINC000177198640 337154667 /nfs/dbraw/zinc/15/46/67/337154667.db2.gz HVXHKZGVSQDULE-KRWDZBQOSA-N 1 1 303.450 3.543 10 0 DHAEMO Cc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c(C)s1 ZINC000178910180 337166352 /nfs/dbraw/zinc/16/63/52/337166352.db2.gz LQFCCNXKURIYBB-RHSMWYFYSA-N 1 1 323.408 3.951 10 0 DHAEMO Cc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c(C)s1 ZINC000178910180 337166353 /nfs/dbraw/zinc/16/63/53/337166353.db2.gz LQFCCNXKURIYBB-RHSMWYFYSA-N 1 1 323.408 3.951 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000178886150 337167332 /nfs/dbraw/zinc/16/73/32/337167332.db2.gz MQVQCRVLQVXDPT-CVEARBPZSA-N 1 1 317.477 3.825 10 0 DHAEMO CCC[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1)C(C)C ZINC000179409879 337167736 /nfs/dbraw/zinc/16/77/36/337167736.db2.gz DOTVUEKDQCVAEH-HOTGVXAUSA-N 1 1 305.466 3.681 10 0 DHAEMO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3nnc(C(C)C)n3C)C2)c1 ZINC000183476588 337191871 /nfs/dbraw/zinc/19/18/71/337191871.db2.gz HLCMGIKFCKNFRZ-MRXNPFEDSA-N 1 1 312.461 3.545 10 0 DHAEMO Cc1cc(C)cc([C@@H]2CC[N@H+](Cc3nnc(C(C)C)n3C)C2)c1 ZINC000183476588 337191872 /nfs/dbraw/zinc/19/18/72/337191872.db2.gz HLCMGIKFCKNFRZ-MRXNPFEDSA-N 1 1 312.461 3.545 10 0 DHAEMO C[C@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000187042951 337261453 /nfs/dbraw/zinc/26/14/53/337261453.db2.gz KPSOYXPWZSLYTI-OLZOCXBDSA-N 1 1 322.815 3.544 10 0 DHAEMO CCC[C@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccsc1 ZINC000187739021 337269646 /nfs/dbraw/zinc/26/96/46/337269646.db2.gz XCFADBHWMRSOBT-OCCSQVGLSA-N 1 1 304.463 3.868 10 0 DHAEMO c1cn(C[C@H]2CCC[N@H+]2Cc2cnc(C3CCCC3)s2)cn1 ZINC000188417463 337273210 /nfs/dbraw/zinc/27/32/10/337273210.db2.gz AXVYZFTXKTWXMP-OAHLLOKOSA-N 1 1 316.474 3.662 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3F)C2)no1 ZINC000189000715 337276255 /nfs/dbraw/zinc/27/62/55/337276255.db2.gz CJCISEKOECECSD-GFCCVEGCSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3F)C2)no1 ZINC000189000715 337276256 /nfs/dbraw/zinc/27/62/56/337276256.db2.gz CJCISEKOECECSD-GFCCVEGCSA-N 1 1 323.799 3.625 10 0 DHAEMO c1csc([C@@H]2CCCC[N@@H+]2CC2CCC3(CC2)OCCO3)n1 ZINC000190206157 337285652 /nfs/dbraw/zinc/28/56/52/337285652.db2.gz JRYDTFMEDPUMAP-HNNXBMFYSA-N 1 1 322.474 3.603 10 0 DHAEMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000191869684 337301790 /nfs/dbraw/zinc/30/17/90/337301790.db2.gz UFIQZGQHONJXLQ-OAHLLOKOSA-N 1 1 323.362 3.955 10 0 DHAEMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000192105715 337302877 /nfs/dbraw/zinc/30/28/77/337302877.db2.gz FGEYPYBRQBCWIH-IBGZPJMESA-N 1 1 321.428 3.631 10 0 DHAEMO Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)[C@@H](C)C1CC1 ZINC000192939638 337308572 /nfs/dbraw/zinc/30/85/72/337308572.db2.gz SKDFOBJFZMWRMG-LBPRGKRZSA-N 1 1 303.406 3.697 10 0 DHAEMO COc1cccc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1F ZINC000192951515 337308652 /nfs/dbraw/zinc/30/86/52/337308652.db2.gz QXOIBCOLPQZFEU-OAHLLOKOSA-N 1 1 317.408 3.522 10 0 DHAEMO C[C@@H]([NH2+][C@H]1CCCC[C@H]1N[C@@H](C)c1ccccn1)c1ccccn1 ZINC000584614400 337372611 /nfs/dbraw/zinc/37/26/11/337372611.db2.gz HOBKROOOALTDOO-OBMJPTGESA-N 1 1 324.472 3.789 10 0 DHAEMO CCN(CCCNc1cc[nH+]c2cc(Cl)ccc12)C(C)=O ZINC000584591097 337373406 /nfs/dbraw/zinc/37/34/06/337373406.db2.gz GPWNAPRJKRFHFE-UHFFFAOYSA-N 1 1 305.809 3.559 10 0 DHAEMO c1coc(-c2noc(C[N@@H+]3CCC[C@@H]3c3cccs3)n2)c1 ZINC000029962651 337389881 /nfs/dbraw/zinc/38/98/81/337389881.db2.gz ABRRNGDYQRIHIB-LLVKDONJSA-N 1 1 301.371 3.728 10 0 DHAEMO c1coc(-c2noc(C[N@H+]3CCC[C@@H]3c3cccs3)n2)c1 ZINC000029962651 337389882 /nfs/dbraw/zinc/38/98/82/337389882.db2.gz ABRRNGDYQRIHIB-LLVKDONJSA-N 1 1 301.371 3.728 10 0 DHAEMO CCCc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000130936055 337435343 /nfs/dbraw/zinc/43/53/43/337435343.db2.gz MRIMTPRUEFZFRA-CABCVRRESA-N 1 1 312.461 3.979 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000245535620 337474225 /nfs/dbraw/zinc/47/42/25/337474225.db2.gz ZAIVTMXVQAKEDM-KZNAEPCWSA-N 1 1 317.477 3.645 10 0 DHAEMO Brc1ccc(C[NH2+][C@@H]2COc3ccccc32)s1 ZINC000070070199 337546290 /nfs/dbraw/zinc/54/62/90/337546290.db2.gz KSACONNGBAYYEE-LLVKDONJSA-N 1 1 310.216 3.734 10 0 DHAEMO Fc1ccccc1NC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000072688339 337548243 /nfs/dbraw/zinc/54/82/43/337548243.db2.gz ZDSFEKUJTLMPJN-UHFFFAOYSA-N 1 1 319.811 3.951 10 0 DHAEMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)C(C)C)cc1 ZINC000086339349 338015287 /nfs/dbraw/zinc/01/52/87/338015287.db2.gz GTYSAQLYHIRNBV-KGLIPLIRSA-N 1 1 314.433 3.585 10 0 DHAEMO C[C@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1nnc2n1CCCC2 ZINC000178075470 340446606 /nfs/dbraw/zinc/44/66/06/340446606.db2.gz AIWNLJYSOYBDBS-XHDPSFHLSA-N 1 1 316.836 3.606 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCc3ccccc32)o1 ZINC000194021699 340588116 /nfs/dbraw/zinc/58/81/16/340588116.db2.gz RAYSWJCINNFMJJ-GJZGRUSLSA-N 1 1 312.413 3.607 10 0 DHAEMO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000132219786 341118742 /nfs/dbraw/zinc/11/87/42/341118742.db2.gz GFYUMDPBSCQIAM-SJLPKXTDSA-N 1 1 318.436 3.584 10 0 DHAEMO CC[N@H+]1CC[C@H](Nc2ccc(-n3ccnc3)c(Cl)c2)[C@@H](C)C1 ZINC000245608956 341305126 /nfs/dbraw/zinc/30/51/26/341305126.db2.gz UJVBSBFQLXGAGS-BBRMVZONSA-N 1 1 318.852 3.668 10 0 DHAEMO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+]([C@@H]2C=CCCC2)C1 ZINC000246789180 341357002 /nfs/dbraw/zinc/35/70/02/341357002.db2.gz SERPUABFDQWOCI-BZUAXINKSA-N 1 1 311.347 3.922 10 0 DHAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc2ccccc21 ZINC000247707303 341369463 /nfs/dbraw/zinc/36/94/63/341369463.db2.gz ZFWRYYUWDBUQJX-SJORKVTESA-N 1 1 323.440 3.930 10 0 DHAEMO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000248386656 341376113 /nfs/dbraw/zinc/37/61/13/341376113.db2.gz NISNIRQBZXGJSJ-CRAIPNDOSA-N 1 1 320.452 3.528 10 0 DHAEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248624859 341381949 /nfs/dbraw/zinc/38/19/49/341381949.db2.gz YSFMATQWKWDWHH-TWMKSMIVSA-N 1 1 306.494 3.534 10 0 DHAEMO CCCCOC[C@H](O)C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000248659429 341383551 /nfs/dbraw/zinc/38/35/51/341383551.db2.gz VAZSRULJZTUICA-GDBMZVCRSA-N 1 1 305.418 3.603 10 0 DHAEMO CC(C)(C)c1csc(C[NH+]2CCC(Cn3cccn3)CC2)n1 ZINC000120576778 519080366 /nfs/dbraw/zinc/08/03/66/519080366.db2.gz VCORTFXXTZWXIH-UHFFFAOYSA-N 1 1 318.490 3.549 10 0 DHAEMO CC(C)c1nnc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)n1C ZINC000170920759 519887556 /nfs/dbraw/zinc/88/75/56/519887556.db2.gz VJOKKZZPCCVPHL-UHFFFAOYSA-N 1 1 318.852 3.761 10 0 DHAEMO CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C)nc32)cc1 ZINC000181256767 520417618 /nfs/dbraw/zinc/41/76/18/520417618.db2.gz LWDYACHNHIUQHS-DYVFJYSZSA-N 1 1 314.433 3.561 10 0 DHAEMO CCCn1ccnc1CCC[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000191485079 521662719 /nfs/dbraw/zinc/66/27/19/521662719.db2.gz OBJHPEIUDNCYKX-UHFFFAOYSA-N 1 1 322.456 3.906 10 0 DHAEMO CNC(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(C)o2)cc1 ZINC000124643144 521810978 /nfs/dbraw/zinc/81/09/78/521810978.db2.gz CCUJSKNODSPXQP-KRWDZBQOSA-N 1 1 312.413 3.675 10 0 DHAEMO CCc1nnc(C[N@@H+]2CCCC[C@H]2c2cccc(C)c2C)n1C ZINC000174201740 522731728 /nfs/dbraw/zinc/73/17/28/522731728.db2.gz UKLYQLBPBDSZGJ-KRWDZBQOSA-N 1 1 312.461 3.722 10 0 DHAEMO CCc1nnc(C[N@H+]2CCCC[C@H]2c2cccc(C)c2C)n1C ZINC000174201740 522731738 /nfs/dbraw/zinc/73/17/38/522731738.db2.gz UKLYQLBPBDSZGJ-KRWDZBQOSA-N 1 1 312.461 3.722 10 0 DHAEMO CCn1c(C)nnc1C[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000181456991 523154122 /nfs/dbraw/zinc/15/41/22/523154122.db2.gz QNCZXSQCQTYAOR-UHFFFAOYSA-N 1 1 318.852 3.819 10 0 DHAEMO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1NC(C)=O ZINC000158163808 525328165 /nfs/dbraw/zinc/32/81/65/525328165.db2.gz WMDKOIJUKXEJOF-STQMWFEESA-N 1 1 316.401 3.967 10 0 DHAEMO C[C@@H](NCc1ccc2ccccc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102374 525530803 /nfs/dbraw/zinc/53/08/03/525530803.db2.gz AZRIEPPDEZLMEY-AEFFLSMTSA-N 1 1 323.484 3.977 10 0 DHAEMO Cc1ccc([C@H](C)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)o1 ZINC000158121576 525942600 /nfs/dbraw/zinc/94/26/00/525942600.db2.gz RAXCYZLPXVFNKG-CVEARBPZSA-N 1 1 316.445 3.940 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc4ccccc4n3)C2)c1 ZINC000124656641 526267531 /nfs/dbraw/zinc/26/75/31/526267531.db2.gz WAONNJNWGFNYDC-SFHVURJKSA-N 1 1 306.413 3.577 10 0 DHAEMO Cn1cc([C@@H]2CC[N@@H+](CCCSCc3ccccc3)C2)cn1 ZINC000132084340 527301559 /nfs/dbraw/zinc/30/15/59/527301559.db2.gz QNJIVDCPXXIRIK-QGZVFWFLSA-N 1 1 315.486 3.533 10 0 DHAEMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000068592935 563494990 /nfs/dbraw/zinc/49/49/90/563494990.db2.gz RFSKETHKTZEBGO-INMHGKMJSA-N 1 1 318.461 3.668 10 0 DHAEMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000068593034 563495616 /nfs/dbraw/zinc/49/56/16/563495616.db2.gz WZVGIPUTVFCAAB-HLLBOEOZSA-N 1 1 318.461 3.810 10 0 DHAEMO Cn1c2ccccc2nc1[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000086252474 1032257843 /nfs/dbraw/zinc/25/78/43/1032257843.db2.gz XXIXVAQOXAKZRJ-IBGZPJMESA-N 1 1 316.408 3.781 10 0 DHAEMO Cc1cc(C[C@H](C)[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)n[nH]1 ZINC000090531733 185301199 /nfs/dbraw/zinc/30/11/99/185301199.db2.gz LCELWLMLIASSFC-KSSFIOAISA-N 1 1 313.445 3.769 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)no1 ZINC000092814320 185343142 /nfs/dbraw/zinc/34/31/42/185343142.db2.gz RFMHJBLCBBKNNO-GFCCVEGCSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)no1 ZINC000092814320 185343143 /nfs/dbraw/zinc/34/31/43/185343143.db2.gz RFMHJBLCBBKNNO-GFCCVEGCSA-N 1 1 323.799 3.625 10 0 DHAEMO CCCOc1ccc(C(=O)OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000001997806 180905182 /nfs/dbraw/zinc/90/51/82/180905182.db2.gz QSJRZMPYHHJWKX-MRXNPFEDSA-N 1 1 319.445 3.897 10 0 DHAEMO COC[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(F)c(F)c1 ZINC000091413257 193053012 /nfs/dbraw/zinc/05/30/12/193053012.db2.gz VDUAORPJMXKXDF-IRXDYDNUSA-N 1 1 319.351 3.766 10 0 DHAEMO Cc1ncsc1C[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000092973611 193190436 /nfs/dbraw/zinc/19/04/36/193190436.db2.gz VPCOLBLLQWIWJG-OAHLLOKOSA-N 1 1 302.443 3.804 10 0 DHAEMO Cc1ncsc1C[N@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000092973611 193190439 /nfs/dbraw/zinc/19/04/39/193190439.db2.gz VPCOLBLLQWIWJG-OAHLLOKOSA-N 1 1 302.443 3.804 10 0 DHAEMO CCc1ccc([C@H]2CCCC[N@@H+]2Cc2cc(C(N)=O)cs2)o1 ZINC000093459152 193255235 /nfs/dbraw/zinc/25/52/35/193255235.db2.gz NVPBGSYYYMQBQZ-OAHLLOKOSA-N 1 1 318.442 3.730 10 0 DHAEMO CCc1ccc([C@H]2CCCC[N@H+]2Cc2cc(C(N)=O)cs2)o1 ZINC000093459152 193255236 /nfs/dbraw/zinc/25/52/36/193255236.db2.gz NVPBGSYYYMQBQZ-OAHLLOKOSA-N 1 1 318.442 3.730 10 0 DHAEMO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000093612920 193273611 /nfs/dbraw/zinc/27/36/11/193273611.db2.gz WDTYKMWXLFXQEX-AWEZNQCLSA-N 1 1 318.490 3.688 10 0 DHAEMO CCc1c(-c2ccc(Br)cc2)[nH+]c2ccc(N)cn21 ZINC000019953151 182169683 /nfs/dbraw/zinc/16/96/83/182169683.db2.gz HYYXLAZCABUUAY-UHFFFAOYSA-N 1 1 316.202 3.908 10 0 DHAEMO C[N@@H+]([C@H](CN)c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000020081709 182185123 /nfs/dbraw/zinc/18/51/23/182185123.db2.gz QSLRZVKRLJJYQH-OAHLLOKOSA-N 1 1 300.368 3.970 10 0 DHAEMO CN([C@H](C[NH3+])c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000020081709 182185125 /nfs/dbraw/zinc/18/51/25/182185125.db2.gz QSLRZVKRLJJYQH-OAHLLOKOSA-N 1 1 300.368 3.970 10 0 DHAEMO C[N@@H+]([C@@H](CN)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000020081719 182185292 /nfs/dbraw/zinc/18/52/92/182185292.db2.gz BWTLOAGZEUDKQI-HNNXBMFYSA-N 1 1 300.368 3.970 10 0 DHAEMO CN([C@@H](C[NH3+])c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000020081719 182185294 /nfs/dbraw/zinc/18/52/94/182185294.db2.gz BWTLOAGZEUDKQI-HNNXBMFYSA-N 1 1 300.368 3.970 10 0 DHAEMO CCOc1c(Cl)cc(C[NH2+]CCN(CC)CC)cc1Cl ZINC000020477605 182221924 /nfs/dbraw/zinc/22/19/24/182221924.db2.gz XNMVEQCRLMSKHA-UHFFFAOYSA-N 1 1 319.276 3.824 10 0 DHAEMO CC[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000021983332 182301370 /nfs/dbraw/zinc/30/13/70/182301370.db2.gz HUXGLBKCRYRMDA-MRXNPFEDSA-N 1 1 304.434 3.518 10 0 DHAEMO CC[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000021983332 182301373 /nfs/dbraw/zinc/30/13/73/182301373.db2.gz HUXGLBKCRYRMDA-MRXNPFEDSA-N 1 1 304.434 3.518 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(CCc1ccccc1)Cc1cccnc1 ZINC000022931684 182342808 /nfs/dbraw/zinc/34/28/08/182342808.db2.gz DKCFFWUNXANVHT-NRFANRHFSA-N 1 1 323.484 3.611 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)CC1CCCC1 ZINC000023247743 182354326 /nfs/dbraw/zinc/35/43/26/182354326.db2.gz XBSBDOZFXFDZRW-LJQANCHMSA-N 1 1 301.478 3.558 10 0 DHAEMO CCN1CCC[C@@H]1C[N@@H+](Cc1ccncc1)CC1CCCC1 ZINC000023247743 182354329 /nfs/dbraw/zinc/35/43/29/182354329.db2.gz XBSBDOZFXFDZRW-LJQANCHMSA-N 1 1 301.478 3.558 10 0 DHAEMO CCN1CCC[C@@H]1C[N@H+](Cc1ccncc1)CC1CCCC1 ZINC000023247743 182354330 /nfs/dbraw/zinc/35/43/30/182354330.db2.gz XBSBDOZFXFDZRW-LJQANCHMSA-N 1 1 301.478 3.558 10 0 DHAEMO CC(C)CNC(=O)c1ccc([C@@H]2CCC[N@H+]2CC(C)C)s1 ZINC000023506949 182361995 /nfs/dbraw/zinc/36/19/95/182361995.db2.gz NLUGFMMFXXKKMG-AWEZNQCLSA-N 1 1 308.491 3.927 10 0 DHAEMO Cc1ccccc1[C@H](C)[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000024518919 182382666 /nfs/dbraw/zinc/38/26/66/182382666.db2.gz RCDCAFXEQWTQEL-KXBFYZLASA-N 1 1 308.425 3.666 10 0 DHAEMO Nc1c(NC2CCCCC2)nc[nH+]c1NC1CCCCCC1 ZINC000040708751 183120859 /nfs/dbraw/zinc/12/08/59/183120859.db2.gz DPZULTLWSDBLHS-UHFFFAOYSA-N 1 1 303.454 3.938 10 0 DHAEMO Nc1c(NC2CCCCCC2)nc[nH+]c1NC1CCCCC1 ZINC000040708751 183120862 /nfs/dbraw/zinc/12/08/62/183120862.db2.gz DPZULTLWSDBLHS-UHFFFAOYSA-N 1 1 303.454 3.938 10 0 DHAEMO CCC[N@@H+](CC1CC1)[C@H](CN)c1ccc(Br)s1 ZINC000042317673 183253259 /nfs/dbraw/zinc/25/32/59/183253259.db2.gz WPKOWALLBODRHC-LLVKDONJSA-N 1 1 317.296 3.632 10 0 DHAEMO CCCN(CC1CC1)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000042317673 183253263 /nfs/dbraw/zinc/25/32/63/183253263.db2.gz WPKOWALLBODRHC-LLVKDONJSA-N 1 1 317.296 3.632 10 0 DHAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H](CN)c1cccc(Br)c1 ZINC000042563519 183285150 /nfs/dbraw/zinc/28/51/50/183285150.db2.gz SRQOLQZZAOQNSX-WFASDCNBSA-N 1 1 313.283 3.815 10 0 DHAEMO CC(C)C[C@H](C)N(C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042563519 183285154 /nfs/dbraw/zinc/28/51/54/183285154.db2.gz SRQOLQZZAOQNSX-WFASDCNBSA-N 1 1 313.283 3.815 10 0 DHAEMO CC(C)C[C@H](C)[N@@H+](C)CC(=O)c1ccc(Br)cc1 ZINC000042586608 183287837 /nfs/dbraw/zinc/28/78/37/183287837.db2.gz DDWHHBYMKKMJKH-LBPRGKRZSA-N 1 1 312.251 3.998 10 0 DHAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@@H](CN)c1ccc(Br)o1 ZINC000042607001 183290281 /nfs/dbraw/zinc/29/02/81/183290281.db2.gz LDFNWSABLSXDEX-UTUOFQBUSA-N 1 1 315.255 3.552 10 0 DHAEMO C[C@@H]1CCCC[C@H]1N(C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042607001 183290283 /nfs/dbraw/zinc/29/02/83/183290283.db2.gz LDFNWSABLSXDEX-UTUOFQBUSA-N 1 1 315.255 3.552 10 0 DHAEMO C[C@@H]([N@H+](C)[C@@H](CN)c1ccc(Br)s1)C(C)(C)C ZINC000042741960 183304982 /nfs/dbraw/zinc/30/49/82/183304982.db2.gz MGMICVKBWNCQHM-ZJUUUORDSA-N 1 1 319.312 3.877 10 0 DHAEMO C[C@@H]([N@@H+](C)[C@@H](CN)c1ccc(Br)s1)C(C)(C)C ZINC000042741960 183304984 /nfs/dbraw/zinc/30/49/84/183304984.db2.gz MGMICVKBWNCQHM-ZJUUUORDSA-N 1 1 319.312 3.877 10 0 DHAEMO CC[C@H](N)[C@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)C ZINC000042952916 183321485 /nfs/dbraw/zinc/32/14/85/183321485.db2.gz ZIXNJFVLRGFAKE-GJZGRUSLSA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)CC(C)C ZINC000042952916 183321486 /nfs/dbraw/zinc/32/14/86/183321486.db2.gz ZIXNJFVLRGFAKE-GJZGRUSLSA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@H+](C)CC1CC1 ZINC000043021046 183329955 /nfs/dbraw/zinc/32/99/55/183329955.db2.gz GDRNMRKDUUXWMP-LSDHHAIUSA-N 1 1 311.267 3.569 10 0 DHAEMO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](C)CC1CC1 ZINC000043021046 183329957 /nfs/dbraw/zinc/32/99/57/183329957.db2.gz GDRNMRKDUUXWMP-LSDHHAIUSA-N 1 1 311.267 3.569 10 0 DHAEMO CC[C@@H](C)[N@@H+](CCOC)Cc1ccc(Br)s1 ZINC000043678288 183378976 /nfs/dbraw/zinc/37/89/76/183378976.db2.gz PDFXSNYURMQYAI-SNVBAGLBSA-N 1 1 306.269 3.758 10 0 DHAEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C)c3cccc(F)c3)C2)n1 ZINC000106176959 194189600 /nfs/dbraw/zinc/18/96/00/194189600.db2.gz AEKYPLJDQBDJCZ-XJKSGUPXSA-N 1 1 316.424 3.507 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cccc(OC(F)F)c3)C2)c1 ZINC000106220307 194191312 /nfs/dbraw/zinc/19/13/12/194191312.db2.gz RHUHZDRQMDPFSO-HNNXBMFYSA-N 1 1 321.371 3.630 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000106216166 194191484 /nfs/dbraw/zinc/19/14/84/194191484.db2.gz KRGXIVPKULUQSX-CQSZACIVSA-N 1 1 305.372 3.561 10 0 DHAEMO CSc1cccc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106426744 194211907 /nfs/dbraw/zinc/21/19/07/194211907.db2.gz AIVUFDMMXMYHGM-QGZVFWFLSA-N 1 1 314.454 3.520 10 0 DHAEMO CC(C)(C)c1csc(C[NH+]2CCC(c3cc[nH]n3)CC2)n1 ZINC000119679762 195015515 /nfs/dbraw/zinc/01/55/15/195015515.db2.gz MGEZACVIEWRWNO-UHFFFAOYSA-N 1 1 304.463 3.543 10 0 DHAEMO COc1ccc2c(c1)CCC[C@H]2N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000120436655 195166631 /nfs/dbraw/zinc/16/66/31/195166631.db2.gz WITAWUZQEZWDNE-RTWAWAEBSA-N 1 1 324.468 3.965 10 0 DHAEMO CO[C@@H]1CC[N@@H+](Cc2nccs2)C[C@H]1Cc1cccc(C)c1 ZINC000247882420 257115072 /nfs/dbraw/zinc/11/50/72/257115072.db2.gz RKZLCRJSTNEONC-IAGOWNOFSA-N 1 1 316.470 3.531 10 0 DHAEMO Clc1ccc(Cl)c(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000087761808 331791636 /nfs/dbraw/zinc/79/16/36/331791636.db2.gz HKMQJCCFBDEHIF-INIZCTEOSA-N 1 1 313.272 3.957 10 0 DHAEMO CCOCC[N@H+]1CCN(C/C(C)=C\c2ccccc2)C[C@H]1CC ZINC000255021116 332266922 /nfs/dbraw/zinc/26/69/22/332266922.db2.gz ZRPXKUHTLONTPS-XLEPWJDSSA-N 1 1 316.489 3.523 10 0 DHAEMO CCOCCN1CC[N@H+](C/C(C)=C\c2ccccc2)C[C@H]1CC ZINC000255021116 332266924 /nfs/dbraw/zinc/26/69/24/332266924.db2.gz ZRPXKUHTLONTPS-XLEPWJDSSA-N 1 1 316.489 3.523 10 0 DHAEMO CCOCCN1CC[N@@H+](C/C(C)=C\c2ccccc2)C[C@H]1CC ZINC000255021116 332266927 /nfs/dbraw/zinc/26/69/27/332266927.db2.gz ZRPXKUHTLONTPS-XLEPWJDSSA-N 1 1 316.489 3.523 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc(C)c(C)c1 ZINC000176764854 332955879 /nfs/dbraw/zinc/95/58/79/332955879.db2.gz FRQRQEAMNSRUCA-QGZVFWFLSA-N 1 1 312.417 3.505 10 0 DHAEMO CC[N@@H+](CCNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000102066696 334375646 /nfs/dbraw/zinc/37/56/46/334375646.db2.gz XFPBFMUZDSZRIH-CYBMUJFWSA-N 1 1 323.868 3.527 10 0 DHAEMO O[C@]12CCCC[C@@H]1C[N@@H+](CCSCc1ccccc1)CC2 ZINC000192624933 336199664 /nfs/dbraw/zinc/19/96/64/336199664.db2.gz OBVKPLSFZNJSFB-MSOLQXFVSA-N 1 1 305.487 3.547 10 0 DHAEMO Clc1ccc2c(c1)nccc2N1CC[N@H+]2CCCC[C@H]2C1 ZINC000301224408 336295549 /nfs/dbraw/zinc/29/55/49/336295549.db2.gz FJAZTGIEGYDDJN-AWEZNQCLSA-N 1 1 301.821 3.563 10 0 DHAEMO COc1ccc([C@@H]2[C@H](CNc3ccccn3)CCC[N@H+]2C)cc1 ZINC000301275729 336298118 /nfs/dbraw/zinc/29/81/18/336298118.db2.gz ISSXUZWLDQAEBR-QFBILLFUSA-N 1 1 311.429 3.585 10 0 DHAEMO Cc1cccc2c(N3CCC[C@@H]([NH+]4CCCC4)CC3)ccnc12 ZINC000301659410 336321394 /nfs/dbraw/zinc/32/13/94/336321394.db2.gz IVWZQSXVZUTDFN-QGZVFWFLSA-N 1 1 309.457 3.998 10 0 DHAEMO CN(C)c1cc[nH+]c(N[C@@H]2CCCOc3c(Cl)cccc32)n1 ZINC000302031128 336344224 /nfs/dbraw/zinc/34/42/24/336344224.db2.gz SCHHCNIFTAFEIH-CYBMUJFWSA-N 1 1 318.808 3.522 10 0 DHAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC000122904466 337030232 /nfs/dbraw/zinc/03/02/32/337030232.db2.gz CUDZIKLHBLFECG-KRWDZBQOSA-N 1 1 301.409 3.730 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(F)c(Cl)c3)C2)c1 ZINC000123004885 337033805 /nfs/dbraw/zinc/03/38/05/337033805.db2.gz QGKGMXPFDQMIIO-AWEZNQCLSA-N 1 1 307.800 3.821 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)c1 ZINC000123004885 337033806 /nfs/dbraw/zinc/03/38/06/337033806.db2.gz QGKGMXPFDQMIIO-AWEZNQCLSA-N 1 1 307.800 3.821 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@H+](CC[C@@H](C)c3ccccc3)C2)no1 ZINC000193856971 337079756 /nfs/dbraw/zinc/07/97/56/337079756.db2.gz PIMJUPHOARZAMK-NVXWUHKLSA-N 1 1 313.445 3.826 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000171523898 337087748 /nfs/dbraw/zinc/08/77/48/337087748.db2.gz GDTQAFUNPKXTFR-QGZVFWFLSA-N 1 1 313.445 3.552 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Cl)sc1Cl ZINC000177037083 337152949 /nfs/dbraw/zinc/15/29/49/337152949.db2.gz QYJNGWUMFARDRM-VIFPVBQESA-N 1 1 321.273 3.611 10 0 DHAEMO CC(C)[N@@H+]1C[C@H](Nc2nc(C(F)F)nc3ccccc32)[C@@H](C)C1 ZINC000176798216 337153226 /nfs/dbraw/zinc/15/32/26/337153226.db2.gz CZGQVJZXQKKXGR-FZMZJTMJSA-N 1 1 320.387 3.708 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C[C@H](C)C1CCCCC1 ZINC000177167015 337154565 /nfs/dbraw/zinc/15/45/65/337154565.db2.gz LTRLKTJFYXJNTE-MAUKXSAKSA-N 1 1 317.477 3.789 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCCC1CCCCC1 ZINC000177190974 337154704 /nfs/dbraw/zinc/15/47/04/337154704.db2.gz NGODJBYBGCJTQS-SFHVURJKSA-N 1 1 317.477 3.933 10 0 DHAEMO Cn1ncc2c1CCC[C@H]2[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000178614909 337165538 /nfs/dbraw/zinc/16/55/38/337165538.db2.gz JQXWIVVFWOXUDV-QUCCMNQESA-N 1 1 318.424 3.572 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000178886160 337167359 /nfs/dbraw/zinc/16/73/59/337167359.db2.gz MQVQCRVLQVXDPT-JKSUJKDBSA-N 1 1 317.477 3.825 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC000180120307 337171503 /nfs/dbraw/zinc/17/15/03/337171503.db2.gz GHNIIIRPUZMNPK-QGZVFWFLSA-N 1 1 301.409 3.730 10 0 DHAEMO C[C@H](c1ccccc1F)[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188084746 337270507 /nfs/dbraw/zinc/27/05/07/337270507.db2.gz PBZOLUXBKQOWBC-XPKDYRNWSA-N 1 1 305.418 3.656 10 0 DHAEMO CCc1cccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000190069459 337285129 /nfs/dbraw/zinc/28/51/29/337285129.db2.gz SNXCALNZNXGGTL-ROUUACIJSA-N 1 1 301.455 3.518 10 0 DHAEMO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CCCc1ccc2c(c1)CCO2 ZINC000193250997 337309512 /nfs/dbraw/zinc/30/95/12/337309512.db2.gz DVVNZUIFJSUITD-SFHVURJKSA-N 1 1 311.429 3.504 10 0 DHAEMO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)s1 ZINC000131147511 337436460 /nfs/dbraw/zinc/43/64/60/337436460.db2.gz POXOTTGCBRGXTO-VXGBXAGGSA-N 1 1 304.463 3.650 10 0 DHAEMO COc1cc([C@@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1F ZINC000152672833 338209745 /nfs/dbraw/zinc/20/97/45/338209745.db2.gz PLOAAEGUVWAWFK-KDOFPFPSSA-N 1 1 316.420 3.788 10 0 DHAEMO C[N@H+](Cc1ccc2ccccc2n1)C[C@H]1COc2ccccc2O1 ZINC000072822453 341107861 /nfs/dbraw/zinc/10/78/61/341107861.db2.gz IFEMUCMKSQKHPP-KRWDZBQOSA-N 1 1 320.392 3.507 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1[C@H]1CCc2c1cccc2Cl ZINC000246520692 341352388 /nfs/dbraw/zinc/35/23/88/341352388.db2.gz CCCFNEPBRXYEGH-KDOFPFPSSA-N 1 1 315.848 3.997 10 0 DHAEMO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246766206 341356982 /nfs/dbraw/zinc/35/69/82/341356982.db2.gz QZQCPMNVOAEWDW-QAPCUYQASA-N 1 1 303.352 3.581 10 0 DHAEMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246766206 341356983 /nfs/dbraw/zinc/35/69/83/341356983.db2.gz QZQCPMNVOAEWDW-QAPCUYQASA-N 1 1 303.352 3.581 10 0 DHAEMO CC(C)[C@H](CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)c1ccccc1 ZINC000247139084 341361472 /nfs/dbraw/zinc/36/14/72/341361472.db2.gz JSHZIXWBXPWHTA-NEWSRXKRSA-N 1 1 314.473 3.511 10 0 DHAEMO CSc1cccc(C)c1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248556732 341379851 /nfs/dbraw/zinc/37/98/51/341379851.db2.gz CDNKNGNEWISKCQ-ZIAGYGMSSA-N 1 1 321.490 3.567 10 0 DHAEMO Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248657186 341382961 /nfs/dbraw/zinc/38/29/61/341382961.db2.gz SEUXKGJRHNJBKK-ICSRJNTNSA-N 1 1 323.484 3.905 10 0 DHAEMO CCCCOC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000248663284 341383749 /nfs/dbraw/zinc/38/37/49/341383749.db2.gz ZKXMGAUAUZWQKO-OIISXLGYSA-N 1 1 309.450 3.539 10 0 DHAEMO O[C@]12CCCC[C@@H]1C[N@@H+](CC1CCC(C(F)(F)F)CC1)CC2 ZINC000248705106 341384755 /nfs/dbraw/zinc/38/47/55/341384755.db2.gz HIPYNCORHDOKOG-FJBKBRRZSA-N 1 1 319.411 3.982 10 0 DHAEMO CCCn1cc(C[NH2+][C@@H](C)c2ccccc2Br)cn1 ZINC000116912141 521652895 /nfs/dbraw/zinc/65/28/95/521652895.db2.gz YOZMQLMBGFXOMK-LBPRGKRZSA-N 1 1 322.250 3.906 10 0 DHAEMO CC(C)c1nnc(C[NH2+][C@H](C)c2cccc3ccccc32)n1C ZINC000181668028 519888073 /nfs/dbraw/zinc/88/80/73/519888073.db2.gz OAWHBMTVJMNGPM-CQSZACIVSA-N 1 1 308.429 3.943 10 0 DHAEMO COC(=O)c1ccc(Cl)c(C[NH2+][C@H](C)c2ccc(C)o2)c1 ZINC000182565551 522057958 /nfs/dbraw/zinc/05/79/58/522057958.db2.gz JMFJHUNFYSYPIS-LLVKDONJSA-N 1 1 307.777 3.879 10 0 DHAEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3nc(C)cs3)C2)n1 ZINC000130139354 522112068 /nfs/dbraw/zinc/11/20/68/522112068.db2.gz UXMFDJDGMURDSB-GFCCVEGCSA-N 1 1 307.488 3.850 10 0 DHAEMO CCc1csc([C@H]2CCC[N@@H+](Cc3nc(C)cs3)C2)n1 ZINC000130139531 522117200 /nfs/dbraw/zinc/11/72/00/522117200.db2.gz UXMFDJDGMURDSB-LBPRGKRZSA-N 1 1 307.488 3.850 10 0 DHAEMO CCc1nnc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)n1C ZINC000180280425 522744798 /nfs/dbraw/zinc/74/47/98/522744798.db2.gz ROISJMHCHCJQFB-GOSISDBHSA-N 1 1 316.424 3.538 10 0 DHAEMO CCc1nnc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)n1C ZINC000182566746 522748461 /nfs/dbraw/zinc/74/84/61/522748461.db2.gz LVDHSEMCWDHJLL-KRWDZBQOSA-N 1 1 318.852 3.662 10 0 DHAEMO CCn1nccc1C[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000130212214 523727357 /nfs/dbraw/zinc/72/73/57/523727357.db2.gz CNLKMIDPRMPPKO-CQSZACIVSA-N 1 1 318.490 3.863 10 0 DHAEMO CCc1ccc([C@H]2CCCC[N@H+]2C[C@H](O)CC(F)(F)F)o1 ZINC000189391771 524053556 /nfs/dbraw/zinc/05/35/56/524053556.db2.gz WYTMEOIFDLQKJX-DGCLKSJQSA-N 1 1 305.340 3.682 10 0 DHAEMO Cc1cccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1C ZINC000190479379 524407294 /nfs/dbraw/zinc/40/72/94/524407294.db2.gz NBMLYZLZYVENFY-HXUWFJFHSA-N 1 1 323.484 3.652 10 0 DHAEMO C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CCS1 ZINC000131360433 524635807 /nfs/dbraw/zinc/63/58/07/524635807.db2.gz BWLNNVWOJHPUQC-HNNXBMFYSA-N 1 1 314.454 3.598 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000188228382 527189827 /nfs/dbraw/zinc/18/98/27/527189827.db2.gz DCYUKTPQTNDERR-BXUZGUMPSA-N 1 1 312.442 3.987 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180187656 527190567 /nfs/dbraw/zinc/19/05/67/527190567.db2.gz DNFGYPYSEYULFS-HZPDHXFCSA-N 1 1 316.836 3.816 10 0 DHAEMO OC[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@H]1c1ccsc1 ZINC000188148275 527596065 /nfs/dbraw/zinc/59/60/65/527596065.db2.gz ODQIOQSMTOOMMM-RDJZCZTQSA-N 1 1 313.422 3.702 10 0 DHAEMO C[N@H+]1CCc2cc(Cl)c(O)cc2[C@@H]2c3ccccc3CC[C@@H]21 ZINC000008586471 560209654 /nfs/dbraw/zinc/20/96/54/560209654.db2.gz DMJWENQHWZZWDF-HKUYNNGSSA-N 1 1 313.828 3.980 10 0 in-vitro DHAEMO C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000068592917 563494771 /nfs/dbraw/zinc/49/47/71/563494771.db2.gz XMRUFXRESHLTCT-BFYDXBDKSA-N 1 1 318.461 3.810 10 0 DHAEMO O[C@H](C[C@H]1CCCCC[N@H+]1Cc1cc[nH]c1)c1cccs1 ZINC000091891854 1032464166 /nfs/dbraw/zinc/46/41/66/1032464166.db2.gz GNCAXEDGQMLKCX-HZPDHXFCSA-N 1 1 304.459 3.945 10 0 DHAEMO CC(=O)Nc1ccccc1C[N@@H+]1CC=C(c2cccs2)CC1 ZINC000093533823 1032542542 /nfs/dbraw/zinc/54/25/42/1032542542.db2.gz VKVGFXUCUFJZKC-UHFFFAOYSA-N 1 1 312.438 3.996 10 0 DHAEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3nc(C(C)C)no3)C2)cc1 ZINC000076390248 1030791126 /nfs/dbraw/zinc/79/11/26/1030791126.db2.gz MPZZRAWXAFSUBX-DZGCQCFKSA-N 1 1 315.417 3.580 10 0 DHAEMO CCCCc1nc(Cl)c(C[NH2+][C@@H](C)c2cccc(O)c2)[nH]1 ZINC000088398961 185248462 /nfs/dbraw/zinc/24/84/62/185248462.db2.gz RPZGDDXDIQJROU-NSHDSACASA-N 1 1 307.825 3.962 10 0 DHAEMO CC[C@@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccc(Cl)s1 ZINC000090224671 185287373 /nfs/dbraw/zinc/28/73/73/185287373.db2.gz VYJVRGVISUNRHE-GHMZBOCLSA-N 1 1 310.854 3.877 10 0 DHAEMO CCC(=O)O[C@]1(Cc2ccc(C)cc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000004474255 181111511 /nfs/dbraw/zinc/11/15/11/181111511.db2.gz GQGVETQCCLGIHQ-FCEWJHQRSA-N 1 1 303.446 3.590 10 0 DHAEMO CCc1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(C(N)=O)cs2)o1 ZINC000093459151 193254527 /nfs/dbraw/zinc/25/45/27/193254527.db2.gz NVPBGSYYYMQBQZ-HNNXBMFYSA-N 1 1 318.442 3.730 10 0 DHAEMO CCc1ccc([C@@H]2CCCC[N@H+]2Cc2cc(C(N)=O)cs2)o1 ZINC000093459151 193254529 /nfs/dbraw/zinc/25/45/29/193254529.db2.gz NVPBGSYYYMQBQZ-HNNXBMFYSA-N 1 1 318.442 3.730 10 0 DHAEMO C[C@H]1C[C@H](C)CN(C[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000020022961 182179923 /nfs/dbraw/zinc/17/99/23/182179923.db2.gz YEFMNVRZMOMKLW-SLEUVZQESA-N 1 1 300.368 3.683 10 0 DHAEMO CCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000022851424 182336701 /nfs/dbraw/zinc/33/67/01/182336701.db2.gz GVHXIMDYAAVWOH-OAQYLSRUSA-N 1 1 323.484 3.611 10 0 DHAEMO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000022851424 182336702 /nfs/dbraw/zinc/33/67/02/182336702.db2.gz GVHXIMDYAAVWOH-OAQYLSRUSA-N 1 1 323.484 3.611 10 0 DHAEMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000022851424 182336703 /nfs/dbraw/zinc/33/67/03/182336703.db2.gz GVHXIMDYAAVWOH-OAQYLSRUSA-N 1 1 323.484 3.611 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1OC ZINC000022935884 182341987 /nfs/dbraw/zinc/34/19/87/182341987.db2.gz JIFSVNIQDNIJKC-CYBMUJFWSA-N 1 1 317.260 3.576 10 0 DHAEMO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000022935884 182341989 /nfs/dbraw/zinc/34/19/89/182341989.db2.gz JIFSVNIQDNIJKC-CYBMUJFWSA-N 1 1 317.260 3.576 10 0 DHAEMO C[C@@H](N[C@@H](C)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000042597278 183289391 /nfs/dbraw/zinc/28/93/91/183289391.db2.gz IVOQSDUXWMBBAO-QWHCGFSZSA-N 1 1 311.267 3.584 10 0 DHAEMO CCCN(CCC)[C@@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042952091 183320553 /nfs/dbraw/zinc/32/05/53/183320553.db2.gz ZYZOVBFLMSKELB-SWLSCSKDSA-N 1 1 313.283 3.959 10 0 DHAEMO CC(C)CC[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042954345 183321209 /nfs/dbraw/zinc/32/12/09/183321209.db2.gz HJPQRQLGEPHQPZ-IUODEOHRSA-N 1 1 313.283 3.815 10 0 DHAEMO CC(C)CC[N@@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042954345 183321210 /nfs/dbraw/zinc/32/12/10/183321210.db2.gz HJPQRQLGEPHQPZ-IUODEOHRSA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075516 194183917 /nfs/dbraw/zinc/18/39/17/194183917.db2.gz XYUQUPPWVVSENT-MSOLQXFVSA-N 1 1 310.445 3.529 10 0 DHAEMO Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@@H](C)c3ccccc3F)C2)n1 ZINC000106178057 194189879 /nfs/dbraw/zinc/18/98/79/194189879.db2.gz JCPILBNBEQPMTF-BBRMVZONSA-N 1 1 316.424 3.507 10 0 DHAEMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238855817 257260212 /nfs/dbraw/zinc/26/02/12/257260212.db2.gz SUMRNPXVOUVXAY-VYDXJSESSA-N 1 1 318.461 3.810 10 0 DHAEMO c1cncc(-c2cccc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)c2)c1 ZINC000091978950 332116277 /nfs/dbraw/zinc/11/62/77/332116277.db2.gz OTVMBXYVKPGXSC-PMACEKPBSA-N 1 1 308.425 3.892 10 0 DHAEMO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1cccc(F)c1F ZINC000183213135 333053138 /nfs/dbraw/zinc/05/31/38/333053138.db2.gz ZYJRDIXLAASEJV-CXAGYDPISA-N 1 1 304.384 3.918 10 0 DHAEMO OC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1c1ccsc1 ZINC000188124354 333241845 /nfs/dbraw/zinc/24/18/45/333241845.db2.gz CJCLPCXQPYDWOH-HOCLYGCPSA-N 1 1 307.846 3.609 10 0 DHAEMO Oc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1Br ZINC000301869581 336335274 /nfs/dbraw/zinc/33/52/74/336335274.db2.gz IJQMUIRYOGDYMO-UHFFFAOYSA-N 1 1 318.174 3.643 10 0 DHAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000171521353 337087757 /nfs/dbraw/zinc/08/77/57/337087757.db2.gz CAYQSLAZDUWRQV-YOEHRIQHSA-N 1 1 301.409 3.983 10 0 DHAEMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)CCS1 ZINC000171694941 337088642 /nfs/dbraw/zinc/08/86/42/337088642.db2.gz GFSWMQCKZUYSOH-AWEZNQCLSA-N 1 1 314.454 3.606 10 0 DHAEMO c1ccc2nc(CN3CCC[N@H+](C4CCCC4)CC3)ccc2c1 ZINC000172580567 337130080 /nfs/dbraw/zinc/13/00/80/337130080.db2.gz MBPYBDFNMDCRNF-UHFFFAOYSA-N 1 1 309.457 3.685 10 0 DHAEMO Cc1csc([C@H]2CCC[N@H+](Cc3ccccc3N(C)C)C2)n1 ZINC000173602609 337136734 /nfs/dbraw/zinc/13/67/34/337136734.db2.gz ZFLNSMGQPLSCHU-INIZCTEOSA-N 1 1 315.486 3.897 10 0 DHAEMO COc1cccc([C@H](C)[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000175652734 337146868 /nfs/dbraw/zinc/14/68/68/337146868.db2.gz YGFDPNIAEJFCQD-KBXCAEBGSA-N 1 1 313.445 3.944 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C/C=C/c1ccc(C)cc1 ZINC000176690780 337152731 /nfs/dbraw/zinc/15/27/31/337152731.db2.gz PUVOYZSVSDGNHJ-JUGMSXHOSA-N 1 1 323.440 3.594 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(Cl)c1Cl ZINC000177005663 337152763 /nfs/dbraw/zinc/15/27/63/337152763.db2.gz AGNDDCCZDOKIEP-LLVKDONJSA-N 1 1 315.244 3.550 10 0 DHAEMO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)c1nnc2n1CCCC2 ZINC000177461308 337156101 /nfs/dbraw/zinc/15/61/01/337156101.db2.gz BHMKCNFXGQYMGL-YOEHRIQHSA-N 1 1 310.445 3.733 10 0 DHAEMO Cc1oc2nc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)nc(N)c2c1C ZINC000177989195 337159649 /nfs/dbraw/zinc/15/96/49/337159649.db2.gz UEXOUPCRPHCBKJ-KBPBESRZSA-N 1 1 314.433 3.576 10 0 DHAEMO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc2ccccc2n1 ZINC000178409046 337164435 /nfs/dbraw/zinc/16/44/35/337164435.db2.gz JUDXRVILINPKAU-QHCPKHFHSA-N 1 1 324.449 3.604 10 0 DHAEMO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccc2ccccc2n1 ZINC000178409046 337164436 /nfs/dbraw/zinc/16/44/36/337164436.db2.gz JUDXRVILINPKAU-QHCPKHFHSA-N 1 1 324.449 3.604 10 0 DHAEMO CCC[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1)C(C)C ZINC000179409904 337167726 /nfs/dbraw/zinc/16/77/26/337167726.db2.gz DOTVUEKDQCVAEH-HZPDHXFCSA-N 1 1 305.466 3.681 10 0 DHAEMO C[C@H]([NH2+]Cc1nc2ccccc2o1)c1cccc(-n2ccnc2)c1 ZINC000180656179 337177070 /nfs/dbraw/zinc/17/70/70/337177070.db2.gz DBGOHYMEOVNYFU-AWEZNQCLSA-N 1 1 318.380 3.864 10 0 DHAEMO CC(C)c1cnc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)s1 ZINC000183035673 337191070 /nfs/dbraw/zinc/19/10/70/337191070.db2.gz YUHWCZPERSCGEU-AWEZNQCLSA-N 1 1 316.474 3.596 10 0 DHAEMO Cn1cc([C@H]2CC[N@@H+](CC3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000185515386 337248780 /nfs/dbraw/zinc/24/87/80/337248780.db2.gz BKYWQTCGBARKEF-OWYJLGKBSA-N 1 1 315.383 3.578 10 0 DHAEMO Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000186180550 337254142 /nfs/dbraw/zinc/25/41/42/337254142.db2.gz SGOCWYUSUWQBFC-DOTOQJQBSA-N 1 1 324.472 3.959 10 0 DHAEMO c1ccc2c(c1)CO[C@]21CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000186452038 337256410 /nfs/dbraw/zinc/25/64/10/337256410.db2.gz RLBKSKRJOMZLEH-NRFANRHFSA-N 1 1 316.404 3.866 10 0 DHAEMO C[C@H](c1c(F)cccc1F)[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188102589 337270876 /nfs/dbraw/zinc/27/08/76/337270876.db2.gz ZTJQAMKRVUSTGZ-BNOWGMLFSA-N 1 1 323.408 3.795 10 0 DHAEMO CCc1csc([C@H]2CCC[N@@H+](Cc3ccc(F)nc3)C2)n1 ZINC000189315122 337278721 /nfs/dbraw/zinc/27/87/21/337278721.db2.gz XKCVLBZZGRDUOU-ZDUSSCGKSA-N 1 1 305.422 3.619 10 0 DHAEMO Cc1cccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1C ZINC000190287592 337286410 /nfs/dbraw/zinc/28/64/10/337286410.db2.gz MKZDENIHOZLCKX-ROUUACIJSA-N 1 1 301.455 3.573 10 0 DHAEMO CC[NH2+]CC1=N[C@@H](c2ccc(-c3ccccc3)cc2)N(CC)O1 ZINC000584614120 337372535 /nfs/dbraw/zinc/37/25/35/337372535.db2.gz QQGJXXCXZPEWNC-LJQANCHMSA-N 1 1 309.413 3.627 10 0 DHAEMO CCc1nc(C2([NH2+]CCc3ccccc3Cl)CCCC2)no1 ZINC000174237237 340384492 /nfs/dbraw/zinc/38/44/92/340384492.db2.gz UVSPULJCEIASRU-UHFFFAOYSA-N 1 1 319.836 3.887 10 0 DHAEMO CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)[C@H](C)C1 ZINC000133013915 341151853 /nfs/dbraw/zinc/15/18/53/341151853.db2.gz ZWAKPUPJDPABBH-HYVNUMGLSA-N 1 1 302.462 3.609 10 0 DHAEMO CCN1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)[C@H](C)C1 ZINC000133013915 341151854 /nfs/dbraw/zinc/15/18/54/341151854.db2.gz ZWAKPUPJDPABBH-HYVNUMGLSA-N 1 1 302.462 3.609 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000245428436 341293214 /nfs/dbraw/zinc/29/32/14/341293214.db2.gz XFXVJHWOZKIYGD-CZUORRHYSA-N 1 1 323.868 3.527 10 0 DHAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000245921167 341318309 /nfs/dbraw/zinc/31/83/09/341318309.db2.gz MFARAZIDHHFDAK-VDGAXYAQSA-N 1 1 322.452 3.544 10 0 DHAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc3ccccc32)C1 ZINC000246141481 341329191 /nfs/dbraw/zinc/32/91/91/341329191.db2.gz BAOPNLVZODRHPI-RDTXWAMCSA-N 1 1 311.429 3.690 10 0 DHAEMO CC(C)c1ccccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246283992 341339958 /nfs/dbraw/zinc/33/99/58/341339958.db2.gz BUDFKWNDIKQLHS-RHSMWYFYSA-N 1 1 303.450 3.660 10 0 DHAEMO C[C@@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246335210 341342635 /nfs/dbraw/zinc/34/26/35/341342635.db2.gz DWPKFFDOUULOCJ-LLGFUMIMSA-N 1 1 324.468 3.553 10 0 DHAEMO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](C/C=C/c2ccccc2)C1 ZINC000246561043 341353771 /nfs/dbraw/zinc/35/37/71/341353771.db2.gz DYIAEIMBDWYADJ-ZEKNOPMESA-N 1 1 315.363 3.786 10 0 DHAEMO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@@H+](C/C=C/c2ccccc2)C1 ZINC000246561043 341353772 /nfs/dbraw/zinc/35/37/72/341353772.db2.gz DYIAEIMBDWYADJ-ZEKNOPMESA-N 1 1 315.363 3.786 10 0 DHAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCCCc1cccs1 ZINC000247100824 341361004 /nfs/dbraw/zinc/36/10/04/341361004.db2.gz IKSBYZQIDXBXAV-HOTGVXAUSA-N 1 1 320.502 3.546 10 0 DHAEMO CC(C)Sc1ccccc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247346204 341363816 /nfs/dbraw/zinc/36/38/16/341363816.db2.gz NUABABBSVCRRMM-GDBMZVCRSA-N 1 1 320.502 3.646 10 0 DHAEMO C[C@@H]1CCCC[C@H]1C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000248450694 341378099 /nfs/dbraw/zinc/37/80/99/341378099.db2.gz FRMOLTXTTCUQPY-IKGGRYGDSA-N 1 1 316.493 3.968 10 0 DHAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(Cl)sc2Cl)C1 ZINC000158967983 519692020 /nfs/dbraw/zinc/69/20/20/519692020.db2.gz KXUXBEVMSVAHSI-SCZZXKLOSA-N 1 1 321.273 3.513 10 0 DHAEMO CC(C)c1nnc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)n1C ZINC000181358415 519887910 /nfs/dbraw/zinc/88/79/10/519887910.db2.gz LPBMTVYNHXQUSA-KRWDZBQOSA-N 1 1 312.461 3.960 10 0 DHAEMO CCCCC[C@H]([NH2+]Cc1nnc(CC)n1C)c1ccccc1 ZINC000181743350 520312834 /nfs/dbraw/zinc/31/28/34/520312834.db2.gz JWZAETPGIDHSKE-INIZCTEOSA-N 1 1 300.450 3.789 10 0 DHAEMO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C)nc32)cc1 ZINC000181256781 520427677 /nfs/dbraw/zinc/42/76/77/520427677.db2.gz LWDYACHNHIUQHS-GUYCJALGSA-N 1 1 314.433 3.561 10 0 DHAEMO CCSc1cccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000172214164 521768409 /nfs/dbraw/zinc/76/84/09/521768409.db2.gz YOGWFIBQPLIOQH-HNNXBMFYSA-N 1 1 319.474 3.501 10 0 DHAEMO CCc1ccc(C(C)(C)[NH2+]Cc2nnc(C(C)C)n2C)cc1 ZINC000180103522 523902179 /nfs/dbraw/zinc/90/21/79/523902179.db2.gz KLOKUWJQQBBJLF-UHFFFAOYSA-N 1 1 300.450 3.526 10 0 DHAEMO Cc1ccc(CC[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000124319022 524321647 /nfs/dbraw/zinc/32/16/47/524321647.db2.gz MJBLQEZCWBGUIE-GOSISDBHSA-N 1 1 324.472 3.693 10 0 DHAEMO Cc1cccc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)[nH+]1 ZINC000157325238 524564844 /nfs/dbraw/zinc/56/48/44/524564844.db2.gz XVUCLQIJBVPSKO-ZDUSSCGKSA-N 1 1 317.458 3.722 10 0 DHAEMO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(OC(C)(C)C)cc1 ZINC000157225507 525682265 /nfs/dbraw/zinc/68/22/65/525682265.db2.gz MUYXZSPDBCSNOC-CJNGLKHVSA-N 1 1 314.433 3.641 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)o1 ZINC000193114439 525933028 /nfs/dbraw/zinc/93/30/28/525933028.db2.gz KLOUZIZRZNRGHS-IHRRRGAJSA-N 1 1 318.392 3.644 10 0 DHAEMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116319026 526046934 /nfs/dbraw/zinc/04/69/34/526046934.db2.gz AZKLWGLPSOOPPD-OCCSQVGLSA-N 1 1 323.362 3.989 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3cccc(OC(C)C)c3)C2)c1 ZINC000106221118 526266044 /nfs/dbraw/zinc/26/60/44/526266044.db2.gz INWWSAFSALVEPD-GOSISDBHSA-N 1 1 313.445 3.816 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccccc3OC(C)C)C2)c1 ZINC000106219881 526266069 /nfs/dbraw/zinc/26/60/69/526266069.db2.gz PYFJQMCTMFBOQQ-GOSISDBHSA-N 1 1 313.445 3.816 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](CCSc3ccccc3F)C2)c1 ZINC000106224004 526266222 /nfs/dbraw/zinc/26/62/22/526266222.db2.gz DKLATAOJZOYZMA-OAHLLOKOSA-N 1 1 319.449 3.760 10 0 DHAEMO Cc1csc([C@H]2C[N@H+](Cc3cc(C)cc(C)c3)CCO2)n1 ZINC000157776919 526444794 /nfs/dbraw/zinc/44/47/94/526444794.db2.gz FPPYJUVKKJFAIO-MRXNPFEDSA-N 1 1 302.443 3.642 10 0 DHAEMO Cc1csc([C@H]2C[N@@H+](Cc3cc(C)cc(C)c3)CCO2)n1 ZINC000157776919 526444799 /nfs/dbraw/zinc/44/47/99/526444799.db2.gz FPPYJUVKKJFAIO-MRXNPFEDSA-N 1 1 302.443 3.642 10 0 DHAEMO Clc1ccc(CCC[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000157753223 526941796 /nfs/dbraw/zinc/94/17/96/526941796.db2.gz UVZXOUVZWOUFEA-HNNXBMFYSA-N 1 1 322.861 3.803 10 0 DHAEMO Clc1ccc(CCC[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000157753223 526941804 /nfs/dbraw/zinc/94/18/04/526941804.db2.gz UVZXOUVZWOUFEA-HNNXBMFYSA-N 1 1 322.861 3.803 10 0 DHAEMO Cn1cc([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3)C2)cn1 ZINC000128414564 527301451 /nfs/dbraw/zinc/30/14/51/527301451.db2.gz USXJXWBFHBEHJY-GFCCVEGCSA-N 1 1 310.228 3.716 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1F ZINC000180132026 527441084 /nfs/dbraw/zinc/44/10/84/527441084.db2.gz UHGDXASAJHORBN-AWEZNQCLSA-N 1 1 307.800 3.649 10 0 DHAEMO Cc1oc(-c2ccco2)nc1C[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000012585531 551199795 /nfs/dbraw/zinc/19/97/95/551199795.db2.gz NVGPCGUJNQAMPN-HNNXBMFYSA-N 1 1 324.380 3.679 10 0 DHAEMO Cc1oc(-c2ccco2)nc1C[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC000012585531 551199799 /nfs/dbraw/zinc/19/97/99/551199799.db2.gz NVGPCGUJNQAMPN-HNNXBMFYSA-N 1 1 324.380 3.679 10 0 DHAEMO Cc1nc([C@@H]2[NH2+]CCc3ccsc32)sc1Br ZINC000719295235 563478008 /nfs/dbraw/zinc/47/80/08/563478008.db2.gz XQLFLUNAHDKTSI-MRVPVSSYSA-N 1 1 315.261 3.511 10 0 DHAEMO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC[N@H+]1Cc1ccccc1 ZINC000068592920 563495065 /nfs/dbraw/zinc/49/50/65/563495065.db2.gz XMRUFXRESHLTCT-ZMSDIMECSA-N 1 1 318.461 3.810 10 0 DHAEMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000068593037 563495336 /nfs/dbraw/zinc/49/53/36/563495336.db2.gz WZVGIPUTVFCAAB-YQQAZPJKSA-N 1 1 318.461 3.810 10 0 DHAEMO CC[C@H](O)C[N@@H+](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000036101978 563893537 /nfs/dbraw/zinc/89/35/37/563893537.db2.gz FLTKBGUGRVNNJA-IBGZPJMESA-N 1 1 301.405 3.907 10 0 DHAEMO c1ccc2[nH]c(SC[C@@H]3CCC[N@H+]4CCCC[C@H]34)nc2c1 ZINC000008775432 563927459 /nfs/dbraw/zinc/92/74/59/563927459.db2.gz AVHMUPJYYXTAQW-XJKSGUPXSA-N 1 1 301.459 3.920 10 0 DHAEMO C[N@H+](Cc1ncc(-c2ccccc2Cl)o1)[C@@H]1CCSC1 ZINC000089936596 1032372815 /nfs/dbraw/zinc/37/28/15/1032372815.db2.gz QYNPMKMARHUKAV-LLVKDONJSA-N 1 1 308.834 3.932 10 0 DHAEMO C[N@@H+](Cc1ncc(-c2ccccc2Cl)o1)[C@@H]1CCSC1 ZINC000089936596 1032372825 /nfs/dbraw/zinc/37/28/25/1032372825.db2.gz QYNPMKMARHUKAV-LLVKDONJSA-N 1 1 308.834 3.932 10 0 DHAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000088559870 185258024 /nfs/dbraw/zinc/25/80/24/185258024.db2.gz VBZJKJSACLHKHI-BXUZGUMPSA-N 1 1 304.825 3.680 10 0 DHAEMO C[C@H]([NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)c1cnccn1 ZINC000090461113 185297635 /nfs/dbraw/zinc/29/76/35/185297635.db2.gz NEEVPXUVFILXTJ-HOCLYGCPSA-N 1 1 309.413 3.964 10 0 DHAEMO C[C@@H]([NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)c1cnccn1 ZINC000090461115 185297837 /nfs/dbraw/zinc/29/78/37/185297837.db2.gz NEEVPXUVFILXTJ-ZBFHGGJFSA-N 1 1 309.413 3.964 10 0 DHAEMO Cc1csc([C@@H]2C[N@H+](Cc3ccc(C)cc3C)CCO2)n1 ZINC000092790068 185341255 /nfs/dbraw/zinc/34/12/55/185341255.db2.gz YFBDKGJWKVZKCO-INIZCTEOSA-N 1 1 302.443 3.642 10 0 DHAEMO Cc1csc([C@@H]2C[N@@H+](Cc3ccc(C)cc3C)CCO2)n1 ZINC000092790068 185341256 /nfs/dbraw/zinc/34/12/56/185341256.db2.gz YFBDKGJWKVZKCO-INIZCTEOSA-N 1 1 302.443 3.642 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)no1 ZINC000092814319 185343646 /nfs/dbraw/zinc/34/36/46/185343646.db2.gz RFMHJBLCBBKNNO-LBPRGKRZSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)no1 ZINC000092814319 185343647 /nfs/dbraw/zinc/34/36/47/185343647.db2.gz RFMHJBLCBBKNNO-LBPRGKRZSA-N 1 1 323.799 3.625 10 0 DHAEMO C[N@H+]1CCc2cc(Cl)ccc2[C@H](c2cccc3c2OCC3)C1 ZINC000005966889 181302464 /nfs/dbraw/zinc/30/24/64/181302464.db2.gz MAUFEMWATYGIAF-GOSISDBHSA-N 1 1 313.828 3.895 10 0 DHAEMO C[N@@H+]([C@H](CN)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000020081722 182184953 /nfs/dbraw/zinc/18/49/53/182184953.db2.gz BWTLOAGZEUDKQI-OAHLLOKOSA-N 1 1 300.368 3.970 10 0 DHAEMO CN([C@H](C[NH3+])c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000020081722 182184954 /nfs/dbraw/zinc/18/49/54/182184954.db2.gz BWTLOAGZEUDKQI-OAHLLOKOSA-N 1 1 300.368 3.970 10 0 DHAEMO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000020081913 182185012 /nfs/dbraw/zinc/18/50/12/182185012.db2.gz QGXJNMNXCIJUOK-HUBLWGQQSA-N 1 1 300.368 3.683 10 0 DHAEMO COC(=O)c1ccccc1Nc1cc[nH+]c2ccc(OC)cc12 ZINC000041055422 183160485 /nfs/dbraw/zinc/16/04/85/183160485.db2.gz HUQXPUNHXXMRFH-UHFFFAOYSA-N 1 1 308.337 3.774 10 0 DHAEMO CC(C)[N@@H+](CC1CC1)[C@@H](CN)c1ccc(Br)cc1 ZINC000042580079 183286774 /nfs/dbraw/zinc/28/67/74/183286774.db2.gz PCKNJDVJLVAGLG-HNNXBMFYSA-N 1 1 311.267 3.569 10 0 DHAEMO C[C@H](CN1CCCC1)[NH2+][C@H](C)c1ccccc1Br ZINC000042597536 183289679 /nfs/dbraw/zinc/28/96/79/183289679.db2.gz JERUTYQBGQDATQ-CHWSQXEVSA-N 1 1 311.267 3.584 10 0 DHAEMO C[C@@H]([N@@H+](C)[C@@H](CN)c1cccc(Br)c1)C(C)(C)C ZINC000042741798 183304463 /nfs/dbraw/zinc/30/44/63/183304463.db2.gz PEMGQMNLNKPRSH-RISCZKNCSA-N 1 1 313.283 3.815 10 0 DHAEMO C[C@@H](N(C)[C@@H](C[NH3+])c1cccc(Br)c1)C(C)(C)C ZINC000042741798 183304465 /nfs/dbraw/zinc/30/44/65/183304465.db2.gz PEMGQMNLNKPRSH-RISCZKNCSA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@H](N)[C@@H](c1ccc(Br)cc1)[N@H+](C)CC1CC1 ZINC000042954042 183322258 /nfs/dbraw/zinc/32/22/58/183322258.db2.gz DAQKWBGQDUDPAR-LSDHHAIUSA-N 1 1 311.267 3.569 10 0 DHAEMO CC[C@H](N)[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC1CC1 ZINC000042954042 183322259 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MIZPFXLUXXYDIR-CQSZACIVSA-N 1 1 320.433 3.979 10 0 DHAEMO Cc1cccc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)[nH+]1 ZINC000157325399 524563485 /nfs/dbraw/zinc/56/34/85/524563485.db2.gz XVUCLQIJBVPSKO-CYBMUJFWSA-N 1 1 317.458 3.722 10 0 DHAEMO Cc1cccc([C@@H]([NH2+]Cc2nnc(C3CC3)n2C)C(C)(C)C)c1 ZINC000180787691 524839370 /nfs/dbraw/zinc/83/93/70/524839370.db2.gz WWNJVNKLZGFIQH-QGZVFWFLSA-N 1 1 312.461 3.878 10 0 DHAEMO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1NC(C)=O ZINC000158163665 525333384 /nfs/dbraw/zinc/33/33/84/525333384.db2.gz WMDKOIJUKXEJOF-QWHCGFSZSA-N 1 1 316.401 3.967 10 0 DHAEMO COc1ccc2ccccc2c1C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128375305 525650081 /nfs/dbraw/zinc/65/00/81/525650081.db2.gz SLVJKARIKLEVHK-MRXNPFEDSA-N 1 1 321.424 3.571 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C)o1 ZINC000182573833 525722095 /nfs/dbraw/zinc/72/20/95/525722095.db2.gz QKBYSBVCYGCRAN-GFCCVEGCSA-N 1 1 306.431 3.864 10 0 DHAEMO Cc1csc([C@H]2C[N@H+](C[C@@H](C)Cc3ccccc3)CCO2)n1 ZINC000182036024 526444160 /nfs/dbraw/zinc/44/41/60/526444160.db2.gz KKCOZYYDUDUJME-WMLDXEAASA-N 1 1 316.470 3.704 10 0 DHAEMO Cc1csc([C@H]2C[N@@H+](C[C@@H](C)Cc3ccccc3)CCO2)n1 ZINC000182036024 526444162 /nfs/dbraw/zinc/44/41/62/526444162.db2.gz KKCOZYYDUDUJME-WMLDXEAASA-N 1 1 316.470 3.704 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000188228310 527188309 /nfs/dbraw/zinc/18/83/09/527188309.db2.gz DCYUKTPQTNDERR-FZMZJTMJSA-N 1 1 312.442 3.987 10 0 DHAEMO Cn1cc([C@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3)C2)cn1 ZINC000128414843 527318985 /nfs/dbraw/zinc/31/89/85/527318985.db2.gz USXJXWBFHBEHJY-LBPRGKRZSA-N 1 1 310.228 3.716 10 0 DHAEMO O[C@@H](CCc1ccccc1)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000182299449 527646757 /nfs/dbraw/zinc/64/67/57/527646757.db2.gz RKIKBMIIKGRPOO-DLBZAZTESA-N 1 1 316.470 3.664 10 0 DHAEMO Brc1sccc1[C@H]1[NH2+]CCc2sccc21 ZINC000707028097 568414348 /nfs/dbraw/zinc/41/43/48/568414348.db2.gz NBNRJPRZIPMYTH-JTQLQIEISA-N 1 1 300.246 3.807 10 0 DHAEMO CCOCC1CC[NH+](Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000097376412 563339478 /nfs/dbraw/zinc/33/94/78/563339478.db2.gz BPRLLVQNJDSVIN-UHFFFAOYSA-N 1 1 322.396 3.719 10 0 DHAEMO CCc1cc([C@H]2CCC[N@@H+]2Cc2cc(OC)cc(OC)c2)on1 ZINC000064666997 563485922 /nfs/dbraw/zinc/48/59/22/563485922.db2.gz XYMAMFGVUPSRQN-QGZVFWFLSA-N 1 1 316.401 3.591 10 0 DHAEMO CCc1cc([C@H]2CCC[N@H+]2Cc2cc(OC)cc(OC)c2)on1 ZINC000064666997 563485924 /nfs/dbraw/zinc/48/59/24/563485924.db2.gz XYMAMFGVUPSRQN-QGZVFWFLSA-N 1 1 316.401 3.591 10 0 DHAEMO CCc1cc([C@@H]2CCC[N@@H+]2Cc2cc(OC)cc(OC)c2)on1 ZINC000064666995 563486054 /nfs/dbraw/zinc/48/60/54/563486054.db2.gz XYMAMFGVUPSRQN-KRWDZBQOSA-N 1 1 316.401 3.591 10 0 DHAEMO CCc1cc([C@@H]2CCC[N@H+]2Cc2cc(OC)cc(OC)c2)on1 ZINC000064666995 563486055 /nfs/dbraw/zinc/48/60/55/563486055.db2.gz XYMAMFGVUPSRQN-KRWDZBQOSA-N 1 1 316.401 3.591 10 0 DHAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)C[C@@H]1NC(=O)OC(C)(C)C ZINC000068592705 563494549 /nfs/dbraw/zinc/49/45/49/563494549.db2.gz PQHYEHZEEAWEJB-VYDXJSESSA-N 1 1 318.461 3.810 10 0 DHAEMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000101417861 563557495 /nfs/dbraw/zinc/55/74/95/563557495.db2.gz WZVGIPUTVFCAAB-BFYDXBDKSA-N 1 1 318.461 3.810 10 0 DHAEMO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@@H](C)c2ccncn2)cc1C ZINC000072436747 563595676 /nfs/dbraw/zinc/59/56/76/563595676.db2.gz LYSGRFINOBXIDA-HNNXBMFYSA-N 1 1 321.428 3.677 10 0 DHAEMO Cc1ccc(-c2n[nH]cc2C[N@H+](C)[C@@H](C)c2ccncn2)cc1C ZINC000072436747 563595679 /nfs/dbraw/zinc/59/56/79/563595679.db2.gz LYSGRFINOBXIDA-HNNXBMFYSA-N 1 1 321.428 3.677 10 0 DHAEMO Clc1cccc(C[NH2+]Cc2sncc2Br)c1 ZINC000669379662 563870051 /nfs/dbraw/zinc/87/00/51/563870051.db2.gz HXRPRCMEJRNTOG-UHFFFAOYSA-N 1 1 317.639 3.849 10 0 DHAEMO CC[C@@H](O)C[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1F ZINC000036095355 563893039 /nfs/dbraw/zinc/89/30/39/563893039.db2.gz BISSIJAJHCIKLR-QGZVFWFLSA-N 1 1 317.404 3.607 10 0 DHAEMO CCC[N@@H+](C)Cc1cc(C)c(I)cc1C ZINC000675074923 563910896 /nfs/dbraw/zinc/91/08/96/563910896.db2.gz DGUNQJRMLYTPKB-UHFFFAOYSA-N 1 1 317.214 3.750 10 0 DHAEMO C[N@@H+](CC(=O)N1CCC[C@H]1c1cccs1)C1CCCCC1 ZINC000078954037 1031065276 /nfs/dbraw/zinc/06/52/76/1031065276.db2.gz LFPZEYGMKFEYNO-HNNXBMFYSA-N 1 1 306.475 3.676 10 0 DHAEMO [NH3+][C@H](c1nc2c(s1)CCC2)c1ccc(F)c(C(F)(F)F)c1 ZINC000096795218 185388875 /nfs/dbraw/zinc/38/88/75/185388875.db2.gz PXYFMOKIZVQEPL-LBPRGKRZSA-N 1 1 316.323 3.838 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000090226498 185287598 /nfs/dbraw/zinc/28/75/98/185287598.db2.gz HLLYLKKLCOKKPE-IINYFYTJSA-N 1 1 324.350 3.791 10 0 DHAEMO Cn1nccc1C1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000092810494 185342829 /nfs/dbraw/zinc/34/28/29/185342829.db2.gz DMCIONMZVAGZAH-UHFFFAOYSA-N 1 1 307.800 3.592 10 0 DHAEMO CC[C@H](NCC[NH+](CC)CC)c1ccc(Br)cc1 ZINC000019919506 182164543 /nfs/dbraw/zinc/16/45/43/182164543.db2.gz VYLJKPSQQDYRHO-HNNXBMFYSA-N 1 1 313.283 3.832 10 0 DHAEMO CCCN(CCC)[C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000019995016 182175136 /nfs/dbraw/zinc/17/51/36/182175136.db2.gz VBPOVIUUSKELHP-CQSZACIVSA-N 1 1 304.356 3.707 10 0 DHAEMO C[C@@H]1C[C@@H](C)CN(C[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000020022954 182179868 /nfs/dbraw/zinc/17/98/68/182179868.db2.gz YEFMNVRZMOMKLW-LALPHHSUSA-N 1 1 300.368 3.683 10 0 DHAEMO CCCOc1ccc(Cl)cc1CNC[C@@H]1CCC[N@H+]1CC ZINC000020967824 182256772 /nfs/dbraw/zinc/25/67/72/182256772.db2.gz PNBCDQZHMVGTSR-INIZCTEOSA-N 1 1 310.869 3.703 10 0 DHAEMO CCCOc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCN1CC ZINC000020967824 182256777 /nfs/dbraw/zinc/25/67/77/182256777.db2.gz PNBCDQZHMVGTSR-INIZCTEOSA-N 1 1 310.869 3.703 10 0 DHAEMO COc1ccc(C[NH2+]CC2(N3CCCC3)CCC(C)CC2)cc1 ZINC000040165700 183042476 /nfs/dbraw/zinc/04/24/76/183042476.db2.gz MFVQRNAQFJNUIB-UHFFFAOYSA-N 1 1 316.489 3.830 10 0 DHAEMO CCCC[N@@H+](CC)CC[C@@H](O)c1ccc(Br)cc1 ZINC000041145271 183176079 /nfs/dbraw/zinc/17/60/79/183176079.db2.gz VYMDJANIDNUFQK-OAHLLOKOSA-N 1 1 314.267 3.995 10 0 DHAEMO CCC[N@@H+](CC1CC1)[C@@H](CN)c1ccc(Br)s1 ZINC000042317669 183253113 /nfs/dbraw/zinc/25/31/13/183253113.db2.gz WPKOWALLBODRHC-NSHDSACASA-N 1 1 317.296 3.632 10 0 DHAEMO CCCN(CC1CC1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042317669 183253115 /nfs/dbraw/zinc/25/31/15/183253115.db2.gz WPKOWALLBODRHC-NSHDSACASA-N 1 1 317.296 3.632 10 0 DHAEMO CC[C@@H](N)[C@@H](c1ccc(Br)cc1)[N@H+](C)CC1CC1 ZINC000042954045 183321568 /nfs/dbraw/zinc/32/15/68/183321568.db2.gz DAQKWBGQDUDPAR-HUUCEWRRSA-N 1 1 311.267 3.569 10 0 DHAEMO CC[C@@H](N)[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC1CC1 ZINC000042954045 183321572 /nfs/dbraw/zinc/32/15/72/183321572.db2.gz DAQKWBGQDUDPAR-HUUCEWRRSA-N 1 1 311.267 3.569 10 0 DHAEMO CC[C@@H](N)[C@@H](c1ccc(Br)cc1)[N@@H+](CC)C(C)C ZINC000042952815 183322155 /nfs/dbraw/zinc/32/21/55/183322155.db2.gz PKPDXXYATVWTEE-HUUCEWRRSA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CC)C(C)C ZINC000042952815 183322158 /nfs/dbraw/zinc/32/21/58/183322158.db2.gz PKPDXXYATVWTEE-HUUCEWRRSA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@H](C)C[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020412 183328547 /nfs/dbraw/zinc/32/85/47/183328547.db2.gz XBIXNMOCKUMCPN-YWPYICTPSA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@H](C)CN(C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020412 183328548 /nfs/dbraw/zinc/32/85/48/183328548.db2.gz XBIXNMOCKUMCPN-YWPYICTPSA-N 1 1 313.283 3.815 10 0 DHAEMO CCCC[N@@H+](CC)[C@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020137 183328554 /nfs/dbraw/zinc/32/85/54/183328554.db2.gz MRRGCITYYHVKBI-DOMZBBRYSA-N 1 1 313.283 3.959 10 0 DHAEMO CCCCN(CC)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020137 183328555 /nfs/dbraw/zinc/32/85/55/183328555.db2.gz MRRGCITYYHVKBI-DOMZBBRYSA-N 1 1 313.283 3.959 10 0 DHAEMO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](CC)C(C)C ZINC000043020321 183328594 /nfs/dbraw/zinc/32/85/94/183328594.db2.gz BARSZRFBCOGEMA-LSDHHAIUSA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CC)C(C)C ZINC000043020321 183328595 /nfs/dbraw/zinc/32/85/95/183328595.db2.gz BARSZRFBCOGEMA-LSDHHAIUSA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@@H](N)[C@@H](c1cccc(Br)c1)[N@H+](CC)C1CC1 ZINC000043020298 183328875 /nfs/dbraw/zinc/32/88/75/183328875.db2.gz DMKBRCXWHYYRSK-HUUCEWRRSA-N 1 1 311.267 3.712 10 0 DHAEMO CC[C@@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](CC)C1CC1 ZINC000043020298 183328878 /nfs/dbraw/zinc/32/88/78/183328878.db2.gz DMKBRCXWHYYRSK-HUUCEWRRSA-N 1 1 311.267 3.712 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)c1 ZINC000105899435 194164926 /nfs/dbraw/zinc/16/49/26/194164926.db2.gz XXFSGCOJSDCDPD-KRWDZBQOSA-N 1 1 322.412 3.684 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)c1 ZINC000105899435 194164928 /nfs/dbraw/zinc/16/49/28/194164928.db2.gz XXFSGCOJSDCDPD-KRWDZBQOSA-N 1 1 322.412 3.684 10 0 DHAEMO C[N@@H+](Cc1ccccc1Br)C[C@H]1CCCCC1=O ZINC000060720403 184155059 /nfs/dbraw/zinc/15/50/59/184155059.db2.gz NAFXADLNMAIUOE-CYBMUJFWSA-N 1 1 310.235 3.640 10 0 DHAEMO C[N@H+](Cc1ccccc1Br)C[C@H]1CCCCC1=O ZINC000060720403 184155061 /nfs/dbraw/zinc/15/50/61/184155061.db2.gz NAFXADLNMAIUOE-CYBMUJFWSA-N 1 1 310.235 3.640 10 0 DHAEMO C[N@H+]1CC[C@@H](Nc2ccc(Br)cc2C(F)(F)F)C1 ZINC000061988882 184200066 /nfs/dbraw/zinc/20/00/66/184200066.db2.gz FVLQNJKKSKGHMZ-SECBINFHSA-N 1 1 323.156 3.584 10 0 DHAEMO Clc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000063197519 331487962 /nfs/dbraw/zinc/48/79/62/331487962.db2.gz HVPLARZCAWPXSO-INIZCTEOSA-N 1 1 313.272 3.957 10 0 DHAEMO CCCN1CCC([NH2+][C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000128947983 332015824 /nfs/dbraw/zinc/01/58/24/332015824.db2.gz NWNGWAAVZBXKOV-KRWDZBQOSA-N 1 1 302.462 3.753 10 0 DHAEMO [NH3+][C@@H]1CC[C@H]2CN(Cc3sc4ccccc4c3Cl)C[C@@H]12 ZINC000261774164 332276280 /nfs/dbraw/zinc/27/62/80/332276280.db2.gz PANYOAJGWISSJP-CYZMBNFOSA-N 1 1 306.862 3.724 10 0 DHAEMO COc1ccc([C@H](C)N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1OC ZINC000261840160 332489290 /nfs/dbraw/zinc/48/92/90/332489290.db2.gz YPRDCKBPMGNSIB-ZOBUZTSGSA-N 1 1 320.477 3.665 10 0 DHAEMO COCC[NH2+][C@@H](c1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000053290395 333065616 /nfs/dbraw/zinc/06/56/16/333065616.db2.gz RHBXODWMQCSYHU-OAHLLOKOSA-N 1 1 304.459 3.766 10 0 DHAEMO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190490531 333271553 /nfs/dbraw/zinc/27/15/53/333271553.db2.gz VBYSBBNSWCSRRF-FQEVSTJZSA-N 1 1 323.484 3.652 10 0 DHAEMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000101563250 334327502 /nfs/dbraw/zinc/32/75/02/334327502.db2.gz FOCSGKLGHSREKN-OAHLLOKOSA-N 1 1 316.470 3.782 10 0 DHAEMO CC(=O)N(c1nc(C[NH2+][C@@H]2C[C@H]2C)cs1)c1ccc(C)cc1 ZINC000113335660 335324969 /nfs/dbraw/zinc/32/49/69/335324969.db2.gz YAPUZOPMEGDSES-MLGOLLRUSA-N 1 1 315.442 3.634 10 0 DHAEMO COCC[C@@H](Nc1cc(C)[nH+]c(C)n1)c1ccc(Cl)cc1 ZINC000301641901 336320077 /nfs/dbraw/zinc/32/00/77/336320077.db2.gz MOIXBRPNAYSCSL-OAHLLOKOSA-N 1 1 305.809 3.937 10 0 DHAEMO Brc1ccc(CCNc2[nH]c3ccccc3[nH+]2)o1 ZINC000301883976 336336079 /nfs/dbraw/zinc/33/60/79/336336079.db2.gz NSAYRTOBEFZIEI-UHFFFAOYSA-N 1 1 306.163 3.573 10 0 DHAEMO CCc1cc(N[C@H](C)c2ccc(-c3cncnc3)cc2)nc(C)[nH+]1 ZINC000302101041 336348445 /nfs/dbraw/zinc/34/84/45/336348445.db2.gz PXPCUMSKPGMLBT-CYBMUJFWSA-N 1 1 319.412 3.978 10 0 DHAEMO Cc1[nH+]c(N2CCCC2)ccc1Nc1nc(C(C)(C)C)ns1 ZINC000302510243 336360434 /nfs/dbraw/zinc/36/04/34/336360434.db2.gz NVTLPROTKOJCFC-UHFFFAOYSA-N 1 1 317.462 3.883 10 0 DHAEMO C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CCS1 ZINC000171690779 337088551 /nfs/dbraw/zinc/08/85/51/337088551.db2.gz AJJNRZAADQUGQN-LLVKDONJSA-N 1 1 305.365 3.565 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 ZINC000175384187 337145634 /nfs/dbraw/zinc/14/56/34/337145634.db2.gz GRKVVUCBLMOFIE-OAHLLOKOSA-N 1 1 305.466 3.681 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000177018323 337152785 /nfs/dbraw/zinc/15/27/85/337152785.db2.gz HKENATQWYBGPHG-CQSZACIVSA-N 1 1 315.244 3.550 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C[C@@H](C)C1CCCCC1 ZINC000177166997 337154522 /nfs/dbraw/zinc/15/45/22/337154522.db2.gz LTRLKTJFYXJNTE-CRAIPNDOSA-N 1 1 317.477 3.789 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180887845 337178416 /nfs/dbraw/zinc/17/84/16/337178416.db2.gz BIKINRAGWSGSML-CQSZACIVSA-N 1 1 321.428 3.519 10 0 DHAEMO CCCCC[C@@H](CC)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000181202903 337180225 /nfs/dbraw/zinc/18/02/25/337180225.db2.gz HMUNBYUBTFITQW-IAGOWNOFSA-N 1 1 305.466 3.789 10 0 DHAEMO C[C@H]([NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)c1nccn1C ZINC000183343130 337191514 /nfs/dbraw/zinc/19/15/14/337191514.db2.gz VKGHCQMCUREBSA-HOCLYGCPSA-N 1 1 311.429 3.907 10 0 DHAEMO C[C@H](c1cccc(F)c1)[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188093824 337270445 /nfs/dbraw/zinc/27/04/45/337270445.db2.gz KFWUALKSPMSPEW-VMGRFDJRSA-N 1 1 305.418 3.656 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@@H+](C[C@H](O)CC3CCCC3)C2)n1 ZINC000191321558 337295862 /nfs/dbraw/zinc/29/58/62/337295862.db2.gz QEZMUQFAMKMSHN-HZPDHXFCSA-N 1 1 308.491 3.572 10 0 DHAEMO O=C(C[N@@H+]1CCC[C@@H]1c1ccco1)N[C@@H](c1ccccc1)C1CC1 ZINC000116293986 337392439 /nfs/dbraw/zinc/39/24/39/337392439.db2.gz RBQBHVMIIJLSBW-XLIONFOSSA-N 1 1 324.424 3.684 10 0 DHAEMO O=C(C[N@H+]1CCC[C@@H]1c1ccco1)N[C@@H](c1ccccc1)C1CC1 ZINC000116293986 337392440 /nfs/dbraw/zinc/39/24/40/337392440.db2.gz RBQBHVMIIJLSBW-XLIONFOSSA-N 1 1 324.424 3.684 10 0 DHAEMO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1C ZINC000131142573 337436445 /nfs/dbraw/zinc/43/64/45/337436445.db2.gz UJRDPLIZJCWELC-HOTGVXAUSA-N 1 1 312.461 3.951 10 0 DHAEMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)C(C)C)cc1 ZINC000086339348 338015281 /nfs/dbraw/zinc/01/52/81/338015281.db2.gz GTYSAQLYHIRNBV-ZIAGYGMSSA-N 1 1 314.433 3.585 10 0 DHAEMO CC/C=C\CC[N@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000434494713 338218466 /nfs/dbraw/zinc/21/84/66/338218466.db2.gz PSNXFWTZJZEXFI-OGZRUICASA-N 1 1 307.507 3.562 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(c2ncnc3c(C)cccc32)C1 ZINC000177930900 340445630 /nfs/dbraw/zinc/44/56/30/340445630.db2.gz GJRFWFZIWZGERT-HNNXBMFYSA-N 1 1 321.428 3.539 10 0 DHAEMO Cc1ccc([C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000131008293 341056258 /nfs/dbraw/zinc/05/62/58/341056258.db2.gz WGWLFBWFXWLKCP-KBXCAEBGSA-N 1 1 314.404 3.614 10 0 DHAEMO CC(C)NC(=O)CC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000133841917 341193266 /nfs/dbraw/zinc/19/32/66/341193266.db2.gz LBANXYDHJHNLHT-SECBINFHSA-N 1 1 321.223 3.698 10 0 DHAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(Cl)c1C ZINC000245424178 341292931 /nfs/dbraw/zinc/29/29/31/341292931.db2.gz CCEMKAOEHLXGRO-KBPBESRZSA-N 1 1 321.852 3.739 10 0 DHAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000245934876 341318855 /nfs/dbraw/zinc/31/88/55/341318855.db2.gz VLBHYSQDFDNVKT-OALUTQOASA-N 1 1 324.424 3.645 10 0 DHAEMO CC(C)Sc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000246737632 341356540 /nfs/dbraw/zinc/35/65/40/341356540.db2.gz AWLBYWQBYAGULC-RHSMWYFYSA-N 1 1 320.502 3.646 10 0 DHAEMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000248628503 341382148 /nfs/dbraw/zinc/38/21/48/341382148.db2.gz ZITIWCPPVYYTBQ-ULQDDVLXSA-N 1 1 308.510 3.639 10 0 DHAEMO CCCCOC[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000248661559 341383544 /nfs/dbraw/zinc/38/35/44/341383544.db2.gz XHUDJERCUHPZFZ-PBHICJAKSA-N 1 1 311.853 3.655 10 0 DHAEMO CC[C@@H]1C[N@@H+](CC[C@H](C)CCC=C(C)C)CCN1C[C@H](C)O ZINC000248665009 341383614 /nfs/dbraw/zinc/38/36/14/341383614.db2.gz KZYWFUGPMTUKRJ-CEXWTWQISA-N 1 1 310.526 3.536 10 0 DHAEMO CC[C@@H]1CN(CC[C@H](C)CCC=C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000248665009 341383615 /nfs/dbraw/zinc/38/36/15/341383615.db2.gz KZYWFUGPMTUKRJ-CEXWTWQISA-N 1 1 310.526 3.536 10 0 DHAEMO CC[C@@H]1CN(CC[C@H](C)CCC=C(C)C)CC[N@H+]1C[C@H](C)O ZINC000248665009 341383616 /nfs/dbraw/zinc/38/36/16/341383616.db2.gz KZYWFUGPMTUKRJ-CEXWTWQISA-N 1 1 310.526 3.536 10 0 DHAEMO CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000172880065 521100148 /nfs/dbraw/zinc/10/01/48/521100148.db2.gz RYQVCJWCXFWSIQ-ZIAGYGMSSA-N 1 1 316.401 3.665 10 0 DHAEMO CCc1nc(C)c([C@H](C)N[C@H](C[NH+](C)C)c2ccccc2)s1 ZINC000163801096 522233845 /nfs/dbraw/zinc/23/38/45/522233845.db2.gz GDWZCSZWUMTCLM-XJKSGUPXSA-N 1 1 317.502 3.967 10 0 DHAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](CC)c1cccc(F)c1 ZINC000188132111 522513871 /nfs/dbraw/zinc/51/38/71/522513871.db2.gz NHKYQMPRHNNPOF-CABCVRRESA-N 1 1 302.397 3.555 10 0 DHAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000106212143 522599793 /nfs/dbraw/zinc/59/97/93/522599793.db2.gz BUXPTWCGURBUBR-YOEHRIQHSA-N 1 1 301.409 3.983 10 0 DHAEMO Cc1cc(C)cc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190485180 524383855 /nfs/dbraw/zinc/38/38/55/524383855.db2.gz LTYIILRMKLTJPC-HXUWFJFHSA-N 1 1 323.484 3.652 10 0 DHAEMO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(Cl)c(Cl)c1 ZINC000176687856 525680616 /nfs/dbraw/zinc/68/06/16/525680616.db2.gz SOKIMJKGTBOPGX-RNCFNFMXSA-N 1 1 311.216 3.771 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+](CCOc3ccccc3Cl)C2)c1 ZINC000106224910 526267559 /nfs/dbraw/zinc/26/75/59/526267559.db2.gz HTWFCTFHSLFNQC-HNNXBMFYSA-N 1 1 319.836 3.561 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cnc(CC(C)C)s1 ZINC000180133868 527450349 /nfs/dbraw/zinc/45/03/49/527450349.db2.gz OUBZGXJNPWCGBG-OAHLLOKOSA-N 1 1 318.490 3.511 10 0 DHAEMO Cc1cccc(C[N@@H+](Cc2ccsc2)C[C@H]2CCCO2)n1 ZINC000055368891 563474553 /nfs/dbraw/zinc/47/45/53/563474553.db2.gz BRVKUSBMNGXXHQ-QGZVFWFLSA-N 1 1 302.443 3.633 10 0 DHAEMO Cc1cccc(C[N@H+](Cc2ccsc2)C[C@H]2CCCO2)n1 ZINC000055368891 563474554 /nfs/dbraw/zinc/47/45/54/563474554.db2.gz BRVKUSBMNGXXHQ-QGZVFWFLSA-N 1 1 302.443 3.633 10 0 DHAEMO C[C@H]1CC=C(NC(=O)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000095347738 563528991 /nfs/dbraw/zinc/52/89/91/563528991.db2.gz RMTCVLGVWGLHPG-INIZCTEOSA-N 1 1 306.409 3.595 10 0 DHAEMO COc1ccccc1C[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)C(C)C ZINC000090528579 185300658 /nfs/dbraw/zinc/30/06/58/185300658.db2.gz XQIKTSPVQJJECT-RDTXWAMCSA-N 1 1 315.461 3.515 10 0 DHAEMO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)n[nH]1 ZINC000090531731 185300977 /nfs/dbraw/zinc/30/09/77/185300977.db2.gz LCELWLMLIASSFC-KBXCAEBGSA-N 1 1 313.445 3.769 10 0 DHAEMO CC/C(C)=C/CC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000091552015 193072659 /nfs/dbraw/zinc/07/26/59/193072659.db2.gz OZGBDNZMZZXOLL-JDDKIRPDSA-N 1 1 319.518 3.786 10 0 DHAEMO C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000091691358 193092883 /nfs/dbraw/zinc/09/28/83/193092883.db2.gz ISSWHZVIBCCHQF-MOPGFXCFSA-N 1 1 315.844 3.938 10 0 DHAEMO CCCC[N@H+](CC)[C@@H](CN)c1ccc(Br)s1 ZINC000019396233 182120707 /nfs/dbraw/zinc/12/07/07/182120707.db2.gz XBYWZZFQOIUBGA-JTQLQIEISA-N 1 1 305.285 3.632 10 0 DHAEMO CCCC[N@@H+](CC)[C@@H](CN)c1ccc(Br)s1 ZINC000019396233 182120710 /nfs/dbraw/zinc/12/07/10/182120710.db2.gz XBYWZZFQOIUBGA-JTQLQIEISA-N 1 1 305.285 3.632 10 0 DHAEMO CC[C@@H](NCC[NH+](CC)CC)c1ccc(Br)cc1 ZINC000019919504 182164399 /nfs/dbraw/zinc/16/43/99/182164399.db2.gz VYLJKPSQQDYRHO-OAHLLOKOSA-N 1 1 313.283 3.832 10 0 DHAEMO CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1Br)N(C)C ZINC000020145653 182191994 /nfs/dbraw/zinc/19/19/94/182191994.db2.gz GIOTWZRMDHGGQK-IUODEOHRSA-N 1 1 313.283 3.686 10 0 DHAEMO C[N@@H+]([C@@H](CN)c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000020081710 182185113 /nfs/dbraw/zinc/18/51/13/182185113.db2.gz KFLFKWVVXNXUOQ-HNNXBMFYSA-N 1 1 300.368 3.970 10 0 DHAEMO CN([C@@H](C[NH3+])c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000020081710 182185115 /nfs/dbraw/zinc/18/51/15/182185115.db2.gz KFLFKWVVXNXUOQ-HNNXBMFYSA-N 1 1 300.368 3.970 10 0 DHAEMO C[N@@H+]([C@@H](CN)c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000020081706 182185213 /nfs/dbraw/zinc/18/52/13/182185213.db2.gz QSLRZVKRLJJYQH-HNNXBMFYSA-N 1 1 300.368 3.970 10 0 DHAEMO CN([C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000020081706 182185214 /nfs/dbraw/zinc/18/52/14/182185214.db2.gz QSLRZVKRLJJYQH-HNNXBMFYSA-N 1 1 300.368 3.970 10 0 DHAEMO Fc1ccc([C@H](CCC[NH+]2CCNCC2)c2ccccc2)cc1 ZINC000022864177 182338258 /nfs/dbraw/zinc/33/82/58/182338258.db2.gz IVBRMABBDOJLRU-HXUWFJFHSA-N 1 1 312.432 3.643 10 0 DHAEMO Cc1ccccc1[C@H](C)[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000024518911 182382362 /nfs/dbraw/zinc/38/23/62/182382362.db2.gz RCDCAFXEQWTQEL-HNAYVOBHSA-N 1 1 308.425 3.666 10 0 DHAEMO CC(C)[N@@H+](CC1CC1)[C@H](CN)c1cccc(Br)c1 ZINC000042580337 183287176 /nfs/dbraw/zinc/28/71/76/183287176.db2.gz ZUUABJADFDQRNU-OAHLLOKOSA-N 1 1 311.267 3.569 10 0 DHAEMO CC(C)N(CC1CC1)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000042580337 183287178 /nfs/dbraw/zinc/28/71/78/183287178.db2.gz ZUUABJADFDQRNU-OAHLLOKOSA-N 1 1 311.267 3.569 10 0 DHAEMO C[C@@H](C[NH+]1CCCC1)N[C@@H](C)c1cccc(Br)c1 ZINC000042597301 183289453 /nfs/dbraw/zinc/28/94/53/183289453.db2.gz VNMNZPXISAUVLZ-STQMWFEESA-N 1 1 311.267 3.584 10 0 DHAEMO C[C@@H]([N@H+](C)[C@@H](CN)c1cc(Br)cs1)C(C)(C)C ZINC000042742043 183304740 /nfs/dbraw/zinc/30/47/40/183304740.db2.gz RIVCVJGHXWZIQJ-KOLCDFICSA-N 1 1 319.312 3.877 10 0 DHAEMO C[C@@H]([N@@H+](C)[C@@H](CN)c1cc(Br)cs1)C(C)(C)C ZINC000042742043 183304742 /nfs/dbraw/zinc/30/47/42/183304742.db2.gz RIVCVJGHXWZIQJ-KOLCDFICSA-N 1 1 319.312 3.877 10 0 DHAEMO CCCCC[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952960 183321603 /nfs/dbraw/zinc/32/16/03/183321603.db2.gz HKJRCEKGSWNLEL-IUODEOHRSA-N 1 1 313.283 3.959 10 0 DHAEMO CCCCC[N@@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952960 183321604 /nfs/dbraw/zinc/32/16/04/183321604.db2.gz HKJRCEKGSWNLEL-IUODEOHRSA-N 1 1 313.283 3.959 10 0 DHAEMO C[C@H](N)[C@@H](c1ccc(Br)cc1)[N@@H+](C)C1CCCC1 ZINC000042952830 183322203 /nfs/dbraw/zinc/32/22/03/183322203.db2.gz SFPGQYXLNNGVGD-NHYWBVRUSA-N 1 1 311.267 3.712 10 0 DHAEMO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)C1CCCC1 ZINC000042952830 183322205 /nfs/dbraw/zinc/32/22/05/183322205.db2.gz SFPGQYXLNNGVGD-NHYWBVRUSA-N 1 1 311.267 3.712 10 0 DHAEMO CCC[N@@H+](C(C)C)[C@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020355 183328786 /nfs/dbraw/zinc/32/87/86/183328786.db2.gz JIOCXQAEGUULMP-DOMZBBRYSA-N 1 1 313.283 3.958 10 0 DHAEMO CCCN(C(C)C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020355 183328790 /nfs/dbraw/zinc/32/87/90/183328790.db2.gz JIOCXQAEGUULMP-DOMZBBRYSA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000106217800 194191285 /nfs/dbraw/zinc/19/12/85/194191285.db2.gz MAZYLVOQYDBGGN-JKSUJKDBSA-N 1 1 304.825 3.720 10 0 DHAEMO CO[C@@H]1CC(=C(c2cccs2)c2cccs2)C[N@H+](C)C1 ZINC000059555681 184139578 /nfs/dbraw/zinc/13/95/78/184139578.db2.gz CDLDDIHSXRLVEM-CYBMUJFWSA-N 1 1 305.468 3.962 10 0 DHAEMO Cc1cc(-n2c(N)[nH+]c3cc(Br)ccc32)ccc1F ZINC000061119935 184162200 /nfs/dbraw/zinc/16/22/00/184162200.db2.gz PPTRTRKEBZIFGR-UHFFFAOYSA-N 1 1 320.165 3.818 10 0 DHAEMO C[N@@H+](CCNCc1c(Cl)ccc(Cl)c1Cl)C1CC1 ZINC000061994471 184200323 /nfs/dbraw/zinc/20/03/23/184200323.db2.gz PGCDPPGVCOUPHP-UHFFFAOYSA-N 1 1 307.652 3.831 10 0 DHAEMO Cn1cc([C@H]2CCC[N@H+]2[C@@H]2CCc3c2cccc3Cl)cn1 ZINC000152403441 335057494 /nfs/dbraw/zinc/05/74/94/335057494.db2.gz JCWZMUUPISLIQQ-IAGOWNOFSA-N 1 1 301.821 3.898 10 0 DHAEMO Cc1nc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccoc4)C[C@@H]3O2)sc1C ZINC000503719037 257208427 /nfs/dbraw/zinc/20/84/27/257208427.db2.gz KRWNDGNDVJNABQ-JYJNAYRXSA-N 1 1 318.442 3.705 10 0 DHAEMO Cc1nc([C@@H]2C[C@@H]3CC[N@@H+](Cc4ccoc4)C[C@@H]3O2)sc1C ZINC000503719037 257208429 /nfs/dbraw/zinc/20/84/29/257208429.db2.gz KRWNDGNDVJNABQ-JYJNAYRXSA-N 1 1 318.442 3.705 10 0 DHAEMO CN(C)[C@@H]1c2ccccc2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000503716543 257209733 /nfs/dbraw/zinc/20/97/33/257209733.db2.gz GVWQHTDXXGHFEL-HSALFYBXSA-N 1 1 310.416 3.658 10 0 DHAEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@H](c1ccccc1)c1ccccn1 ZINC000181002306 332172874 /nfs/dbraw/zinc/17/28/74/332172874.db2.gz KULAXVSIOUHAKM-TZIWHRDSSA-N 1 1 323.484 3.881 10 0 DHAEMO COCC[NH2+][C@H](c1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000053290398 333065553 /nfs/dbraw/zinc/06/55/53/333065553.db2.gz RHBXODWMQCSYHU-HNNXBMFYSA-N 1 1 304.459 3.766 10 0 DHAEMO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH2+]Cc2ccccc21 ZINC000062818525 333337439 /nfs/dbraw/zinc/33/74/39/333337439.db2.gz LFGMXGUUXWXNIV-UHFFFAOYSA-N 1 1 321.207 3.743 10 0 DHAEMO C[N@@H+](CCCCCc1cc(-c2ccccc2)no1)CC(C)(C)O ZINC000111214508 334307077 /nfs/dbraw/zinc/30/70/77/334307077.db2.gz VQNUXOIHWCRYHR-UHFFFAOYSA-N 1 1 316.445 3.757 10 0 DHAEMO C[C@@H]([NH2+]CCn1cccn1)c1c(Cl)ccc(F)c1Cl ZINC000049074852 334307530 /nfs/dbraw/zinc/30/75/30/334307530.db2.gz GEXNGGHFOSGHBK-SECBINFHSA-N 1 1 302.180 3.680 10 0 DHAEMO Clc1ccc2c(c1Cl)CC[C@H]2[NH2+][C@H]1CCCn2ncnc21 ZINC000164812858 334669110 /nfs/dbraw/zinc/66/91/10/334669110.db2.gz IVMBBAAWJACMGY-OLZOCXBDSA-N 1 1 323.227 3.697 10 0 DHAEMO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc(-c2ccncc2)c1 ZINC000164818091 334669531 /nfs/dbraw/zinc/66/95/31/334669531.db2.gz NOZLNXWGBPQNOF-KDOFPFPSSA-N 1 1 319.412 3.526 10 0 DHAEMO FC(F)(F)c1cccnc1NCCNc1[nH]c2ccccc2[nH+]1 ZINC000301885422 336336313 /nfs/dbraw/zinc/33/63/13/336336313.db2.gz OOCLCPNRLSVCFH-UHFFFAOYSA-N 1 1 321.306 3.501 10 0 DHAEMO CN(C)c1cc[nH+]c(N[C@H]2CCCOc3c(Cl)cccc32)n1 ZINC000302031129 336344163 /nfs/dbraw/zinc/34/41/63/336344163.db2.gz SCHHCNIFTAFEIH-ZDUSSCGKSA-N 1 1 318.808 3.522 10 0 DHAEMO CCOc1cccc(C[N@H+]2CCC[C@@H](n3ccnc3CC)C2)c1 ZINC000122831295 337026755 /nfs/dbraw/zinc/02/67/55/337026755.db2.gz ALYHGAPQXQYDOL-QGZVFWFLSA-N 1 1 313.445 3.681 10 0 DHAEMO CCOc1cccc(C[N@H+]2CCC[C@H](n3ccnc3CC)C2)c1 ZINC000122831553 337026764 /nfs/dbraw/zinc/02/67/64/337026764.db2.gz ALYHGAPQXQYDOL-KRWDZBQOSA-N 1 1 313.445 3.681 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000122903209 337030207 /nfs/dbraw/zinc/03/02/07/337030207.db2.gz IAVUTPGLOAFLKQ-ZMSDIMECSA-N 1 1 313.445 3.999 10 0 DHAEMO C[C@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CCS1 ZINC000171687039 337088663 /nfs/dbraw/zinc/08/86/63/337088663.db2.gz DNRHZSXXZFUOPG-AWEZNQCLSA-N 1 1 300.427 3.811 10 0 DHAEMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C12CCCC2 ZINC000172670159 337129437 /nfs/dbraw/zinc/12/94/37/337129437.db2.gz PSRAURWHLXTGIS-SJORKVTESA-N 1 1 305.466 3.634 10 0 DHAEMO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000172593752 337130289 /nfs/dbraw/zinc/13/02/89/337130289.db2.gz SMDGKEVODLTUJW-UONOGXRCSA-N 1 1 316.401 3.583 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@H+](Cc3ccccc3N(C)C)C2)n1 ZINC000173602598 337136719 /nfs/dbraw/zinc/13/67/19/337136719.db2.gz ZFLNSMGQPLSCHU-MRXNPFEDSA-N 1 1 315.486 3.897 10 0 DHAEMO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)c1nnc2n1CCCC2 ZINC000173628107 337137041 /nfs/dbraw/zinc/13/70/41/337137041.db2.gz SDBKHLZZWQBQTC-VXGBXAGGSA-N 1 1 304.825 3.680 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccccc1Cl ZINC000175148712 337144692 /nfs/dbraw/zinc/14/46/92/337144692.db2.gz HGHPPBXBUFPOOT-CYBMUJFWSA-N 1 1 318.808 3.541 10 0 DHAEMO Cc1csc([C@@H]2C[N@H+](CCCc3ccccc3C)CCO2)n1 ZINC000175902164 337148750 /nfs/dbraw/zinc/14/87/50/337148750.db2.gz PQOFNEDIBIDZAY-KRWDZBQOSA-N 1 1 316.470 3.766 10 0 DHAEMO Cc1csc([C@@H]2C[N@@H+](CCCc3ccccc3C)CCO2)n1 ZINC000175902164 337148751 /nfs/dbraw/zinc/14/87/51/337148751.db2.gz PQOFNEDIBIDZAY-KRWDZBQOSA-N 1 1 316.470 3.766 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCCCC(C)(C)C ZINC000176136795 337150505 /nfs/dbraw/zinc/15/05/05/337150505.db2.gz LILDANUSNUHITN-INIZCTEOSA-N 1 1 320.481 3.582 10 0 DHAEMO CCCC[C@@H](CCC)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000176420608 337151206 /nfs/dbraw/zinc/15/12/06/337151206.db2.gz RRSGYEPCPVGUNY-IAGOWNOFSA-N 1 1 320.481 3.724 10 0 DHAEMO CCc1cccc(CC)c1NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176264224 337151674 /nfs/dbraw/zinc/15/16/74/337151674.db2.gz CFHOUOAVWSWRTH-QGZVFWFLSA-N 1 1 317.477 3.759 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](C)CCC(C)(C)C ZINC000176264799 337151685 /nfs/dbraw/zinc/15/16/85/337151685.db2.gz HHZIYVZFIDQFQF-GDBMZVCRSA-N 1 1 320.481 3.580 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(SC(C)C)cc1 ZINC000177028593 337152854 /nfs/dbraw/zinc/15/28/54/337152854.db2.gz RNFFONCOMKJLQA-MRXNPFEDSA-N 1 1 320.502 3.743 10 0 DHAEMO C[C@@H]([NH2+][C@H]1CCCCc2ccccc21)c1nnc2n1CCCC2 ZINC000177461322 337156127 /nfs/dbraw/zinc/15/61/27/337156127.db2.gz BHMKCNFXGQYMGL-PBHICJAKSA-N 1 1 310.445 3.733 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000178321765 337163808 /nfs/dbraw/zinc/16/38/08/337163808.db2.gz XJUFGYHMZTURJP-MRXNPFEDSA-N 1 1 323.362 3.875 10 0 DHAEMO CCn1cc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)cn1 ZINC000178610980 337165410 /nfs/dbraw/zinc/16/54/10/337165410.db2.gz YFLSHHDMLCURCI-DNVCBOLYSA-N 1 1 306.413 3.738 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@@H+](CC(C)(C)c3ccccc3)C2)no1 ZINC000179999686 337173169 /nfs/dbraw/zinc/17/31/69/337173169.db2.gz YRQRFVORYHIRAJ-INIZCTEOSA-N 1 1 313.445 3.610 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C2(CC)CCCCC2)C1 ZINC000184118121 337196330 /nfs/dbraw/zinc/19/63/30/337196330.db2.gz GKNFRMJCDHUTGP-INIZCTEOSA-N 1 1 317.477 3.970 10 0 DHAEMO O[C@@H](C[N@H+]1CCC[C@@H]1c1ccco1)c1ccc(F)cc1Cl ZINC000187047522 337261319 /nfs/dbraw/zinc/26/13/19/337261319.db2.gz DJVXXPNHQLBAIT-CABCVRRESA-N 1 1 309.768 3.943 10 0 DHAEMO Cc1ccc2cc(C[NH+]3CCC(c4ccn[nH]4)CC3)ccc2n1 ZINC000187119174 337262789 /nfs/dbraw/zinc/26/27/89/337262789.db2.gz HLQFVIGEMBKSSQ-UHFFFAOYSA-N 1 1 306.413 3.646 10 0 DHAEMO CC(C)N(N)CC[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584637528 337379540 /nfs/dbraw/zinc/37/95/40/337379540.db2.gz XGVRBNVHVRLOTI-GFCCVEGCSA-N 1 1 306.841 3.663 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC000109676227 337388489 /nfs/dbraw/zinc/38/84/89/337388489.db2.gz BGKCLWINLQQPMU-JKSUJKDBSA-N 1 1 305.466 3.681 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC000109676225 337388529 /nfs/dbraw/zinc/38/85/29/337388529.db2.gz BGKCLWINLQQPMU-CVEARBPZSA-N 1 1 305.466 3.681 10 0 DHAEMO CCCc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000130936309 337435332 /nfs/dbraw/zinc/43/53/32/337435332.db2.gz MRIMTPRUEFZFRA-GJZGRUSLSA-N 1 1 312.461 3.979 10 0 DHAEMO C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000173387860 340363900 /nfs/dbraw/zinc/36/39/00/340363900.db2.gz QVWWSIXJBVJITD-WWGRRREGSA-N 1 1 323.868 3.525 10 0 DHAEMO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000193647986 340580811 /nfs/dbraw/zinc/58/08/11/340580811.db2.gz CKJJWHMYTRZQPG-STQMWFEESA-N 1 1 318.442 3.988 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(C)c(C)c2)o1 ZINC000193647382 340580895 /nfs/dbraw/zinc/58/08/95/340580895.db2.gz MAECIYRJHHZTBU-CVEARBPZSA-N 1 1 314.429 3.733 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000133443083 341175360 /nfs/dbraw/zinc/17/53/60/341175360.db2.gz KEVINZUPJCNVLL-PKOBYXMFSA-N 1 1 313.420 3.873 10 0 DHAEMO CC(C)(C)OC[C@@H](O)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000079905193 341267441 /nfs/dbraw/zinc/26/74/41/341267441.db2.gz GNGUXNOJTAEYFO-ZWKOTPCHSA-N 1 1 305.462 3.780 10 0 DHAEMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCS[C@H](C)C1 ZINC000245494575 341297291 /nfs/dbraw/zinc/29/72/91/341297291.db2.gz NSQDMMHKZFTIPQ-GHMZBOCLSA-N 1 1 323.849 3.888 10 0 DHAEMO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCS[C@H](C)C1 ZINC000245494575 341297292 /nfs/dbraw/zinc/29/72/92/341297292.db2.gz NSQDMMHKZFTIPQ-GHMZBOCLSA-N 1 1 323.849 3.888 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@H](C)c3cc(F)ccc3F)C2)no1 ZINC000245866530 341316691 /nfs/dbraw/zinc/31/66/91/341316691.db2.gz UMIODEVFVXXENX-YPMHNXCESA-N 1 1 321.371 3.672 10 0 DHAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000245921161 341318356 /nfs/dbraw/zinc/31/83/56/341318356.db2.gz MFARAZIDHHFDAK-FFZOFVMBSA-N 1 1 322.452 3.544 10 0 DHAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C)c1Cl ZINC000246126539 341327997 /nfs/dbraw/zinc/32/79/97/341327997.db2.gz PUSRHYFTKGTFPO-KGLIPLIRSA-N 1 1 321.852 3.739 10 0 DHAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC/C=C/c1ccccc1 ZINC000246940273 341358858 /nfs/dbraw/zinc/35/88/58/341358858.db2.gz KQJDIYQLWZEVCI-KNXUDURGSA-N 1 1 312.457 3.565 10 0 DHAEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000248624856 341381850 /nfs/dbraw/zinc/38/18/50/341381850.db2.gz YSFMATQWKWDWHH-NXOAAHMSSA-N 1 1 306.494 3.534 10 0 DHAEMO CC(C)(C)OC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000248854289 341388644 /nfs/dbraw/zinc/38/86/44/341388644.db2.gz KUWQOBOBKYLMSP-HOTGVXAUSA-N 1 1 311.853 3.653 10 0 DHAEMO CCCC1CCC(C[N@H+]2C[C@H](OC)C[C@H]2c2nc(C)no2)CC1 ZINC000248959109 341390762 /nfs/dbraw/zinc/39/07/62/341390762.db2.gz MCQQQWBFPPQBLT-BACDZXNISA-N 1 1 321.465 3.746 10 0 DHAEMO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000182854661 519544054 /nfs/dbraw/zinc/54/40/54/519544054.db2.gz XOFMBZBBOORFAP-HNNXBMFYSA-N 1 1 300.450 3.908 10 0 DHAEMO CC(C)[N@H+]1C[C@H](N[C@@H](C)c2cnc3ccsc3c2)[C@@H](C)C1 ZINC000181282719 519697995 /nfs/dbraw/zinc/69/79/95/519697995.db2.gz OEIAXAYKLGIEPO-XEZPLFJOSA-N 1 1 303.475 3.676 10 0 DHAEMO CC(C)[N@@H+]1C[C@H](N[C@@H](C)c2cnc3ccsc3c2)[C@@H](C)C1 ZINC000181282719 519697998 /nfs/dbraw/zinc/69/79/98/519697998.db2.gz OEIAXAYKLGIEPO-XEZPLFJOSA-N 1 1 303.475 3.676 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000106217671 522593283 /nfs/dbraw/zinc/59/32/83/522593283.db2.gz SJXSJQWQDXMXMF-OAHLLOKOSA-N 1 1 303.837 3.936 10 0 DHAEMO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CCCCC1)c1cccs1 ZINC000189738835 525624408 /nfs/dbraw/zinc/62/44/08/525624408.db2.gz NEJAKKXKGHHORN-NEPJUHHUSA-N 1 1 305.451 3.652 10 0 DHAEMO C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171404 526064319 /nfs/dbraw/zinc/06/43/19/526064319.db2.gz CCYCWFYWAUFUNW-IRXDYDNUSA-N 1 1 320.440 3.905 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000106224813 526267740 /nfs/dbraw/zinc/26/77/40/526267740.db2.gz YEMRGKIRPFLBFA-HNNXBMFYSA-N 1 1 307.800 3.821 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000106224813 526267744 /nfs/dbraw/zinc/26/77/44/526267744.db2.gz YEMRGKIRPFLBFA-HNNXBMFYSA-N 1 1 307.800 3.821 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3c(F)cccc3Cl)C2)c1 ZINC000106225672 526267891 /nfs/dbraw/zinc/26/78/91/526267891.db2.gz JHASPMNXJYEXTP-ZDUSSCGKSA-N 1 1 307.800 3.821 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3c(F)cccc3Cl)C2)c1 ZINC000106225672 526267894 /nfs/dbraw/zinc/26/78/94/526267894.db2.gz JHASPMNXJYEXTP-ZDUSSCGKSA-N 1 1 307.800 3.821 10 0 DHAEMO Cc1csc([C@@H]2C[N@H+](C[C@@H](C)Cc3ccccc3)CCO2)n1 ZINC000182036003 526423179 /nfs/dbraw/zinc/42/31/79/526423179.db2.gz KKCOZYYDUDUJME-YOEHRIQHSA-N 1 1 316.470 3.704 10 0 DHAEMO Cc1csc([C@@H]2C[N@@H+](C[C@@H](C)Cc3ccccc3)CCO2)n1 ZINC000182036003 526423191 /nfs/dbraw/zinc/42/31/91/526423191.db2.gz KKCOZYYDUDUJME-YOEHRIQHSA-N 1 1 316.470 3.704 10 0 DHAEMO Cn1nccc1C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000188988738 527599103 /nfs/dbraw/zinc/59/91/03/527599103.db2.gz SQRURXVCWTYDOA-UHFFFAOYSA-N 1 1 307.800 3.592 10 0 DHAEMO Brc1sccc1[C@@H]1[NH2+]CCc2sccc21 ZINC000707028101 568414350 /nfs/dbraw/zinc/41/43/50/568414350.db2.gz NBNRJPRZIPMYTH-SNVBAGLBSA-N 1 1 300.246 3.807 10 0 DHAEMO C[C@@H]1CC(NC(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000034725280 563451107 /nfs/dbraw/zinc/45/11/07/563451107.db2.gz YZUWHSJNFAERJI-FKEKPDDDSA-N 1 1 318.461 3.953 10 0 DHAEMO Brc1csc(C[NH2+]Cc2nc3ccccc3[nH]2)c1 ZINC000048435812 563466629 /nfs/dbraw/zinc/46/66/29/563466629.db2.gz DEPUOQYHLHRKHG-UHFFFAOYSA-N 1 1 322.231 3.677 10 0 DHAEMO Cc1cccc(C[N@H+](Cc2ccsc2)C[C@@H]2CCCO2)n1 ZINC000055368889 563474639 /nfs/dbraw/zinc/47/46/39/563474639.db2.gz BRVKUSBMNGXXHQ-KRWDZBQOSA-N 1 1 302.443 3.633 10 0 DHAEMO Cc1cccc(C[N@@H+](Cc2ccsc2)C[C@@H]2CCCO2)n1 ZINC000055368889 563474637 /nfs/dbraw/zinc/47/46/37/563474637.db2.gz BRVKUSBMNGXXHQ-KRWDZBQOSA-N 1 1 302.443 3.633 10 0 DHAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)C[C@@H]1NC(=O)OC(C)(C)C ZINC000068592703 563495104 /nfs/dbraw/zinc/49/51/04/563495104.db2.gz PQHYEHZEEAWEJB-INMHGKMJSA-N 1 1 318.461 3.810 10 0 DHAEMO CC[NH+](CC)C[C@@H](C)n1c(N)nc2cc(Cl)c(Cl)cc21 ZINC000095025915 563618842 /nfs/dbraw/zinc/61/88/42/563618842.db2.gz VIYJYHKDYBHISU-SECBINFHSA-N 1 1 315.248 3.828 10 0 DHAEMO CCC(=O)N(C[C@H](C)[N@@H+](C)CCc1ccccc1)c1ccccc1 ZINC000001850017 563797097 /nfs/dbraw/zinc/79/70/97/563797097.db2.gz RXTHKWVSXOIHJS-SFHVURJKSA-N 1 1 324.468 3.993 10 0 in-man DHAEMO Cc1cc(C[N@H+](C)C(C)C)c(C)cc1I ZINC000675075695 563911041 /nfs/dbraw/zinc/91/10/41/563911041.db2.gz UKJGVNLVADMRPF-UHFFFAOYSA-N 1 1 317.214 3.748 10 0 DHAEMO C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000101417612 563924181 /nfs/dbraw/zinc/92/41/81/563924181.db2.gz MIYNQZRSMKSJTR-ZMSDIMECSA-N 1 1 318.461 3.810 10 0 DHAEMO C[C@@H]1CCC[N@H+]([C@@]2(C)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685952264 568422167 /nfs/dbraw/zinc/42/21/67/568422167.db2.gz CJFHCYHXSQYCTB-QAPCUYQASA-N 1 1 310.482 3.898 10 0 DHAEMO Cc1cc(C[C@@H](C)[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)n[nH]1 ZINC000090532845 1032406262 /nfs/dbraw/zinc/40/62/62/1032406262.db2.gz YUMMKPRDRIXVAD-BZNIZROVSA-N 1 1 317.408 3.680 10 0 DHAEMO Brc1cc(C[NH2+][C@H]2COc3ccccc32)cs1 ZINC000070070186 1030555430 /nfs/dbraw/zinc/55/54/30/1030555430.db2.gz GQLQGFXJAJVXCB-NSHDSACASA-N 1 1 310.216 3.734 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000090223320 185287327 /nfs/dbraw/zinc/28/73/27/185287327.db2.gz UCDQYTZAQZHUAL-KSSFIOAISA-N 1 1 312.461 3.971 10 0 DHAEMO CCC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccc(OC)cc1 ZINC000090225564 185287522 /nfs/dbraw/zinc/28/75/22/185287522.db2.gz FMXNZVFOLQKACM-IRXDYDNUSA-N 1 1 314.433 3.561 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000090225335 185287701 /nfs/dbraw/zinc/28/77/01/185287701.db2.gz GLMQUNSDLKNYOW-MFKMUULPSA-N 1 1 319.478 3.661 10 0 DHAEMO CCCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC(C)C)C[C@@H]1C ZINC000073654297 191336740 /nfs/dbraw/zinc/33/67/40/191336740.db2.gz KJJWJAXSBXZGCI-JKSUJKDBSA-N 1 1 312.498 4.000 10 0 DHAEMO Cc1ccc2cc(CN[C@@H](C[NH+](C)C)c3ccccc3)ccc2n1 ZINC000187635859 200137269 /nfs/dbraw/zinc/13/72/69/200137269.db2.gz RMKUSSLNBOOAMC-NRFANRHFSA-N 1 1 319.452 3.936 10 0 DHAEMO Cc1ncsc1C[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000092973612 193190841 /nfs/dbraw/zinc/19/08/41/193190841.db2.gz VPCOLBLLQWIWJG-HNNXBMFYSA-N 1 1 302.443 3.804 10 0 DHAEMO Cc1ncsc1C[N@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000092973612 193190842 /nfs/dbraw/zinc/19/08/42/193190842.db2.gz VPCOLBLLQWIWJG-HNNXBMFYSA-N 1 1 302.443 3.804 10 0 DHAEMO C[C@H](Cc1ccccc1)[NH+]1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000022042561 182306160 /nfs/dbraw/zinc/30/61/60/182306160.db2.gz VIYHGODXJCNFCQ-BGYRXZFFSA-N 1 1 322.496 3.866 10 0 investigational DHAEMO CCCCNc1[nH+]cnc(NC23CC4CC(CC(C4)C2)C3)c1N ZINC000040706491 183121090 /nfs/dbraw/zinc/12/10/90/183121090.db2.gz CZHFJQUBAQGHAH-UHFFFAOYSA-N 1 1 315.465 3.652 10 0 DHAEMO CCCCNc1nc[nH+]c(NC23CC4CC(CC(C4)C2)C3)c1N ZINC000040706491 183121094 /nfs/dbraw/zinc/12/10/94/183121094.db2.gz CZHFJQUBAQGHAH-UHFFFAOYSA-N 1 1 315.465 3.652 10 0 DHAEMO CCCO[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000042424667 183268786 /nfs/dbraw/zinc/26/87/86/183268786.db2.gz UYSZBURFSWJHEL-OAHLLOKOSA-N 1 1 312.251 3.840 10 0 DHAEMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000042424667 183268788 /nfs/dbraw/zinc/26/87/88/183268788.db2.gz UYSZBURFSWJHEL-OAHLLOKOSA-N 1 1 312.251 3.840 10 0 DHAEMO C[C@H](C[NH+]1CCCC1)N[C@H](C)c1sccc1Br ZINC000042598358 183289707 /nfs/dbraw/zinc/28/97/07/183289707.db2.gz PWFUXCCVSTWRFQ-GHMZBOCLSA-N 1 1 317.296 3.646 10 0 DHAEMO CC[C@@H](N)[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)C ZINC000042952914 183321773 /nfs/dbraw/zinc/32/17/73/183321773.db2.gz ZIXNJFVLRGFAKE-HUUCEWRRSA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CC(C)C ZINC000042952914 183321775 /nfs/dbraw/zinc/32/17/75/183321775.db2.gz ZIXNJFVLRGFAKE-HUUCEWRRSA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@@H](N)[C@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)C ZINC000042952918 183321981 /nfs/dbraw/zinc/32/19/81/183321981.db2.gz ZIXNJFVLRGFAKE-CABCVRRESA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)CC(C)C ZINC000042952918 183321983 /nfs/dbraw/zinc/32/19/83/183321983.db2.gz ZIXNJFVLRGFAKE-CABCVRRESA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@H](N)[C@H](c1ccc(Br)cc1)[N@@H+](CC)C(C)C ZINC000042952818 183322367 /nfs/dbraw/zinc/32/23/67/183322367.db2.gz PKPDXXYATVWTEE-GJZGRUSLSA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(CC)C(C)C ZINC000042952818 183322370 /nfs/dbraw/zinc/32/23/70/183322370.db2.gz PKPDXXYATVWTEE-GJZGRUSLSA-N 1 1 313.283 3.958 10 0 DHAEMO CCC[N@H+]([C@H](c1cccc(Br)c1)[C@@H](C)N)C1CC1 ZINC000043020361 183328530 /nfs/dbraw/zinc/32/85/30/183328530.db2.gz KSAYXUPJZIEVLU-ABAIWWIYSA-N 1 1 311.267 3.712 10 0 DHAEMO CCC[N@@H+]([C@H](c1cccc(Br)c1)[C@@H](C)N)C1CC1 ZINC000043020361 183328531 /nfs/dbraw/zinc/32/85/31/183328531.db2.gz KSAYXUPJZIEVLU-ABAIWWIYSA-N 1 1 311.267 3.712 10 0 DHAEMO CCn1cnnc1C1CC[NH+]([C@@H](C)c2c(F)cccc2F)CC1 ZINC000105930084 194172464 /nfs/dbraw/zinc/17/24/64/194172464.db2.gz MMYZZFRLZIBYDW-LBPRGKRZSA-N 1 1 320.387 3.517 10 0 DHAEMO CO[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C[C@H]1Cc1ccccc1 ZINC000247970906 257112989 /nfs/dbraw/zinc/11/29/89/257112989.db2.gz SFKXYWNJFIHWDZ-IAGOWNOFSA-N 1 1 316.470 3.531 10 0 DHAEMO CO[C@H]1CC[N@@H+](Cc2nccs2)C[C@H]1Cc1cccc(C)c1 ZINC000247882423 257115153 /nfs/dbraw/zinc/11/51/53/257115153.db2.gz RKZLCRJSTNEONC-SJORKVTESA-N 1 1 316.470 3.531 10 0 DHAEMO C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000120428614 132142087 /nfs/dbraw/zinc/14/20/87/132142087.db2.gz BOSUYKPELBRRED-FZKQIMNGSA-N 1 1 304.384 3.918 10 0 DHAEMO COc1ccc([C@@H](C)[NH2+]Cc2ccncc2Cl)cc1OC ZINC000088781235 331816479 /nfs/dbraw/zinc/81/64/79/331816479.db2.gz WAOQNQCDAWNNHC-LLVKDONJSA-N 1 1 306.793 3.603 10 0 DHAEMO COC(=O)c1ccc(F)c(C[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000182104591 333149558 /nfs/dbraw/zinc/14/95/58/333149558.db2.gz BMMUCIJPGZBKTI-SNVBAGLBSA-N 1 1 323.314 3.741 10 0 DHAEMO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc(-c2ccncc2)c1 ZINC000164817981 334669520 /nfs/dbraw/zinc/66/95/20/334669520.db2.gz NOZLNXWGBPQNOF-KSSFIOAISA-N 1 1 319.412 3.526 10 0 DHAEMO O[C@@]12CCCC[C@@H]1C[N@@H+](CCSCc1ccccc1)CC2 ZINC000192624918 336199645 /nfs/dbraw/zinc/19/96/45/336199645.db2.gz OBVKPLSFZNJSFB-QZTJIDSGSA-N 1 1 305.487 3.547 10 0 DHAEMO Cc1cncc(-c2nc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)no2)c1 ZINC000333560373 336205499 /nfs/dbraw/zinc/20/54/99/336205499.db2.gz NZTWNJJKTCXODM-ZBFHGGJFSA-N 1 1 312.417 3.595 10 0 DHAEMO O[C@H]1CCC[C@H](Nc2cc[nH+]c3c(Br)cccc23)C1 ZINC000301148672 336292151 /nfs/dbraw/zinc/29/21/51/336292151.db2.gz CALGAMQHRTXHGS-QWRGUYRKSA-N 1 1 321.218 3.713 10 0 DHAEMO CCC[N@H+]1CCCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000301607823 336317906 /nfs/dbraw/zinc/31/79/06/336317906.db2.gz OCMHSYDFSHJQCG-UHFFFAOYSA-N 1 1 301.459 3.732 10 0 DHAEMO CCOC(=O)[C@@]1(C)CCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000301799889 336330681 /nfs/dbraw/zinc/33/06/81/336330681.db2.gz ZZYDEBUAFHMREB-KRWDZBQOSA-N 1 1 318.804 3.668 10 0 DHAEMO Cc1cccc2c(N3CCC([N@H+]4CCC[C@@H]4C)CC3)ccnc12 ZINC000301803045 336331189 /nfs/dbraw/zinc/33/11/89/336331189.db2.gz WTTFKPWBHJZWTK-INIZCTEOSA-N 1 1 309.457 3.996 10 0 DHAEMO Cc1cccc2c(N3CCC([N@@H+]4CCC[C@@H]4C)CC3)ccnc12 ZINC000301803045 336331190 /nfs/dbraw/zinc/33/11/90/336331190.db2.gz WTTFKPWBHJZWTK-INIZCTEOSA-N 1 1 309.457 3.996 10 0 DHAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ncnc2ccc(F)cc21 ZINC000302002567 336342493 /nfs/dbraw/zinc/34/24/93/336342493.db2.gz JNMCTPHSMADBOY-AWEZNQCLSA-N 1 1 324.403 3.701 10 0 DHAEMO CCc1cc(N2CCC(Nc3ccccc3F)CC2)nc(C)[nH+]1 ZINC000302055294 336345966 /nfs/dbraw/zinc/34/59/66/336345966.db2.gz ABOBNSMKJCHDAK-UHFFFAOYSA-N 1 1 314.408 3.567 10 0 DHAEMO COc1c(C)cc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1C ZINC000123012438 337033988 /nfs/dbraw/zinc/03/39/88/337033988.db2.gz UWMLQMXLNLZOGL-GOSISDBHSA-N 1 1 313.445 3.654 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@H+](CC[C@@H](C)c3ccccc3)C2)no1 ZINC000193856949 337079747 /nfs/dbraw/zinc/07/97/47/337079747.db2.gz PIMJUPHOARZAMK-WBVHZDCISA-N 1 1 313.445 3.826 10 0 DHAEMO C[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CCS1 ZINC000171688203 337088570 /nfs/dbraw/zinc/08/85/70/337088570.db2.gz QQNRJSWKZYCMKK-LLVKDONJSA-N 1 1 305.365 3.565 10 0 DHAEMO O=C(CC[N@H+]1CCC[C@@H]1c1ccco1)Nc1ccccc1F ZINC000172026489 337091000 /nfs/dbraw/zinc/09/10/00/337091000.db2.gz DFBAXLBQBBJXPC-OAHLLOKOSA-N 1 1 302.349 3.584 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)c(F)c2)o1 ZINC000172593989 337130147 /nfs/dbraw/zinc/13/01/47/337130147.db2.gz JTBRKYHTKMWNKD-QWHCGFSZSA-N 1 1 304.365 3.713 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(Cl)cc2)o1 ZINC000172879898 337131728 /nfs/dbraw/zinc/13/17/28/337131728.db2.gz BXELQDUPHNHXFC-OLZOCXBDSA-N 1 1 320.820 3.597 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C2CCCCCCC2)C1 ZINC000172907287 337132338 /nfs/dbraw/zinc/13/23/38/337132338.db2.gz HMXQNOBBGKXPNB-KRWDZBQOSA-N 1 1 317.477 3.970 10 0 DHAEMO CN(C)c1ccccc1C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000173602089 337136739 /nfs/dbraw/zinc/13/67/39/337136739.db2.gz NVYCGXQQNYPXJM-INIZCTEOSA-N 1 1 301.459 3.936 10 0 DHAEMO CN(C)c1ccccc1C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000173602089 337136740 /nfs/dbraw/zinc/13/67/40/337136740.db2.gz NVYCGXQQNYPXJM-INIZCTEOSA-N 1 1 301.459 3.936 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCCC1CCCCC1 ZINC000177190988 337154746 /nfs/dbraw/zinc/15/47/46/337154746.db2.gz NGODJBYBGCJTQS-GOSISDBHSA-N 1 1 317.477 3.933 10 0 DHAEMO C[C@@H]([NH2+][C@@H]1CCCCc2ccccc21)c1nnc2n1CCCC2 ZINC000177461291 337156144 /nfs/dbraw/zinc/15/61/44/337156144.db2.gz BHMKCNFXGQYMGL-RHSMWYFYSA-N 1 1 310.445 3.733 10 0 DHAEMO CCC[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000177336594 337156971 /nfs/dbraw/zinc/15/69/71/337156971.db2.gz MLDQRNXJLVZUGC-ROUUACIJSA-N 1 1 317.477 3.654 10 0 DHAEMO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000178614943 337165599 /nfs/dbraw/zinc/16/55/99/337165599.db2.gz JQXWIVVFWOXUDV-AZUAARDMSA-N 1 1 318.424 3.572 10 0 DHAEMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000179530489 337170161 /nfs/dbraw/zinc/17/01/61/337170161.db2.gz ZIAJKOCBYLYJOJ-GRFAERAESA-N 1 1 324.472 3.710 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@H+](Cc3cnn(C(C)C)c3)C2)n1 ZINC000179826831 337172003 /nfs/dbraw/zinc/17/20/03/337172003.db2.gz UOTIRQUIODHRSG-OAHLLOKOSA-N 1 1 304.463 3.609 10 0 DHAEMO c1cc(C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)[nH]n1 ZINC000191303857 337295829 /nfs/dbraw/zinc/29/58/29/337295829.db2.gz PIKQDQUIEBTIEJ-UHFFFAOYSA-N 1 1 311.429 3.578 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCC2=CCCCC2)o1 ZINC000193113920 337308377 /nfs/dbraw/zinc/30/83/77/337308377.db2.gz DRPQQZXZJMJSSD-GJZGRUSLSA-N 1 1 304.434 3.634 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCOc1cccc(C)c1 ZINC000106210951 337387119 /nfs/dbraw/zinc/38/71/19/337387119.db2.gz XHVJHJDYQAEUDQ-GOSISDBHSA-N 1 1 313.445 3.561 10 0 DHAEMO Brc1ccc(C[NH2+][C@H]2COc3ccccc32)s1 ZINC000070070200 337546232 /nfs/dbraw/zinc/54/62/32/337546232.db2.gz KSACONNGBAYYEE-NSHDSACASA-N 1 1 310.216 3.734 10 0 DHAEMO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1c(Cl)ccc(F)c1Cl ZINC000151229537 338162414 /nfs/dbraw/zinc/16/24/14/338162414.db2.gz NRJQSRMZDDUYGQ-SVGQVSJJSA-N 1 1 320.113 3.706 10 0 DHAEMO Clc1ccc(CN2CC[N@H+]3CCCC[C@@H]3C2)c2ncccc12 ZINC000172801528 340342379 /nfs/dbraw/zinc/34/23/79/340342379.db2.gz SMOCTIPBMODWTJ-OAHLLOKOSA-N 1 1 315.848 3.558 10 0 DHAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000245934874 341318869 /nfs/dbraw/zinc/31/88/69/341318869.db2.gz VLBHYSQDFDNVKT-MOPGFXCFSA-N 1 1 324.424 3.645 10 0 DHAEMO Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCS[C@@H](C)C3)n2)cc1F ZINC000246144164 341329222 /nfs/dbraw/zinc/32/92/22/341329222.db2.gz OIXIEVWFTROKCB-NWDGAFQWSA-N 1 1 321.421 3.682 10 0 DHAEMO Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCS[C@@H](C)C3)n2)cc1F ZINC000246144164 341329223 /nfs/dbraw/zinc/32/92/23/341329223.db2.gz OIXIEVWFTROKCB-NWDGAFQWSA-N 1 1 321.421 3.682 10 0 DHAEMO CC[N@H+]1CCC[C@@H](NC(=O)N(C)[C@H](c2ccccc2)C(C)C)C1 ZINC000247109805 341361120 /nfs/dbraw/zinc/36/11/20/341361120.db2.gz VNQXZNBHCYAPJV-MSOLQXFVSA-N 1 1 317.477 3.509 10 0 DHAEMO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247744300 341369971 /nfs/dbraw/zinc/36/99/71/341369971.db2.gz OCCXQPWUFBARMU-CRAIPNDOSA-N 1 1 312.461 3.974 10 0 DHAEMO C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccn1 ZINC000248405160 341376733 /nfs/dbraw/zinc/37/67/33/341376733.db2.gz ANGFFOZOGBDJOQ-HKJQZYRSSA-N 1 1 321.468 3.643 10 0 DHAEMO C[C@H](C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)c1ccccc1 ZINC000249058367 341392770 /nfs/dbraw/zinc/39/27/70/341392770.db2.gz ZHCZLXQYTSPVQZ-QUCCMNQESA-N 1 1 323.484 3.639 10 0 DHAEMO C[C@@H](C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)c1ccccc1 ZINC000249058365 341392830 /nfs/dbraw/zinc/39/28/30/341392830.db2.gz ZHCZLXQYTSPVQZ-ICSRJNTNSA-N 1 1 323.484 3.639 10 0 DHAEMO CCc1nc(C)c([C@@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)s1 ZINC000163800766 522223032 /nfs/dbraw/zinc/22/30/32/522223032.db2.gz GDWZCSZWUMTCLM-CJNGLKHVSA-N 1 1 317.502 3.967 10 0 DHAEMO CCc1nnc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)n1C ZINC000180015077 522747186 /nfs/dbraw/zinc/74/71/86/522747186.db2.gz VIGMIBWPHDYQPV-PZSREKOKSA-N 1 1 318.852 3.518 10 0 DHAEMO Cc1cc(C[NH2+]C2c3ccccc3CCc3ccccc32)on1 ZINC000180458313 524753244 /nfs/dbraw/zinc/75/32/44/524753244.db2.gz LSDLAKKQZXMSKI-UHFFFAOYSA-N 1 1 304.393 3.961 10 0 DHAEMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1NC(C)=O ZINC000158163950 525162610 /nfs/dbraw/zinc/16/26/10/525162610.db2.gz WMDKOIJUKXEJOF-CHWSQXEVSA-N 1 1 316.401 3.967 10 0 DHAEMO COc1ccc2cc(C[N@H+]3CC[C@@H](c4cnn(C)c4)C3)ccc2c1 ZINC000128379674 525628249 /nfs/dbraw/zinc/62/82/49/525628249.db2.gz CQHDPQCXUQXZDD-GOSISDBHSA-N 1 1 321.424 3.571 10 0 DHAEMO COc1ccc2cc(C[N@H+]3CC[C@H](c4cnn(C)c4)C3)ccc2c1 ZINC000128379894 525628267 /nfs/dbraw/zinc/62/82/67/525628267.db2.gz CQHDPQCXUQXZDD-SFHVURJKSA-N 1 1 321.424 3.571 10 0 DHAEMO Cc1ccc([C@H](C)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000158097738 525934722 /nfs/dbraw/zinc/93/47/22/525934722.db2.gz QILXDRXSJNNHJT-HOTGVXAUSA-N 1 1 316.445 3.940 10 0 DHAEMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(C(N)=O)cs1 ZINC000130839211 526044304 /nfs/dbraw/zinc/04/43/04/526044304.db2.gz GFNDUVDLMUDUGG-JTQLQIEISA-N 1 1 308.834 3.693 10 0 DHAEMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C(N)=O)cs1 ZINC000130839211 526044314 /nfs/dbraw/zinc/04/43/14/526044314.db2.gz GFNDUVDLMUDUGG-JTQLQIEISA-N 1 1 308.834 3.693 10 0 DHAEMO c1coc([C@H]2CCC[N@@H+]2CCc2nc(-c3ccccc3)no2)c1 ZINC000158411177 526571618 /nfs/dbraw/zinc/57/16/18/526571618.db2.gz JIBLJOLDUXPOHB-OAHLLOKOSA-N 1 1 309.369 3.709 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000180132870 527440538 /nfs/dbraw/zinc/44/05/38/527440538.db2.gz HZRXTTPPRVZMIC-AWEZNQCLSA-N 1 1 307.800 3.649 10 0 DHAEMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000180240445 527663093 /nfs/dbraw/zinc/66/30/93/527663093.db2.gz VUJQZKAQYWXFHA-QUCCMNQESA-N 1 1 321.424 3.651 10 0 DHAEMO Brc1sccc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712526125 563321253 /nfs/dbraw/zinc/32/12/53/563321253.db2.gz BLGNRDBIUULEIY-VIFPVBQESA-N 1 1 300.246 3.807 10 0 DHAEMO C[C@@H]1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000068593007 563495843 /nfs/dbraw/zinc/49/58/43/563495843.db2.gz UCWSKARTULHLTN-UXLLHSPISA-N 1 1 318.461 3.810 10 0 DHAEMO CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn(C(C)(C)C)c2ccccc12 ZINC000085345425 563520440 /nfs/dbraw/zinc/52/04/40/563520440.db2.gz IEHDUIWFVDMTSJ-HNNXBMFYSA-N 1 1 316.445 3.608 10 0 DHAEMO Brc1ccsc1[C@H]1[NH2+]CCc2sccc21 ZINC000397207397 568415022 /nfs/dbraw/zinc/41/50/22/568415022.db2.gz UZFCZRBXEFNXKR-JTQLQIEISA-N 1 1 300.246 3.807 10 0 DHAEMO COc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3c(C)noc3C)C2)cc1 ZINC000076389826 1030789418 /nfs/dbraw/zinc/78/94/18/1030789418.db2.gz JBMRJJWTICQJNE-LRDDRELGSA-N 1 1 300.402 3.678 10 0 DHAEMO CSc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C)nc32)cc1F ZINC000090225296 185287695 /nfs/dbraw/zinc/28/76/95/185287695.db2.gz CGSWBOFBNPCJNQ-QMTHXVAHSA-N 1 1 320.437 3.633 10 0 DHAEMO CSc1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C)nc32)cc1F ZINC000090225291 185287815 /nfs/dbraw/zinc/28/78/15/185287815.db2.gz CGSWBOFBNPCJNQ-HZMBPMFUSA-N 1 1 320.437 3.633 10 0 DHAEMO Cc1cc(C[C@@H](C)[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)n[nH]1 ZINC000090531737 185301172 /nfs/dbraw/zinc/30/11/72/185301172.db2.gz LCELWLMLIASSFC-KDOFPFPSSA-N 1 1 313.445 3.769 10 0 DHAEMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1C ZINC000092812175 185343166 /nfs/dbraw/zinc/34/31/66/185343166.db2.gz NBOJOXBDOAFQOE-GOSISDBHSA-N 1 1 324.472 3.958 10 0 DHAEMO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1C ZINC000092812175 185343167 /nfs/dbraw/zinc/34/31/67/185343167.db2.gz NBOJOXBDOAFQOE-GOSISDBHSA-N 1 1 324.472 3.958 10 0 DHAEMO Cc1ccc2c(c1)[C@H]([NH3+])C(=O)N2Cc1ccc(Cl)c(Cl)c1 ZINC000139538530 186023091 /nfs/dbraw/zinc/02/30/91/186023091.db2.gz JADKFUQMVFELDL-HNNXBMFYSA-N 1 1 321.207 3.848 10 0 DHAEMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000261508279 203073977 /nfs/dbraw/zinc/07/39/77/203073977.db2.gz QZFCAOGECMVMDZ-MRXNPFEDSA-N 1 1 304.434 3.518 10 0 DHAEMO CCOC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000093419182 193247831 /nfs/dbraw/zinc/24/78/31/193247831.db2.gz PHCNGFXVNYJSRP-INIZCTEOSA-N 1 1 313.445 3.634 10 0 DHAEMO CC(C)Cc1ncc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000093438553 193253361 /nfs/dbraw/zinc/25/33/61/193253361.db2.gz ZIEPMQWRYTUWHQ-OAHLLOKOSA-N 1 1 304.463 3.792 10 0 DHAEMO CC(C)Cc1ncc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000093438553 193253362 /nfs/dbraw/zinc/25/33/62/193253362.db2.gz ZIEPMQWRYTUWHQ-OAHLLOKOSA-N 1 1 304.463 3.792 10 0 DHAEMO CC[N@H+]([C@@H](CN)c1ccc(Br)o1)C1CCCCC1 ZINC000019259266 182111913 /nfs/dbraw/zinc/11/19/13/182111913.db2.gz RKRIQGUGPHIHJF-LBPRGKRZSA-N 1 1 315.255 3.697 10 0 DHAEMO CC[N@@H+]([C@@H](CN)c1ccc(Br)o1)C1CCCCC1 ZINC000019259266 182111914 /nfs/dbraw/zinc/11/19/14/182111914.db2.gz RKRIQGUGPHIHJF-LBPRGKRZSA-N 1 1 315.255 3.697 10 0 DHAEMO c1ccc(-c2noc3c2C[N@@H+](C2Cc4ccccc4C2)CC3)cc1 ZINC000019223361 182108288 /nfs/dbraw/zinc/10/82/88/182108288.db2.gz QNVIPRNBYQXTNF-UHFFFAOYSA-N 1 1 316.404 3.867 10 0 DHAEMO CCCN(CCC)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019433631 182123175 /nfs/dbraw/zinc/12/31/75/182123175.db2.gz RKTJCFLRKWLGBW-AWEZNQCLSA-N 1 1 317.246 3.710 10 0 DHAEMO C[N@@H+]([C@H](CN)c1ccc(Br)cc1)C1CCCCC1 ZINC000019441227 182123182 /nfs/dbraw/zinc/12/31/82/182123182.db2.gz RMSZSDIYGDAVCA-OAHLLOKOSA-N 1 1 311.267 3.713 10 0 DHAEMO CN([C@H](C[NH3+])c1ccc(Br)cc1)C1CCCCC1 ZINC000019441227 182123183 /nfs/dbraw/zinc/12/31/83/182123183.db2.gz RMSZSDIYGDAVCA-OAHLLOKOSA-N 1 1 311.267 3.713 10 0 DHAEMO C[N@@H+]([C@@H](CN)c1ccc(Br)cc1)C1CCCCC1 ZINC000019441225 182122906 /nfs/dbraw/zinc/12/29/06/182122906.db2.gz RMSZSDIYGDAVCA-HNNXBMFYSA-N 1 1 311.267 3.713 10 0 DHAEMO CN([C@@H](C[NH3+])c1ccc(Br)cc1)C1CCCCC1 ZINC000019441225 182122907 /nfs/dbraw/zinc/12/29/07/182122907.db2.gz RMSZSDIYGDAVCA-HNNXBMFYSA-N 1 1 311.267 3.713 10 0 DHAEMO CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1Br)N(C)C ZINC000020145652 182192114 /nfs/dbraw/zinc/19/21/14/182192114.db2.gz GIOTWZRMDHGGQK-WFASDCNBSA-N 1 1 313.283 3.686 10 0 DHAEMO Cc1cc(Br)ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523836 182227183 /nfs/dbraw/zinc/22/71/83/182227183.db2.gz MRSXDHHPGPSDMF-AGUYFDCRSA-N 1 1 309.251 3.795 10 0 DHAEMO CCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](C/C=C/C(C)C)C1 ZINC000020918335 182253555 /nfs/dbraw/zinc/25/35/55/182253555.db2.gz QTLQRGXCSQZFPI-WSSFADSRSA-N 1 1 301.478 3.580 10 0 DHAEMO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C/C=C/C(C)C)C1 ZINC000020918335 182253556 /nfs/dbraw/zinc/25/35/56/182253556.db2.gz QTLQRGXCSQZFPI-WSSFADSRSA-N 1 1 301.478 3.580 10 0 DHAEMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C/C=C/C(C)C)C1 ZINC000020918335 182253559 /nfs/dbraw/zinc/25/35/59/182253559.db2.gz QTLQRGXCSQZFPI-WSSFADSRSA-N 1 1 301.478 3.580 10 0 DHAEMO CCN(Cc1ccncc1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000022851426 182336873 /nfs/dbraw/zinc/33/68/73/182336873.db2.gz GVHXIMDYAAVWOH-NRFANRHFSA-N 1 1 323.484 3.611 10 0 DHAEMO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000022851426 182336875 /nfs/dbraw/zinc/33/68/75/182336875.db2.gz GVHXIMDYAAVWOH-NRFANRHFSA-N 1 1 323.484 3.611 10 0 DHAEMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000022851426 182336876 /nfs/dbraw/zinc/33/68/76/182336876.db2.gz GVHXIMDYAAVWOH-NRFANRHFSA-N 1 1 323.484 3.611 10 0 DHAEMO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](C3CCCC3)C2)o1 ZINC000023430263 182360498 /nfs/dbraw/zinc/36/04/98/182360498.db2.gz FMAUIMHXRDEVCQ-INIZCTEOSA-N 1 1 318.461 3.639 10 0 DHAEMO CC1CC[NH+]([C@H](CN)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000039789208 183021689 /nfs/dbraw/zinc/02/16/89/183021689.db2.gz UYOAZIWOIRHNSA-OAQYLSRUSA-N 1 1 324.468 3.997 10 0 DHAEMO Nc1c(NCCC2=CCCCC2)[nH+]cnc1N1CCCCCC1 ZINC000040725437 183124531 /nfs/dbraw/zinc/12/45/31/183124531.db2.gz PIXRPJJXFGKTIU-UHFFFAOYSA-N 1 1 315.465 3.742 10 0 DHAEMO Nc1c(NCCC2=CCCCC2)nc[nH+]c1N1CCCCCC1 ZINC000040725437 183124534 /nfs/dbraw/zinc/12/45/34/183124534.db2.gz PIXRPJJXFGKTIU-UHFFFAOYSA-N 1 1 315.465 3.742 10 0 DHAEMO CC(C)C[N@@H+]([C@H](CN)c1ccc(Br)cc1)C1CC1 ZINC000042555918 183284683 /nfs/dbraw/zinc/28/46/83/183284683.db2.gz MCKZAHZXPGESAM-OAHLLOKOSA-N 1 1 311.267 3.569 10 0 DHAEMO CC(C)CN([C@H](C[NH3+])c1ccc(Br)cc1)C1CC1 ZINC000042555918 183284686 /nfs/dbraw/zinc/28/46/86/183284686.db2.gz MCKZAHZXPGESAM-OAHLLOKOSA-N 1 1 311.267 3.569 10 0 DHAEMO CC(C)[N@H+](CC1CC1)[C@H](CN)c1ccc(Br)s1 ZINC000042580501 183286154 /nfs/dbraw/zinc/28/61/54/183286154.db2.gz AGQQATWFUOGEBR-LLVKDONJSA-N 1 1 317.296 3.631 10 0 DHAEMO CC(C)[N@@H+](CC1CC1)[C@H](CN)c1ccc(Br)s1 ZINC000042580501 183286158 /nfs/dbraw/zinc/28/61/58/183286158.db2.gz AGQQATWFUOGEBR-LLVKDONJSA-N 1 1 317.296 3.631 10 0 DHAEMO CC(C)C[N@@H+](C(C)C)[C@@H](CN)c1ccc(Br)s1 ZINC000042579773 183286356 /nfs/dbraw/zinc/28/63/56/183286356.db2.gz RERQRTIWAJHMRR-NSHDSACASA-N 1 1 319.312 3.877 10 0 DHAEMO CC(C)CN(C(C)C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042579773 183286361 /nfs/dbraw/zinc/28/63/61/183286361.db2.gz RERQRTIWAJHMRR-NSHDSACASA-N 1 1 319.312 3.877 10 0 DHAEMO CC[C@H](C)[N@H+](CCOC)[C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000042587219 183287938 /nfs/dbraw/zinc/28/79/38/183287938.db2.gz YRYZHTSNTLVQOP-QWRGUYRKSA-N 1 1 303.855 3.720 10 0 DHAEMO CC[C@H](C)[N@@H+](CCOC)[C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000042587219 183287939 /nfs/dbraw/zinc/28/79/39/183287939.db2.gz YRYZHTSNTLVQOP-QWRGUYRKSA-N 1 1 303.855 3.720 10 0 DHAEMO C[C@@H]([NH2+][C@@H](C)CN1CCCC1)c1ccccc1Br ZINC000042597533 183289739 /nfs/dbraw/zinc/28/97/39/183289739.db2.gz JERUTYQBGQDATQ-QWHCGFSZSA-N 1 1 311.267 3.584 10 0 DHAEMO C[C@H]([N@H+](C)[C@@H](CN)c1cc(Br)cs1)C(C)(C)C ZINC000042742040 183304612 /nfs/dbraw/zinc/30/46/12/183304612.db2.gz RIVCVJGHXWZIQJ-ONGXEEELSA-N 1 1 319.312 3.877 10 0 DHAEMO C[C@H]([N@@H+](C)[C@@H](CN)c1cc(Br)cs1)C(C)(C)C ZINC000042742040 183304615 /nfs/dbraw/zinc/30/46/15/183304615.db2.gz RIVCVJGHXWZIQJ-ONGXEEELSA-N 1 1 319.312 3.877 10 0 DHAEMO CCCC[N@@H+](CC)[C@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952516 183320773 /nfs/dbraw/zinc/32/07/73/183320773.db2.gz IMVLECWXZUWXTH-DOMZBBRYSA-N 1 1 313.283 3.959 10 0 DHAEMO CCCCN(CC)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952516 183320775 /nfs/dbraw/zinc/32/07/75/183320775.db2.gz IMVLECWXZUWXTH-DOMZBBRYSA-N 1 1 313.283 3.959 10 0 DHAEMO CC[C@@H](N)[C@H](c1ccc(Br)cc1)[N@@H+](CC)C(C)C ZINC000042952821 183321742 /nfs/dbraw/zinc/32/17/42/183321742.db2.gz PKPDXXYATVWTEE-CABCVRRESA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(CC)C(C)C ZINC000042952821 183321745 /nfs/dbraw/zinc/32/17/45/183321745.db2.gz PKPDXXYATVWTEE-CABCVRRESA-N 1 1 313.283 3.958 10 0 DHAEMO CC[N@@H+](CC(C)C)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952930 183322073 /nfs/dbraw/zinc/32/20/73/183322073.db2.gz ZQVHUXGEWYTMRL-IUODEOHRSA-N 1 1 313.283 3.815 10 0 DHAEMO CCN(CC(C)C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952930 183322080 /nfs/dbraw/zinc/32/20/80/183322080.db2.gz ZQVHUXGEWYTMRL-IUODEOHRSA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@H](N)[C@H](c1cccc(Br)c1)[N@H+](CC)C1CC1 ZINC000043020299 183329171 /nfs/dbraw/zinc/32/91/71/183329171.db2.gz DMKBRCXWHYYRSK-GJZGRUSLSA-N 1 1 311.267 3.712 10 0 DHAEMO CC[C@H](N)[C@H](c1cccc(Br)c1)[N@@H+](CC)C1CC1 ZINC000043020299 183329173 /nfs/dbraw/zinc/32/91/73/183329173.db2.gz DMKBRCXWHYYRSK-GJZGRUSLSA-N 1 1 311.267 3.712 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)c1 ZINC000105900887 194164206 /nfs/dbraw/zinc/16/42/06/194164206.db2.gz HVJLWYJLDMGOPM-GOSISDBHSA-N 1 1 306.413 3.577 10 0 DHAEMO CC[C@@H]([NH3+])c1nnc(-c2ccc(Br)cc2Cl)o1 ZINC000061497358 184171742 /nfs/dbraw/zinc/17/17/42/184171742.db2.gz PTEDEDAWZHDJNK-SECBINFHSA-N 1 1 316.586 3.562 10 0 DHAEMO C[N@@H+]1CCC2(C1)CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000063527745 184285053 /nfs/dbraw/zinc/28/50/53/184285053.db2.gz WERZHVVAFDJWFZ-UHFFFAOYSA-N 1 1 312.379 3.623 10 0 DHAEMO C[N@H+]1CCC2(C1)CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000063527745 184285054 /nfs/dbraw/zinc/28/50/54/184285054.db2.gz WERZHVVAFDJWFZ-UHFFFAOYSA-N 1 1 312.379 3.623 10 0 DHAEMO CN(C)[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000503716544 257209492 /nfs/dbraw/zinc/20/94/92/257209492.db2.gz GVWQHTDXXGHFEL-SLFFLAALSA-N 1 1 310.416 3.658 10 0 DHAEMO C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000120428146 132142080 /nfs/dbraw/zinc/14/20/80/132142080.db2.gz BOSUYKPELBRRED-UGSOOPFHSA-N 1 1 304.384 3.918 10 0 DHAEMO Cc1ncc(CN2CC[NH+]([C@@H](C)c3cccc(C)c3)CC2)s1 ZINC000173673040 332835514 /nfs/dbraw/zinc/83/55/14/332835514.db2.gz LONIBZGIVDTWSL-HNNXBMFYSA-N 1 1 315.486 3.639 10 0 DHAEMO C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccn1 ZINC000180156793 333026989 /nfs/dbraw/zinc/02/69/89/333026989.db2.gz ANGFFOZOGBDJOQ-MCNSAMFCSA-N 1 1 321.468 3.643 10 0 DHAEMO C[C@H](CC1CCCCC1)c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000329703523 336060784 /nfs/dbraw/zinc/06/07/84/336060784.db2.gz IIXOJJDSZHWLGB-FVQBIDKESA-N 1 1 319.449 3.679 10 0 DHAEMO C[C@H](CC1CCCCC1)c1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000329703523 336060786 /nfs/dbraw/zinc/06/07/86/336060786.db2.gz IIXOJJDSZHWLGB-FVQBIDKESA-N 1 1 319.449 3.679 10 0 DHAEMO Cc1nc(Cl)cc(N[C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000301197452 336294441 /nfs/dbraw/zinc/29/44/41/336294441.db2.gz KYVKBUMBTKOQSN-CYBMUJFWSA-N 1 1 308.857 3.647 10 0 DHAEMO O=[S@](CCNc1cc[nH+]c2ccsc21)Cc1ccccc1 ZINC000301406083 336304796 /nfs/dbraw/zinc/30/47/96/336304796.db2.gz URWXPRXBFQACBI-OAQYLSRUSA-N 1 1 316.451 3.657 10 0 DHAEMO CCS[C@H]1CC[C@]1(O)CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000301491471 336310100 /nfs/dbraw/zinc/31/01/00/336310100.db2.gz NNZDOOJCSOFNPQ-HOTGVXAUSA-N 1 1 322.861 3.947 10 0 DHAEMO CCS[C@@H]1CC[C@@]1(O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000301497531 336310543 /nfs/dbraw/zinc/31/05/43/336310543.db2.gz UYQQXAOOMSNEQJ-HZPDHXFCSA-N 1 1 322.861 3.947 10 0 DHAEMO CCC[N@H+]1CCCN(c2cc(C)nc3c(F)cccc23)CC1 ZINC000301696468 336324069 /nfs/dbraw/zinc/32/40/69/336324069.db2.gz ZCCSKZCFERWLSF-UHFFFAOYSA-N 1 1 301.409 3.604 10 0 DHAEMO Cc1nc2ccccc2nc1NCCc1nc2ccc(F)cc2[nH]1 ZINC000301728418 336325965 /nfs/dbraw/zinc/32/59/65/336325965.db2.gz RBKRHVDAPRNAQP-UHFFFAOYSA-N 1 1 321.359 3.608 10 0 DHAEMO Cn1cc([C@H]2CCCN2c2cc[nH+]c3cc(Cl)ccc32)cn1 ZINC000108946215 336394657 /nfs/dbraw/zinc/39/46/57/336394657.db2.gz RDUJHPANTCNHOI-MRXNPFEDSA-N 1 1 312.804 3.963 10 0 DHAEMO COc1c(C)cc(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1C ZINC000123012222 337034001 /nfs/dbraw/zinc/03/40/01/337034001.db2.gz UWMLQMXLNLZOGL-SFHVURJKSA-N 1 1 313.445 3.654 10 0 DHAEMO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000172596617 337130144 /nfs/dbraw/zinc/13/01/44/337130144.db2.gz QLHDRXZJRFTOJW-DNVCBOLYSA-N 1 1 312.461 3.888 10 0 DHAEMO CCn1c(C)nnc1C[N@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000172596617 337130145 /nfs/dbraw/zinc/13/01/45/337130145.db2.gz QLHDRXZJRFTOJW-DNVCBOLYSA-N 1 1 312.461 3.888 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCCC2CCCC2)C1 ZINC000173096778 337132160 /nfs/dbraw/zinc/13/21/60/337132160.db2.gz YRRUTUSLEJEDIX-QGZVFWFLSA-N 1 1 317.477 3.970 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)n1 ZINC000173757856 337136003 /nfs/dbraw/zinc/13/60/03/337136003.db2.gz SJILKAYCKPFHCY-CYBMUJFWSA-N 1 1 307.850 3.880 10 0 DHAEMO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000175148535 337144733 /nfs/dbraw/zinc/14/47/33/337144733.db2.gz PKJVLCJANNURKQ-GFCCVEGCSA-N 1 1 302.422 3.636 10 0 DHAEMO CCCCCC[C@H](C)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000175523735 337147765 /nfs/dbraw/zinc/14/77/65/337147765.db2.gz SJRRHDDUXWXGRM-RDJZCZTQSA-N 1 1 320.481 3.724 10 0 DHAEMO CC[C@@H](NC(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1ccc(C)cc1 ZINC000176154810 337150626 /nfs/dbraw/zinc/15/06/26/337150626.db2.gz KGHAGWJCTMFKTJ-QZTJIDSGSA-N 1 1 317.477 3.572 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C/C=C/c1ccc(C)cc1 ZINC000176690764 337152710 /nfs/dbraw/zinc/15/27/10/337152710.db2.gz PUVOYZSVSDGNHJ-MEDHRJKHSA-N 1 1 323.440 3.594 10 0 DHAEMO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1nnc2n1CCCC2 ZINC000178076321 337160324 /nfs/dbraw/zinc/16/03/24/337160324.db2.gz DUDHZMQTNVHVNS-CJNGLKHVSA-N 1 1 310.445 3.688 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000178312384 337163824 /nfs/dbraw/zinc/16/38/24/337163824.db2.gz TYUHYSGYKVAWIX-OAHLLOKOSA-N 1 1 323.362 3.875 10 0 DHAEMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cnn(C(C)C)c2)C12CCCC2 ZINC000179863469 337172356 /nfs/dbraw/zinc/17/23/56/337172356.db2.gz LOBWWFYASRHYEH-IRXDYDNUSA-N 1 1 305.466 3.634 10 0 DHAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181101697 337179934 /nfs/dbraw/zinc/17/99/34/337179934.db2.gz DOTHRXKMTYIKNV-GJZGRUSLSA-N 1 1 324.428 3.985 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C(C)C)o1 ZINC000183076181 337191380 /nfs/dbraw/zinc/19/13/80/337191380.db2.gz DAFIJVUGFNQOMS-MRXNPFEDSA-N 1 1 314.429 3.676 10 0 DHAEMO Cc1[nH+]ccn1CCCCNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183988325 337194353 /nfs/dbraw/zinc/19/43/53/337194353.db2.gz LPFMCEWTPVAGFH-ZBFHGGJFSA-N 1 1 305.466 3.550 10 0 DHAEMO COc1cccc([C@H](C)[N@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)c1 ZINC000188089060 337270410 /nfs/dbraw/zinc/27/04/10/337270410.db2.gz KFTQSHRSZQNULL-XCRHUMRWSA-N 1 1 317.454 3.526 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc(C2CCC2)cc1 ZINC000188958262 337276829 /nfs/dbraw/zinc/27/68/29/337276829.db2.gz VSEZVMOAVBYIRF-LJQANCHMSA-N 1 1 323.440 3.764 10 0 DHAEMO Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)cc1C ZINC000190289459 337286387 /nfs/dbraw/zinc/28/63/87/337286387.db2.gz JBHVJSQNGPIVNE-MSOLQXFVSA-N 1 1 301.455 3.573 10 0 DHAEMO Cc1csc([C@H]2CCC[N@@H+](C[C@H](O)C3CCCCC3)C2)n1 ZINC000191321614 337295933 /nfs/dbraw/zinc/29/59/33/337295933.db2.gz FVMDUTVFVVQKPK-HOTGVXAUSA-N 1 1 308.491 3.572 10 0 DHAEMO COc1ccc(Cl)c(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000192058437 337302205 /nfs/dbraw/zinc/30/22/05/337302205.db2.gz SJMQLTXHSMWJEA-OAHLLOKOSA-N 1 1 319.836 3.518 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cccc2cccnc21 ZINC000105895457 337386908 /nfs/dbraw/zinc/38/69/08/337386908.db2.gz SGBQFBZTCQJGIV-GOSISDBHSA-N 1 1 320.440 3.922 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC000119076269 337394315 /nfs/dbraw/zinc/39/43/15/337394315.db2.gz FLIPSDDKULXAKC-INIZCTEOSA-N 1 1 317.477 3.825 10 0 DHAEMO Cc1cc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c(C)s1 ZINC000130823630 337434494 /nfs/dbraw/zinc/43/44/94/337434494.db2.gz HQBPYOIDXZQYHT-VXGBXAGGSA-N 1 1 304.463 3.705 10 0 DHAEMO CCSc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000090223713 337879346 /nfs/dbraw/zinc/87/93/46/337879346.db2.gz ASBXNDKCJRJDCR-IUODEOHRSA-N 1 1 316.474 3.884 10 0 DHAEMO CCc1ccc([C@H](C)[NH2+]Cc2ccsc2C(=O)OC)cc1 ZINC000154166879 338238001 /nfs/dbraw/zinc/23/80/01/338238001.db2.gz HBLLLSUGXKPUNC-LBPRGKRZSA-N 1 1 303.427 3.948 10 0 DHAEMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2)CC1 ZINC000303081140 340300971 /nfs/dbraw/zinc/30/09/71/340300971.db2.gz ARLVUZYVGPCCQI-OALUTQOASA-N 1 1 319.489 3.712 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc3c2N=S=N3)o1 ZINC000193644493 340580814 /nfs/dbraw/zinc/58/08/14/340580814.db2.gz CQWTUSDCTYEOEQ-JTQLQIEISA-N 1 1 316.386 3.604 10 0 DHAEMO C[N@H+](Cc1ccc2ccccc2n1)C[C@@H]1COc2ccccc2O1 ZINC000072822452 341107882 /nfs/dbraw/zinc/10/78/82/341107882.db2.gz IFEMUCMKSQKHPP-QGZVFWFLSA-N 1 1 320.392 3.507 10 0 DHAEMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCS[C@@H](C)C1 ZINC000074990310 341159209 /nfs/dbraw/zinc/15/92/09/341159209.db2.gz NSQDMMHKZFTIPQ-QWRGUYRKSA-N 1 1 323.849 3.888 10 0 DHAEMO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCS[C@@H](C)C1 ZINC000074990310 341159210 /nfs/dbraw/zinc/15/92/10/341159210.db2.gz NSQDMMHKZFTIPQ-QWRGUYRKSA-N 1 1 323.849 3.888 10 0 DHAEMO CCCc1ccccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000246087355 341324567 /nfs/dbraw/zinc/32/45/67/341324567.db2.gz WDJXITKWDQFACG-IAGOWNOFSA-N 1 1 315.461 3.730 10 0 DHAEMO CCSc1cccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246305791 341341134 /nfs/dbraw/zinc/34/11/34/341341134.db2.gz DLUBQTUHXGTDDB-CJNGLKHVSA-N 1 1 321.490 3.649 10 0 DHAEMO COc1cc([C@H](C)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1SC ZINC000246468158 341349975 /nfs/dbraw/zinc/34/99/75/341349975.db2.gz QHCBTJQZJSMJSD-OFQRWUPVSA-N 1 1 322.518 3.796 10 0 DHAEMO COc1cc([C@H](C)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1SC ZINC000246468158 341349976 /nfs/dbraw/zinc/34/99/76/341349976.db2.gz QHCBTJQZJSMJSD-OFQRWUPVSA-N 1 1 322.518 3.796 10 0 DHAEMO C[C@@H]1C[C@H](N[C@H]2CC(C)(C)Oc3ccccc32)C[N@@H+]1C1CC1 ZINC000246841488 341357661 /nfs/dbraw/zinc/35/76/61/341357661.db2.gz BONASZHZPWLBLR-KEYYUXOJSA-N 1 1 300.446 3.504 10 0 DHAEMO C[C@@H]1C[C@H](N[C@H]2CC(C)(C)Oc3ccccc32)C[N@H+]1C1CC1 ZINC000246841488 341357662 /nfs/dbraw/zinc/35/76/62/341357662.db2.gz BONASZHZPWLBLR-KEYYUXOJSA-N 1 1 300.446 3.504 10 0 DHAEMO CCCCOC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000248656555 341382993 /nfs/dbraw/zinc/38/29/93/341382993.db2.gz RRCSQEMYUZQEON-SJORKVTESA-N 1 1 311.853 3.655 10 0 DHAEMO CCCCOC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000248661561 341383435 /nfs/dbraw/zinc/38/34/35/341383435.db2.gz XHUDJERCUHPZFZ-YOEHRIQHSA-N 1 1 311.853 3.655 10 0 DHAEMO CC(C)c1ccc([C@H]([NH2+]Cc2nnnn2C(C)C)C(C)C)cc1 ZINC000154350931 341588408 /nfs/dbraw/zinc/58/84/08/341588408.db2.gz VUCHVHLVZYGZBS-GOSISDBHSA-N 1 1 315.465 3.864 10 0 DHAEMO C/C(=C\c1ccc(C)cc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000182305906 518438882 /nfs/dbraw/zinc/43/88/82/518438882.db2.gz DXPKWNDQVOIWIT-NRMGUKERSA-N 1 1 323.440 3.594 10 0 DHAEMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000179861440 518443277 /nfs/dbraw/zinc/44/32/77/518443277.db2.gz JTUQPHDOBLONIL-HAZIXKIPSA-N 1 1 311.429 3.736 10 0 DHAEMO CC(C)c1csc([C@H]2CCC[N@@H+](CCCn3ccnc3)C2)n1 ZINC000182797716 519857443 /nfs/dbraw/zinc/85/74/43/519857443.db2.gz HMHKGHKTEBUZKU-HNNXBMFYSA-N 1 1 318.490 3.733 10 0 DHAEMO CCc1ccccc1C[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000188915931 521828886 /nfs/dbraw/zinc/82/88/86/521828886.db2.gz NFMLWKULIUYKKN-INIZCTEOSA-N 1 1 302.443 3.587 10 0 DHAEMO CCc1ccccc1C[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000188915931 521828898 /nfs/dbraw/zinc/82/88/98/521828898.db2.gz NFMLWKULIUYKKN-INIZCTEOSA-N 1 1 302.443 3.587 10 0 DHAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](CC)c1ccc(CC)cc1 ZINC000167798911 522519792 /nfs/dbraw/zinc/51/97/92/522519792.db2.gz SUADFEQUYUHQIF-IAGOWNOFSA-N 1 1 312.461 3.979 10 0 DHAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000166821177 522520054 /nfs/dbraw/zinc/52/00/54/522520054.db2.gz XQWLHXJWOCVBJC-DLBZAZTESA-N 1 1 310.445 3.651 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000106212139 522596521 /nfs/dbraw/zinc/59/65/21/522596521.db2.gz BUXPTWCGURBUBR-WMLDXEAASA-N 1 1 301.409 3.983 10 0 DHAEMO CCc1nnc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)n1C ZINC000181493585 522745901 /nfs/dbraw/zinc/74/59/01/522745901.db2.gz QCKQDKYVVCDHPC-GOSISDBHSA-N 1 1 316.424 3.538 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181278370 523154878 /nfs/dbraw/zinc/15/48/78/523154878.db2.gz TWSXSKNDEIXLDO-AWEZNQCLSA-N 1 1 321.428 3.519 10 0 DHAEMO CCn1nccc1C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000130212015 523726122 /nfs/dbraw/zinc/72/61/22/523726122.db2.gz CNLKMIDPRMPPKO-AWEZNQCLSA-N 1 1 318.490 3.863 10 0 DHAEMO CCc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)n2C2CC2)cc1 ZINC000181617389 524026090 /nfs/dbraw/zinc/02/60/90/524026090.db2.gz SLBXJPGUIRFWPA-CYBMUJFWSA-N 1 1 310.445 3.904 10 0 DHAEMO Cc1ccc(CC[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000124319262 524321122 /nfs/dbraw/zinc/32/11/22/524321122.db2.gz MJBLQEZCWBGUIE-SFHVURJKSA-N 1 1 324.472 3.693 10 0 DHAEMO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(OC(C)(C)C)cc1 ZINC000157225071 525563738 /nfs/dbraw/zinc/56/37/38/525563738.db2.gz MUYXZSPDBCSNOC-XJKSGUPXSA-N 1 1 314.433 3.641 10 0 DHAEMO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(OC(C)(C)C)cc1 ZINC000157225204 525639649 /nfs/dbraw/zinc/63/96/49/525639649.db2.gz MUYXZSPDBCSNOC-CZUORRHYSA-N 1 1 314.433 3.641 10 0 DHAEMO Cc1c([C@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)cnn1C(C)C ZINC000191136253 525922331 /nfs/dbraw/zinc/92/23/31/525922331.db2.gz JFULKQHKDXVLCR-KXBFYZLASA-N 1 1 314.477 3.726 10 0 DHAEMO C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171406 526071615 /nfs/dbraw/zinc/07/16/15/526071615.db2.gz CCYCWFYWAUFUNW-SJORKVTESA-N 1 1 320.440 3.905 10 0 DHAEMO C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000181117644 526181199 /nfs/dbraw/zinc/18/11/99/526181199.db2.gz MHQZGOHTHNHDEL-HUUCEWRRSA-N 1 1 322.412 3.718 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc2ccccc21 ZINC000177606942 527187816 /nfs/dbraw/zinc/18/78/16/527187816.db2.gz PNIWWKPBHBVGAV-ACJLOTCBSA-N 1 1 306.413 3.925 10 0 DHAEMO CC[C@@H](C)[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccncc1 ZINC000055071536 563471095 /nfs/dbraw/zinc/47/10/95/563471095.db2.gz CHYYZFRUQCXIFA-CQSZACIVSA-N 1 1 300.450 3.903 10 0 DHAEMO CC[C@@H](C)[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccncc1 ZINC000055071536 563471099 /nfs/dbraw/zinc/47/10/99/563471099.db2.gz CHYYZFRUQCXIFA-CQSZACIVSA-N 1 1 300.450 3.903 10 0 DHAEMO Brc1sccc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712526121 563321111 /nfs/dbraw/zinc/32/11/11/563321111.db2.gz BLGNRDBIUULEIY-SECBINFHSA-N 1 1 300.246 3.807 10 0 DHAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)C[C@H]1NC(=O)OC(C)(C)C ZINC000068592712 563494860 /nfs/dbraw/zinc/49/48/60/563494860.db2.gz PQHYEHZEEAWEJB-HLLBOEOZSA-N 1 1 318.461 3.810 10 0 DHAEMO Cc1ccsc1C[NH2+]Cc1sncc1Br ZINC000669379546 563869575 /nfs/dbraw/zinc/86/95/75/563869575.db2.gz FSDJMOCITODKOC-UHFFFAOYSA-N 1 1 303.250 3.565 10 0 DHAEMO c1cc(-c2nc(CN3CCC[N@H+](C4CC4)CC3)cs2)cs1 ZINC000061040688 1025931764 /nfs/dbraw/zinc/93/17/64/1025931764.db2.gz MMYVHKXSUBMGIZ-UHFFFAOYSA-N 1 1 319.499 3.542 10 0 DHAEMO CCC[N@H+](CC(=O)N1CCC[C@H]1c1cccs1)CC1CC1 ZINC000052891034 1026423039 /nfs/dbraw/zinc/42/30/39/1026423039.db2.gz SJXOHFKIMLZHRO-HNNXBMFYSA-N 1 1 306.475 3.534 10 0 DHAEMO O=C(CCCCCc1cccs1)N1CCC[N@H+](C2CC2)CC1 ZINC000067149697 1030521811 /nfs/dbraw/zinc/52/18/11/1030521811.db2.gz YXNMPVCNIRMRNO-UHFFFAOYSA-N 1 1 320.502 3.548 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000090224409 185287236 /nfs/dbraw/zinc/28/72/36/185287236.db2.gz HUVPHELPBUEFLJ-SUMWQHHRSA-N 1 1 314.433 3.559 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000090224532 185287340 /nfs/dbraw/zinc/28/73/40/185287340.db2.gz RILFKMSMRPQEKZ-KGLIPLIRSA-N 1 1 304.463 3.860 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000090223325 185287407 /nfs/dbraw/zinc/28/74/07/185287407.db2.gz UCDQYTZAQZHUAL-KDOFPFPSSA-N 1 1 312.461 3.971 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000090226501 185287632 /nfs/dbraw/zinc/28/76/32/185287632.db2.gz HLLYLKKLCOKKPE-QMTHXVAHSA-N 1 1 324.350 3.791 10 0 DHAEMO COc1ccccc1C[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)C(C)C ZINC000090528574 185300828 /nfs/dbraw/zinc/30/08/28/185300828.db2.gz XQIKTSPVQJJECT-KSSFIOAISA-N 1 1 315.461 3.515 10 0 DHAEMO Cc1cc(C[C@@H](C)[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)n[nH]1 ZINC000090531734 185300916 /nfs/dbraw/zinc/30/09/16/185300916.db2.gz LCELWLMLIASSFC-RDTXWAMCSA-N 1 1 313.445 3.769 10 0 DHAEMO COC(=O)c1ccc2c(c1Cl)CC[N@@H+](Cc1ccccc1)C2 ZINC000091693046 193092733 /nfs/dbraw/zinc/09/27/33/193092733.db2.gz VSVYEKNQJAHEBT-UHFFFAOYSA-N 1 1 315.800 3.685 10 0 DHAEMO COC(=O)c1ccc2c(c1Cl)CC[N@H+](Cc1ccccc1)C2 ZINC000091693046 193092735 /nfs/dbraw/zinc/09/27/35/193092735.db2.gz VSVYEKNQJAHEBT-UHFFFAOYSA-N 1 1 315.800 3.685 10 0 DHAEMO CC[N@H+]([C@H](CN)c1ccc(Br)o1)C1CCCCC1 ZINC000019259268 182111883 /nfs/dbraw/zinc/11/18/83/182111883.db2.gz RKRIQGUGPHIHJF-GFCCVEGCSA-N 1 1 315.255 3.697 10 0 DHAEMO CC[N@@H+]([C@H](CN)c1ccc(Br)o1)C1CCCCC1 ZINC000019259268 182111884 /nfs/dbraw/zinc/11/18/84/182111884.db2.gz RKRIQGUGPHIHJF-GFCCVEGCSA-N 1 1 315.255 3.697 10 0 DHAEMO CCC[NH+](CCC)[C@@H](CN)c1ccc(Br)s1 ZINC000019393089 182120593 /nfs/dbraw/zinc/12/05/93/182120593.db2.gz JKXOPCJGLHFTKD-JTQLQIEISA-N 1 1 305.285 3.632 10 0 DHAEMO Cc1c(C[N@@H+]2CCC[C@H](N3CCCC3)C2)c2ccccc2n1C ZINC000020877729 182251688 /nfs/dbraw/zinc/25/16/88/182251688.db2.gz FZSCKPGBDHOBJQ-KRWDZBQOSA-N 1 1 311.473 3.547 10 0 DHAEMO Cc1c(C[N@H+]2CCC[C@H](N3CCCC3)C2)c2ccccc2n1C ZINC000020877729 182251689 /nfs/dbraw/zinc/25/16/89/182251689.db2.gz FZSCKPGBDHOBJQ-KRWDZBQOSA-N 1 1 311.473 3.547 10 0 DHAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)[C@@H](CN)c1ccc(Br)o1 ZINC000042607000 183290554 /nfs/dbraw/zinc/29/05/54/183290554.db2.gz LDFNWSABLSXDEX-SRVKXCTJSA-N 1 1 315.255 3.552 10 0 DHAEMO C[C@H]1CCCC[C@@H]1N(C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042607000 183290556 /nfs/dbraw/zinc/29/05/56/183290556.db2.gz LDFNWSABLSXDEX-SRVKXCTJSA-N 1 1 315.255 3.552 10 0 DHAEMO CC[C@H](N)[C@H](c1ccc(Br)cc1)[N@H+](CC)C1CC1 ZINC000042952777 183321924 /nfs/dbraw/zinc/32/19/24/183321924.db2.gz CENHFVVZCLPKTI-GJZGRUSLSA-N 1 1 311.267 3.712 10 0 DHAEMO CC[C@H](N)[C@H](c1ccc(Br)cc1)[N@@H+](CC)C1CC1 ZINC000042952777 183321925 /nfs/dbraw/zinc/32/19/25/183321925.db2.gz CENHFVVZCLPKTI-GJZGRUSLSA-N 1 1 311.267 3.712 10 0 DHAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000106216170 194191453 /nfs/dbraw/zinc/19/14/53/194191453.db2.gz KRGXIVPKULUQSX-AWEZNQCLSA-N 1 1 305.372 3.561 10 0 DHAEMO Brc1ccc([C@@H]2C[NH2+][C@H](c3ccccc3)CO2)s1 ZINC000063003338 184266023 /nfs/dbraw/zinc/26/60/23/184266023.db2.gz XHHXKYCCPBJYOZ-RYUDHWBXSA-N 1 1 324.243 3.913 10 0 DHAEMO c1sc([C@@H]2C[C@@H]3CC[N@H+](CC4CC4)C[C@@H]3O2)nc1C1CC1 ZINC000503719544 257208722 /nfs/dbraw/zinc/20/87/22/257208722.db2.gz NGOCNTWOTYVHMW-BPUTZDHNSA-N 1 1 304.459 3.582 10 0 DHAEMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)C(C)C)cc1 ZINC000086339346 332020816 /nfs/dbraw/zinc/02/08/16/332020816.db2.gz GTYSAQLYHIRNBV-KBPBESRZSA-N 1 1 314.433 3.585 10 0 DHAEMO C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173653436 333076362 /nfs/dbraw/zinc/07/63/62/333076362.db2.gz OWIQRNMCHVOHRA-WMLDXEAASA-N 1 1 322.412 3.973 10 0 DHAEMO C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173653436 333076363 /nfs/dbraw/zinc/07/63/63/333076363.db2.gz OWIQRNMCHVOHRA-WMLDXEAASA-N 1 1 322.412 3.973 10 0 DHAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000048769212 334296016 /nfs/dbraw/zinc/29/60/16/334296016.db2.gz WUZDOAPAPVPSQV-LLVKDONJSA-N 1 1 316.232 3.599 10 0 DHAEMO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc(-c2ccncc2)c1 ZINC000164817864 334669559 /nfs/dbraw/zinc/66/95/59/334669559.db2.gz NOZLNXWGBPQNOF-RDTXWAMCSA-N 1 1 319.412 3.526 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)no1 ZINC000103150206 336237694 /nfs/dbraw/zinc/23/76/94/336237694.db2.gz SIJVHIKQKHXYGR-INIZCTEOSA-N 1 1 321.424 3.986 10 0 DHAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCSc2ccccc21 ZINC000167770216 336261648 /nfs/dbraw/zinc/26/16/48/336261648.db2.gz JGEBGLKNPORBNB-ZIAGYGMSSA-N 1 1 314.458 3.502 10 0 DHAEMO CC(C)c1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000104972426 336273051 /nfs/dbraw/zinc/27/30/51/336273051.db2.gz QODHZUDCUKSZSX-KRWDZBQOSA-N 1 1 301.434 3.512 10 0 DHAEMO Fc1c(N2CC[N@H+]3CCCC[C@@H]3C2)ccc2c(Cl)ccnc12 ZINC000301219827 336295409 /nfs/dbraw/zinc/29/54/09/336295409.db2.gz AJNRWTZRNQEFTG-GFCCVEGCSA-N 1 1 319.811 3.702 10 0 DHAEMO Clc1nc(N2CC[N@H+]3CCCC[C@@H]3C2)cc2ccccc21 ZINC000301250115 336296664 /nfs/dbraw/zinc/29/66/64/336296664.db2.gz RNZOFPQATXQKRW-CQSZACIVSA-N 1 1 301.821 3.563 10 0 DHAEMO CC[N@H+]1CCc2c(cccc2Nc2cc(Cl)nc(C)n2)C1 ZINC000301719190 336325365 /nfs/dbraw/zinc/32/53/65/336325365.db2.gz ZFDRATDWAWDWDT-UHFFFAOYSA-N 1 1 302.809 3.560 10 0 DHAEMO CCOC(=O)[C@]1(C)CCN(c2cc[nH+]c3ccc(Cl)cc32)C1 ZINC000301799890 336330821 /nfs/dbraw/zinc/33/08/21/336330821.db2.gz ZZYDEBUAFHMREB-QGZVFWFLSA-N 1 1 318.804 3.668 10 0 DHAEMO CCc1cc(N[C@@H](C)c2ccc(-c3cncnc3)cc2)nc(C)[nH+]1 ZINC000302101042 336348468 /nfs/dbraw/zinc/34/84/68/336348468.db2.gz PXPCUMSKPGMLBT-ZDUSSCGKSA-N 1 1 319.412 3.978 10 0 DHAEMO CCc1cc(N[C@H](C)c2cccc(-n3ccnc3)c2)nc(C)[nH+]1 ZINC000302127334 336349813 /nfs/dbraw/zinc/34/98/13/336349813.db2.gz ZYOFZPXXCLMKFA-CYBMUJFWSA-N 1 1 307.401 3.706 10 0 DHAEMO CC1=CC[N@@H+](CCNc2ccnc3c(F)cc(F)cc23)CC1 ZINC000302402654 336358241 /nfs/dbraw/zinc/35/82/41/336358241.db2.gz FXUPJUYDKUDASR-UHFFFAOYSA-N 1 1 303.356 3.577 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@@H+](C[C@](C)(O)c3ccccc3)C2)n1 ZINC000170778561 337082994 /nfs/dbraw/zinc/08/29/94/337082994.db2.gz OQCBUBPBZFNZMU-QAPCUYQASA-N 1 1 316.470 3.539 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000171519236 337087675 /nfs/dbraw/zinc/08/76/75/337087675.db2.gz ZPMUJZBUAZWURK-MRXNPFEDSA-N 1 1 305.372 3.652 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC000171519236 337087676 /nfs/dbraw/zinc/08/76/76/337087676.db2.gz ZPMUJZBUAZWURK-MRXNPFEDSA-N 1 1 305.372 3.652 10 0 DHAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000171524367 337087815 /nfs/dbraw/zinc/08/78/15/337087815.db2.gz OLGPZZWAJMMMSO-LBPRGKRZSA-N 1 1 309.866 3.998 10 0 DHAEMO C[C@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CCS1 ZINC000171688208 337088529 /nfs/dbraw/zinc/08/85/29/337088529.db2.gz QQNRJSWKZYCMKK-NSHDSACASA-N 1 1 305.365 3.565 10 0 DHAEMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nccn2C(C)C)C12CCCC2 ZINC000172670636 337129334 /nfs/dbraw/zinc/12/93/34/337129334.db2.gz MIWZSWDNRIUAMU-HZPDHXFCSA-N 1 1 305.466 3.634 10 0 DHAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nccn2C(C)C)C12CCCC2 ZINC000172670636 337129335 /nfs/dbraw/zinc/12/93/35/337129335.db2.gz MIWZSWDNRIUAMU-HZPDHXFCSA-N 1 1 305.466 3.634 10 0 DHAEMO CCn1c(C)nnc1C[N@@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000172596612 337130187 /nfs/dbraw/zinc/13/01/87/337130187.db2.gz QLHDRXZJRFTOJW-HNAYVOBHSA-N 1 1 312.461 3.888 10 0 DHAEMO CCn1c(C)nnc1C[N@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000172596612 337130188 /nfs/dbraw/zinc/13/01/88/337130188.db2.gz QLHDRXZJRFTOJW-HNAYVOBHSA-N 1 1 312.461 3.888 10 0 DHAEMO CCc1cccc(CC)c1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000176264208 337151591 /nfs/dbraw/zinc/15/15/91/337151591.db2.gz CFHOUOAVWSWRTH-KRWDZBQOSA-N 1 1 317.477 3.759 10 0 DHAEMO Cc1csc([C@H]2CCC[N@@H+](CCC(=O)c3ccccc3)C2)n1 ZINC000182181324 337187104 /nfs/dbraw/zinc/18/71/04/337187104.db2.gz FLSMLJYRRGSZME-INIZCTEOSA-N 1 1 314.454 3.904 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc2occ(C)c2c1 ZINC000187924453 337268903 /nfs/dbraw/zinc/26/89/03/337268903.db2.gz VMVIFDXMLDSXMP-OAHLLOKOSA-N 1 1 315.417 3.689 10 0 DHAEMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000191977708 337302453 /nfs/dbraw/zinc/30/24/53/337302453.db2.gz YMCJDQDTIUSVLO-UONOGXRCSA-N 1 1 324.490 3.751 10 0 DHAEMO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000191977708 337302454 /nfs/dbraw/zinc/30/24/54/337302454.db2.gz YMCJDQDTIUSVLO-UONOGXRCSA-N 1 1 324.490 3.751 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(F)cc4cccnc43)C2)c1 ZINC000106221285 337387106 /nfs/dbraw/zinc/38/71/06/337387106.db2.gz ZNKHBAWCBPGIMW-GOSISDBHSA-N 1 1 324.403 3.716 10 0 DHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000122729239 337396952 /nfs/dbraw/zinc/39/69/52/337396952.db2.gz LFTJWRFUTTZRKY-INIZCTEOSA-N 1 1 305.372 3.652 10 0 DHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000122729239 337396953 /nfs/dbraw/zinc/39/69/53/337396953.db2.gz LFTJWRFUTTZRKY-INIZCTEOSA-N 1 1 305.372 3.652 10 0 DHAEMO CC[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccc(Cl)cc1 ZINC000195052317 337464626 /nfs/dbraw/zinc/46/46/26/337464626.db2.gz BQAVBMVDCUCGAV-CQSZACIVSA-N 1 1 304.825 3.587 10 0 DHAEMO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1c(Cl)ccc(F)c1Cl ZINC000151229441 338162507 /nfs/dbraw/zinc/16/25/07/338162507.db2.gz NRJQSRMZDDUYGQ-XRGYYRRGSA-N 1 1 320.113 3.706 10 0 DHAEMO CCc1ccc([C@@H](C)[NH2+]Cc2ccsc2C(=O)OC)cc1 ZINC000154166782 338238027 /nfs/dbraw/zinc/23/80/27/338238027.db2.gz HBLLLSUGXKPUNC-GFCCVEGCSA-N 1 1 303.427 3.948 10 0 DHAEMO C[C@@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1nnc2n1CCCC2 ZINC000178075517 340446610 /nfs/dbraw/zinc/44/66/10/340446610.db2.gz AIWNLJYSOYBDBS-ABAIWWIYSA-N 1 1 316.836 3.606 10 0 DHAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)cc1C ZINC000245436290 341293792 /nfs/dbraw/zinc/29/37/92/341293792.db2.gz UXPNRUVESCLDJM-GJZGRUSLSA-N 1 1 321.852 3.739 10 0 DHAEMO c1ccc(-c2cccc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)c2)nc1 ZINC000245542874 341300938 /nfs/dbraw/zinc/30/09/38/341300938.db2.gz QGMVBKDPWOJTTI-UXHICEINSA-N 1 1 308.425 3.892 10 0 DHAEMO c1ccc(NC[C@@H]2CC[N@H+]([C@@H]3CCCc4ccccc43)C2)nc1 ZINC000246068605 341323618 /nfs/dbraw/zinc/32/36/18/341323618.db2.gz BHGQKBYVLQHZQG-QFBILLFUSA-N 1 1 307.441 3.893 10 0 DHAEMO COc1cccc2cc([C@H](C)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)oc21 ZINC000248025712 341372274 /nfs/dbraw/zinc/37/22/74/341372274.db2.gz OVXSJIXKXGUQOY-OFQRWUPVSA-N 1 1 316.445 3.821 10 0 DHAEMO COc1cccc2cc([C@H](C)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)oc21 ZINC000248025712 341372275 /nfs/dbraw/zinc/37/22/75/341372275.db2.gz OVXSJIXKXGUQOY-OFQRWUPVSA-N 1 1 316.445 3.821 10 0 DHAEMO CC(C)[C@@H](C)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000248057486 341372721 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CC(C)(C)OC(=O)CCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000181651565 518781231 /nfs/dbraw/zinc/78/12/31/518781231.db2.gz DUHPHRNGWUHSHO-CYBMUJFWSA-N 1 1 310.463 3.792 10 0 DHAEMO CC(C)(C)OC(=O)CCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000181651565 518781236 /nfs/dbraw/zinc/78/12/36/518781236.db2.gz DUHPHRNGWUHSHO-CYBMUJFWSA-N 1 1 310.463 3.792 10 0 DHAEMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2cnc3ccsc3c2)C1 ZINC000181282697 519692656 /nfs/dbraw/zinc/69/26/56/519692656.db2.gz OEIAXAYKLGIEPO-WWGRRREGSA-N 1 1 303.475 3.676 10 0 DHAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2cnc3ccsc3c2)C1 ZINC000181282697 519692658 /nfs/dbraw/zinc/69/26/58/519692658.db2.gz OEIAXAYKLGIEPO-WWGRRREGSA-N 1 1 303.475 3.676 10 0 DHAEMO CCc1ccccc1C[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000188915955 521828141 /nfs/dbraw/zinc/82/81/41/521828141.db2.gz NFMLWKULIUYKKN-MRXNPFEDSA-N 1 1 302.443 3.587 10 0 DHAEMO CCc1ccccc1C[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000188915955 521828150 /nfs/dbraw/zinc/82/81/50/521828150.db2.gz NFMLWKULIUYKKN-MRXNPFEDSA-N 1 1 302.443 3.587 10 0 DHAEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3ncc(C)s3)C2)n1 ZINC000180460649 522112372 /nfs/dbraw/zinc/11/23/72/522112372.db2.gz UKUCAOPKDVYIDH-GFCCVEGCSA-N 1 1 307.488 3.850 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181278390 523156871 /nfs/dbraw/zinc/15/68/71/523156871.db2.gz TWSXSKNDEIXLDO-CQSZACIVSA-N 1 1 321.428 3.519 10 0 DHAEMO C[NH+]1CCC(N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000161517650 523778748 /nfs/dbraw/zinc/77/87/48/523778748.db2.gz OUJJAFZHURBLAE-KRWDZBQOSA-N 1 1 300.446 3.507 10 0 DHAEMO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(OC(C)(C)C)cc1 ZINC000157225364 525617690 /nfs/dbraw/zinc/61/76/90/525617690.db2.gz MUYXZSPDBCSNOC-BBRMVZONSA-N 1 1 314.433 3.641 10 0 DHAEMO Cc1ccc([C@@H](C)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000158097884 525747829 /nfs/dbraw/zinc/74/78/29/525747829.db2.gz QILXDRXSJNNHJT-HZPDHXFCSA-N 1 1 316.445 3.940 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180187639 527188291 /nfs/dbraw/zinc/18/82/91/527188291.db2.gz DNFGYPYSEYULFS-JKSUJKDBSA-N 1 1 316.836 3.816 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1Cl ZINC000189079682 527449838 /nfs/dbraw/zinc/44/98/38/527449838.db2.gz XMIUGJMKTDTDGP-OAHLLOKOSA-N 1 1 307.800 3.649 10 0 DHAEMO CC(C)C[N@@H+](Cc1ccccn1)C[C@@]1(c2ccccc2)CCOC1 ZINC000055199583 563472673 /nfs/dbraw/zinc/47/26/73/563472673.db2.gz DSJFKXVJOVESDL-NRFANRHFSA-N 1 1 324.468 3.898 10 0 DHAEMO CC(C)[C@@H](C)[N@@H+](Cc1ccco1)Cc1cccn1-c1ncccn1 ZINC000055344071 563474290 /nfs/dbraw/zinc/47/42/90/563474290.db2.gz WZJHPAHZZPWULG-MRXNPFEDSA-N 1 1 324.428 3.907 10 0 DHAEMO COCC[N@H+](Cc1ccc(C)cc1)Cc1ccnc(C(C)C)n1 ZINC000055404833 563475368 /nfs/dbraw/zinc/47/53/68/563475368.db2.gz DZROBDDUIYBGAF-UHFFFAOYSA-N 1 1 313.445 3.557 10 0 DHAEMO COCC[N@@H+](Cc1ccc(C)cc1)Cc1ccnc(C(C)C)n1 ZINC000055404833 563475371 /nfs/dbraw/zinc/47/53/71/563475371.db2.gz DZROBDDUIYBGAF-UHFFFAOYSA-N 1 1 313.445 3.557 10 0 DHAEMO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593064 563495858 /nfs/dbraw/zinc/49/58/58/563495858.db2.gz IBDBUXNMQVARBX-YQQAZPJKSA-N 1 1 318.461 3.953 10 0 DHAEMO c1ccc2[nH]c(SC[C@H]3CCC[N@H+]4CCCC[C@@H]34)nc2c1 ZINC000033435711 563724509 /nfs/dbraw/zinc/72/45/09/563724509.db2.gz AVHMUPJYYXTAQW-CJNGLKHVSA-N 1 1 301.459 3.920 10 0 DHAEMO O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3ccsc3)[N@H+]3CCC[C@@]123 ZINC000012570493 563801951 /nfs/dbraw/zinc/80/19/51/563801951.db2.gz QGSRHXLFRLJJTD-IEZWGBDMSA-N 1 1 324.449 3.691 10 0 DHAEMO CCCCN(C(=O)c1ccc(F)cc1)C1=C[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000003148514 563920772 /nfs/dbraw/zinc/92/07/72/563920772.db2.gz FPNVTFWFUHBNPU-DLBZAZTESA-N 1 1 316.420 3.818 10 0 DHAEMO CCn1c2ncccc2nc1[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000065285331 568419425 /nfs/dbraw/zinc/41/94/25/568419425.db2.gz GJRXYPAQWZXPPO-HNNXBMFYSA-N 1 1 324.403 3.580 10 0 DHAEMO c1csc(C2=CC[N@@H+](Cc3c[nH]nc3-c3cccnc3)CC2)c1 ZINC000093533808 1032542346 /nfs/dbraw/zinc/54/23/46/1032542346.db2.gz NYLQULLKZVNQKC-UHFFFAOYSA-N 1 1 322.437 3.823 10 0 DHAEMO COc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3nccn3C(F)F)C2)cc1 ZINC000076390363 1030790704 /nfs/dbraw/zinc/79/07/04/1030790704.db2.gz BRUTYWSNOPWNCJ-OCCSQVGLSA-N 1 1 321.371 3.665 10 0 DHAEMO COc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3nccn3C(F)F)C2)cc1 ZINC000076390363 1030790711 /nfs/dbraw/zinc/79/07/11/1030790711.db2.gz BRUTYWSNOPWNCJ-OCCSQVGLSA-N 1 1 321.371 3.665 10 0 DHAEMO CCC[N@H+]1CCCN(C(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000078671505 1031011678 /nfs/dbraw/zinc/01/16/78/1031011678.db2.gz HJJHRGCVCLAKQT-UHFFFAOYSA-N 1 1 317.477 3.934 10 0 DHAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000088559933 185257999 /nfs/dbraw/zinc/25/79/99/185257999.db2.gz PHIPLCSUYCYSCL-SMDDNHRTSA-N 1 1 304.825 3.680 10 0 DHAEMO CC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccc(Cl)cc1 ZINC000090224906 185287496 /nfs/dbraw/zinc/28/74/96/185287496.db2.gz SAUILYNAKMISNS-GJZGRUSLSA-N 1 1 304.825 3.816 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(F)c(Cl)c3)C2)no1 ZINC000092813880 185343309 /nfs/dbraw/zinc/34/33/09/185343309.db2.gz MQAKYHSSHSAAMP-GFCCVEGCSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)no1 ZINC000092813880 185343310 /nfs/dbraw/zinc/34/33/10/185343310.db2.gz MQAKYHSSHSAAMP-GFCCVEGCSA-N 1 1 323.799 3.625 10 0 DHAEMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CN(C)C(=O)O3)CC2)cc1 ZINC000072164853 191065533 /nfs/dbraw/zinc/06/55/33/191065533.db2.gz AUYCQGRMOLGPHH-IBGZPJMESA-N 1 1 316.445 3.617 10 0 DHAEMO CCOC(=O)c1c[nH+]c2cc(OCC)ccc2c1N(CC)CC ZINC000072237163 191081152 /nfs/dbraw/zinc/08/11/52/191081152.db2.gz MUQZFPGWAIICRH-UHFFFAOYSA-N 1 1 316.401 3.656 10 0 DHAEMO CCC[C@](CC)(c1c[nH+]c(N)c(C)c1)n1nnc2ccccc21 ZINC000005311187 181228554 /nfs/dbraw/zinc/22/85/54/181228554.db2.gz HFYJGDASCZAWLT-GOSISDBHSA-N 1 1 309.417 3.671 10 0 DHAEMO CCOc1cc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)ccc1OC ZINC000093438154 193251603 /nfs/dbraw/zinc/25/16/03/193251603.db2.gz NRIADAWNGRAYJO-INIZCTEOSA-N 1 1 315.417 3.544 10 0 DHAEMO CCOc1cc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)ccc1OC ZINC000093438154 193251605 /nfs/dbraw/zinc/25/16/05/193251605.db2.gz NRIADAWNGRAYJO-INIZCTEOSA-N 1 1 315.417 3.544 10 0 DHAEMO CCC[NH+](CCC)[C@H](CN)c1ccc(Br)s1 ZINC000019393091 182121096 /nfs/dbraw/zinc/12/10/96/182121096.db2.gz JKXOPCJGLHFTKD-SNVBAGLBSA-N 1 1 305.285 3.632 10 0 DHAEMO C[N@@H+]([C@@H](CN)c1cccc(Br)c1)C1CCCCC1 ZINC000019516696 182127364 /nfs/dbraw/zinc/12/73/64/182127364.db2.gz KGEMJHYQFCJGIZ-HNNXBMFYSA-N 1 1 311.267 3.713 10 0 DHAEMO CN([C@@H](C[NH3+])c1cccc(Br)c1)C1CCCCC1 ZINC000019516696 182127367 /nfs/dbraw/zinc/12/73/67/182127367.db2.gz KGEMJHYQFCJGIZ-HNNXBMFYSA-N 1 1 311.267 3.713 10 0 DHAEMO C[N@@H+]([C@H](CN)c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000020081712 182185440 /nfs/dbraw/zinc/18/54/40/182185440.db2.gz KFLFKWVVXNXUOQ-OAHLLOKOSA-N 1 1 300.368 3.970 10 0 DHAEMO CN([C@H](C[NH3+])c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000020081712 182185442 /nfs/dbraw/zinc/18/54/42/182185442.db2.gz KFLFKWVVXNXUOQ-OAHLLOKOSA-N 1 1 300.368 3.970 10 0 DHAEMO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)c(OC)c(Cl)c1 ZINC000020967774 182257321 /nfs/dbraw/zinc/25/73/21/182257321.db2.gz GWGXUNQMBHFOIL-GFCCVEGCSA-N 1 1 317.260 3.576 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CNCc1cc(Cl)c(OC)c(Cl)c1 ZINC000020967774 182257323 /nfs/dbraw/zinc/25/73/23/182257323.db2.gz GWGXUNQMBHFOIL-GFCCVEGCSA-N 1 1 317.260 3.576 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1cccnc1 ZINC000022931686 182342222 /nfs/dbraw/zinc/34/22/22/182342222.db2.gz AOSUEMOFMUFXPO-QGZVFWFLSA-N 1 1 315.486 3.630 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)CC1CCCC1 ZINC000022931677 182342654 /nfs/dbraw/zinc/34/26/54/182342654.db2.gz FSETWHNDOFCWNN-LJQANCHMSA-N 1 1 301.478 3.558 10 0 DHAEMO CCN1CCC[C@@H]1C[N@@H+](Cc1cccnc1)CC1CCCC1 ZINC000022931677 182342656 /nfs/dbraw/zinc/34/26/56/182342656.db2.gz FSETWHNDOFCWNN-LJQANCHMSA-N 1 1 301.478 3.558 10 0 DHAEMO CCN1CCC[C@@H]1C[N@H+](Cc1cccnc1)CC1CCCC1 ZINC000022931677 182342660 /nfs/dbraw/zinc/34/26/60/182342660.db2.gz FSETWHNDOFCWNN-LJQANCHMSA-N 1 1 301.478 3.558 10 0 DHAEMO C[C@H]1CCC[N@@H+](CC[C@H](O)c2ccc(Br)cc2)C1 ZINC000041145227 183175874 /nfs/dbraw/zinc/17/58/74/183175874.db2.gz ZZYHSYLTVRWVEJ-WFASDCNBSA-N 1 1 312.251 3.605 10 0 DHAEMO CCCCC[N@H+](C(C)C)[C@H](CN)c1ccc(Br)o1 ZINC000042555095 183284230 /nfs/dbraw/zinc/28/42/30/183284230.db2.gz SLFFKSFJKPLGRD-GFCCVEGCSA-N 1 1 317.271 3.943 10 0 DHAEMO CCCCC[N@@H+](C(C)C)[C@H](CN)c1ccc(Br)o1 ZINC000042555095 183284232 /nfs/dbraw/zinc/28/42/32/183284232.db2.gz SLFFKSFJKPLGRD-GFCCVEGCSA-N 1 1 317.271 3.943 10 0 DHAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@@H](CN)c1cccc(Br)c1 ZINC000042563518 183285392 /nfs/dbraw/zinc/28/53/92/183285392.db2.gz SRQOLQZZAOQNSX-DOMZBBRYSA-N 1 1 313.283 3.815 10 0 DHAEMO CC(C)C[C@@H](C)N(C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042563518 183285394 /nfs/dbraw/zinc/28/53/94/183285394.db2.gz SRQOLQZZAOQNSX-DOMZBBRYSA-N 1 1 313.283 3.815 10 0 DHAEMO CCC[N@@H+](C(C)C)[C@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952871 183322038 /nfs/dbraw/zinc/32/20/38/183322038.db2.gz WSMBTBZDWUPJFH-DOMZBBRYSA-N 1 1 313.283 3.958 10 0 DHAEMO C[C@@H](N)[C@H](c1cccc(Br)c1)[N@@H+](C)C1CCCC1 ZINC000043020337 183328454 /nfs/dbraw/zinc/32/84/54/183328454.db2.gz LUUVWZFOCVTCHI-IAQYHMDHSA-N 1 1 311.267 3.712 10 0 DHAEMO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)C1CCCC1 ZINC000043020337 183328455 /nfs/dbraw/zinc/32/84/55/183328455.db2.gz LUUVWZFOCVTCHI-IAQYHMDHSA-N 1 1 311.267 3.712 10 0 DHAEMO CCC[N@H+]([C@@H](c1cccc(Br)c1)[C@@H](C)N)C1CC1 ZINC000043020359 183328705 /nfs/dbraw/zinc/32/87/05/183328705.db2.gz KSAYXUPJZIEVLU-IAQYHMDHSA-N 1 1 311.267 3.712 10 0 DHAEMO CCC[N@@H+]([C@@H](c1cccc(Br)c1)[C@@H](C)N)C1CC1 ZINC000043020359 183328707 /nfs/dbraw/zinc/32/87/07/183328707.db2.gz KSAYXUPJZIEVLU-IAQYHMDHSA-N 1 1 311.267 3.712 10 0 DHAEMO CC[C@H](C)[N@@H+](CC)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020403 183328810 /nfs/dbraw/zinc/32/88/10/183328810.db2.gz HGEBNLODJUTFLT-YWPYICTPSA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@H](C)N(CC)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020403 183328818 /nfs/dbraw/zinc/32/88/18/183328818.db2.gz HGEBNLODJUTFLT-YWPYICTPSA-N 1 1 313.283 3.958 10 0 DHAEMO CC(C)CC[N@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043021228 183329534 /nfs/dbraw/zinc/32/95/34/183329534.db2.gz DFEZPEUWZVCDOX-IUODEOHRSA-N 1 1 313.283 3.815 10 0 DHAEMO CC(C)CC[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043021228 183329535 /nfs/dbraw/zinc/32/95/35/183329535.db2.gz DFEZPEUWZVCDOX-IUODEOHRSA-N 1 1 313.283 3.815 10 0 DHAEMO CCc1cccc(CC)c1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000104976717 194061711 /nfs/dbraw/zinc/06/17/11/194061711.db2.gz FOVHWDQCCFLYIC-QGZVFWFLSA-N 1 1 315.461 3.513 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC000105851211 194146883 /nfs/dbraw/zinc/14/68/83/194146883.db2.gz BACRYYGKQYLNLD-ZDUSSCGKSA-N 1 1 317.820 3.576 10 0 DHAEMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000105899331 194164909 /nfs/dbraw/zinc/16/49/09/194164909.db2.gz NESZUWDVQGDJOV-DOMZBBRYSA-N 1 1 324.350 3.695 10 0 DHAEMO CC(C)C[NH2+]Cc1c[nH]c(-c2ccc(Br)cc2)n1 ZINC000062821634 184253885 /nfs/dbraw/zinc/25/38/85/184253885.db2.gz NACYFMBCPBLIMC-UHFFFAOYSA-N 1 1 308.223 3.585 10 0 DHAEMO CC1(C)CCC[N@H+]1CC[C@@H](O)c1ccccc1Br ZINC000063073608 184269230 /nfs/dbraw/zinc/26/92/30/184269230.db2.gz FPMZAYNPPZUOQS-CQSZACIVSA-N 1 1 312.251 3.747 10 0 DHAEMO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccnc2ccccc12)C1CC1 ZINC000065497477 184355046 /nfs/dbraw/zinc/35/50/46/184355046.db2.gz ZBATYIFBMJISDQ-UHFFFAOYSA-N 1 1 320.440 3.750 10 0 DHAEMO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(Cl)s2)c2ccccc21 ZINC000071306565 331666906 /nfs/dbraw/zinc/66/69/06/331666906.db2.gz ZQLZLMWTCNFNKR-GFCCVEGCSA-N 1 1 306.818 3.599 10 0 DHAEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000188648205 333051124 /nfs/dbraw/zinc/05/11/24/333051124.db2.gz USPMXLYZHRHEKM-HNNXBMFYSA-N 1 1 309.523 3.641 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(F)ccc3Cl)C2)c1 ZINC000188966373 333058739 /nfs/dbraw/zinc/05/87/39/333058739.db2.gz BMTSJCRPXNXNCI-HNNXBMFYSA-N 1 1 307.800 3.821 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(F)ccc3Cl)C2)c1 ZINC000188966373 333058741 /nfs/dbraw/zinc/05/87/41/333058741.db2.gz BMTSJCRPXNXNCI-HNNXBMFYSA-N 1 1 307.800 3.821 10 0 DHAEMO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1ccc(C(C)(C)C)cc1 ZINC000178452025 333138976 /nfs/dbraw/zinc/13/89/76/333138976.db2.gz JKFOMBAUOXBIEB-ZDUSSCGKSA-N 1 1 312.461 3.841 10 0 DHAEMO O=C(c1ccc(Cl)cc1Cl)N1CC[NH2+]Cc2ccccc21 ZINC000062818454 333337465 /nfs/dbraw/zinc/33/74/65/333337465.db2.gz KPNJLQQZQDDNCM-UHFFFAOYSA-N 1 1 321.207 3.743 10 0 DHAEMO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2Cl)C1 ZINC000101563168 334327510 /nfs/dbraw/zinc/32/75/10/334327510.db2.gz LIMMLJHMCFCFHA-UONOGXRCSA-N 1 1 308.853 3.782 10 0 DHAEMO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000164761292 334666175 /nfs/dbraw/zinc/66/61/75/334666175.db2.gz NYYPYRDJBADYLM-JQWIXIFHSA-N 1 1 319.478 3.526 10 0 DHAEMO C(c1noc([C@H]2CCC[N@H+]2C2CCOCC2)n1)C1CCCCC1 ZINC000333463241 336204095 /nfs/dbraw/zinc/20/40/95/336204095.db2.gz QANISJFMJGZUNN-MRXNPFEDSA-N 1 1 319.449 3.508 10 0 DHAEMO CCS[C@H]1CC[C@]1(O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000301497530 336310501 /nfs/dbraw/zinc/31/05/01/336310501.db2.gz UYQQXAOOMSNEQJ-HOTGVXAUSA-N 1 1 322.861 3.947 10 0 DHAEMO CCOC(=O)[C@@]1(C)CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000301764301 336328361 /nfs/dbraw/zinc/32/83/61/336328361.db2.gz NBSCZAWBZLGYRW-KRWDZBQOSA-N 1 1 318.804 3.668 10 0 DHAEMO Cc1cc(N[C@@H](C)c2cnn(Cc3ccccc3)c2)nc(C)[nH+]1 ZINC000301851894 336334181 /nfs/dbraw/zinc/33/41/81/336334181.db2.gz PRYMKBZCBLPNLN-AWEZNQCLSA-N 1 1 307.401 3.511 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000122778461 337023796 /nfs/dbraw/zinc/02/37/96/337023796.db2.gz YHFLSQSUHPYUFI-GOSISDBHSA-N 1 1 323.440 3.650 10 0 DHAEMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C12CCCC2 ZINC000172670152 337129428 /nfs/dbraw/zinc/12/94/28/337129428.db2.gz PSRAURWHLXTGIS-IRXDYDNUSA-N 1 1 305.466 3.634 10 0 DHAEMO Cc1csc([C@H]2CCC[N@@H+](Cc3cccc(Cl)n3)C2)n1 ZINC000173602397 337136770 /nfs/dbraw/zinc/13/67/70/337136770.db2.gz GGJDBQGDPFNIMJ-LBPRGKRZSA-N 1 1 307.850 3.880 10 0 DHAEMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1nc2ccccc2o1)c1ccccc1 ZINC000174378938 337141259 /nfs/dbraw/zinc/14/12/59/337141259.db2.gz JGEFJEZXXXYJJM-AEFFLSMTSA-N 1 1 322.408 3.916 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000176985631 337154027 /nfs/dbraw/zinc/15/40/27/337154027.db2.gz NCSHOFANTVBVRF-AWEZNQCLSA-N 1 1 320.820 3.643 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCSc1ccc(F)cc1 ZINC000178304628 337162092 /nfs/dbraw/zinc/16/20/92/337162092.db2.gz UXMHMAJBDSEBDR-INIZCTEOSA-N 1 1 319.449 3.587 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000178107461 337162239 /nfs/dbraw/zinc/16/22/39/337162239.db2.gz WCOIZMHUHIAJSZ-MRXNPFEDSA-N 1 1 317.477 3.825 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000178321748 337163743 /nfs/dbraw/zinc/16/37/43/337163743.db2.gz XJUFGYHMZTURJP-INIZCTEOSA-N 1 1 323.362 3.875 10 0 DHAEMO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000178610017 337165427 /nfs/dbraw/zinc/16/54/27/337165427.db2.gz JGSHWISZUIIUIQ-AUUYWEPGSA-N 1 1 306.413 3.564 10 0 DHAEMO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000178610003 337165483 /nfs/dbraw/zinc/16/54/83/337165483.db2.gz JGSHWISZUIIUIQ-KUHUBIRLSA-N 1 1 306.413 3.564 10 0 DHAEMO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cnn2ccccc12 ZINC000179378313 337167569 /nfs/dbraw/zinc/16/75/69/337167569.db2.gz MMDJLACJZJTTQD-LJQANCHMSA-N 1 1 321.424 3.686 10 0 DHAEMO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1Cc1cnn2ccccc12 ZINC000179378313 337167570 /nfs/dbraw/zinc/16/75/70/337167570.db2.gz MMDJLACJZJTTQD-LJQANCHMSA-N 1 1 321.424 3.686 10 0 DHAEMO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1Cc1cnn2ccccc12 ZINC000179378304 337167702 /nfs/dbraw/zinc/16/77/02/337167702.db2.gz MMDJLACJZJTTQD-IBGZPJMESA-N 1 1 321.424 3.686 10 0 DHAEMO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1Cc1cnn2ccccc12 ZINC000179378304 337167703 /nfs/dbraw/zinc/16/77/03/337167703.db2.gz MMDJLACJZJTTQD-IBGZPJMESA-N 1 1 321.424 3.686 10 0 DHAEMO CCSc1cccc(C[NH2+][C@H](C)c2nnc3n2CCCC3)c1 ZINC000185558164 337249099 /nfs/dbraw/zinc/24/90/99/337249099.db2.gz HYKSYWVCCWTLGO-CYBMUJFWSA-N 1 1 316.474 3.577 10 0 DHAEMO c1cc(C2CC[NH+](CCSCc3ccccc3)CC2)[nH]n1 ZINC000186420381 337256097 /nfs/dbraw/zinc/25/60/97/337256097.db2.gz LAKLXKOOTJPQLY-UHFFFAOYSA-N 1 1 301.459 3.523 10 0 DHAEMO Cc1ccc(C)c(C[N@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)c1 ZINC000188138221 337271007 /nfs/dbraw/zinc/27/10/07/337271007.db2.gz ZHJKSUILFARBHZ-MSOLQXFVSA-N 1 1 301.455 3.573 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC000188705204 337274433 /nfs/dbraw/zinc/27/44/33/337274433.db2.gz YIBPLZUHUBVKEM-GOSISDBHSA-N 1 1 300.446 3.510 10 0 DHAEMO COc1ccnc(C[N@H+](C)[C@@H](C)c2ccc(Cl)cc2)c1OC ZINC000190315065 337286547 /nfs/dbraw/zinc/28/65/47/337286547.db2.gz LABKCTCDJZTQGL-LBPRGKRZSA-N 1 1 320.820 3.945 10 0 DHAEMO COc1ccnc(C[N@@H+](C)[C@@H](C)c2ccc(Cl)cc2)c1OC ZINC000190315065 337286548 /nfs/dbraw/zinc/28/65/48/337286548.db2.gz LABKCTCDJZTQGL-LBPRGKRZSA-N 1 1 320.820 3.945 10 0 DHAEMO CCc1nnc([C@@H]2C[N@H+](CC[C@@H](C)CCC=C(C)C)CCO2)[nH]1 ZINC000193232975 337309583 /nfs/dbraw/zinc/30/95/83/337309583.db2.gz NYHSRKAWHKOTNO-HOTGVXAUSA-N 1 1 320.481 3.513 10 0 DHAEMO CCc1nnc([C@@H]2C[N@@H+](CC[C@@H](C)CCC=C(C)C)CCO2)[nH]1 ZINC000193232975 337309584 /nfs/dbraw/zinc/30/95/84/337309584.db2.gz NYHSRKAWHKOTNO-HOTGVXAUSA-N 1 1 320.481 3.513 10 0 DHAEMO Cc1[nH]c2[nH+]ccc(N3CCOCC3)c2c1-c1cccc(F)c1 ZINC000584620087 337371894 /nfs/dbraw/zinc/37/18/94/337371894.db2.gz GLFPHQXWXSSVFY-UHFFFAOYSA-N 1 1 311.360 3.514 10 0 DHAEMO CC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000584637149 337379340 /nfs/dbraw/zinc/37/93/40/337379340.db2.gz YGJDNTHRMJACHN-UXHICEINSA-N 1 1 309.409 3.564 10 0 DHAEMO C[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1nnc2n1CCCC2 ZINC000130880981 337434743 /nfs/dbraw/zinc/43/47/43/337434743.db2.gz SZTYMVDFYVELCG-GXTWGEPZSA-N 1 1 314.458 3.502 10 0 DHAEMO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)c1nnc2n1CCCC2 ZINC000131096705 337436174 /nfs/dbraw/zinc/43/61/74/337436174.db2.gz PAUXWIDNTLIBGA-LSDHHAIUSA-N 1 1 324.472 3.905 10 0 DHAEMO Cn1c(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)nnc1C1CC1 ZINC000195055952 337464674 /nfs/dbraw/zinc/46/46/74/337464674.db2.gz UYFZUASPTNPKAL-MRXNPFEDSA-N 1 1 316.836 3.587 10 0 DHAEMO Brc1cc(C[NH2+][C@@H]2COc3ccccc32)cs1 ZINC000070070185 337546302 /nfs/dbraw/zinc/54/63/02/337546302.db2.gz GQLQGFXJAJVXCB-LLVKDONJSA-N 1 1 310.216 3.734 10 0 DHAEMO C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1nnc2n1CCCC2 ZINC000247220172 337558441 /nfs/dbraw/zinc/55/84/41/337558441.db2.gz WJGQUWROQACUHF-CPUCHLNUSA-N 1 1 310.445 3.904 10 0 DHAEMO CCSc1ccccc1[C@H](C)[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000090223720 337879338 /nfs/dbraw/zinc/87/93/38/337879338.db2.gz ASBXNDKCJRJDCR-WFASDCNBSA-N 1 1 316.474 3.884 10 0 DHAEMO CC(C)c1nn(C)cc1N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000304070298 340359554 /nfs/dbraw/zinc/35/95/54/340359554.db2.gz DFVINNQZESQMHA-WBVHZDCISA-N 1 1 312.461 3.618 10 0 DHAEMO CC(C)OCCC[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134847616 341225192 /nfs/dbraw/zinc/22/51/92/341225192.db2.gz FFBLSNYPEUQCDK-KRWDZBQOSA-N 1 1 307.409 3.678 10 0 DHAEMO Cc1cc(C[C@H](C)[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)n[nH]1 ZINC000246308102 341341485 /nfs/dbraw/zinc/34/14/85/341341485.db2.gz DNXPLYWXLRWIIW-FTLABTOESA-N 1 1 301.409 3.701 10 0 DHAEMO CN(CC[N@H+]1CCCC[C@H]1c1nccs1)c1ccccc1 ZINC000246374718 341345256 /nfs/dbraw/zinc/34/52/56/341345256.db2.gz RCDBLJHCXVUMPZ-INIZCTEOSA-N 1 1 301.459 3.807 10 0 DHAEMO CC[N@@H+]1CCC[C@H](N[C@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000247097778 341361009 /nfs/dbraw/zinc/36/10/09/341361009.db2.gz PWHJXHMMGHNKOB-YPMHNXCESA-N 1 1 316.367 3.562 10 0 DHAEMO CC[N@H+]1CCC[C@H](N[C@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000247097778 341361010 /nfs/dbraw/zinc/36/10/10/341361010.db2.gz PWHJXHMMGHNKOB-YPMHNXCESA-N 1 1 316.367 3.562 10 0 DHAEMO C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccn1 ZINC000248405162 341376857 /nfs/dbraw/zinc/37/68/57/341376857.db2.gz ANGFFOZOGBDJOQ-XFIJJGBISA-N 1 1 321.468 3.643 10 0 DHAEMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000248628500 341382122 /nfs/dbraw/zinc/38/21/22/341382122.db2.gz ZITIWCPPVYYTBQ-IXDOHACOSA-N 1 1 308.510 3.639 10 0 DHAEMO CCCCOC[C@H](O)C[N@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000248650192 341382890 /nfs/dbraw/zinc/38/28/90/341382890.db2.gz LSQKYHZTNWHPFQ-SJORKVTESA-N 1 1 309.450 3.683 10 0 DHAEMO CCCCOC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000248656552 341383007 /nfs/dbraw/zinc/38/30/07/341383007.db2.gz RRCSQEMYUZQEON-IRXDYDNUSA-N 1 1 311.853 3.655 10 0 DHAEMO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](CC[C@H](C)CCC=C(C)C)C1 ZINC000248661908 341383733 /nfs/dbraw/zinc/38/37/33/341383733.db2.gz FVXZEEMAHMQZRA-DJIMGWMZSA-N 1 1 321.465 3.912 10 0 DHAEMO Cc1csc([C@H]2C[N@@H+](C[C@H]3C(C)=CCC[C@@H]3C)CCO2)n1 ZINC000249062902 341393029 /nfs/dbraw/zinc/39/30/29/341393029.db2.gz IFTPTIKCXBRJQD-CWRNSKLLSA-N 1 1 306.475 3.817 10 0 DHAEMO C/C(=C\c1ccc(C)cc1)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000182305924 518438236 /nfs/dbraw/zinc/43/82/36/518438236.db2.gz DXPKWNDQVOIWIT-XAVZPLJISA-N 1 1 323.440 3.594 10 0 DHAEMO CC(C)(C)n1cc(C[NH2+][C@@H]2c3ccccc3CCC2(C)C)nn1 ZINC000191472224 519161534 /nfs/dbraw/zinc/16/15/34/519161534.db2.gz CRFSBOQXPVPAHG-QGZVFWFLSA-N 1 1 312.461 3.836 10 0 DHAEMO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc3ccccc3c2)n1C ZINC000181507929 519887861 /nfs/dbraw/zinc/88/78/61/519887861.db2.gz JDMXBRUMPBBJNX-AWEZNQCLSA-N 1 1 308.429 3.943 10 0 DHAEMO CC(C)n1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)cn1 ZINC000180241189 519950226 /nfs/dbraw/zinc/95/02/26/519950226.db2.gz IXARQAWALIPTAB-OALUTQOASA-N 1 1 313.445 3.552 10 0 DHAEMO CCCc1nc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cs1 ZINC000181721856 521517244 /nfs/dbraw/zinc/51/72/44/521517244.db2.gz BBWDKJHSTFACJY-GFCCVEGCSA-N 1 1 318.442 3.718 10 0 DHAEMO CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171276 522930742 /nfs/dbraw/zinc/93/07/42/522930742.db2.gz YXGUHGFTAXIDIE-WMLDXEAASA-N 1 1 318.852 3.795 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182568767 523152905 /nfs/dbraw/zinc/15/29/05/523152905.db2.gz DXJYKVHPSVXKIG-QGZVFWFLSA-N 1 1 318.852 3.891 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000180788585 523156200 /nfs/dbraw/zinc/15/62/00/523156200.db2.gz QREJMNPPCFNOHQ-KRWDZBQOSA-N 1 1 300.450 3.792 10 0 DHAEMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c(C)c1 ZINC000190473747 524468048 /nfs/dbraw/zinc/46/80/48/524468048.db2.gz LSKCFDOXGOTJDR-FQEVSTJZSA-N 1 1 323.484 3.652 10 0 DHAEMO Cc1cc2cc(NC(=O)[C@H](Cc3ccccc3)[NH+](C)C)ccc2[nH]1 ZINC000106905422 525646402 /nfs/dbraw/zinc/64/64/02/525646402.db2.gz FTKJEIXTPFAZMQ-IBGZPJMESA-N 1 1 321.424 3.588 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)o1 ZINC000182598298 525734824 /nfs/dbraw/zinc/73/48/24/525734824.db2.gz JFDGYSNDHZLPQN-OAHLLOKOSA-N 1 1 314.429 3.825 10 0 DHAEMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)nc2c1 ZINC000130843692 526106566 /nfs/dbraw/zinc/10/65/66/526106566.db2.gz BUAQYALECNMDLC-MRXNPFEDSA-N 1 1 306.413 3.646 10 0 DHAEMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)[nH]c2c1 ZINC000130843692 526106573 /nfs/dbraw/zinc/10/65/73/526106573.db2.gz BUAQYALECNMDLC-MRXNPFEDSA-N 1 1 306.413 3.646 10 0 DHAEMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)[nH]c2c1 ZINC000130843692 526106581 /nfs/dbraw/zinc/10/65/81/526106581.db2.gz BUAQYALECNMDLC-MRXNPFEDSA-N 1 1 306.413 3.646 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3c(F)cccc3Cl)C2)c1 ZINC000106225670 526266235 /nfs/dbraw/zinc/26/62/35/526266235.db2.gz JHASPMNXJYEXTP-CYBMUJFWSA-N 1 1 307.800 3.821 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3c(F)cccc3Cl)C2)c1 ZINC000106225670 526266238 /nfs/dbraw/zinc/26/62/38/526266238.db2.gz JHASPMNXJYEXTP-CYBMUJFWSA-N 1 1 307.800 3.821 10 0 DHAEMO Cn1cc([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)o3)C2)cn1 ZINC000128352490 527301843 /nfs/dbraw/zinc/30/18/43/527301843.db2.gz UKFHWXXADWMQLZ-MRXNPFEDSA-N 1 1 307.397 3.670 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1F ZINC000180132044 527450385 /nfs/dbraw/zinc/45/03/85/527450385.db2.gz UHGDXASAJHORBN-CQSZACIVSA-N 1 1 307.800 3.649 10 0 DHAEMO OC[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@H]1c1ccsc1 ZINC000188058613 527594848 /nfs/dbraw/zinc/59/48/48/527594848.db2.gz QXSJOFFGCXBJOS-HOTGVXAUSA-N 1 1 323.408 3.894 10 0 DHAEMO OC[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@H]1c1ccsc1 ZINC000188120920 527595781 /nfs/dbraw/zinc/59/57/81/527595781.db2.gz DXIRANUNOQREHB-WMZOPIPTSA-N 1 1 324.449 3.504 10 0 DHAEMO Cc1ccc(C[NH2+]Cc2sncc2Br)s1 ZINC000669379922 563870106 /nfs/dbraw/zinc/87/01/06/563870106.db2.gz MSVBNPYKEVCAKT-UHFFFAOYSA-N 1 1 303.250 3.565 10 0 DHAEMO O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1cc[nH]c1)c1cccs1 ZINC000091891851 1032462738 /nfs/dbraw/zinc/46/27/38/1032462738.db2.gz GNCAXEDGQMLKCX-HOTGVXAUSA-N 1 1 304.459 3.945 10 0 DHAEMO C[C@@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)c1cnccn1 ZINC000090461111 185297546 /nfs/dbraw/zinc/29/75/46/185297546.db2.gz NEEVPXUVFILXTJ-GDBMZVCRSA-N 1 1 309.413 3.964 10 0 DHAEMO O=C1CC[N@H+](CCc2ccccc2)C[C@H]1CCc1ccccc1 ZINC000090659447 185308303 /nfs/dbraw/zinc/30/83/03/185308303.db2.gz MCJHCPCZIBZRPH-HXUWFJFHSA-N 1 1 307.437 3.753 10 0 DHAEMO O=C1CC[N@@H+](CCc2ccccc2)C[C@H]1CCc1ccccc1 ZINC000090659447 185308304 /nfs/dbraw/zinc/30/83/04/185308304.db2.gz MCJHCPCZIBZRPH-HXUWFJFHSA-N 1 1 307.437 3.753 10 0 DHAEMO Cc1ccsc1C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000092812169 185343599 /nfs/dbraw/zinc/34/35/99/185343599.db2.gz DGQKHWFMOQALSP-CQSZACIVSA-N 1 1 316.474 3.712 10 0 DHAEMO Cc1ccsc1C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000092812169 185343600 /nfs/dbraw/zinc/34/36/00/185343600.db2.gz DGQKHWFMOQALSP-CQSZACIVSA-N 1 1 316.474 3.712 10 0 DHAEMO CCn1cc(C2CC[NH+](Cc3c(F)cccc3F)CC2)cn1 ZINC000092809386 185343099 /nfs/dbraw/zinc/34/30/99/185343099.db2.gz MFZCSXROTOUEKN-UHFFFAOYSA-N 1 1 305.372 3.561 10 0 DHAEMO C[C@H](c1cccs1)[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000092901936 185348298 /nfs/dbraw/zinc/34/82/98/185348298.db2.gz PDMXFMMSOQPSNY-CHWSQXEVSA-N 1 1 310.463 3.750 10 0 DHAEMO COc1ccc([C@@H](C)[NH2+]Cc2nc(C)c(C)s2)cc1OC ZINC000091959987 193132191 /nfs/dbraw/zinc/13/21/91/193132191.db2.gz CFDGLOFJRDUSNH-LLVKDONJSA-N 1 1 306.431 3.628 10 0 DHAEMO COc1ccc([C@H](C)[NH2+]Cc2nc(C)c(C)s2)cc1OC ZINC000091959986 193132791 /nfs/dbraw/zinc/13/27/91/193132791.db2.gz CFDGLOFJRDUSNH-NSHDSACASA-N 1 1 306.431 3.628 10 0 DHAEMO C[N@@H+]([C@H](CN)c1cccc(Br)c1)C1CCCCC1 ZINC000019516698 182127526 /nfs/dbraw/zinc/12/75/26/182127526.db2.gz KGEMJHYQFCJGIZ-OAHLLOKOSA-N 1 1 311.267 3.713 10 0 DHAEMO CN([C@H](C[NH3+])c1cccc(Br)c1)C1CCCCC1 ZINC000019516698 182127527 /nfs/dbraw/zinc/12/75/27/182127527.db2.gz KGEMJHYQFCJGIZ-OAHLLOKOSA-N 1 1 311.267 3.713 10 0 DHAEMO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc[nH]n2)cc1Br ZINC000037907995 182935650 /nfs/dbraw/zinc/93/56/50/182935650.db2.gz KDNYVPTVNWINDN-UWVGGRQHSA-N 1 1 324.222 3.593 10 0 DHAEMO NC(=S)CC[N@@H+](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000042546196 183283435 /nfs/dbraw/zinc/28/34/35/183283435.db2.gz JZOLIZLTOPLEIE-UHFFFAOYSA-N 1 1 303.258 3.634 10 0 DHAEMO CC(C)C[N@@H+]([C@H](CN)c1cccc(Br)c1)C1CC1 ZINC000042555135 183284305 /nfs/dbraw/zinc/28/43/05/183284305.db2.gz CFQJLJWBGZTIBV-OAHLLOKOSA-N 1 1 311.267 3.569 10 0 DHAEMO CC(C)CN([C@H](C[NH3+])c1cccc(Br)c1)C1CC1 ZINC000042555135 183284306 /nfs/dbraw/zinc/28/43/06/183284306.db2.gz CFQJLJWBGZTIBV-OAHLLOKOSA-N 1 1 311.267 3.569 10 0 DHAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H](CN)c1ccc(Br)o1 ZINC000042607002 183290359 /nfs/dbraw/zinc/29/03/59/183290359.db2.gz LDFNWSABLSXDEX-TUAOUCFPSA-N 1 1 315.255 3.552 10 0 DHAEMO C[C@H]1CCCC[C@H]1N(C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042607002 183290360 /nfs/dbraw/zinc/29/03/60/183290360.db2.gz LDFNWSABLSXDEX-TUAOUCFPSA-N 1 1 315.255 3.552 10 0 DHAEMO C[C@H]([N@@H+](C)[C@@H](CN)c1cccc(Br)c1)C(C)(C)C ZINC000042741795 183304368 /nfs/dbraw/zinc/30/43/68/183304368.db2.gz PEMGQMNLNKPRSH-FZMZJTMJSA-N 1 1 313.283 3.815 10 0 DHAEMO C[C@H](N(C)[C@@H](C[NH3+])c1cccc(Br)c1)C(C)(C)C ZINC000042741795 183304369 /nfs/dbraw/zinc/30/43/69/183304369.db2.gz PEMGQMNLNKPRSH-FZMZJTMJSA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@H](C)[N@@H+](CC)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952951 183321232 /nfs/dbraw/zinc/32/12/32/183321232.db2.gz AKBLBFBBEHJUON-YWPYICTPSA-N 1 1 313.283 3.958 10 0 DHAEMO CCCC[N@H+](C)[C@@H](c1cccc(Br)c1)[C@H](N)CC ZINC000043020132 183328624 /nfs/dbraw/zinc/32/86/24/183328624.db2.gz RZKNSIFJTISEQD-CABCVRRESA-N 1 1 313.283 3.959 10 0 DHAEMO CCCC[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@H](N)CC ZINC000043020132 183328625 /nfs/dbraw/zinc/32/86/25/183328625.db2.gz RZKNSIFJTISEQD-CABCVRRESA-N 1 1 313.283 3.959 10 0 DHAEMO CC[N@@H+](CC(C)C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020391 183328664 /nfs/dbraw/zinc/32/86/64/183328664.db2.gz APFJQQVNOXDULS-IUODEOHRSA-N 1 1 313.283 3.815 10 0 DHAEMO CCN(CC(C)C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020391 183328670 /nfs/dbraw/zinc/32/86/70/183328670.db2.gz APFJQQVNOXDULS-IUODEOHRSA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@H](C)[N@@H+](CCOC)Cc1cc(Br)cs1 ZINC000043687292 183380413 /nfs/dbraw/zinc/38/04/13/183380413.db2.gz NUPXSXGXPLJGGI-JTQLQIEISA-N 1 1 306.269 3.758 10 0 DHAEMO CC[C@H]([NH3+])c1nnc(-c2ccc(Br)cc2Cl)o1 ZINC000061497356 184171848 /nfs/dbraw/zinc/17/18/48/184171848.db2.gz PTEDEDAWZHDJNK-VIFPVBQESA-N 1 1 316.586 3.562 10 0 DHAEMO CN1C(=O)C[C@H]([NH2+]Cc2ccccc2Cl)c2ccccc21 ZINC000037199009 331544160 /nfs/dbraw/zinc/54/41/60/331544160.db2.gz ITKVZRLUNXBNLC-HNNXBMFYSA-N 1 1 300.789 3.537 10 0 DHAEMO COc1ccc2oc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)cc2c1 ZINC000091979475 332098976 /nfs/dbraw/zinc/09/89/76/332098976.db2.gz SSQHAYYKXHWQLR-WMZOPIPTSA-N 1 1 301.386 3.585 10 0 DHAEMO COc1ccc2oc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)cc2c1 ZINC000091979475 332098978 /nfs/dbraw/zinc/09/89/78/332098978.db2.gz SSQHAYYKXHWQLR-WMZOPIPTSA-N 1 1 301.386 3.585 10 0 DHAEMO c1cncc(-c2cccc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)c2)c1 ZINC000091978951 332116315 /nfs/dbraw/zinc/11/63/15/332116315.db2.gz OTVMBXYVKPGXSC-VQTJNVASSA-N 1 1 308.425 3.892 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc4nc(C)ccc4c3)C2)c1 ZINC000187239327 333229524 /nfs/dbraw/zinc/22/95/24/333229524.db2.gz CINZIRAMIMBHEW-LJQANCHMSA-N 1 1 320.440 3.885 10 0 DHAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)c2cccnc12 ZINC000113270254 335301242 /nfs/dbraw/zinc/30/12/42/335301242.db2.gz CATJDXVWRJDYKU-DZGCQCFKSA-N 1 1 315.848 3.557 10 0 DHAEMO CCS[C@@H]1CC[C@]1(O)CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000301491470 336310127 /nfs/dbraw/zinc/31/01/27/336310127.db2.gz NNZDOOJCSOFNPQ-CVEARBPZSA-N 1 1 322.861 3.947 10 0 DHAEMO CC[N@H+]1CCc2c(cccc2Nc2ncnc3ccccc32)C1 ZINC000301674242 336322539 /nfs/dbraw/zinc/32/25/39/336322539.db2.gz BFKGKFRVNYVWCU-UHFFFAOYSA-N 1 1 304.397 3.751 10 0 DHAEMO Cc1cc(N[C@H](C)c2cnn(Cc3ccccc3)c2)nc(C)[nH+]1 ZINC000301851895 336334115 /nfs/dbraw/zinc/33/41/15/336334115.db2.gz PRYMKBZCBLPNLN-CQSZACIVSA-N 1 1 307.401 3.511 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000193916605 337080545 /nfs/dbraw/zinc/08/05/45/337080545.db2.gz YQQHJPMJOCQZKC-QGZVFWFLSA-N 1 1 313.445 3.600 10 0 DHAEMO Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@@H](C)c3ccc(F)cc3)C2)n1 ZINC000171506915 337087607 /nfs/dbraw/zinc/08/76/07/337087607.db2.gz VTOTVOQMLSDJST-BBRMVZONSA-N 1 1 316.424 3.507 10 0 DHAEMO CCc1nccn1[C@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000171523902 337087698 /nfs/dbraw/zinc/08/76/98/337087698.db2.gz GDTQAFUNPKXTFR-KRWDZBQOSA-N 1 1 313.445 3.552 10 0 DHAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000171521411 337087714 /nfs/dbraw/zinc/08/77/14/337087714.db2.gz QIHVOHVFNOSAAK-INIZCTEOSA-N 1 1 303.837 3.936 10 0 DHAEMO CCO[C@@H]1C[C@H]([N@@H+](C)CCc2scnc2C)C12CCCC2 ZINC000172670649 337129340 /nfs/dbraw/zinc/12/93/40/337129340.db2.gz JLOACUFFHAUYAP-JKSUJKDBSA-N 1 1 308.491 3.664 10 0 DHAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175652996 337146860 /nfs/dbraw/zinc/14/68/60/337146860.db2.gz RAOISCDPFZCWFZ-RDJZCZTQSA-N 1 1 313.445 3.852 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1CCSc1ccc(F)cc1 ZINC000178304641 337162247 /nfs/dbraw/zinc/16/22/47/337162247.db2.gz UXMHMAJBDSEBDR-MRXNPFEDSA-N 1 1 319.449 3.587 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000178312372 337163791 /nfs/dbraw/zinc/16/37/91/337163791.db2.gz TYUHYSGYKVAWIX-HNNXBMFYSA-N 1 1 323.362 3.875 10 0 DHAEMO C[C@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1cccc(Cl)c1 ZINC000181573963 337183027 /nfs/dbraw/zinc/18/30/27/337183027.db2.gz BUPDEPQIPXBODC-NSHDSACASA-N 1 1 304.825 3.587 10 0 DHAEMO CCn1cc(C2CC[NH+](Cc3ncc(C(C)C)s3)CC2)cn1 ZINC000183034446 337191078 /nfs/dbraw/zinc/19/10/78/337191078.db2.gz FAHSXROAIFPAAN-UHFFFAOYSA-N 1 1 318.490 3.863 10 0 DHAEMO CCSc1cccc(C[NH2+][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000185558146 337249046 /nfs/dbraw/zinc/24/90/46/337249046.db2.gz HYKSYWVCCWTLGO-ZDUSSCGKSA-N 1 1 316.474 3.577 10 0 DHAEMO C[C@@H](c1cccc(Cl)c1F)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000187049637 337261350 /nfs/dbraw/zinc/26/13/50/337261350.db2.gz ZLJNHJHLCRQOBO-RYUDHWBXSA-N 1 1 307.800 3.763 10 0 DHAEMO CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1cccc(F)c1 ZINC000188089256 337270424 /nfs/dbraw/zinc/27/04/24/337270424.db2.gz PNBJEHFIFHPAKI-DOMZBBRYSA-N 1 1 302.397 3.555 10 0 DHAEMO Cc1cc(C)cc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188105223 337270991 /nfs/dbraw/zinc/27/09/91/337270991.db2.gz CKVAAXIQOODGJZ-ROUUACIJSA-N 1 1 301.455 3.573 10 0 DHAEMO CCc1ccccc1C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000189658088 337281476 /nfs/dbraw/zinc/28/14/76/337281476.db2.gz NNTMMLAKYGDVNW-ROUUACIJSA-N 1 1 301.455 3.518 10 0 DHAEMO Cc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1C ZINC000190289485 337286480 /nfs/dbraw/zinc/28/64/80/337286480.db2.gz JBHVJSQNGPIVNE-ROUUACIJSA-N 1 1 301.455 3.573 10 0 DHAEMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000191869669 337301804 /nfs/dbraw/zinc/30/18/04/337301804.db2.gz UFIQZGQHONJXLQ-HNNXBMFYSA-N 1 1 323.362 3.955 10 0 DHAEMO CCCc1nc(C[NH+]2CCC(c3cnn(CC)c3)CC2)cs1 ZINC000195513128 337468057 /nfs/dbraw/zinc/46/80/57/337468057.db2.gz LXISJDXTIQBQPY-UHFFFAOYSA-N 1 1 318.490 3.692 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCc3ccccc32)o1 ZINC000194021687 340588099 /nfs/dbraw/zinc/58/80/99/340588099.db2.gz RAYSWJCINNFMJJ-CABCVRRESA-N 1 1 312.413 3.607 10 0 DHAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1Cl ZINC000245424508 341292859 /nfs/dbraw/zinc/29/28/59/341292859.db2.gz CQCAPYCVVHGMFX-KBPBESRZSA-N 1 1 321.852 3.739 10 0 DHAEMO C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246162953 341330672 /nfs/dbraw/zinc/33/06/72/341330672.db2.gz RAOVBHHSXQENBV-KGLIPLIRSA-N 1 1 317.383 3.855 10 0 DHAEMO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000246232507 341336202 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/nfs/dbraw/zinc/38/63/53/341386353.db2.gz DRXDNJKLVFDZRD-ICSRJNTNSA-N 1 1 318.505 3.613 10 0 DHAEMO CC(C)c1nnc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)n1C ZINC000107899591 519887399 /nfs/dbraw/zinc/88/73/99/519887399.db2.gz ZSBXNOOREQQFHX-UHFFFAOYSA-N 1 1 316.424 3.637 10 0 DHAEMO CCCCC[C@@H]([NH2+]Cc1nnc(CC)n1C)c1ccccc1 ZINC000181743367 520294239 /nfs/dbraw/zinc/29/42/39/520294239.db2.gz JWZAETPGIDHSKE-MRXNPFEDSA-N 1 1 300.450 3.789 10 0 DHAEMO COc1c(C[N@H+](C)Cc2cccc3ccccc32)c(C)nn1C ZINC000127287132 521815425 /nfs/dbraw/zinc/81/54/25/521815425.db2.gz BYOFEEZCHIMVBK-UHFFFAOYSA-N 1 1 309.413 3.522 10 0 DHAEMO COc1c(C[N@@H+](C)Cc2cccc3ccccc32)c(C)nn1C ZINC000127287132 521815435 /nfs/dbraw/zinc/81/54/35/521815435.db2.gz BYOFEEZCHIMVBK-UHFFFAOYSA-N 1 1 309.413 3.522 10 0 DHAEMO C[N@@H+](CCOCc1ccccc1)Cc1ccc2ccccc2n1 ZINC000154685868 522901224 /nfs/dbraw/zinc/90/12/24/522901224.db2.gz AGXDMRNGFZMVHM-UHFFFAOYSA-N 1 1 306.409 3.883 10 0 DHAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(F)F)c1 ZINC000181823881 523480049 /nfs/dbraw/zinc/48/00/49/523480049.db2.gz WSSUHEUDDFAXAI-HUUCEWRRSA-N 1 1 323.387 3.715 10 0 DHAEMO CCc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190488136 523928711 /nfs/dbraw/zinc/92/87/11/523928711.db2.gz YJGYYFHITOMRGV-OAQYLSRUSA-N 1 1 323.484 3.598 10 0 DHAEMO Cc1cccc([C@H]([NH2+]Cc2nnc(C3CC3)n2C)C(C)(C)C)c1 ZINC000180787671 524884291 /nfs/dbraw/zinc/88/42/91/524884291.db2.gz WWNJVNKLZGFIQH-KRWDZBQOSA-N 1 1 312.461 3.878 10 0 DHAEMO Cc1ccc([C@H](C)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)o1 ZINC000158121288 525935535 /nfs/dbraw/zinc/93/55/35/525935535.db2.gz RAXCYZLPXVFNKG-HOTGVXAUSA-N 1 1 316.445 3.940 10 0 DHAEMO C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000181117627 526176627 /nfs/dbraw/zinc/17/66/27/526176627.db2.gz MHQZGOHTHNHDEL-LSDHHAIUSA-N 1 1 322.412 3.718 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000188228335 527189836 /nfs/dbraw/zinc/18/98/36/527189836.db2.gz DCYUKTPQTNDERR-SMDDNHRTSA-N 1 1 312.442 3.987 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000182148983 527190166 /nfs/dbraw/zinc/19/01/66/527190166.db2.gz QIMHFFPTWYZRTF-HZPDHXFCSA-N 1 1 320.387 3.687 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000180129897 527449406 /nfs/dbraw/zinc/44/94/06/527449406.db2.gz OAIBYXFAYMYYGQ-OAHLLOKOSA-N 1 1 307.800 3.649 10 0 DHAEMO OC[C@@H]1C[N@@H+](CCCc2cccc(F)c2)C[C@H]1c1ccsc1 ZINC000188064156 527593358 /nfs/dbraw/zinc/59/33/58/527593358.db2.gz UBWHWGZWZLETQS-WMZOPIPTSA-N 1 1 319.445 3.528 10 0 DHAEMO OC[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1c1ccsc1 ZINC000188146217 527594863 /nfs/dbraw/zinc/59/48/63/527594863.db2.gz QOHLQSSYHSNJMS-AAEUAGOBSA-N 1 1 313.875 3.671 10 0 DHAEMO CC[NH+](CC)C[C@H](C)n1c(N)nc2cc(Cl)c(Cl)cc21 ZINC000095025916 563618601 /nfs/dbraw/zinc/61/86/01/563618601.db2.gz VIYJYHKDYBHISU-VIFPVBQESA-N 1 1 315.248 3.828 10 0 DHAEMO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000169616762 563646928 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CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000088559660 185257825 /nfs/dbraw/zinc/25/78/25/185257825.db2.gz YAZNKSZMOMUSSU-CABCVRRESA-N 1 1 302.397 3.555 10 0 DHAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000088559866 185257923 /nfs/dbraw/zinc/25/79/23/185257923.db2.gz GWIQYJOVOJVKTQ-QMTHXVAHSA-N 1 1 322.815 3.819 10 0 DHAEMO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c(C)c1 ZINC000092812082 185343723 /nfs/dbraw/zinc/34/37/23/185343723.db2.gz ZEYPLYGQDLFJMH-SFHVURJKSA-N 1 1 324.472 3.958 10 0 DHAEMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c(C)c1 ZINC000092812082 185343724 /nfs/dbraw/zinc/34/37/24/185343724.db2.gz ZEYPLYGQDLFJMH-SFHVURJKSA-N 1 1 324.472 3.958 10 0 DHAEMO O=C(C[NH+]1CCCCC1)Nc1cccc(OCc2ccccc2)c1 ZINC000003622918 181042157 /nfs/dbraw/zinc/04/21/57/181042157.db2.gz AREGQTFSAMMAIL-UHFFFAOYSA-N 1 1 324.424 3.690 10 0 DHAEMO COc1cccc(-c2cn(-c3ccccc3)c3nc[nH+]c(N)c23)c1 ZINC000003815351 181047350 /nfs/dbraw/zinc/04/73/50/181047350.db2.gz JSPJGKUIWGWCRE-UHFFFAOYSA-N 1 1 316.364 3.678 10 0 DHAEMO COc1ccc(OC[C@H]2C[N@@H+](C)CC[C@@H]2c2ccccc2)cc1 ZINC000004216004 181085674 /nfs/dbraw/zinc/08/56/74/181085674.db2.gz OJSFTALXCYKKFQ-YLJYHZDGSA-N 1 1 311.425 3.810 10 0 in-man DHAEMO C[N@H+]1CCc2cc(Cl)ccc2[C@@H](c2cccc3c2OCC3)C1 ZINC000005966890 181301952 /nfs/dbraw/zinc/30/19/52/181301952.db2.gz MAUFEMWATYGIAF-SFHVURJKSA-N 1 1 313.828 3.895 10 0 DHAEMO CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000093438358 193251237 /nfs/dbraw/zinc/25/12/37/193251237.db2.gz QSBGJNZJHPTEME-AWEZNQCLSA-N 1 1 304.463 3.891 10 0 DHAEMO CC(C)(C)c1ncc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000093438358 193251239 /nfs/dbraw/zinc/25/12/39/193251239.db2.gz QSBGJNZJHPTEME-AWEZNQCLSA-N 1 1 304.463 3.891 10 0 DHAEMO C[N@H+]([C@@H](CN)c1ccc(Br)s1)C1CCCCC1 ZINC000019407408 182121293 /nfs/dbraw/zinc/12/12/93/182121293.db2.gz IPXLLEOYPXYXDO-NSHDSACASA-N 1 1 317.296 3.775 10 0 DHAEMO C[N@@H+]([C@@H](CN)c1ccc(Br)s1)C1CCCCC1 ZINC000019407408 182121294 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/nfs/dbraw/zinc/11/73/67/183117367.db2.gz VPRDQATWQDIEDQ-UHFFFAOYSA-N 1 1 305.813 3.535 10 0 DHAEMO CC(C)CN(CC(C)C)c1nc[nH+]c(NC2CCCC2)c1N ZINC000040735897 183126134 /nfs/dbraw/zinc/12/61/34/183126134.db2.gz FIHFEQNRUKFMAI-UHFFFAOYSA-N 1 1 305.470 3.532 10 0 DHAEMO CC[C@H](C)[N@@H+](CCOC)Cc1ccc(F)c(Br)c1 ZINC000042255913 183247256 /nfs/dbraw/zinc/24/72/56/183247256.db2.gz RJWYRYHFVHZZKY-NSHDSACASA-N 1 1 318.230 3.835 10 0 DHAEMO CCCO[C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000042424665 183268623 /nfs/dbraw/zinc/26/86/23/183268623.db2.gz XIABZIMQCLMRHM-CQSZACIVSA-N 1 1 312.251 3.840 10 0 DHAEMO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)C(N)=S ZINC000042444111 183271452 /nfs/dbraw/zinc/27/14/52/183271452.db2.gz JQMRAOWIGGWAJC-SECBINFHSA-N 1 1 305.274 3.738 10 0 DHAEMO CC(C)[N@@H+](CCC(N)=S)Cc1ccc(Cl)c(Cl)c1 ZINC000042529414 183280901 /nfs/dbraw/zinc/28/09/01/183280901.db2.gz YIPVRURMCRJLKP-UHFFFAOYSA-N 1 1 305.274 3.880 10 0 DHAEMO CC(C)C[N@H+]([C@H](CN)c1ccc(Br)s1)C1CC1 ZINC000042555296 183283813 /nfs/dbraw/zinc/28/38/13/183283813.db2.gz PQNKNDHQFIOVFI-LLVKDONJSA-N 1 1 317.296 3.631 10 0 DHAEMO CC(C)C[N@@H+]([C@H](CN)c1ccc(Br)s1)C1CC1 ZINC000042555296 183283816 /nfs/dbraw/zinc/28/38/16/183283816.db2.gz PQNKNDHQFIOVFI-LLVKDONJSA-N 1 1 317.296 3.631 10 0 DHAEMO C[C@H]([N@H+](C)CC(=O)c1ccccc1Br)C(C)(C)C ZINC000042773718 183306846 /nfs/dbraw/zinc/30/68/46/183306846.db2.gz DOJLUQFMUQYKPF-NSHDSACASA-N 1 1 312.251 3.998 10 0 DHAEMO C[C@H]([N@@H+](C)CC(=O)c1ccccc1Br)C(C)(C)C ZINC000042773718 183306849 /nfs/dbraw/zinc/30/68/49/183306849.db2.gz DOJLUQFMUQYKPF-NSHDSACASA-N 1 1 312.251 3.998 10 0 DHAEMO CC(C)C[N@@H+](C(C)C)[C@H](CN)c1ccc(Br)s1 ZINC000042579776 183287128 /nfs/dbraw/zinc/28/71/28/183287128.db2.gz RERQRTIWAJHMRR-LLVKDONJSA-N 1 1 319.312 3.877 10 0 DHAEMO CC(C)CN(C(C)C)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000042579776 183287129 /nfs/dbraw/zinc/28/71/29/183287129.db2.gz RERQRTIWAJHMRR-LLVKDONJSA-N 1 1 319.312 3.877 10 0 DHAEMO CC(C)[N@@H+](CC(=O)c1sccc1Br)CC1CC1 ZINC000042587970 183287758 /nfs/dbraw/zinc/28/77/58/183287758.db2.gz KNVRRUOVKYJHSK-UHFFFAOYSA-N 1 1 316.264 3.814 10 0 DHAEMO CC(C)[N@H+](CC(=O)c1sccc1Br)CC1CC1 ZINC000042587970 183287760 /nfs/dbraw/zinc/28/77/60/183287760.db2.gz KNVRRUOVKYJHSK-UHFFFAOYSA-N 1 1 316.264 3.814 10 0 DHAEMO C[C@@H](CN1CCCC1)[NH2+][C@@H](C)c1ccccc1Br ZINC000042597525 183289641 /nfs/dbraw/zinc/28/96/41/183289641.db2.gz JERUTYQBGQDATQ-STQMWFEESA-N 1 1 311.267 3.584 10 0 DHAEMO CCCC[N@@H+]([C@@H](C)CC)[C@@H](CN)c1ccc(Br)o1 ZINC000042602920 183290331 /nfs/dbraw/zinc/29/03/31/183290331.db2.gz JTKDUDZIINBVOQ-RYUDHWBXSA-N 1 1 317.271 3.943 10 0 DHAEMO CCCCN([C@@H](C)CC)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042602920 183290334 /nfs/dbraw/zinc/29/03/34/183290334.db2.gz JTKDUDZIINBVOQ-RYUDHWBXSA-N 1 1 317.271 3.943 10 0 DHAEMO C[C@@H]([N@@H+](C)CC(=O)c1ccc(Br)cc1)C(C)(C)C ZINC000042773590 183306670 /nfs/dbraw/zinc/30/66/70/183306670.db2.gz JDBCXEQIQPILGH-LLVKDONJSA-N 1 1 312.251 3.998 10 0 DHAEMO CCCN(CCC)[C@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043019947 183329034 /nfs/dbraw/zinc/32/90/34/183329034.db2.gz MKSJAESILHQSSI-WFASDCNBSA-N 1 1 313.283 3.959 10 0 DHAEMO Fc1ccccc1-c1n[nH]c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000043022863 183330837 /nfs/dbraw/zinc/33/08/37/183330837.db2.gz YABHYNDVOLXXBD-UHFFFAOYSA-N 1 1 307.372 3.774 10 0 DHAEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C)c3ccccc3F)C2)n1 ZINC000106178056 194189703 /nfs/dbraw/zinc/18/97/03/194189703.db2.gz JCPILBNBEQPMTF-XJKSGUPXSA-N 1 1 316.424 3.507 10 0 DHAEMO CC1(C)CCC[N@H+]1CC[C@H](O)c1ccccc1Br ZINC000063073607 184269171 /nfs/dbraw/zinc/26/91/71/184269171.db2.gz FPMZAYNPPZUOQS-AWEZNQCLSA-N 1 1 312.251 3.747 10 0 DHAEMO CN(C)[C@@H]1c2ccccc2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000503716545 257209922 /nfs/dbraw/zinc/20/99/22/257209922.db2.gz GVWQHTDXXGHFEL-VAMGGRTRSA-N 1 1 310.416 3.658 10 0 DHAEMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)C(C)C)cc1 ZINC000086339343 332020801 /nfs/dbraw/zinc/02/08/01/332020801.db2.gz GTYSAQLYHIRNBV-UONOGXRCSA-N 1 1 314.433 3.585 10 0 DHAEMO CCOCC[N@H+]1CCN(C/C(C)=C\c2ccccc2)C[C@@H]1CC ZINC000255021114 332266863 /nfs/dbraw/zinc/26/68/63/332266863.db2.gz ZRPXKUHTLONTPS-PUWPPSGDSA-N 1 1 316.489 3.523 10 0 DHAEMO CCOCCN1CC[N@H+](C/C(C)=C\c2ccccc2)C[C@@H]1CC ZINC000255021114 332266864 /nfs/dbraw/zinc/26/68/64/332266864.db2.gz ZRPXKUHTLONTPS-PUWPPSGDSA-N 1 1 316.489 3.523 10 0 DHAEMO CCOCCN1CC[N@@H+](C/C(C)=C\c2ccccc2)C[C@@H]1CC ZINC000255021114 332266866 /nfs/dbraw/zinc/26/68/66/332266866.db2.gz ZRPXKUHTLONTPS-PUWPPSGDSA-N 1 1 316.489 3.523 10 0 DHAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000048769211 334296116 /nfs/dbraw/zinc/29/61/16/334296116.db2.gz WUZDOAPAPVPSQV-NSHDSACASA-N 1 1 316.232 3.599 10 0 DHAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1csc(-c2cccs2)n1 ZINC000113269007 335304204 /nfs/dbraw/zinc/30/42/04/335304204.db2.gz OUSXCFPSOKDFAM-GXTWGEPZSA-N 1 1 319.499 3.540 10 0 DHAEMO Fc1c(N2CC[N@H+]3CCCC[C@H]3C2)ccc2c(Cl)ccnc12 ZINC000301219828 336295467 /nfs/dbraw/zinc/29/54/67/336295467.db2.gz AJNRWTZRNQEFTG-LBPRGKRZSA-N 1 1 319.811 3.702 10 0 DHAEMO COc1cccc2c(NC[C@@H](O)C3CCCC3)cc(C)[nH+]c12 ZINC000301687591 336323541 /nfs/dbraw/zinc/32/35/41/336323541.db2.gz VCUWTJJMJPBXHO-MRXNPFEDSA-N 1 1 300.402 3.515 10 0 DHAEMO COc1ccccc1N1CCC[C@@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000301896881 336336824 /nfs/dbraw/zinc/33/68/24/336336824.db2.gz VEMSXIGDRXOCHK-CQSZACIVSA-N 1 1 322.412 3.652 10 0 DHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000122778292 337023787 /nfs/dbraw/zinc/02/37/87/337023787.db2.gz YHFLSQSUHPYUFI-SFHVURJKSA-N 1 1 323.440 3.650 10 0 DHAEMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000123044373 337034581 /nfs/dbraw/zinc/03/45/81/337034581.db2.gz HHGXKWPXDCQVBJ-KRZKXXONSA-N 1 1 311.429 3.550 10 0 DHAEMO CC(C)c1nnc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)n1C ZINC000171091513 337086623 /nfs/dbraw/zinc/08/66/23/337086623.db2.gz VJLBSNYUCPDMCR-KRWDZBQOSA-N 1 1 312.461 3.708 10 0 DHAEMO CC(C)c1nnc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)n1C ZINC000171091513 337086624 /nfs/dbraw/zinc/08/66/24/337086624.db2.gz VJLBSNYUCPDMCR-KRWDZBQOSA-N 1 1 312.461 3.708 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(OC(C)C)cc3)C2)c1 ZINC000171529560 337087933 /nfs/dbraw/zinc/08/79/33/337087933.db2.gz BBOZNAMOOAEHNC-SFHVURJKSA-N 1 1 313.445 3.816 10 0 DHAEMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCS[C@@H](C)C1 ZINC000171700468 337088545 /nfs/dbraw/zinc/08/85/45/337088545.db2.gz PXNOUMWXYGZYQN-KBPBESRZSA-N 1 1 314.454 3.604 10 0 DHAEMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCS[C@@H](C)C1 ZINC000171700468 337088546 /nfs/dbraw/zinc/08/85/46/337088546.db2.gz PXNOUMWXYGZYQN-KBPBESRZSA-N 1 1 314.454 3.604 10 0 DHAEMO CCO[C@H]1C[C@@H]([N@@H+](C)CCc2scnc2C)C12CCCC2 ZINC000172670657 337129422 /nfs/dbraw/zinc/12/94/22/337129422.db2.gz JLOACUFFHAUYAP-CVEARBPZSA-N 1 1 308.491 3.664 10 0 DHAEMO CSc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1 ZINC000173452576 337135303 /nfs/dbraw/zinc/13/53/03/337135303.db2.gz ZPBNVIBNKLYWLU-CHWSQXEVSA-N 1 1 316.474 3.748 10 0 DHAEMO CC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1 ZINC000173625782 337136988 /nfs/dbraw/zinc/13/69/88/337136988.db2.gz LZCIIZDDQTXSBB-WFASDCNBSA-N 1 1 302.397 3.555 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175652972 337146828 /nfs/dbraw/zinc/14/68/28/337146828.db2.gz RAOISCDPFZCWFZ-DOTOQJQBSA-N 1 1 313.445 3.852 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccccc1SC(C)C ZINC000177017970 337152782 /nfs/dbraw/zinc/15/27/82/337152782.db2.gz UNYMAGWMFFJMJJ-HNNXBMFYSA-N 1 1 320.502 3.743 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000177007318 337152867 /nfs/dbraw/zinc/15/28/67/337152867.db2.gz MMBKZFDRLJFGAZ-GFCCVEGCSA-N 1 1 315.244 3.550 10 0 DHAEMO Cc1oc2nc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)nc(N)c2c1C ZINC000177989182 337159585 /nfs/dbraw/zinc/15/95/85/337159585.db2.gz UEXOUPCRPHCBKJ-KGLIPLIRSA-N 1 1 314.433 3.576 10 0 DHAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC000180120323 337171434 /nfs/dbraw/zinc/17/14/34/337171434.db2.gz GHNIIIRPUZMNPK-KRWDZBQOSA-N 1 1 301.409 3.730 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@@H+](CCCC(=O)OC(C)(C)C)C2)n1 ZINC000181651760 337183572 /nfs/dbraw/zinc/18/35/72/337183572.db2.gz MSSQTLBOQDUPNC-CQSZACIVSA-N 1 1 324.490 3.753 10 0 DHAEMO CCC[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000183091579 337191344 /nfs/dbraw/zinc/19/13/44/337191344.db2.gz ZZZDLUJVXLDUJT-WBVHZDCISA-N 1 1 314.429 3.896 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1c(C)cccc1SC ZINC000184954937 337201951 /nfs/dbraw/zinc/20/19/51/337201951.db2.gz IUBDZFHBBPHQHN-AWEZNQCLSA-N 1 1 321.490 3.665 10 0 DHAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000186191902 337254377 /nfs/dbraw/zinc/25/43/77/337254377.db2.gz JTJNOUOUPAZMPT-IRXDYDNUSA-N 1 1 324.472 3.959 10 0 DHAEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3ccc(F)nc3)C2)n1 ZINC000189315100 337278685 /nfs/dbraw/zinc/27/86/85/337278685.db2.gz XKCVLBZZGRDUOU-CYBMUJFWSA-N 1 1 305.422 3.619 10 0 DHAEMO CCc1cccc(C[N@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)c1 ZINC000190069443 337285069 /nfs/dbraw/zinc/28/50/69/337285069.db2.gz SNXCALNZNXGGTL-MSOLQXFVSA-N 1 1 301.455 3.518 10 0 DHAEMO CCc1nnc([C@H]2C[N@H+](CC[C@@H](C)CCC=C(C)C)CCO2)[nH]1 ZINC000193232988 337309524 /nfs/dbraw/zinc/30/95/24/337309524.db2.gz NYHSRKAWHKOTNO-JKSUJKDBSA-N 1 1 320.481 3.513 10 0 DHAEMO CCc1nnc([C@H]2C[N@@H+](CC[C@@H](C)CCC=C(C)C)CCO2)[nH]1 ZINC000193232988 337309525 /nfs/dbraw/zinc/30/95/25/337309525.db2.gz NYHSRKAWHKOTNO-JKSUJKDBSA-N 1 1 320.481 3.513 10 0 DHAEMO Cc1cc(F)cc(-c2c[nH]c3[nH+]ccc(N4CCOCC4)c23)c1 ZINC000584620216 337372016 /nfs/dbraw/zinc/37/20/16/337372016.db2.gz XQPKWSFMNBGVND-UHFFFAOYSA-N 1 1 311.360 3.514 10 0 DHAEMO C[C@H]1COC[C@H](C)[NH+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000077367482 337579190 /nfs/dbraw/zinc/57/91/90/337579190.db2.gz XDNCINXQEQXURK-HOTGVXAUSA-N 1 1 324.424 3.548 10 0 DHAEMO Cc1ccc(C[NH2+][C@H]2COc3ccccc32)c(Br)c1 ZINC000119090088 337854300 /nfs/dbraw/zinc/85/43/00/337854300.db2.gz OUAUZSLLALLKMN-HNNXBMFYSA-N 1 1 318.214 3.981 10 0 DHAEMO Oc1cccc(C[NH2+][C@H]2CCc3ccccc32)c1Br ZINC000315065087 337980342 /nfs/dbraw/zinc/98/03/42/337980342.db2.gz VQKRGZHQZZBILS-AWEZNQCLSA-N 1 1 318.214 3.932 10 0 DHAEMO CC(C)CC[N@@H+](C[C@H](O)COCc1ccccc1)C1CCCC1 ZINC000302929520 340287000 /nfs/dbraw/zinc/28/70/00/340287000.db2.gz JXICVTQNBQFYOW-FQEVSTJZSA-N 1 1 319.489 3.855 10 0 DHAEMO O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000512228955 340353159 /nfs/dbraw/zinc/35/31/59/340353159.db2.gz NFCHORQRCPXRJZ-WOJBJXKFSA-N 1 1 317.473 3.609 10 0 DHAEMO Fc1ccc(Br)cc1C[NH2+][C@@H]1COc2ccccc21 ZINC000070070347 340988586 /nfs/dbraw/zinc/98/85/86/340988586.db2.gz UDVPHLMKFFQPBP-CQSZACIVSA-N 1 1 322.177 3.812 10 0 DHAEMO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000133067883 341153444 /nfs/dbraw/zinc/15/34/44/341153444.db2.gz PWHJXHMMGHNKOB-WCQYABFASA-N 1 1 316.367 3.562 10 0 DHAEMO CC[N@H+]1CCC[C@@H](N[C@@H](C)c2ccc(F)cc2OC(F)F)C1 ZINC000133067883 341153445 /nfs/dbraw/zinc/15/34/45/341153445.db2.gz PWHJXHMMGHNKOB-WCQYABFASA-N 1 1 316.367 3.562 10 0 DHAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)cc1C ZINC000245436289 341293752 /nfs/dbraw/zinc/29/37/52/341293752.db2.gz UXPNRUVESCLDJM-CABCVRRESA-N 1 1 321.852 3.739 10 0 DHAEMO CCCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000245505655 341298124 /nfs/dbraw/zinc/29/81/24/341298124.db2.gz GFYUMDPBSCQIAM-WMZOPIPTSA-N 1 1 318.436 3.584 10 0 DHAEMO CC[N@H+]1CC[C@@H](Nc2ccc(-n3ccnc3)c(Cl)c2)[C@@H](C)C1 ZINC000245608958 341305205 /nfs/dbraw/zinc/30/52/05/341305205.db2.gz UJVBSBFQLXGAGS-XJKSGUPXSA-N 1 1 318.852 3.668 10 0 DHAEMO COc1ccc([C@@H](C)C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000245950712 341319347 /nfs/dbraw/zinc/31/93/47/341319347.db2.gz WWZKRWJEEBBGHM-WMZOPIPTSA-N 1 1 313.445 3.641 10 0 DHAEMO COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000245950710 341319508 /nfs/dbraw/zinc/31/95/08/341319508.db2.gz WWZKRWJEEBBGHM-FUHWJXTLSA-N 1 1 313.445 3.641 10 0 DHAEMO C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246115565 341327252 /nfs/dbraw/zinc/32/72/52/341327252.db2.gz KDZBRETUHJIKNW-KBPBESRZSA-N 1 1 317.383 3.855 10 0 DHAEMO c1ccc(Oc2cccnc2)c(CN2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000246246153 341337457 /nfs/dbraw/zinc/33/74/57/341337457.db2.gz VRPRFGCXCBPJIK-SFHVURJKSA-N 1 1 323.440 3.544 10 0 DHAEMO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246351000 341343749 /nfs/dbraw/zinc/34/37/49/341343749.db2.gz MOJXIHBAAOEZEG-FPCVCCKLSA-N 1 1 304.434 3.595 10 0 DHAEMO C[C@H](C[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)c1ccccc1 ZINC000246743798 341356613 /nfs/dbraw/zinc/35/66/13/341356613.db2.gz PQOGIPZUGWNQIM-AZOIQLNYSA-N 1 1 317.379 3.876 10 0 DHAEMO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+]([C@@H]2C=CCCC2)C1 ZINC000246789191 341357106 /nfs/dbraw/zinc/35/71/06/341357106.db2.gz SERPUABFDQWOCI-OAGGEKHMSA-N 1 1 311.347 3.922 10 0 DHAEMO Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000153059385 518193635 /nfs/dbraw/zinc/19/36/35/518193635.db2.gz YQQKIAOMIFUDJD-CQSZACIVSA-N 1 1 319.836 3.774 10 0 DHAEMO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C)nc32)cc1 ZINC000181256747 520427551 /nfs/dbraw/zinc/42/75/51/520427551.db2.gz LWDYACHNHIUQHS-SUMWQHHRSA-N 1 1 314.433 3.561 10 0 DHAEMO COc1c(C)c[nH+]c(CN2CCCC[C@H]2c2nccs2)c1C ZINC000171235288 521808181 /nfs/dbraw/zinc/80/81/81/521808181.db2.gz FOIGMIXVEXNPKJ-HNNXBMFYSA-N 1 1 317.458 3.891 10 0 DHAEMO CNC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(C)o2)cc1 ZINC000124643397 521811315 /nfs/dbraw/zinc/81/13/15/521811315.db2.gz CCUJSKNODSPXQP-QGZVFWFLSA-N 1 1 312.413 3.675 10 0 DHAEMO CCc1csc([C@H]2CCC[N@@H+](CCc3scnc3C)C2)n1 ZINC000172531801 522117955 /nfs/dbraw/zinc/11/79/55/522117955.db2.gz WTRBRKCZNJXKOE-ZDUSSCGKSA-N 1 1 321.515 3.893 10 0 DHAEMO CCc1nnc(C[NH2+][C@@H](c2cccc(C)c2)C(C)(C)C)n1C ZINC000180793860 522744995 /nfs/dbraw/zinc/74/49/95/522744995.db2.gz MMUBZUVANMAGCO-KRWDZBQOSA-N 1 1 300.450 3.563 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000180084249 523155912 /nfs/dbraw/zinc/15/59/12/523155912.db2.gz MHUKXNOZTXGXPW-KRWDZBQOSA-N 1 1 300.450 3.792 10 0 DHAEMO CCc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190488157 523928128 /nfs/dbraw/zinc/92/81/28/523928128.db2.gz YJGYYFHITOMRGV-NRFANRHFSA-N 1 1 323.484 3.598 10 0 DHAEMO Cc1cccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1C ZINC000190479403 524404903 /nfs/dbraw/zinc/40/49/03/524404903.db2.gz NBMLYZLZYVENFY-FQEVSTJZSA-N 1 1 323.484 3.652 10 0 DHAEMO Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)o1 ZINC000158121140 525741937 /nfs/dbraw/zinc/74/19/37/525741937.db2.gz RAXCYZLPXVFNKG-JKSUJKDBSA-N 1 1 316.445 3.940 10 0 DHAEMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000130826793 526048629 /nfs/dbraw/zinc/04/86/29/526048629.db2.gz FAUPBOVPFAEZIM-GFCCVEGCSA-N 1 1 319.836 3.563 10 0 DHAEMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000130826793 526048637 /nfs/dbraw/zinc/04/86/37/526048637.db2.gz FAUPBOVPFAEZIM-GFCCVEGCSA-N 1 1 319.836 3.563 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1Cl ZINC000189079659 527441045 /nfs/dbraw/zinc/44/10/45/527441045.db2.gz XMIUGJMKTDTDGP-HNNXBMFYSA-N 1 1 307.800 3.649 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000180130392 527449979 /nfs/dbraw/zinc/44/99/79/527449979.db2.gz KXOPGZPYWHIJFW-CQSZACIVSA-N 1 1 318.490 3.610 10 0 DHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000106209974 527660168 /nfs/dbraw/zinc/66/01/68/527660168.db2.gz LYQRZULXPIVVPQ-INIZCTEOSA-N 1 1 305.372 3.652 10 0 DHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000106209974 527660176 /nfs/dbraw/zinc/66/01/76/527660176.db2.gz LYQRZULXPIVVPQ-INIZCTEOSA-N 1 1 305.372 3.652 10 0 DHAEMO C[C@@H](c1cccs1)[N@H+](C)Cc1cnc(-c2ccccn2)nc1 ZINC000067675584 563488929 /nfs/dbraw/zinc/48/89/29/563488929.db2.gz LRFQHDODZWQOKP-ZDUSSCGKSA-N 1 1 310.426 3.793 10 0 DHAEMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cnc(-c2ccccn2)nc1 ZINC000067675584 563488930 /nfs/dbraw/zinc/48/89/30/563488930.db2.gz LRFQHDODZWQOKP-ZDUSSCGKSA-N 1 1 310.426 3.793 10 0 DHAEMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)OC(C)(C)C ZINC000068592809 563495009 /nfs/dbraw/zinc/49/50/09/563495009.db2.gz BNTFLGQCWGSTDE-FKEKPDDDSA-N 1 1 318.461 3.668 10 0 DHAEMO C[N@H+]1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21 ZINC000000003897 563775268 /nfs/dbraw/zinc/77/52/68/563775268.db2.gz DMJWENQHWZZWDF-PKOBYXMFSA-N 1 1 313.828 3.980 10 0 investigational DHAEMO CC(=O)N(C1CCC1)[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)CC1 ZINC000328632930 563929849 /nfs/dbraw/zinc/92/98/49/563929849.db2.gz LPAJUDSVQLGTHT-PKOBYXMFSA-N 1 1 304.478 3.598 10 0 DHAEMO Cc1cc(C[C@H](C)[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)n[nH]1 ZINC000090532844 1032405691 /nfs/dbraw/zinc/40/56/91/1032405691.db2.gz YUMMKPRDRIXVAD-MEDUHNTESA-N 1 1 317.408 3.680 10 0 DHAEMO O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1cc[nH]c1)c1cccs1 ZINC000091891855 1032463588 /nfs/dbraw/zinc/46/35/88/1032463588.db2.gz GNCAXEDGQMLKCX-CVEARBPZSA-N 1 1 304.459 3.945 10 0 DHAEMO COc1ccc(C[N@H+]2CC=C(c3cccs3)CC2)cc1O ZINC000093533758 1032543201 /nfs/dbraw/zinc/54/32/01/1032543201.db2.gz XTLUYUKYQOPJRV-UHFFFAOYSA-N 1 1 301.411 3.752 10 0 DHAEMO COc1ccc(C[N@@H+]2CC=C(c3cccs3)CC2)cc1O ZINC000093533758 1032543202 /nfs/dbraw/zinc/54/32/02/1032543202.db2.gz XTLUYUKYQOPJRV-UHFFFAOYSA-N 1 1 301.411 3.752 10 0 DHAEMO c1csc(Cn2cccc2C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000093505076 1032543588 /nfs/dbraw/zinc/54/35/88/1032543588.db2.gz GZWPTEZPLBCLPJ-QAPCUYQASA-N 1 1 316.470 3.599 10 0 DHAEMO FC(F)(F)c1csc([C@H]2CCC[N@@H+](Cc3cc[nH]c3)C2)n1 ZINC000093772325 1032556500 /nfs/dbraw/zinc/55/65/00/1032556500.db2.gz BQQVOGMWTZCMSN-NSHDSACASA-N 1 1 315.364 3.870 10 0 DHAEMO Clc1ccc(CN2CCC[N@H+](C3CC3)CC2)c2ncccc12 ZINC000061040755 1025930538 /nfs/dbraw/zinc/93/05/38/1025930538.db2.gz YERWMVBTZSVWNN-UHFFFAOYSA-N 1 1 315.848 3.558 10 0 DHAEMO CC[N@@H+](Cc1ncc(-c2ccccc2Cl)o1)C[C@@H]1CCCO1 ZINC000075676102 1030669546 /nfs/dbraw/zinc/66/95/46/1030669546.db2.gz TXAABKAERSRLAJ-ZDUSSCGKSA-N 1 1 320.820 3.996 10 0 DHAEMO CC[N@H+](Cc1ncc(-c2ccccc2Cl)o1)C[C@@H]1CCCO1 ZINC000075676102 1030669558 /nfs/dbraw/zinc/66/95/58/1030669558.db2.gz TXAABKAERSRLAJ-ZDUSSCGKSA-N 1 1 320.820 3.996 10 0 DHAEMO CC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccc(Cl)s1 ZINC000090224667 185287375 /nfs/dbraw/zinc/28/73/75/185287375.db2.gz VYJVRGVISUNRHE-WDEREUQCSA-N 1 1 310.854 3.877 10 0 DHAEMO Cc1csc([C@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)n1 ZINC000092790363 185341558 /nfs/dbraw/zinc/34/15/58/185341558.db2.gz QCQZGQUUBDLONN-MRXNPFEDSA-N 1 1 313.426 3.506 10 0 DHAEMO Cc1csc([C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)n1 ZINC000092790363 185341559 /nfs/dbraw/zinc/34/15/59/185341559.db2.gz QCQZGQUUBDLONN-MRXNPFEDSA-N 1 1 313.426 3.506 10 0 DHAEMO CCC(=O)O[C@]1(Cc2ccc(C)cc2)C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000004474253 181111458 /nfs/dbraw/zinc/11/14/58/181111458.db2.gz GQGVETQCCLGIHQ-BXWFABGCSA-N 1 1 303.446 3.590 10 0 DHAEMO Cc1cc([C@H](CCC(C)C)n2nnc3ccccc32)c[nH+]c1N ZINC000005379302 181236467 /nfs/dbraw/zinc/23/64/67/181236467.db2.gz WDJBYOWRWTYKEO-INIZCTEOSA-N 1 1 309.417 3.743 10 0 DHAEMO CC(C)[C@H](CN[C@H](C)c1ccc(Br)cc1)[NH+](C)C ZINC000020145580 182192562 /nfs/dbraw/zinc/19/25/62/182192562.db2.gz XTNUTBTVBBQHEQ-DOMZBBRYSA-N 1 1 313.283 3.686 10 0 DHAEMO CCOc1ccc2ccccc2c1CNC[C@H]1CCC[N@@H+]1CC ZINC000022936471 182342485 /nfs/dbraw/zinc/34/24/85/182342485.db2.gz PNGSDPIUNIBQKF-QGZVFWFLSA-N 1 1 312.457 3.812 10 0 DHAEMO CCOc1ccc2ccccc2c1CNC[C@H]1CCC[N@H+]1CC ZINC000022936471 182342487 /nfs/dbraw/zinc/34/24/87/182342487.db2.gz PNGSDPIUNIBQKF-QGZVFWFLSA-N 1 1 312.457 3.812 10 0 DHAEMO CCCO[C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000042424675 183268349 /nfs/dbraw/zinc/26/83/49/183268349.db2.gz QWWBETNPVIPBCF-OAHLLOKOSA-N 1 1 312.251 3.840 10 0 DHAEMO CCCO[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000042424675 183268350 /nfs/dbraw/zinc/26/83/50/183268350.db2.gz QWWBETNPVIPBCF-OAHLLOKOSA-N 1 1 312.251 3.840 10 0 DHAEMO CC[N@H+](Cc1c(Cl)cccc1Cl)C[C@@H](C)C(N)=S ZINC000042444119 183270991 /nfs/dbraw/zinc/27/09/91/183270991.db2.gz DPYBPTLJELGLCN-SECBINFHSA-N 1 1 305.274 3.738 10 0 DHAEMO NC(=S)CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000042546595 183283135 /nfs/dbraw/zinc/28/31/35/183283135.db2.gz ULYLCXCXPPGINX-UHFFFAOYSA-N 1 1 303.258 3.634 10 0 DHAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@@H](CN)c1ccc(Br)cc1 ZINC000042563430 183285231 /nfs/dbraw/zinc/28/52/31/183285231.db2.gz DMDDLJGPXFBGDP-DOMZBBRYSA-N 1 1 313.283 3.815 10 0 DHAEMO CC(C)C[C@@H](C)N(C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042563430 183285233 /nfs/dbraw/zinc/28/52/33/183285233.db2.gz DMDDLJGPXFBGDP-DOMZBBRYSA-N 1 1 313.283 3.815 10 0 DHAEMO CC(C)[N@H+](CC1CC1)[C@@H](CN)c1ccc(Br)s1 ZINC000042580498 183286414 /nfs/dbraw/zinc/28/64/14/183286414.db2.gz AGQQATWFUOGEBR-NSHDSACASA-N 1 1 317.296 3.631 10 0 DHAEMO CC(C)[N@@H+](CC1CC1)[C@@H](CN)c1ccc(Br)s1 ZINC000042580498 183286418 /nfs/dbraw/zinc/28/64/18/183286418.db2.gz AGQQATWFUOGEBR-NSHDSACASA-N 1 1 317.296 3.631 10 0 DHAEMO C[C@H](C[NH+]1CCCC1)N[C@H](C)c1ccc(Br)cc1 ZINC000042597282 183289516 /nfs/dbraw/zinc/28/95/16/183289516.db2.gz IVOQSDUXWMBBAO-CHWSQXEVSA-N 1 1 311.267 3.584 10 0 DHAEMO CCC[N@@H+](C(C)C)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952868 183321531 /nfs/dbraw/zinc/32/15/31/183321531.db2.gz WSMBTBZDWUPJFH-IUODEOHRSA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@@H](N)[C@H](c1cccc(Br)c1)[N@H+](CC)C1CC1 ZINC000043020301 183329102 /nfs/dbraw/zinc/32/91/02/183329102.db2.gz DMKBRCXWHYYRSK-CABCVRRESA-N 1 1 311.267 3.712 10 0 DHAEMO CC[C@@H](N)[C@H](c1cccc(Br)c1)[N@@H+](CC)C1CC1 ZINC000043020301 183329104 /nfs/dbraw/zinc/32/91/04/183329104.db2.gz DMKBRCXWHYYRSK-CABCVRRESA-N 1 1 311.267 3.712 10 0 DHAEMO C[N@H+]1CC[C@H](Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000061985115 184199947 /nfs/dbraw/zinc/19/99/47/184199947.db2.gz KCXUQGHLLUTNRF-VIFPVBQESA-N 1 1 323.156 3.584 10 0 DHAEMO Fc1cccc(-c2cc3n(n2)CCC[N@H+](Cc2ccco2)C3)c1 ZINC000065270447 184320297 /nfs/dbraw/zinc/32/02/97/184320297.db2.gz XVZHWZOLKYCEAM-UHFFFAOYSA-N 1 1 311.360 3.688 10 0 DHAEMO Fc1cccc(-c2cc3n(n2)CCC[N@@H+](Cc2ccco2)C3)c1 ZINC000065270447 184320298 /nfs/dbraw/zinc/32/02/98/184320298.db2.gz XVZHWZOLKYCEAM-UHFFFAOYSA-N 1 1 311.360 3.688 10 0 DHAEMO CO[C@@H]1CC[N@@H+](Cc2scnc2C)C[C@H]1Cc1ccccc1 ZINC000248032550 257110130 /nfs/dbraw/zinc/11/01/30/257110130.db2.gz MFPNBUVLKJQQBL-IAGOWNOFSA-N 1 1 316.470 3.531 10 0 DHAEMO Cc1nc([C@@H]2C[C@H]3CC[N@H+](Cc4ccoc4)C[C@H]3O2)sc1C ZINC000503719038 257208542 /nfs/dbraw/zinc/20/85/42/257208542.db2.gz KRWNDGNDVJNABQ-OWCLPIDISA-N 1 1 318.442 3.705 10 0 DHAEMO Cc1nc([C@@H]2C[C@H]3CC[N@@H+](Cc4ccoc4)C[C@H]3O2)sc1C ZINC000503719038 257208544 /nfs/dbraw/zinc/20/85/44/257208544.db2.gz KRWNDGNDVJNABQ-OWCLPIDISA-N 1 1 318.442 3.705 10 0 DHAEMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238855815 257260155 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C[C@H](Nc1[nH]c2ccccc2[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000301850598 336334047 /nfs/dbraw/zinc/33/40/47/336334047.db2.gz AZNMNRWFEPJCLC-AWEZNQCLSA-N 1 1 317.396 3.981 10 0 DHAEMO C[C@H]1C[C@@H](CNc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccccc1 ZINC000301884323 336336166 /nfs/dbraw/zinc/33/61/66/336336166.db2.gz NUKUWUVVKFEEON-RDJZCZTQSA-N 1 1 320.440 3.885 10 0 DHAEMO CCc1cc(N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)nc(C)[nH+]1 ZINC000302053706 336345837 /nfs/dbraw/zinc/34/58/37/336345837.db2.gz PJYKTBCKNILNDS-CZUORRHYSA-N 1 1 311.429 3.738 10 0 DHAEMO CCc1cc(N[C@H](C)c2cnn(Cc3ccccc3)c2)nc(C)[nH+]1 ZINC000302066398 336346463 /nfs/dbraw/zinc/34/64/63/336346463.db2.gz CXAXGVPZVYVSTQ-CQSZACIVSA-N 1 1 321.428 3.765 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@H+](Cc3c(C)nn(C)c3Cl)C2)n1 ZINC000170748650 337082983 /nfs/dbraw/zinc/08/29/83/337082983.db2.gz QWGZRLPOOGLXMA-GFCCVEGCSA-N 1 1 324.881 3.526 10 0 DHAEMO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1nnc2n1CCCC2 ZINC000173628068 337137028 /nfs/dbraw/zinc/13/70/28/337137028.db2.gz SDBKHLZZWQBQTC-RYUDHWBXSA-N 1 1 304.825 3.680 10 0 DHAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc2ccccc2c1 ZINC000175017196 337144026 /nfs/dbraw/zinc/14/40/26/337144026.db2.gz ZUWMCUMVBGEKAI-RTBURBONSA-N 1 1 308.425 3.539 10 0 DHAEMO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000175148514 337144634 /nfs/dbraw/zinc/14/46/34/337144634.db2.gz PKJVLCJANNURKQ-LBPRGKRZSA-N 1 1 302.422 3.636 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1nc(-c2cccs2)oc1C ZINC000175340713 337145438 /nfs/dbraw/zinc/14/54/38/337145438.db2.gz NPHWCPWLSWJYLP-AWEZNQCLSA-N 1 1 319.474 3.628 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000177007328 337152799 /nfs/dbraw/zinc/15/27/99/337152799.db2.gz MMBKZFDRLJFGAZ-LBPRGKRZSA-N 1 1 315.244 3.550 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000177018344 337152835 /nfs/dbraw/zinc/15/28/35/337152835.db2.gz HKENATQWYBGPHG-AWEZNQCLSA-N 1 1 315.244 3.550 10 0 DHAEMO CCCCCC[C@H](C)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000177176986 337154532 /nfs/dbraw/zinc/15/45/32/337154532.db2.gz IGXBLMYOQNZRAZ-RDJZCZTQSA-N 1 1 305.466 3.789 10 0 DHAEMO CCCC[C@H](CC)CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000177210972 337154879 /nfs/dbraw/zinc/15/48/79/337154879.db2.gz UPTMUHUYAFPBRD-DLBZAZTESA-N 1 1 305.466 3.789 10 0 DHAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177713318 337158713 /nfs/dbraw/zinc/15/87/13/337158713.db2.gz BMZQGYQBRJPTKH-FUHWJXTLSA-N 1 1 313.420 3.909 10 0 DHAEMO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1nnc2n1CCCC2 ZINC000178076295 337160332 /nfs/dbraw/zinc/16/03/32/337160332.db2.gz DUDHZMQTNVHVNS-CZUORRHYSA-N 1 1 310.445 3.688 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C2(C)CCCCCC2)C1 ZINC000180820619 337177982 /nfs/dbraw/zinc/17/79/82/337177982.db2.gz LCIAPSBUXMVXKS-INIZCTEOSA-N 1 1 317.477 3.970 10 0 DHAEMO Cc1csc([C@H]2C[N@H+](CCCc3cccc(C)c3)CCO2)n1 ZINC000181043177 337179501 /nfs/dbraw/zinc/17/95/01/337179501.db2.gz UERXSAKEYNUSDT-QGZVFWFLSA-N 1 1 316.470 3.766 10 0 DHAEMO Cc1csc([C@H]2C[N@@H+](CCCc3cccc(C)c3)CCO2)n1 ZINC000181043177 337179502 /nfs/dbraw/zinc/17/95/02/337179502.db2.gz UERXSAKEYNUSDT-QGZVFWFLSA-N 1 1 316.470 3.766 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC000188705221 337274499 /nfs/dbraw/zinc/27/44/99/337274499.db2.gz YIBPLZUHUBVKEM-SFHVURJKSA-N 1 1 300.446 3.510 10 0 DHAEMO FC(F)(F)C(F)(F)COCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000189332873 337278620 /nfs/dbraw/zinc/27/86/20/337278620.db2.gz JDIJKJZOJNMQIX-JTQLQIEISA-N 1 1 313.266 3.631 10 0 DHAEMO [NH2+]=C1N[C@](CF)(c2cc(Br)ccc2F)C=CS1 ZINC000584636009 337377486 /nfs/dbraw/zinc/37/74/86/337377486.db2.gz ACMYSZUHBFOBSC-LLVKDONJSA-N 1 1 319.174 3.538 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC000105853041 337386888 /nfs/dbraw/zinc/38/68/88/337386888.db2.gz MVOGWODHNZHNME-INIZCTEOSA-N 1 1 303.450 3.579 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1F ZINC000106208917 337387149 /nfs/dbraw/zinc/38/71/49/337387149.db2.gz QZFKCZBXLGBSHF-OAHLLOKOSA-N 1 1 305.372 3.652 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cccc(F)c1F ZINC000106208917 337387150 /nfs/dbraw/zinc/38/71/50/337387150.db2.gz QZFKCZBXLGBSHF-OAHLLOKOSA-N 1 1 305.372 3.652 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC000109676222 337388509 /nfs/dbraw/zinc/38/85/09/337388509.db2.gz BGKCLWINLQQPMU-HZPDHXFCSA-N 1 1 305.466 3.681 10 0 DHAEMO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1C ZINC000131142374 337436495 /nfs/dbraw/zinc/43/64/95/337436495.db2.gz UJRDPLIZJCWELC-CVEARBPZSA-N 1 1 312.461 3.951 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC000194243840 337462020 /nfs/dbraw/zinc/46/20/20/337462020.db2.gz JXMQIXRHLCJJLB-HZPDHXFCSA-N 1 1 317.477 3.825 10 0 DHAEMO Brc1ccccc1C[NH2+][C@@H]1COc2ccccc21 ZINC000070070203 337546277 /nfs/dbraw/zinc/54/62/77/337546277.db2.gz RMDQWIPZSSQCMG-CQSZACIVSA-N 1 1 304.187 3.672 10 0 DHAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000247147217 337558098 /nfs/dbraw/zinc/55/80/98/337558098.db2.gz RGLJFWFAQXECQU-COXVUDFISA-N 1 1 310.445 3.904 10 0 DHAEMO CC(C)c1nn(C)cc1N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000304070296 340359534 /nfs/dbraw/zinc/35/95/34/340359534.db2.gz DFVINNQZESQMHA-RDJZCZTQSA-N 1 1 312.461 3.618 10 0 DHAEMO CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1)C1CCCCC1 ZINC000194021959 340588179 /nfs/dbraw/zinc/58/81/79/340588179.db2.gz GNHPZSUNCAUPRT-LSDHHAIUSA-N 1 1 306.450 3.808 10 0 DHAEMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H](O)COC(C)(C)C)c1 ZINC000134872229 341225702 /nfs/dbraw/zinc/22/57/02/341225702.db2.gz ROAUCUPZOZMJNJ-WMZOPIPTSA-N 1 1 305.462 3.616 10 0 DHAEMO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246496573 341350813 /nfs/dbraw/zinc/35/08/13/341350813.db2.gz AZUSCARFTKKDMS-XQQFMLRXSA-N 1 1 323.387 3.728 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H]1CCc2c1cccc2Cl ZINC000246520728 341352436 /nfs/dbraw/zinc/35/24/36/341352436.db2.gz CCCFNEPBRXYEGH-KSSFIOAISA-N 1 1 315.848 3.997 10 0 DHAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc2ccccc2s1 ZINC000247080270 341360776 /nfs/dbraw/zinc/36/07/76/341360776.db2.gz ZEXMKTSSQTWFTL-GJZGRUSLSA-N 1 1 314.454 3.600 10 0 DHAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCCCc1cccs1 ZINC000247100806 341360900 /nfs/dbraw/zinc/36/09/00/341360900.db2.gz IKSBYZQIDXBXAV-CVEARBPZSA-N 1 1 320.502 3.546 10 0 DHAEMO CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)[C@@H](C)C1 ZINC000247269450 341363047 /nfs/dbraw/zinc/36/30/47/341363047.db2.gz ZWAKPUPJDPABBH-XIRDDKMYSA-N 1 1 302.462 3.609 10 0 DHAEMO CCN1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)[C@@H](C)C1 ZINC000247269450 341363049 /nfs/dbraw/zinc/36/30/49/341363049.db2.gz ZWAKPUPJDPABBH-XIRDDKMYSA-N 1 1 302.462 3.609 10 0 DHAEMO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccncc1 ZINC000248411297 341376916 /nfs/dbraw/zinc/37/69/16/341376916.db2.gz IAGIPILRKZJYBB-LLUDDFSJSA-N 1 1 321.468 3.643 10 0 DHAEMO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccncc1 ZINC000248411297 341376917 /nfs/dbraw/zinc/37/69/17/341376917.db2.gz IAGIPILRKZJYBB-LLUDDFSJSA-N 1 1 321.468 3.643 10 0 DHAEMO C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccncc1 ZINC000248411297 341376918 /nfs/dbraw/zinc/37/69/18/341376918.db2.gz IAGIPILRKZJYBB-LLUDDFSJSA-N 1 1 321.468 3.643 10 0 DHAEMO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000248621887 341381968 /nfs/dbraw/zinc/38/19/68/341381968.db2.gz YDAPZMAZSXZKPX-BRWVUGGUSA-N 1 1 308.510 3.685 10 0 DHAEMO O[C@@]12CCCC[C@@H]1C[N@@H+](CC1CCC(C(F)(F)F)CC1)CC2 ZINC000248705111 341384742 /nfs/dbraw/zinc/38/47/42/341384742.db2.gz HIPYNCORHDOKOG-QDIHITRGSA-N 1 1 319.411 3.982 10 0 DHAEMO CCCC(=O)N[C@H]1CCC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000249088060 341393384 /nfs/dbraw/zinc/39/33/84/341393384.db2.gz UDXMXSQTBCLQAS-WMZOPIPTSA-N 1 1 302.462 3.561 10 0 DHAEMO C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000249175099 341394843 /nfs/dbraw/zinc/39/48/43/341394843.db2.gz DSVGEFWWVXVYQF-HOJAQTOUSA-N 1 1 324.472 3.501 10 0 DHAEMO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc3ccccc3c2)n1C ZINC000181507946 519887765 /nfs/dbraw/zinc/88/77/65/519887765.db2.gz JDMXBRUMPBBJNX-CQSZACIVSA-N 1 1 308.429 3.943 10 0 DHAEMO CCCn1cc(C[NH2+][C@H](C)c2ccccc2Br)cn1 ZINC000116912143 521652724 /nfs/dbraw/zinc/65/27/24/521652724.db2.gz YOZMQLMBGFXOMK-GFCCVEGCSA-N 1 1 322.250 3.906 10 0 DHAEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3c(C)noc3C)C2)n1 ZINC000157042595 522113760 /nfs/dbraw/zinc/11/37/60/522113760.db2.gz QHWAHHXUQUOOTR-CYBMUJFWSA-N 1 1 305.447 3.690 10 0 DHAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000188132094 522519507 /nfs/dbraw/zinc/51/95/07/522519507.db2.gz NHKYQMPRHNNPOF-LSDHHAIUSA-N 1 1 302.397 3.555 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2ccc(C)cc2)C1 ZINC000130850870 522598609 /nfs/dbraw/zinc/59/86/09/522598609.db2.gz XRDKLEVEUPBQGM-INIZCTEOSA-N 1 1 312.417 3.623 10 0 DHAEMO CC[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cccc(Cl)c1 ZINC000182584411 522675400 /nfs/dbraw/zinc/67/54/00/522675400.db2.gz ZDLIVVCKNJWEDB-AWEZNQCLSA-N 1 1 304.825 3.587 10 0 DHAEMO CCc1nnc(C[NH2+][C@H](c2ccccc2C)C(C)(C)C)n1C ZINC000180083682 522747359 /nfs/dbraw/zinc/74/73/59/522747359.db2.gz JGQQWQCDHFNRBG-QGZVFWFLSA-N 1 1 300.450 3.563 10 0 DHAEMO CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171274 523088657 /nfs/dbraw/zinc/08/86/57/523088657.db2.gz YXGUHGFTAXIDIE-YOEHRIQHSA-N 1 1 318.852 3.795 10 0 DHAEMO CN(Cc1ccc(SC(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000226448281 523272421 /nfs/dbraw/zinc/27/24/21/523272421.db2.gz KYZRZEZESFIZNE-CYBMUJFWSA-N 1 1 318.408 3.872 10 0 DHAEMO CCn1cc([C@@H]2C[N@H+](Cc3ccc4ccccc4c3)CCO2)cn1 ZINC000191702658 523465684 /nfs/dbraw/zinc/46/56/84/523465684.db2.gz BVFPTGPBWMGFQA-FQEVSTJZSA-N 1 1 321.424 3.630 10 0 DHAEMO CCn1cc([C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)CCO2)cn1 ZINC000191702658 523465693 /nfs/dbraw/zinc/46/56/93/523465693.db2.gz BVFPTGPBWMGFQA-FQEVSTJZSA-N 1 1 321.424 3.630 10 0 DHAEMO Cc1cc(C)n(Cc2cccc(CNc3cccc(C)[nH+]3)c2)n1 ZINC000157130595 524540829 /nfs/dbraw/zinc/54/08/29/524540829.db2.gz MEBPGDOXLPBFKT-UHFFFAOYSA-N 1 1 306.413 3.864 10 0 DHAEMO Cc1cc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c2ccccc2n1 ZINC000124500826 524687794 /nfs/dbraw/zinc/68/77/94/524687794.db2.gz HBXWPECCGOLADQ-IBGZPJMESA-N 1 1 306.413 3.614 10 0 DHAEMO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cccc2ccccc21 ZINC000181649202 525566061 /nfs/dbraw/zinc/56/60/61/525566061.db2.gz WLBGODYLXCCXQF-CYBMUJFWSA-N 1 1 306.413 3.697 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(c2ccccc2)C(C)C)o1 ZINC000183066242 525722428 /nfs/dbraw/zinc/72/24/28/525722428.db2.gz KHLDZQRZMBQBPI-OAHLLOKOSA-N 1 1 300.402 3.680 10 0 DHAEMO c1cc(Oc2ccccc2)oc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000180430034 526436463 /nfs/dbraw/zinc/43/64/63/526436463.db2.gz IIQHTXMTZZTSFZ-HNNXBMFYSA-N 1 1 324.384 3.501 10 0 DHAEMO c1cc(Oc2ccccc2)oc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000180430034 526436467 /nfs/dbraw/zinc/43/64/67/526436467.db2.gz IIQHTXMTZZTSFZ-HNNXBMFYSA-N 1 1 324.384 3.501 10 0 DHAEMO Cn1cc([C@H]2CCC[N@@H+]2Cc2cnc(C(C)(C)C)s2)cn1 ZINC000131930405 527318081 /nfs/dbraw/zinc/31/80/81/527318081.db2.gz ABGSKODBKSTAQU-CQSZACIVSA-N 1 1 304.463 3.511 10 0 DHAEMO Cn1cc([C@H]2CCC[N@H+]2Cc2cnc(C(C)(C)C)s2)cn1 ZINC000131930405 527318086 /nfs/dbraw/zinc/31/80/86/527318086.db2.gz ABGSKODBKSTAQU-CQSZACIVSA-N 1 1 304.463 3.511 10 0 DHAEMO Brc1cccc(C[NH2+]Cc2nc3ccccc3[nH]2)c1 ZINC000048409081 563574455 /nfs/dbraw/zinc/57/44/55/563574455.db2.gz GDSYHWKFXFMYMY-UHFFFAOYSA-N 1 1 316.202 3.615 10 0 DHAEMO Cc1ccc(-n2c(N)[nH+]c3cc(Br)ccc32)cc1 ZINC000036899514 563457025 /nfs/dbraw/zinc/45/70/25/563457025.db2.gz JVLQTDDVAPZBCI-UHFFFAOYSA-N 1 1 302.175 3.679 10 0 DHAEMO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593054 563495867 /nfs/dbraw/zinc/49/58/67/563495867.db2.gz IBDBUXNMQVARBX-VYDXJSESSA-N 1 1 318.461 3.953 10 0 DHAEMO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)[C@H](C)c2ccncn2)cc1C ZINC000072436748 563507028 /nfs/dbraw/zinc/50/70/28/563507028.db2.gz LYSGRFINOBXIDA-OAHLLOKOSA-N 1 1 321.428 3.677 10 0 DHAEMO Cc1ccc(-c2n[nH]cc2C[N@H+](C)[C@H](C)c2ccncn2)cc1C ZINC000072436748 563507031 /nfs/dbraw/zinc/50/70/31/563507031.db2.gz LYSGRFINOBXIDA-OAHLLOKOSA-N 1 1 321.428 3.677 10 0 DHAEMO CC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000036102384 563893494 /nfs/dbraw/zinc/89/34/94/563893494.db2.gz IPIIKLMRZOCMGC-SFHVURJKSA-N 1 1 317.404 3.607 10 0 DHAEMO CC(C)(O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036115553 563894096 /nfs/dbraw/zinc/89/40/96/563894096.db2.gz YREUQWUPKZKASU-UHFFFAOYSA-N 1 1 305.368 3.738 10 0 DHAEMO Fc1cc(F)c(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1F ZINC000092788954 1032511907 /nfs/dbraw/zinc/51/19/07/1032511907.db2.gz FWVRWJGEMOBUEG-JTQLQIEISA-N 1 1 312.360 3.940 10 0 DHAEMO Fc1cc(F)c(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1F ZINC000092788954 1032511914 /nfs/dbraw/zinc/51/19/14/1032511914.db2.gz FWVRWJGEMOBUEG-JTQLQIEISA-N 1 1 312.360 3.940 10 0 DHAEMO CC(C)C[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000074995421 1030629020 /nfs/dbraw/zinc/62/90/20/1030629020.db2.gz PGXDJJONBVBYFG-UONOGXRCSA-N 1 1 300.406 3.561 10 0 DHAEMO COc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3nc(C(C)C)no3)C2)cc1 ZINC000076390236 1030790297 /nfs/dbraw/zinc/79/02/97/1030790297.db2.gz MPZZRAWXAFSUBX-HIFRSBDPSA-N 1 1 315.417 3.580 10 0 DHAEMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1cccs1)C1CCCCC1 ZINC000078954035 1031063761 /nfs/dbraw/zinc/06/37/61/1031063761.db2.gz LFPZEYGMKFEYNO-OAHLLOKOSA-N 1 1 306.475 3.676 10 0 DHAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000088559934 185257811 /nfs/dbraw/zinc/25/78/11/185257811.db2.gz PHIPLCSUYCYSCL-RISCZKNCSA-N 1 1 304.825 3.680 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000090224529 185287173 /nfs/dbraw/zinc/28/71/73/185287173.db2.gz RILFKMSMRPQEKZ-KBPBESRZSA-N 1 1 304.463 3.860 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000090224838 185287335 /nfs/dbraw/zinc/28/73/35/185287335.db2.gz RCGQCHREHYWGIZ-UGSOOPFHSA-N 1 1 310.445 3.651 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000090225334 185287596 /nfs/dbraw/zinc/28/75/96/185287596.db2.gz GLMQUNSDLKNYOW-GXFFZTMASA-N 1 1 319.478 3.661 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000090226496 185287666 /nfs/dbraw/zinc/28/76/66/185287666.db2.gz HLLYLKKLCOKKPE-HZMBPMFUSA-N 1 1 324.350 3.791 10 0 DHAEMO Cc1cc(C)c(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1C ZINC000092831197 185344766 /nfs/dbraw/zinc/34/47/66/185344766.db2.gz ZXZOBQAUXRVLOA-MRXNPFEDSA-N 1 1 302.443 3.642 10 0 DHAEMO Cc1cc(C)c(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1C ZINC000092831197 185344767 /nfs/dbraw/zinc/34/47/67/185344767.db2.gz ZXZOBQAUXRVLOA-MRXNPFEDSA-N 1 1 302.443 3.642 10 0 DHAEMO Cc1ccccc1[C@H](C)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000073414784 191314107 /nfs/dbraw/zinc/31/41/07/191314107.db2.gz GEHYPVFSJWTDQV-IRXDYDNUSA-N 1 1 317.477 3.572 10 0 DHAEMO CCC[C@H]1[C@H](CC(=O)NC(C)C)CC[N@H+]1Cc1ccccc1 ZINC000005469967 181247451 /nfs/dbraw/zinc/24/74/51/181247451.db2.gz FDZLZLAFLPFOSA-ROUUACIJSA-N 1 1 302.462 3.592 10 0 DHAEMO Cc1ccsc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000092094579 193156410 /nfs/dbraw/zinc/15/64/10/193156410.db2.gz BYSUHJCHQXJLFO-SWLSCSKDSA-N 1 1 309.381 3.643 10 0 DHAEMO Cc1ccsc1C[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000092094579 193156412 /nfs/dbraw/zinc/15/64/12/193156412.db2.gz BYSUHJCHQXJLFO-SWLSCSKDSA-N 1 1 309.381 3.643 10 0 DHAEMO CCCC[N@@H+](C)CC[C@@H](O)c1ccc(Br)cc1 ZINC000041145263 183176251 /nfs/dbraw/zinc/17/62/51/183176251.db2.gz ILRDMZMBKRUZFC-CQSZACIVSA-N 1 1 300.240 3.605 10 0 DHAEMO CC[C@@H](C)[N@@H+](CCOC)Cc1ccc(F)c(Br)c1 ZINC000042255909 183247246 /nfs/dbraw/zinc/24/72/46/183247246.db2.gz RJWYRYHFVHZZKY-LLVKDONJSA-N 1 1 318.230 3.835 10 0 DHAEMO CC(C)C[N@@H+](C(C)C)[C@@H](CN)c1ccc(Br)cc1 ZINC000042579200 183287190 /nfs/dbraw/zinc/28/71/90/183287190.db2.gz FEIXWNXOQJMKSD-HNNXBMFYSA-N 1 1 313.283 3.815 10 0 DHAEMO C[C@@H](C[NH+]1CCCC1)N[C@@H](C)c1sccc1Br ZINC000042598347 183289470 /nfs/dbraw/zinc/28/94/70/183289470.db2.gz PWFUXCCVSTWRFQ-QWRGUYRKSA-N 1 1 317.296 3.646 10 0 DHAEMO CCCN(CCC)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952084 183321070 /nfs/dbraw/zinc/32/10/70/183321070.db2.gz ZYZOVBFLMSKELB-IUODEOHRSA-N 1 1 313.283 3.959 10 0 DHAEMO CC(C)CC[N@H+](C)[C@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043021230 183329555 /nfs/dbraw/zinc/32/95/55/183329555.db2.gz DFEZPEUWZVCDOX-DOMZBBRYSA-N 1 1 313.283 3.815 10 0 DHAEMO CC(C)CC[N@@H+](C)[C@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043021230 183329557 /nfs/dbraw/zinc/32/95/57/183329557.db2.gz DFEZPEUWZVCDOX-DOMZBBRYSA-N 1 1 313.283 3.815 10 0 DHAEMO c1cnn(CCCCC[N@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000104681056 194026906 /nfs/dbraw/zinc/02/69/06/194026906.db2.gz MTQUXMBHDMPPSD-OAHLLOKOSA-N 1 1 304.463 3.737 10 0 DHAEMO Cc1cccc(C(C)C)c1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000104974784 194060555 /nfs/dbraw/zinc/06/05/55/194060555.db2.gz QKYRPCAVQWHLKN-MRXNPFEDSA-N 1 1 315.461 3.820 10 0 DHAEMO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286676 184321538 /nfs/dbraw/zinc/32/15/38/184321538.db2.gz TZXYLVODHRARKA-QGZVFWFLSA-N 1 1 320.396 3.777 10 0 DHAEMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286676 184321540 /nfs/dbraw/zinc/32/15/40/184321540.db2.gz TZXYLVODHRARKA-QGZVFWFLSA-N 1 1 320.396 3.777 10 0 DHAEMO CCc1nnc(C[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)n1C ZINC000178452876 333138906 /nfs/dbraw/zinc/13/89/06/333138906.db2.gz MHALPRUUDCTSSR-CYBMUJFWSA-N 1 1 300.450 3.526 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc4nc(C)ccc4c3)C2)c1 ZINC000187239305 333229498 /nfs/dbraw/zinc/22/94/98/333229498.db2.gz CINZIRAMIMBHEW-IBGZPJMESA-N 1 1 320.440 3.885 10 0 DHAEMO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2ccccc2Br)C1 ZINC000040502201 333353388 /nfs/dbraw/zinc/35/33/88/333353388.db2.gz NAEZHNYFWGEDGE-STQMWFEESA-N 1 1 311.267 3.584 10 0 DHAEMO FC1(F)CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000390837002 333397900 /nfs/dbraw/zinc/39/79/00/333397900.db2.gz AMZYTUAEKGOHPP-AYHJJNSGSA-N 1 1 320.427 3.817 10 0 DHAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1Oc1cccnc1 ZINC000113270734 335301164 /nfs/dbraw/zinc/30/11/64/335301164.db2.gz DKMZVECYUWJWPV-SJLPKXTDSA-N 1 1 323.440 3.542 10 0 DHAEMO Fc1cc(Br)cc(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000093982401 335695933 /nfs/dbraw/zinc/69/59/33/335695933.db2.gz TWIWQJNYHKCMNX-CQSZACIVSA-N 1 1 322.177 3.812 10 0 DHAEMO c1n[nH]cc1[C@H]1CCCC[N@@H+]1CCSCc1ccccc1 ZINC000192673977 336258513 /nfs/dbraw/zinc/25/85/13/336258513.db2.gz METQSQZFGGETMQ-QGZVFWFLSA-N 1 1 301.459 3.870 10 0 DHAEMO CCC[N@H+]1CCCN(c2cc3ccccc3c(Cl)n2)CC1 ZINC000301393588 336304146 /nfs/dbraw/zinc/30/41/46/336304146.db2.gz JMZYRJQRWRVUIQ-UHFFFAOYSA-N 1 1 303.837 3.810 10 0 DHAEMO CC[N@H+]1CCc2c(cccc2Nc2ccc(C(F)(F)F)nn2)C1 ZINC000301968021 336340465 /nfs/dbraw/zinc/34/04/65/336340465.db2.gz PDGYHXFDCGCGDP-UHFFFAOYSA-N 1 1 322.334 3.617 10 0 DHAEMO CC1(C)Cc2cc(C[NH+]3CCC(c4ccn[nH]4)CC3)ccc2O1 ZINC000122628311 337016905 /nfs/dbraw/zinc/01/69/05/337016905.db2.gz BUNUZISAKBVRFK-UHFFFAOYSA-N 1 1 311.429 3.503 10 0 DHAEMO C[C@@H](CC[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000193893494 337079898 /nfs/dbraw/zinc/07/98/98/337079898.db2.gz GJHUOVQFGLDINY-PKOBYXMFSA-N 1 1 324.472 3.571 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000171521406 337087767 /nfs/dbraw/zinc/08/77/67/337087767.db2.gz QIHVOHVFNOSAAK-MRXNPFEDSA-N 1 1 303.837 3.936 10 0 DHAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C12CCCC2 ZINC000172670157 337129371 /nfs/dbraw/zinc/12/93/71/337129371.db2.gz PSRAURWHLXTGIS-IAGOWNOFSA-N 1 1 305.466 3.634 10 0 DHAEMO CCO[C@H]1C[C@H]([N@H+](C)Cc2nccn2C(C)C)C12CCCC2 ZINC000172670631 337129383 /nfs/dbraw/zinc/12/93/83/337129383.db2.gz MIWZSWDNRIUAMU-HOTGVXAUSA-N 1 1 305.466 3.634 10 0 DHAEMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nccn2C(C)C)C12CCCC2 ZINC000172670631 337129384 /nfs/dbraw/zinc/12/93/84/337129384.db2.gz MIWZSWDNRIUAMU-HOTGVXAUSA-N 1 1 305.466 3.634 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2Cl)o1 ZINC000172593875 337130157 /nfs/dbraw/zinc/13/01/57/337130157.db2.gz WBKABYIAQNPMNM-QWHCGFSZSA-N 1 1 320.820 3.597 10 0 DHAEMO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000172593755 337130267 /nfs/dbraw/zinc/13/02/67/337130267.db2.gz SMDGKEVODLTUJW-KBPBESRZSA-N 1 1 316.401 3.583 10 0 DHAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc2ccccc21 ZINC000175003509 337143979 /nfs/dbraw/zinc/14/39/79/337143979.db2.gz AAWQWBACTULOCU-DLBZAZTESA-N 1 1 308.425 3.539 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCCCC(C)(C)C ZINC000176136813 337150570 /nfs/dbraw/zinc/15/05/70/337150570.db2.gz LILDANUSNUHITN-MRXNPFEDSA-N 1 1 320.481 3.582 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(Cl)c1Cl ZINC000177005677 337152859 /nfs/dbraw/zinc/15/28/59/337152859.db2.gz AGNDDCCZDOKIEP-NSHDSACASA-N 1 1 315.244 3.550 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[C@@H](C)C1CCCCC1 ZINC000177166989 337154567 /nfs/dbraw/zinc/15/45/67/337154567.db2.gz LTRLKTJFYXJNTE-QAPCUYQASA-N 1 1 317.477 3.789 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000177357050 337155608 /nfs/dbraw/zinc/15/56/08/337155608.db2.gz UAYKMUIQHLMLKF-DZGCQCFKSA-N 1 1 323.506 3.552 10 0 DHAEMO Cc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c(C)s1 ZINC000178910195 337166398 /nfs/dbraw/zinc/16/63/98/337166398.db2.gz LQFCCNXKURIYBB-WMLDXEAASA-N 1 1 323.408 3.951 10 0 DHAEMO Cc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c(C)s1 ZINC000178910195 337166399 /nfs/dbraw/zinc/16/63/99/337166399.db2.gz LQFCCNXKURIYBB-WMLDXEAASA-N 1 1 323.408 3.951 10 0 DHAEMO Fc1c(Cl)cccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000179532107 337170206 /nfs/dbraw/zinc/17/02/06/337170206.db2.gz IVXKMWJHIFWNCA-UHFFFAOYSA-N 1 1 307.800 3.588 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2(C)CCCCCC2)C1 ZINC000180820604 337178028 /nfs/dbraw/zinc/17/80/28/337178028.db2.gz LCIAPSBUXMVXKS-MRXNPFEDSA-N 1 1 317.477 3.970 10 0 DHAEMO Cc1[nH+]ccn1CCCCNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000183988290 337194256 /nfs/dbraw/zinc/19/42/56/337194256.db2.gz LPFMCEWTPVAGFH-HOCLYGCPSA-N 1 1 305.466 3.550 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000186219832 337254753 /nfs/dbraw/zinc/25/47/53/337254753.db2.gz VZBZERTXMDAVMX-DLBZAZTESA-N 1 1 310.445 3.705 10 0 DHAEMO CC[NH2+]CC1=N[C@H](c2ccc(-c3ccccc3)cc2)N(CC)O1 ZINC000584614119 337372526 /nfs/dbraw/zinc/37/25/26/337372526.db2.gz QQGJXXCXZPEWNC-IBGZPJMESA-N 1 1 309.413 3.627 10 0 DHAEMO CC[N@@H+](CCc1ccccc1)CCc1ccc(F)c(OC)c1 ZINC000584595154 337373902 /nfs/dbraw/zinc/37/39/02/337373902.db2.gz XEACLOYEONJHFH-UHFFFAOYSA-N 1 1 301.405 3.941 10 0 DHAEMO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1C ZINC000131142970 337436479 /nfs/dbraw/zinc/43/64/79/337436479.db2.gz UJRDPLIZJCWELC-JKSUJKDBSA-N 1 1 312.461 3.951 10 0 DHAEMO COc1cc([C@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)ccc1F ZINC000152672741 338209751 /nfs/dbraw/zinc/20/97/51/338209751.db2.gz PLOAAEGUVWAWFK-KSSFIOAISA-N 1 1 316.420 3.788 10 0 DHAEMO CCCCOc1ccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131911417 341113500 /nfs/dbraw/zinc/11/35/00/341113500.db2.gz RYYQMFLZZNBJBF-LJQANCHMSA-N 1 1 313.445 3.936 10 0 DHAEMO Cc1cccc(NC[C@H]2CC[N@@H+](CCc3ccccc3F)C2)n1 ZINC000137584429 341276691 /nfs/dbraw/zinc/27/66/91/341276691.db2.gz MGNJPVICPVBOSK-MRXNPFEDSA-N 1 1 313.420 3.506 10 0 DHAEMO CCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccccc2Cl)C1 ZINC000245200607 341285374 /nfs/dbraw/zinc/28/53/74/341285374.db2.gz LIMMLJHMCFCFHA-KGLIPLIRSA-N 1 1 308.853 3.782 10 0 DHAEMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000246066640 341323446 /nfs/dbraw/zinc/32/34/46/341323446.db2.gz AXQFRRKNWZQBBT-KKUMJFAQSA-N 1 1 320.502 3.964 10 0 DHAEMO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCS[C@@H](C)C1 ZINC000246066640 341323447 /nfs/dbraw/zinc/32/34/47/341323447.db2.gz AXQFRRKNWZQBBT-KKUMJFAQSA-N 1 1 320.502 3.964 10 0 DHAEMO c1ccc(NC[C@@H]2CC[N@H+]([C@H]3CCCc4ccccc43)C2)nc1 ZINC000246068595 341323613 /nfs/dbraw/zinc/32/36/13/341323613.db2.gz 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ZINC000249062900 341392922 /nfs/dbraw/zinc/39/29/22/341392922.db2.gz IFTPTIKCXBRJQD-BPUTZDHNSA-N 1 1 306.475 3.817 10 0 DHAEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cc(Cl)sc2Cl)[C@@H](C)C1 ZINC000158968116 519697005 /nfs/dbraw/zinc/69/70/05/519697005.db2.gz KXUXBEVMSVAHSI-WPRPVWTQSA-N 1 1 321.273 3.513 10 0 DHAEMO CCc1csc([C@H]2CCC[N@@H+](Cc3ncc(C)s3)C2)n1 ZINC000180460670 522115923 /nfs/dbraw/zinc/11/59/23/522115923.db2.gz UKUCAOPKDVYIDH-LBPRGKRZSA-N 1 1 307.488 3.850 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ccc(C)cc2)C1 ZINC000130850664 522589685 /nfs/dbraw/zinc/58/96/85/522589685.db2.gz XRDKLEVEUPBQGM-MRXNPFEDSA-N 1 1 312.417 3.623 10 0 DHAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000106213218 522598548 /nfs/dbraw/zinc/59/85/48/522598548.db2.gz QUWRSNURKXZIQB-GJZGRUSLSA-N 1 1 301.409 3.983 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000130835331 522600462 /nfs/dbraw/zinc/60/04/62/522600462.db2.gz ZYDJMHAURPKWFL-INIZCTEOSA-N 1 1 312.417 3.623 10 0 DHAEMO CCc1cccc(CC)c1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000177097501 524068744 /nfs/dbraw/zinc/06/87/44/524068744.db2.gz GLUMFMAFKVMESC-WMLDXEAASA-N 1 1 315.461 3.512 10 0 DHAEMO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1cccc(Cl)c1 ZINC000181573997 525495731 /nfs/dbraw/zinc/49/57/31/525495731.db2.gz QPIMHJPSLPSHPZ-NSHDSACASA-N 1 1 316.836 3.995 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C)o1 ZINC000182573849 525917308 /nfs/dbraw/zinc/91/73/08/525917308.db2.gz QKBYSBVCYGCRAN-LBPRGKRZSA-N 1 1 306.431 3.864 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3ccccc3OC(C)C)C2)c1 ZINC000106219885 526267590 /nfs/dbraw/zinc/26/75/90/526267590.db2.gz PYFJQMCTMFBOQQ-SFHVURJKSA-N 1 1 313.445 3.816 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3cccc(OC(C)C)c3)C2)c1 ZINC000106221119 526267993 /nfs/dbraw/zinc/26/79/93/526267993.db2.gz INWWSAFSALVEPD-SFHVURJKSA-N 1 1 313.445 3.816 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000182149027 527190916 /nfs/dbraw/zinc/19/09/16/527190916.db2.gz 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ZINC000169616761 563647029 /nfs/dbraw/zinc/64/70/29/563647029.db2.gz IBDBUXNMQVARBX-BFYDXBDKSA-N 1 1 318.461 3.953 10 0 DHAEMO CCn1ccnc1C[NH2+]Cc1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000012432305 563774469 /nfs/dbraw/zinc/77/44/69/563774469.db2.gz NKKXVHHBJYXALM-UHFFFAOYSA-N 1 1 322.456 3.943 10 0 DHAEMO CC(=O)N(C1CCC1)[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)CC1 ZINC000328632924 563929878 /nfs/dbraw/zinc/92/98/78/563929878.db2.gz LPAJUDSVQLGTHT-HKUYNNGSSA-N 1 1 304.478 3.598 10 0 DHAEMO c1ncc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)s1 ZINC000093387095 1032537030 /nfs/dbraw/zinc/53/70/30/1032537030.db2.gz CZFJFFGBLLFULH-OAHLLOKOSA-N 1 1 324.453 3.913 10 0 DHAEMO Clc1nc2ccccc2cc1CN1CCC[N@H+](C2CC2)CC1 ZINC000061041107 1025931686 /nfs/dbraw/zinc/93/16/86/1025931686.db2.gz ITDFEUUIBBLRHP-UHFFFAOYSA-N 1 1 315.848 3.558 10 0 DHAEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3c(C)noc3C)C2)cc1 ZINC000076389823 1030789978 /nfs/dbraw/zinc/78/99/78/1030789978.db2.gz JBMRJJWTICQJNE-BLLLJJGKSA-N 1 1 300.402 3.678 10 0 DHAEMO COc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3nccn3C(F)F)C2)cc1 ZINC000076390380 1030791441 /nfs/dbraw/zinc/79/14/41/1030791441.db2.gz BRUTYWSNOPWNCJ-GXTWGEPZSA-N 1 1 321.371 3.665 10 0 DHAEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3nccn3C(F)F)C2)cc1 ZINC000076390380 1030791455 /nfs/dbraw/zinc/79/14/55/1030791455.db2.gz BRUTYWSNOPWNCJ-GXTWGEPZSA-N 1 1 321.371 3.665 10 0 DHAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000088559863 185257740 /nfs/dbraw/zinc/25/77/40/185257740.db2.gz GWIQYJOVOJVKTQ-HZMBPMFUSA-N 1 1 322.815 3.819 10 0 DHAEMO COc1c(C[N@H+](Cc2ccc(C)s2)C(C)C)c(C)nn1C ZINC000092485295 185321687 /nfs/dbraw/zinc/32/16/87/185321687.db2.gz SRHBEZNXNJDLDO-UHFFFAOYSA-N 1 1 307.463 3.518 10 0 DHAEMO COc1c(C[N@@H+](Cc2ccc(C)s2)C(C)C)c(C)nn1C ZINC000092485295 185321688 /nfs/dbraw/zinc/32/16/88/185321688.db2.gz SRHBEZNXNJDLDO-UHFFFAOYSA-N 1 1 307.463 3.518 10 0 DHAEMO Nc1cccc(C[N@H+]2CC[C@H](Nc3cccc4cnccc43)C2)c1 ZINC000003942809 181058096 /nfs/dbraw/zinc/05/80/96/181058096.db2.gz KDILGLNJDNVPLP-SFHVURJKSA-N 1 1 318.424 3.503 10 0 DHAEMO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000093437978 193251147 /nfs/dbraw/zinc/25/11/47/193251147.db2.gz QSMHGAIYGPBRLW-LJQANCHMSA-N 1 1 321.428 3.631 10 0 DHAEMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000093437978 193251148 /nfs/dbraw/zinc/25/11/48/193251148.db2.gz QSMHGAIYGPBRLW-LJQANCHMSA-N 1 1 321.428 3.631 10 0 DHAEMO CCC[NH+](CCC)[C@H](CN)c1ccccc1OC(F)(F)F ZINC000020023254 182179570 /nfs/dbraw/zinc/17/95/70/182179570.db2.gz JCDFOPXKXGJQQB-CYBMUJFWSA-N 1 1 304.356 3.707 10 0 DHAEMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](N)c2cccc(C(F)(F)F)c2)C1 ZINC000020022957 182179789 /nfs/dbraw/zinc/17/97/89/182179789.db2.gz YEFMNVRZMOMKLW-TYNCELHUSA-N 1 1 300.368 3.683 10 0 DHAEMO C[C@@H]1C[C@H](C)CN(C[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000020022957 182179791 /nfs/dbraw/zinc/17/97/91/182179791.db2.gz YEFMNVRZMOMKLW-TYNCELHUSA-N 1 1 300.368 3.683 10 0 DHAEMO CC(C)[C@@H](CN[C@H](C)c1ccc(Br)cc1)[NH+](C)C ZINC000020145579 182192482 /nfs/dbraw/zinc/19/24/82/182192482.db2.gz XTNUTBTVBBQHEQ-IUODEOHRSA-N 1 1 313.283 3.686 10 0 DHAEMO CN1CCC[C@@H]([N@@H+](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC000022935731 182341962 /nfs/dbraw/zinc/34/19/62/182341962.db2.gz GWSDEZBGUQLVNF-CYBMUJFWSA-N 1 1 301.261 3.562 10 0 DHAEMO CN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000022935731 182341964 /nfs/dbraw/zinc/34/19/64/182341964.db2.gz GWSDEZBGUQLVNF-CYBMUJFWSA-N 1 1 301.261 3.562 10 0 DHAEMO CN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000022935731 182341966 /nfs/dbraw/zinc/34/19/66/182341966.db2.gz GWSDEZBGUQLVNF-CYBMUJFWSA-N 1 1 301.261 3.562 10 0 DHAEMO COC(=O)c1cccc(Nc2cc[nH+]c3ccc(OC)cc23)c1 ZINC000041055498 183160035 /nfs/dbraw/zinc/16/00/35/183160035.db2.gz XVXNBJARJSXIIH-UHFFFAOYSA-N 1 1 308.337 3.774 10 0 DHAEMO C[C@H]1CCCC[N@H+]1CC[C@H](O)c1ccc(Br)cc1 ZINC000041145253 183175838 /nfs/dbraw/zinc/17/58/38/183175838.db2.gz KNBPCVWMVHEVMW-WFASDCNBSA-N 1 1 312.251 3.747 10 0 DHAEMO CC(C)C[N@@H+](C(C)C)[C@H](CN)c1cc(Br)cs1 ZINC000042579837 183286912 /nfs/dbraw/zinc/28/69/12/183286912.db2.gz XFKOYGBZOVTQGR-GFCCVEGCSA-N 1 1 319.312 3.877 10 0 DHAEMO CC(C)CN(C(C)C)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000042579837 183286914 /nfs/dbraw/zinc/28/69/14/183286914.db2.gz XFKOYGBZOVTQGR-GFCCVEGCSA-N 1 1 319.312 3.877 10 0 DHAEMO CC(C)C[C@H](C)[N@H+](C)[C@@H](CN)c1ccc(Br)s1 ZINC000042577485 183287020 /nfs/dbraw/zinc/28/70/20/183287020.db2.gz FYSZFPBTGCABIX-QWRGUYRKSA-N 1 1 319.312 3.877 10 0 DHAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H](CN)c1ccc(Br)s1 ZINC000042577485 183287021 /nfs/dbraw/zinc/28/70/21/183287021.db2.gz FYSZFPBTGCABIX-QWRGUYRKSA-N 1 1 319.312 3.877 10 0 DHAEMO CC(C)C[N@@H+](CC(=O)c1cccc(Br)c1)C(C)C ZINC000042587890 183288104 /nfs/dbraw/zinc/28/81/04/183288104.db2.gz FQQHHQDXGSHSNI-UHFFFAOYSA-N 1 1 312.251 3.998 10 0 DHAEMO CCC[N@@H+](CC)[C@H](c1cccc(Br)c1)[C@H](N)CC ZINC000043020351 183328570 /nfs/dbraw/zinc/32/85/70/183328570.db2.gz QYLOAELYHLEBLL-HUUCEWRRSA-N 1 1 313.283 3.959 10 0 DHAEMO CCCN(CC)[C@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043020351 183328572 /nfs/dbraw/zinc/32/85/72/183328572.db2.gz QYLOAELYHLEBLL-HUUCEWRRSA-N 1 1 313.283 3.959 10 0 DHAEMO CC[C@@H](N)[C@H](c1cccc(Br)c1)[N@H+](C)CC1CC1 ZINC000043021051 183329849 /nfs/dbraw/zinc/32/98/49/183329849.db2.gz GDRNMRKDUUXWMP-CABCVRRESA-N 1 1 311.267 3.569 10 0 DHAEMO CC[C@@H](N)[C@H](c1cccc(Br)c1)[N@@H+](C)CC1CC1 ZINC000043021051 183329852 /nfs/dbraw/zinc/32/98/52/183329852.db2.gz GDRNMRKDUUXWMP-CABCVRRESA-N 1 1 311.267 3.569 10 0 DHAEMO CN(CC1CCC1)c1c(N)c[nH+]c2ccc(Br)cc21 ZINC000061455886 184171363 /nfs/dbraw/zinc/17/13/63/184171363.db2.gz KTDSYJJSWHRTID-UHFFFAOYSA-N 1 1 320.234 3.816 10 0 DHAEMO C[N@@H+](CC[C@@H](O)c1ccc(Br)cc1)CC1CCC1 ZINC000061485234 184171526 /nfs/dbraw/zinc/17/15/26/184171526.db2.gz JBAHSDHGOHBZKO-OAHLLOKOSA-N 1 1 312.251 3.605 10 0 DHAEMO Clc1ccc(Br)cc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061983996 184199856 /nfs/dbraw/zinc/19/98/56/184199856.db2.gz SZMAYGGBEPBQRK-SNVBAGLBSA-N 1 1 315.642 3.751 10 0 DHAEMO Cc1nc([C@@H]2C[C@H]3CC[N@H+](Cc4ccoc4)C[C@@H]3O2)sc1C ZINC000248027158 257111777 /nfs/dbraw/zinc/11/17/77/257111777.db2.gz KRWNDGNDVJNABQ-PMPSAXMXSA-N 1 1 318.442 3.705 10 0 DHAEMO Cc1nc([C@@H]2C[C@H]3CC[N@@H+](Cc4ccoc4)C[C@@H]3O2)sc1C ZINC000248027158 257111779 /nfs/dbraw/zinc/11/17/79/257111779.db2.gz KRWNDGNDVJNABQ-PMPSAXMXSA-N 1 1 318.442 3.705 10 0 DHAEMO c1coc(C[N@H+]2C[C@@H]3O[C@H](c4nc(C5CC5)cs4)C[C@H]3C2)c1 ZINC000503720303 257207544 /nfs/dbraw/zinc/20/75/44/257207544.db2.gz RIBNMBOEQPLDBB-RCBQFDQVSA-N 1 1 316.426 3.576 10 0 DHAEMO c1coc(C[N@@H+]2C[C@@H]3O[C@H](c4nc(C5CC5)cs4)C[C@H]3C2)c1 ZINC000503720303 257207545 /nfs/dbraw/zinc/20/75/45/257207545.db2.gz RIBNMBOEQPLDBB-RCBQFDQVSA-N 1 1 316.426 3.576 10 0 DHAEMO C[C@@H](O)C1CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000187149702 333422049 /nfs/dbraw/zinc/42/20/49/333422049.db2.gz RYRCEINXFZRTKB-SNVBAGLBSA-N 1 1 321.770 3.952 10 0 DHAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000048769629 334296132 /nfs/dbraw/zinc/29/61/32/334296132.db2.gz AUDJRNKNXPMJNK-SNVBAGLBSA-N 1 1 316.232 3.599 10 0 DHAEMO C[C@H](CC1CCCCC1)c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000329703524 336060645 /nfs/dbraw/zinc/06/06/45/336060645.db2.gz IIXOJJDSZHWLGB-KBMXLJTQSA-N 1 1 319.449 3.679 10 0 DHAEMO C[C@H](CC1CCCCC1)c1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000329703524 336060647 /nfs/dbraw/zinc/06/06/47/336060647.db2.gz IIXOJJDSZHWLGB-KBMXLJTQSA-N 1 1 319.449 3.679 10 0 DHAEMO CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CCOC3(CCC3)C2)C1)C(N)=O ZINC000333288505 336201170 /nfs/dbraw/zinc/20/11/70/336201170.db2.gz ZOJWVRZYTUHUOP-LSDHHAIUSA-N 1 1 308.466 3.752 10 0 DHAEMO COc1cccc2c(NC[C@H](O)C3CCCC3)cc(C)[nH+]c12 ZINC000301687589 336323535 /nfs/dbraw/zinc/32/35/35/336323535.db2.gz VCUWTJJMJPBXHO-INIZCTEOSA-N 1 1 300.402 3.515 10 0 DHAEMO OCCN(Cc1ccsc1)c1cc[nH+]c2cc(Cl)ccc21 ZINC000301830331 336332911 /nfs/dbraw/zinc/33/29/11/336332911.db2.gz HLGQGZKBVFULCA-UHFFFAOYSA-N 1 1 318.829 3.949 10 0 DHAEMO COc1ccccc1N1CCC[C@H](Nc2[nH]c3ccccc3[nH+]2)C1 ZINC000301896880 336336820 /nfs/dbraw/zinc/33/68/20/336336820.db2.gz VEMSXIGDRXOCHK-AWEZNQCLSA-N 1 1 322.412 3.652 10 0 DHAEMO CC(C)C[N@H+]1CC[C@H](CNc2ccnc3c(F)cc(F)cc23)C1 ZINC000302394323 336358156 /nfs/dbraw/zinc/35/81/56/336358156.db2.gz DRUFASNXBALSLB-CYBMUJFWSA-N 1 1 319.399 3.903 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000171524359 337087703 /nfs/dbraw/zinc/08/77/03/337087703.db2.gz OLGPZZWAJMMMSO-GFCCVEGCSA-N 1 1 309.866 3.998 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2Cl)o1 ZINC000172593873 337130238 /nfs/dbraw/zinc/13/02/38/337130238.db2.gz WBKABYIAQNPMNM-CHWSQXEVSA-N 1 1 320.820 3.597 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)o1 ZINC000172593882 337130244 /nfs/dbraw/zinc/13/02/44/337130244.db2.gz IPFKFAHDWDBXMN-QWRGUYRKSA-N 1 1 308.328 3.544 10 0 DHAEMO CCCC[C@H](CCC)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000176420621 337151221 /nfs/dbraw/zinc/15/12/21/337151221.db2.gz RRSGYEPCPVGUNY-DLBZAZTESA-N 1 1 320.481 3.724 10 0 DHAEMO COCc1cccc(C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)c1 ZINC000179206082 337168248 /nfs/dbraw/zinc/16/82/48/337168248.db2.gz RYOHCJRPSDBEQF-KRWDZBQOSA-N 1 1 316.470 3.978 10 0 DHAEMO Cc1csc([C@H]2C[N@H+](CCCCc3ccccc3)CCO2)n1 ZINC000186905179 337260198 /nfs/dbraw/zinc/26/01/98/337260198.db2.gz SDRGILMLPVQCOA-QGZVFWFLSA-N 1 1 316.470 3.848 10 0 DHAEMO Cc1csc([C@H]2C[N@@H+](CCCCc3ccccc3)CCO2)n1 ZINC000186905179 337260199 /nfs/dbraw/zinc/26/01/99/337260199.db2.gz SDRGILMLPVQCOA-QGZVFWFLSA-N 1 1 316.470 3.848 10 0 DHAEMO Cc1coc2ccc(NC(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3C)cc12 ZINC000187926490 337268885 /nfs/dbraw/zinc/26/88/85/337268885.db2.gz GNZYUTRNZDEZRJ-LRDDRELGSA-N 1 1 315.417 3.591 10 0 DHAEMO CC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1cccc(F)c1 ZINC000188089281 337270415 /nfs/dbraw/zinc/27/04/15/337270415.db2.gz PNBJEHFIFHPAKI-IUODEOHRSA-N 1 1 302.397 3.555 10 0 DHAEMO c1cn(C[C@@H]2CCC[N@H+]2Cc2cnc(C3CCCC3)s2)cn1 ZINC000188417439 337273132 /nfs/dbraw/zinc/27/31/32/337273132.db2.gz AXVYZFTXKTWXMP-HNNXBMFYSA-N 1 1 316.474 3.662 10 0 DHAEMO C[C@@H]([NH2+]Cc1cncc(F)c1)c1ccccc1Br ZINC000230942190 337275285 /nfs/dbraw/zinc/27/52/85/337275285.db2.gz XNZHADSUPDAXFE-SNVBAGLBSA-N 1 1 309.182 3.834 10 0 DHAEMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)o1 ZINC000190286907 337286431 /nfs/dbraw/zinc/28/64/31/337286431.db2.gz CSOSDWFXDSMADS-IRWJRLHMSA-N 1 1 317.454 3.672 10 0 DHAEMO COc1cccc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1F ZINC000192951503 337308640 /nfs/dbraw/zinc/30/86/40/337308640.db2.gz QXOIBCOLPQZFEU-HNNXBMFYSA-N 1 1 317.408 3.522 10 0 DHAEMO CC(O)=CC(=O)OCCCCCCCCCCCC[NH+](C)C ZINC000584600528 337370740 /nfs/dbraw/zinc/37/07/40/337370740.db2.gz JTHGOVJSAXWOCM-UHFFFAOYSA-N 1 1 313.482 3.971 10 0 DHAEMO O=c1c2ccccc2ccn1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000584613090 337372502 /nfs/dbraw/zinc/37/25/02/337372502.db2.gz YOYXEYWHTXNGTM-LJQANCHMSA-N 1 1 318.420 3.839 10 0 DHAEMO CC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000584637139 337379395 /nfs/dbraw/zinc/37/93/95/337379395.db2.gz YGJDNTHRMJACHN-PMACEKPBSA-N 1 1 309.409 3.564 10 0 DHAEMO C[C@H]([NH2+]Cc1cn2cccnc2n1)c1ccc(Cl)c(Cl)c1 ZINC000124034304 337403181 /nfs/dbraw/zinc/40/31/81/337403181.db2.gz XQYNVFSROBSHFW-JTQLQIEISA-N 1 1 321.211 3.887 10 0 DHAEMO c1ccc(Oc2cccnc2)c(CN2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000172800917 340342391 /nfs/dbraw/zinc/34/23/91/340342391.db2.gz VRPRFGCXCBPJIK-GOSISDBHSA-N 1 1 323.440 3.544 10 0 DHAEMO CC(C)(C)OCC[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134850815 341225200 /nfs/dbraw/zinc/22/52/00/341225200.db2.gz YXJODWCKEARVPG-INIZCTEOSA-N 1 1 307.409 3.678 10 0 DHAEMO CC(C)(C)OC[C@H](O)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000079905191 341267390 /nfs/dbraw/zinc/26/73/90/341267390.db2.gz GNGUXNOJTAEYFO-QZTJIDSGSA-N 1 1 305.462 3.780 10 0 DHAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1Cl ZINC000245424510 341292973 /nfs/dbraw/zinc/29/29/73/341292973.db2.gz CQCAPYCVVHGMFX-KGLIPLIRSA-N 1 1 321.852 3.739 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H]1CCCc2ccc(F)cc21 ZINC000245509422 341298461 /nfs/dbraw/zinc/29/84/61/341298461.db2.gz KEVINZUPJCNVLL-HKUYNNGSSA-N 1 1 313.420 3.873 10 0 DHAEMO C[C@H](C[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F)c1ccccc1 ZINC000246743804 341356583 /nfs/dbraw/zinc/35/65/83/341356583.db2.gz PQOGIPZUGWNQIM-NRXGSXMXSA-N 1 1 317.379 3.876 10 0 DHAEMO Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000248656025 341382981 /nfs/dbraw/zinc/38/29/81/341382981.db2.gz QYUVLFXJEGIXIZ-QUCCMNQESA-N 1 1 323.484 3.905 10 0 DHAEMO CC(C)(C)OC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000248854283 341388672 /nfs/dbraw/zinc/38/86/72/341388672.db2.gz KUWQOBOBKYLMSP-CVEARBPZSA-N 1 1 311.853 3.653 10 0 DHAEMO CC(C)C[C@@H]([NH2+]Cc1nnc(C(C)C)n1C)c1ccccc1 ZINC000181800150 519251066 /nfs/dbraw/zinc/25/10/66/519251066.db2.gz HWFDGFGUSGUNMM-MRXNPFEDSA-N 1 1 300.450 3.816 10 0 DHAEMO CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000193114245 520040062 /nfs/dbraw/zinc/04/00/62/520040062.db2.gz DBLXWCQNOBWFKU-GJZGRUSLSA-N 1 1 300.402 3.680 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000106217646 522593081 /nfs/dbraw/zinc/59/30/81/522593081.db2.gz DLGAOBXVHWZANO-MRXNPFEDSA-N 1 1 303.837 3.936 10 0 DHAEMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)cc1F ZINC000156976217 524030159 /nfs/dbraw/zinc/03/01/59/524030159.db2.gz MIZPFXLUXXYDIR-AWEZNQCLSA-N 1 1 320.433 3.979 10 0 DHAEMO Cc1ccc(CN(C)CC[C@H]([NH3+])C(C)C)cc1Br ZINC000157108200 524389978 /nfs/dbraw/zinc/38/99/78/524389978.db2.gz ABBPJPODIOGDFB-HNNXBMFYSA-N 1 1 313.283 3.563 10 0 DHAEMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c(C)c1 ZINC000190473723 524470961 /nfs/dbraw/zinc/47/09/61/524470961.db2.gz LSKCFDOXGOTJDR-HXUWFJFHSA-N 1 1 323.484 3.652 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)o1 ZINC000188998832 525737454 /nfs/dbraw/zinc/73/74/54/525737454.db2.gz UPMMZBVHTJTKIV-CQSZACIVSA-N 1 1 313.376 3.823 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)c3cc(F)ccc3F)C2)c1 ZINC000106219860 526266644 /nfs/dbraw/zinc/26/66/44/526266644.db2.gz OEBJLCDVABLYRT-DZGCQCFKSA-N 1 1 305.372 3.868 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)c3cc(F)ccc3F)C2)c1 ZINC000106219860 526266647 /nfs/dbraw/zinc/26/66/47/526266647.db2.gz OEBJLCDVABLYRT-DZGCQCFKSA-N 1 1 305.372 3.868 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)c3cc(F)ccc3F)C2)c1 ZINC000106219864 526268546 /nfs/dbraw/zinc/26/85/46/526268546.db2.gz OEBJLCDVABLYRT-ZFWWWQNUSA-N 1 1 305.372 3.868 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)c3cc(F)ccc3F)C2)c1 ZINC000106219864 526268549 /nfs/dbraw/zinc/26/85/49/526268549.db2.gz OEBJLCDVABLYRT-ZFWWWQNUSA-N 1 1 305.372 3.868 10 0 DHAEMO Cn1c(C[NH2+][C@H](CC2CCC2)c2ccccc2)nnc1C1CC1 ZINC000181356957 527061781 /nfs/dbraw/zinc/06/17/81/527061781.db2.gz WIOGMRBVDRNUBR-QGZVFWFLSA-N 1 1 310.445 3.714 10 0 DHAEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2cccc(-c3cccnc3)c2)cn1 ZINC000131869143 527300072 /nfs/dbraw/zinc/30/00/72/527300072.db2.gz RTVUYAVGNPKRJH-FQEVSTJZSA-N 1 1 318.424 3.819 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1nc2ccccc2o1 ZINC000181136758 527448739 /nfs/dbraw/zinc/44/87/39/527448739.db2.gz FYIFHEXDRBXUNL-DZGCQCFKSA-N 1 1 310.401 3.558 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000180132885 527450618 /nfs/dbraw/zinc/45/06/18/527450618.db2.gz HZRXTTPPRVZMIC-CQSZACIVSA-N 1 1 307.800 3.649 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1oc2ccccc2c1C ZINC000177154096 527450676 /nfs/dbraw/zinc/45/06/76/527450676.db2.gz DNNCGAYBANWMCV-OAHLLOKOSA-N 1 1 323.396 3.551 10 0 DHAEMO CC[C@H](C)[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccncc1 ZINC000055071540 563471163 /nfs/dbraw/zinc/47/11/63/563471163.db2.gz CHYYZFRUQCXIFA-AWEZNQCLSA-N 1 1 300.450 3.903 10 0 DHAEMO CC[C@H](C)[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccncc1 ZINC000055071540 563471164 /nfs/dbraw/zinc/47/11/64/563471164.db2.gz CHYYZFRUQCXIFA-AWEZNQCLSA-N 1 1 300.450 3.903 10 0 DHAEMO Cc1nc([C@H]2[NH2+]CCc3ccsc32)sc1Br ZINC000719295238 563478023 /nfs/dbraw/zinc/47/80/23/563478023.db2.gz XQLFLUNAHDKTSI-QMMMGPOBSA-N 1 1 315.261 3.511 10 0 DHAEMO c1ccc2[nH]c(SC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)nc2c1 ZINC000033435710 563724764 /nfs/dbraw/zinc/72/47/64/563724764.db2.gz AVHMUPJYYXTAQW-BBRMVZONSA-N 1 1 301.459 3.920 10 0 DHAEMO Fc1cc(F)c(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1F ZINC000092788953 1032512265 /nfs/dbraw/zinc/51/22/65/1032512265.db2.gz FWVRWJGEMOBUEG-SNVBAGLBSA-N 1 1 312.360 3.940 10 0 DHAEMO Fc1cc(F)c(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1F ZINC000092788953 1032512273 /nfs/dbraw/zinc/51/22/73/1032512273.db2.gz FWVRWJGEMOBUEG-SNVBAGLBSA-N 1 1 312.360 3.940 10 0 DHAEMO c1ncc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)s1 ZINC000093387097 1032535407 /nfs/dbraw/zinc/53/54/07/1032535407.db2.gz CZFJFFGBLLFULH-HNNXBMFYSA-N 1 1 324.453 3.913 10 0 DHAEMO Cc1[nH+]ccn1-c1cncc(N[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000092976487 1019555798 /nfs/dbraw/zinc/55/57/98/1019555798.db2.gz XGDIRZSJZRBAEL-MRXNPFEDSA-N 1 1 323.375 3.599 10 0 DHAEMO CCC[N@H+](CC(=O)N1CCC[C@@H]1c1cccs1)CC1CC1 ZINC000052891032 1026422361 /nfs/dbraw/zinc/42/23/61/1026422361.db2.gz SJXOHFKIMLZHRO-OAHLLOKOSA-N 1 1 306.475 3.534 10 0 DHAEMO COc1ccc([C@H]2C[C@H](C)[N@H+](Cc3nccn3C(F)F)C2)cc1 ZINC000076390371 1030789685 /nfs/dbraw/zinc/78/96/85/1030789685.db2.gz BRUTYWSNOPWNCJ-JSGCOSHPSA-N 1 1 321.371 3.665 10 0 DHAEMO COc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3nccn3C(F)F)C2)cc1 ZINC000076390371 1030789705 /nfs/dbraw/zinc/78/97/05/1030789705.db2.gz BRUTYWSNOPWNCJ-JSGCOSHPSA-N 1 1 321.371 3.665 10 0 DHAEMO [NH3+][C@H](c1nc2c(s1)CCC2)c1ccc(F)cc1C(F)(F)F ZINC000096795220 185388731 /nfs/dbraw/zinc/38/87/31/185388731.db2.gz MBMPUUMOTYBQBO-LBPRGKRZSA-N 1 1 316.323 3.838 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000090224411 185287270 /nfs/dbraw/zinc/28/72/70/185287270.db2.gz HUVPHELPBUEFLJ-CXAGYDPISA-N 1 1 314.433 3.559 10 0 DHAEMO CC[C@@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccc(Cl)cc1 ZINC000090224909 185287315 /nfs/dbraw/zinc/28/73/15/185287315.db2.gz SAUILYNAKMISNS-CABCVRRESA-N 1 1 304.825 3.816 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000090224011 185287428 /nfs/dbraw/zinc/28/74/28/185287428.db2.gz DJFSUSPQYCNPDY-YGRLFVJLSA-N 1 1 324.350 3.791 10 0 DHAEMO CCC[C@@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccc(OC)cc1 ZINC000090225566 185287830 /nfs/dbraw/zinc/28/78/30/185287830.db2.gz FMXNZVFOLQKACM-SJORKVTESA-N 1 1 314.433 3.561 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc(Cl)c3F)C2)no1 ZINC000092814268 185343544 /nfs/dbraw/zinc/34/35/44/185343544.db2.gz BESONSBSFZHXCC-GFCCVEGCSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3F)C2)no1 ZINC000092814268 185343545 /nfs/dbraw/zinc/34/35/45/185343545.db2.gz BESONSBSFZHXCC-GFCCVEGCSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1ccc2cc(CN[C@H](C[NH+](C)C)c3ccccc3)ccc2n1 ZINC000187635880 200137877 /nfs/dbraw/zinc/13/78/77/200137877.db2.gz RMKUSSLNBOOAMC-OAQYLSRUSA-N 1 1 319.452 3.936 10 0 DHAEMO c1ccc(C[N@@H+]2CCc3nc(Nc4ccccc4)ncc3C2)cc1 ZINC000015779268 182016623 /nfs/dbraw/zinc/01/66/23/182016623.db2.gz YBSJYPUZXRFZNO-UHFFFAOYSA-N 1 1 316.408 3.779 10 0 DHAEMO c1ccc(C[N@H+]2CCc3nc(Nc4ccccc4)ncc3C2)cc1 ZINC000015779268 182016624 /nfs/dbraw/zinc/01/66/24/182016624.db2.gz YBSJYPUZXRFZNO-UHFFFAOYSA-N 1 1 316.408 3.779 10 0 DHAEMO CCCOc1c(Cl)cc(C[NH2+]Cc2ccccn2)cc1OC ZINC000020931687 182255020 /nfs/dbraw/zinc/25/50/20/182255020.db2.gz WBOJVKIWEYESSB-UHFFFAOYSA-N 1 1 320.820 3.822 10 0 DHAEMO Cc1c(C[N@@H+]2CCC[C@@H](N3CCCC3)C2)c2ccccc2n1C ZINC000020877727 182251386 /nfs/dbraw/zinc/25/13/86/182251386.db2.gz FZSCKPGBDHOBJQ-QGZVFWFLSA-N 1 1 311.473 3.547 10 0 DHAEMO Cc1c(C[N@H+]2CCC[C@@H](N3CCCC3)C2)c2ccccc2n1C ZINC000020877727 182251389 /nfs/dbraw/zinc/25/13/89/182251389.db2.gz FZSCKPGBDHOBJQ-QGZVFWFLSA-N 1 1 311.473 3.547 10 0 DHAEMO CC(C)C[C@H](C)[N@H+](C)CC(=O)c1ccccc1Br ZINC000042586871 183287651 /nfs/dbraw/zinc/28/76/51/183287651.db2.gz WLQWGJCFHPVLCI-LBPRGKRZSA-N 1 1 312.251 3.998 10 0 DHAEMO CC(C)C[C@H](C)[N@@H+](C)CC(=O)c1ccccc1Br ZINC000042586871 183287653 /nfs/dbraw/zinc/28/76/53/183287653.db2.gz WLQWGJCFHPVLCI-LBPRGKRZSA-N 1 1 312.251 3.998 10 0 DHAEMO C[C@@H](N[C@@H](C)C[NH+]1CCCC1)c1sccc1Br ZINC000042598355 183289408 /nfs/dbraw/zinc/28/94/08/183289408.db2.gz PWFUXCCVSTWRFQ-WDEREUQCSA-N 1 1 317.296 3.646 10 0 DHAEMO CC[C@@H](C)[N@@H+](CCOC)Cc1cc(Br)cs1 ZINC000043687291 183380394 /nfs/dbraw/zinc/38/03/94/183380394.db2.gz NUPXSXGXPLJGGI-SNVBAGLBSA-N 1 1 306.269 3.758 10 0 DHAEMO CC(C)c1ccccc1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000104972839 194059945 /nfs/dbraw/zinc/05/99/45/194059945.db2.gz PBXHKYGPUPOZIC-OAHLLOKOSA-N 1 1 301.434 3.512 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC000105851448 194146525 /nfs/dbraw/zinc/14/65/25/194146525.db2.gz GPIWZBSOZOXLNZ-KRWDZBQOSA-N 1 1 311.429 3.540 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000105897149 194161522 /nfs/dbraw/zinc/16/15/22/194161522.db2.gz VCSXLZMXCJWGPR-GOSISDBHSA-N 1 1 320.440 3.831 10 0 DHAEMO COc1ccc(-c2cc3ccc(N(C)C)cc3c(N)[nH+]2)cc1OC ZINC000058575338 184122476 /nfs/dbraw/zinc/12/24/76/184122476.db2.gz IIAOWXKKNHRDQZ-UHFFFAOYSA-N 1 1 323.396 3.567 10 0 DHAEMO C[N@@H+](CC[C@H](O)c1ccc(Br)cc1)CC1CCC1 ZINC000061485233 184171543 /nfs/dbraw/zinc/17/15/43/184171543.db2.gz JBAHSDHGOHBZKO-HNNXBMFYSA-N 1 1 312.251 3.605 10 0 DHAEMO C[C@H](NCC[N@@H+](C)C1CC1)c1c(Cl)ccc(F)c1Cl ZINC000061992703 184200546 /nfs/dbraw/zinc/20/05/46/184200546.db2.gz YZIOAYSDBGMWRZ-VIFPVBQESA-N 1 1 305.224 3.877 10 0 DHAEMO Brc1ccc([C@@H]2C[NH2+][C@@H](c3ccccc3)CO2)s1 ZINC000063003339 184266026 /nfs/dbraw/zinc/26/60/26/184266026.db2.gz XHHXKYCCPBJYOZ-NEPJUHHUSA-N 1 1 324.243 3.913 10 0 DHAEMO CN(C)[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000503716546 257209543 /nfs/dbraw/zinc/20/95/43/257209543.db2.gz GVWQHTDXXGHFEL-XUVXKRRUSA-N 1 1 310.416 3.658 10 0 DHAEMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2csc(C)n2)cc1OC ZINC000040490988 331934436 /nfs/dbraw/zinc/93/44/36/331934436.db2.gz LHRPQXAXQCBDAX-MNOVXSKESA-N 1 1 306.431 3.881 10 0 DHAEMO CC(C)Oc1cccc(CN[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000129309330 332018351 /nfs/dbraw/zinc/01/83/51/332018351.db2.gz CRDWLTXHNYFMMH-HXUWFJFHSA-N 1 1 312.457 3.866 10 0 DHAEMO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000172340345 333061620 /nfs/dbraw/zinc/06/16/20/333061620.db2.gz QYOZSJZDNCKRPE-AWEZNQCLSA-N 1 1 319.412 3.555 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000178453041 333138969 /nfs/dbraw/zinc/13/89/69/333138969.db2.gz LAUFKZOUTSKCLB-CYBMUJFWSA-N 1 1 300.450 3.755 10 0 DHAEMO CC[N@@H+]1CCC[C@H](NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000040502775 333353557 /nfs/dbraw/zinc/35/35/57/333353557.db2.gz DATLFURVQFQCHG-ZDUSSCGKSA-N 1 1 318.795 3.515 10 0 DHAEMO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ccccc1OC ZINC000127064354 334874348 /nfs/dbraw/zinc/87/43/48/334874348.db2.gz BEVBXLVDWPFRLO-AWEZNQCLSA-N 1 1 309.413 3.916 10 0 DHAEMO O=[S@@](CCNc1cc[nH+]c2ccsc21)Cc1ccccc1 ZINC000301406082 336304745 /nfs/dbraw/zinc/30/47/45/336304745.db2.gz URWXPRXBFQACBI-NRFANRHFSA-N 1 1 316.451 3.657 10 0 DHAEMO Fc1ccc(-c2csc(N3CC[N@H+]4CCCC[C@H]4C3)n2)cc1 ZINC000301603307 336317890 /nfs/dbraw/zinc/31/78/90/336317890.db2.gz KXWPOTQRSVOSKD-HNNXBMFYSA-N 1 1 317.433 3.624 10 0 DHAEMO Cc1cccc2c(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)ccnc12 ZINC000301652878 336321038 /nfs/dbraw/zinc/32/10/38/336321038.db2.gz GYSZGGWUEYJRKL-SJORKVTESA-N 1 1 309.457 3.995 10 0 DHAEMO Cc1cccc2c(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)ccnc12 ZINC000301652878 336321039 /nfs/dbraw/zinc/32/10/39/336321039.db2.gz GYSZGGWUEYJRKL-SJORKVTESA-N 1 1 309.457 3.995 10 0 DHAEMO C[C@@H]1C[C@@H](CNc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccccc1 ZINC000301884324 336336075 /nfs/dbraw/zinc/33/60/75/336336075.db2.gz NUKUWUVVKFEEON-WBVHZDCISA-N 1 1 320.440 3.885 10 0 DHAEMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000123044552 337034565 /nfs/dbraw/zinc/03/45/65/337034565.db2.gz HHGXKWPXDCQVBJ-MOTZXUDYSA-N 1 1 311.429 3.550 10 0 DHAEMO Cc1csc([C@H]2CCC[N@@H+](C[C@](C)(O)c3ccccc3)C2)n1 ZINC000170778562 337082959 /nfs/dbraw/zinc/08/29/59/337082959.db2.gz OQCBUBPBZFNZMU-YJBOKZPZSA-N 1 1 316.470 3.539 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C)CCc3ccccc3)C2)no1 ZINC000171403003 337087167 /nfs/dbraw/zinc/08/71/67/337087167.db2.gz VVZNHNSRYZKJTK-MAUKXSAKSA-N 1 1 313.445 3.654 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)o1 ZINC000172593891 337130277 /nfs/dbraw/zinc/13/02/77/337130277.db2.gz IPFKFAHDWDBXMN-WDEREUQCSA-N 1 1 308.328 3.544 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccc(Cl)cc2)o1 ZINC000172879911 337131681 /nfs/dbraw/zinc/13/16/81/337131681.db2.gz BXELQDUPHNHXFC-QWHCGFSZSA-N 1 1 320.820 3.597 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc2cc(F)ccc2s1 ZINC000176998287 337154192 /nfs/dbraw/zinc/15/41/92/337154192.db2.gz YDIZYSZPJMLSMN-CQSZACIVSA-N 1 1 320.433 3.597 10 0 DHAEMO CCc1cccc(C)c1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000177497500 337156311 /nfs/dbraw/zinc/15/63/11/337156311.db2.gz YRTORMPLGAUCIQ-IRXDYDNUSA-N 1 1 315.461 3.648 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000178285200 337162007 /nfs/dbraw/zinc/16/20/07/337162007.db2.gz OSHDZYMKNCQAMK-GOSISDBHSA-N 1 1 324.403 3.543 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000178886170 337167415 /nfs/dbraw/zinc/16/74/15/337167415.db2.gz MQVQCRVLQVXDPT-HOTGVXAUSA-N 1 1 317.477 3.825 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3cccc(Cl)c3F)C2)c1 ZINC000179544970 337170137 /nfs/dbraw/zinc/17/01/37/337170137.db2.gz CRKUKYIFSDHITN-AWEZNQCLSA-N 1 1 307.800 3.821 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3F)C2)c1 ZINC000179544970 337170138 /nfs/dbraw/zinc/17/01/38/337170138.db2.gz CRKUKYIFSDHITN-AWEZNQCLSA-N 1 1 307.800 3.821 10 0 DHAEMO Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000184250022 337197537 /nfs/dbraw/zinc/19/75/37/337197537.db2.gz SXRXAGLVIYLDIK-ZBFHGGJFSA-N 1 1 305.466 3.502 10 0 DHAEMO C[C@@H](c1cccc(Cl)c1F)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000187042934 337261367 /nfs/dbraw/zinc/26/13/67/337261367.db2.gz KPSOYXPWZSLYTI-STQMWFEESA-N 1 1 322.815 3.544 10 0 DHAEMO Cc1coc2ccc(NC(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)cc12 ZINC000187926464 337268783 /nfs/dbraw/zinc/26/87/83/337268783.db2.gz GNZYUTRNZDEZRJ-BLLLJJGKSA-N 1 1 315.417 3.591 10 0 DHAEMO CCC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccsc1 ZINC000187739035 337269680 /nfs/dbraw/zinc/26/96/80/337269680.db2.gz XCFADBHWMRSOBT-TZMCWYRMSA-N 1 1 304.463 3.868 10 0 DHAEMO CN(Cc1ccc(Br)c(Cl)c1)CC(C)(C)C[NH3+] ZINC000234288221 337297999 /nfs/dbraw/zinc/29/79/99/337297999.db2.gz PBFFSCMQINNUDK-UHFFFAOYSA-N 1 1 319.674 3.519 10 0 DHAEMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000122726205 337396956 /nfs/dbraw/zinc/39/69/56/337396956.db2.gz AYLWFMVPBHOVBU-SFHVURJKSA-N 1 1 313.445 3.773 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H](C)c2ccccc2)o1 ZINC000249557376 337570696 /nfs/dbraw/zinc/57/06/96/337570696.db2.gz MDYUGZDUYDNDIP-ILXRZTDVSA-N 1 1 300.402 3.505 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000249589315 337570788 /nfs/dbraw/zinc/57/07/88/337570788.db2.gz OVNNVEOIMRQPAB-PJGLDBICSA-N 1 1 306.450 3.568 10 0 DHAEMO FC1(c2ccc(Cl)cc2)CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261660075 337607728 /nfs/dbraw/zinc/60/77/28/337607728.db2.gz FPGLAERXUSIWLY-AWEZNQCLSA-N 1 1 310.844 3.600 10 0 DHAEMO CC(C)c1nn(C)cc1N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000304070292 340359443 /nfs/dbraw/zinc/35/94/43/340359443.db2.gz DFVINNQZESQMHA-DOTOQJQBSA-N 1 1 312.461 3.618 10 0 DHAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc2ccccc21 ZINC000173330414 340362639 /nfs/dbraw/zinc/36/26/39/340362639.db2.gz ZFWRYYUWDBUQJX-IAGOWNOFSA-N 1 1 323.440 3.930 10 0 DHAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc2ccccc21 ZINC000173330429 340362659 /nfs/dbraw/zinc/36/26/59/340362659.db2.gz ZFWRYYUWDBUQJX-DLBZAZTESA-N 1 1 323.440 3.930 10 0 DHAEMO c1ccc(CCC[NH2+]C2(c3noc(C4CC4)n3)CCCC2)cc1 ZINC000174245027 340384793 /nfs/dbraw/zinc/38/47/93/340384793.db2.gz GBDGOXXEUXFGJK-UHFFFAOYSA-N 1 1 311.429 3.939 10 0 DHAEMO C[N@@H+](CCOc1ccccc1F)Cc1ccc2ccccc2n1 ZINC000072878882 341109940 /nfs/dbraw/zinc/10/99/40/341109940.db2.gz WTURIXWXOJSGFO-UHFFFAOYSA-N 1 1 310.372 3.885 10 0 DHAEMO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000132219964 341118733 /nfs/dbraw/zinc/11/87/33/341118733.db2.gz GFYUMDPBSCQIAM-FUHWJXTLSA-N 1 1 318.436 3.584 10 0 DHAEMO CCc1nnc(C[N@@H+](C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)n1C ZINC000245459999 341295503 /nfs/dbraw/zinc/29/55/03/341295503.db2.gz DXTJJLPHEARZLT-QWHCGFSZSA-N 1 1 320.868 3.655 10 0 DHAEMO CC(C)n1nnnc1C[N@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000245475763 341296095 /nfs/dbraw/zinc/29/60/95/341296095.db2.gz SFLRCHAZJRIZRD-STQMWFEESA-N 1 1 321.856 3.531 10 0 DHAEMO CC(C)n1nnnc1C[N@@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000245475763 341296096 /nfs/dbraw/zinc/29/60/96/341296096.db2.gz SFLRCHAZJRIZRD-STQMWFEESA-N 1 1 321.856 3.531 10 0 DHAEMO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000245505653 341298120 /nfs/dbraw/zinc/29/81/20/341298120.db2.gz GFYUMDPBSCQIAM-AEFFLSMTSA-N 1 1 318.436 3.584 10 0 DHAEMO C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246115584 341327327 /nfs/dbraw/zinc/32/73/27/341327327.db2.gz KDZBRETUHJIKNW-KGLIPLIRSA-N 1 1 317.383 3.855 10 0 DHAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[C@H](C)c1ccccc1 ZINC000246257072 341338593 /nfs/dbraw/zinc/33/85/93/341338593.db2.gz KHFUVHZSUZFIKQ-UHOSZYNNSA-N 1 1 314.473 3.656 10 0 DHAEMO C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246335227 341342625 /nfs/dbraw/zinc/34/26/25/341342625.db2.gz DWPKFFDOUULOCJ-LZJOCLMNSA-N 1 1 324.468 3.553 10 0 DHAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)sc2Cl)C1 ZINC000247292958 341363144 /nfs/dbraw/zinc/36/31/44/341363144.db2.gz KXUXBEVMSVAHSI-PSASIEDQSA-N 1 1 321.273 3.513 10 0 DHAEMO CC(C)c1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000247325654 341363506 /nfs/dbraw/zinc/36/35/06/341363506.db2.gz LVUOZEYQSWGDBT-YOEHRIQHSA-N 1 1 301.434 3.510 10 0 DHAEMO CC(C)Sc1ccccc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247346215 341363854 /nfs/dbraw/zinc/36/38/54/341363854.db2.gz NUABABBSVCRRMM-GOEBONIOSA-N 1 1 320.502 3.646 10 0 DHAEMO CC(C)CO[C@H](C)c1noc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1 ZINC000248444322 341377936 /nfs/dbraw/zinc/37/79/36/341377936.db2.gz WCCFMDYYKBXYTJ-FZKCQIBNSA-N 1 1 321.465 3.814 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@H+](CC[C@H](C)c3ccccc3)C2)no1 ZINC000248997114 341391594 /nfs/dbraw/zinc/39/15/94/341391594.db2.gz PIMJUPHOARZAMK-DOTOQJQBSA-N 1 1 313.445 3.826 10 0 DHAEMO CCCC(=O)N[C@@H]1CCC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000249088055 341393419 /nfs/dbraw/zinc/39/34/19/341393419.db2.gz UDXMXSQTBCLQAS-FUHWJXTLSA-N 1 1 302.462 3.561 10 0 DHAEMO COCCCN1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000159242334 341692271 /nfs/dbraw/zinc/69/22/71/341692271.db2.gz WLJNGKOINDHKGT-QXAKKESOSA-N 1 1 310.526 3.538 10 0 DHAEMO CC(C)c1nnc(C[NH2+][C@@H](C)c2cccc3ccccc32)n1C ZINC000181668012 519887954 /nfs/dbraw/zinc/88/79/54/519887954.db2.gz OAWHBMTVJMNGPM-AWEZNQCLSA-N 1 1 308.429 3.943 10 0 DHAEMO CC(C)n1ncc2cc(C[N@@H+]3CCS[C@@H](C)C3)c(Cl)nc21 ZINC000131324098 520082652 /nfs/dbraw/zinc/08/26/52/520082652.db2.gz IEJKTCIRVMPFQL-NSHDSACASA-N 1 1 324.881 3.603 10 0 DHAEMO CC(C)n1ncc2cc(C[N@H+]3CCS[C@@H](C)C3)c(Cl)nc21 ZINC000131324098 520082658 /nfs/dbraw/zinc/08/26/58/520082658.db2.gz IEJKTCIRVMPFQL-NSHDSACASA-N 1 1 324.881 3.603 10 0 DHAEMO CCCc1nc(C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)cs1 ZINC000180831333 521515371 /nfs/dbraw/zinc/51/53/71/521515371.db2.gz OKPIDUSOKSUKNB-LBPRGKRZSA-N 1 1 320.458 3.964 10 0 DHAEMO CCc1csc([C@H]2CCC[N@@H+](Cc3cncc(C)c3)C2)n1 ZINC000189830983 522117700 /nfs/dbraw/zinc/11/77/00/522117700.db2.gz NUOUWABXQDTIPK-HNNXBMFYSA-N 1 1 301.459 3.789 10 0 DHAEMO Cc1ccc(C[N@H+]2CCCN(Cc3csc(C)n3)CC2)s1 ZINC000157250969 524446011 /nfs/dbraw/zinc/44/60/11/524446011.db2.gz KKHAQROCSHOFSB-UHFFFAOYSA-N 1 1 321.515 3.529 10 0 DHAEMO Cc1cccc(NCc2cccnc2OCc2ccccc2)[nH+]1 ZINC000157111970 524686838 /nfs/dbraw/zinc/68/68/38/524686838.db2.gz WNVCLKXUQSUBFP-UHFFFAOYSA-N 1 1 305.381 3.976 10 0 DHAEMO Cc1c([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)cnn1C(C)C ZINC000191136235 525903338 /nfs/dbraw/zinc/90/33/38/525903338.db2.gz JFULKQHKDXVLCR-BEFAXECRSA-N 1 1 314.477 3.726 10 0 DHAEMO C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000181150397 526179779 /nfs/dbraw/zinc/17/97/79/526179779.db2.gz ARJZRLXDBRUJRL-HBUWYVDXSA-N 1 1 300.402 3.516 10 0 DHAEMO OC[C@@H]1C[N@@H+](CCSc2ccccc2)C[C@H]1c1ccsc1 ZINC000188153280 527594270 /nfs/dbraw/zinc/59/42/70/527594270.db2.gz RJFHVWPHOGKIKU-RDJZCZTQSA-N 1 1 319.495 3.548 10 0 DHAEMO COc1ccc([C@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)cc1F ZINC000120437382 536903700 /nfs/dbraw/zinc/90/37/00/536903700.db2.gz WRIQXZNJLONFCH-KSSFIOAISA-N 1 1 316.420 3.788 10 0 DHAEMO C[C@H](c1cccs1)[N@H+](C)Cc1cnc(-c2ccccn2)nc1 ZINC000067675585 563488849 /nfs/dbraw/zinc/48/88/49/563488849.db2.gz LRFQHDODZWQOKP-CYBMUJFWSA-N 1 1 310.426 3.793 10 0 DHAEMO C[C@H](c1cccs1)[N@@H+](C)Cc1cnc(-c2ccccn2)nc1 ZINC000067675585 563488850 /nfs/dbraw/zinc/48/88/50/563488850.db2.gz LRFQHDODZWQOKP-CYBMUJFWSA-N 1 1 310.426 3.793 10 0 DHAEMO CCCO[C@H]1CCC[N@@H+](Cc2c(C)nc3sc(C)cn23)CC1 ZINC000093317537 1032529319 /nfs/dbraw/zinc/52/93/19/1032529319.db2.gz XPMSDNKQMPMRCK-HNNXBMFYSA-N 1 1 321.490 3.794 10 0 DHAEMO Cn1cccc1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093387333 1032536253 /nfs/dbraw/zinc/53/62/53/1032536253.db2.gz ZOPKIBJQNKTGGF-KRWDZBQOSA-N 1 1 320.440 3.795 10 0 DHAEMO CC[C@@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccc(Cl)s1 ZINC000090224680 185287259 /nfs/dbraw/zinc/28/72/59/185287259.db2.gz VYJVRGVISUNRHE-MNOVXSKESA-N 1 1 310.854 3.877 10 0 DHAEMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1C ZINC000092812017 185343580 /nfs/dbraw/zinc/34/35/80/185343580.db2.gz BWLUPTWXDSZUAP-GOSISDBHSA-N 1 1 324.472 3.958 10 0 DHAEMO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1C ZINC000092812017 185343581 /nfs/dbraw/zinc/34/35/81/185343581.db2.gz BWLUPTWXDSZUAP-GOSISDBHSA-N 1 1 324.472 3.958 10 0 DHAEMO Nc1cccc(C[N@H+]2CC[C@@H](Nc3cccc4cnccc43)C2)c1 ZINC000003942811 181057958 /nfs/dbraw/zinc/05/79/58/181057958.db2.gz KDILGLNJDNVPLP-GOSISDBHSA-N 1 1 318.424 3.503 10 0 DHAEMO CC(C)C[C@@H]([NH3+])c1nc(-c2ccc(Br)cc2)no1 ZINC000019785658 182148559 /nfs/dbraw/zinc/14/85/59/182148559.db2.gz BBZYGZHNVLOOJQ-LLVKDONJSA-N 1 1 310.195 3.545 10 0 DHAEMO Fc1cccc(-c2n[nH]c3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000023369552 182358376 /nfs/dbraw/zinc/35/83/76/182358376.db2.gz OWNSHRUIMQRVOU-UHFFFAOYSA-N 1 1 307.372 3.774 10 0 DHAEMO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1ccccc1)CC2 ZINC000039386892 183018211 /nfs/dbraw/zinc/01/82/11/183018211.db2.gz NVUIKIQDZRMQBL-UHFFFAOYSA-N 1 1 315.438 3.526 10 0 DHAEMO COCC[N@H+](CC(C)C)[C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000042370399 183259662 /nfs/dbraw/zinc/25/96/62/183259662.db2.gz RGLNWHKBEPZTAW-NSHDSACASA-N 1 1 303.855 3.577 10 0 DHAEMO COCC[N@@H+](CC(C)C)[C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000042370399 183259665 /nfs/dbraw/zinc/25/96/65/183259665.db2.gz RGLNWHKBEPZTAW-NSHDSACASA-N 1 1 303.855 3.577 10 0 DHAEMO CC(C)[N@@H+](CC1CC1)[C@@H](CN)c1cc(Br)cs1 ZINC000042580566 183287078 /nfs/dbraw/zinc/28/70/78/183287078.db2.gz VTZZNOBIPYELMD-LBPRGKRZSA-N 1 1 317.296 3.631 10 0 DHAEMO CC(C)N(CC1CC1)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042580566 183287079 /nfs/dbraw/zinc/28/70/79/183287079.db2.gz VTZZNOBIPYELMD-LBPRGKRZSA-N 1 1 317.296 3.631 10 0 DHAEMO CCCC[N@@H+]([C@H](C)CC)[C@@H](CN)c1ccc(Br)o1 ZINC000042602922 183290801 /nfs/dbraw/zinc/29/08/01/183290801.db2.gz JTKDUDZIINBVOQ-NEPJUHHUSA-N 1 1 317.271 3.943 10 0 DHAEMO CCCCN([C@H](C)CC)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042602922 183290804 /nfs/dbraw/zinc/29/08/04/183290804.db2.gz JTKDUDZIINBVOQ-NEPJUHHUSA-N 1 1 317.271 3.943 10 0 DHAEMO CC[C@@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](CC)C(C)C ZINC000043020323 183328343 /nfs/dbraw/zinc/32/83/43/183328343.db2.gz BARSZRFBCOGEMA-HUUCEWRRSA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CC)C(C)C ZINC000043020323 183328345 /nfs/dbraw/zinc/32/83/45/183328345.db2.gz BARSZRFBCOGEMA-HUUCEWRRSA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@H](N)[C@H](c1cccc(Br)c1)[N@@H+](C)CC(C)C ZINC000043020379 183329065 /nfs/dbraw/zinc/32/90/65/183329065.db2.gz MPOBURSQCXAMBL-GJZGRUSLSA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CC(C)C ZINC000043020379 183329067 /nfs/dbraw/zinc/32/90/67/183329067.db2.gz MPOBURSQCXAMBL-GJZGRUSLSA-N 1 1 313.283 3.815 10 0 DHAEMO C[C@@H](N)[C@H](c1cccc(Br)c1)[N@@H+](C)[C@@H](C)C1CC1 ZINC000043020626 183329643 /nfs/dbraw/zinc/32/96/43/183329643.db2.gz MLXMDUFGQQEVCS-JRPNMDOOSA-N 1 1 311.267 3.568 10 0 DHAEMO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)[C@@H](C)C1CC1 ZINC000043020626 183329644 /nfs/dbraw/zinc/32/96/44/183329644.db2.gz MLXMDUFGQQEVCS-JRPNMDOOSA-N 1 1 311.267 3.568 10 0 DHAEMO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171438 194188638 /nfs/dbraw/zinc/18/86/38/194188638.db2.gz DKXFMWYBMOQLNK-STQMWFEESA-N 1 1 322.815 3.544 10 0 DHAEMO COc1ccc2c(c1)CCC[C@H]2N[C@H](C[NH+](C)C)c1ccccc1 ZINC000120436820 195166396 /nfs/dbraw/zinc/16/63/96/195166396.db2.gz WITAWUZQEZWDNE-NHCUHLMSSA-N 1 1 324.468 3.965 10 0 DHAEMO CO[C@H]1CC[N@@H+](Cc2csc(C)n2)C[C@H]1Cc1ccccc1 ZINC000247983370 257113157 /nfs/dbraw/zinc/11/31/57/257113157.db2.gz YDMZLZHPINGFBY-AEFFLSMTSA-N 1 1 316.470 3.531 10 0 DHAEMO c1coc(C[N@H+]2C[C@@H]3O[C@@H](c4nc(C5CC5)cs4)C[C@H]3C2)c1 ZINC000503720302 257207307 /nfs/dbraw/zinc/20/73/07/257207307.db2.gz RIBNMBOEQPLDBB-MAZHCROVSA-N 1 1 316.426 3.576 10 0 DHAEMO c1coc(C[N@@H+]2C[C@@H]3O[C@@H](c4nc(C5CC5)cs4)C[C@H]3C2)c1 ZINC000503720302 257207308 /nfs/dbraw/zinc/20/73/08/257207308.db2.gz RIBNMBOEQPLDBB-MAZHCROVSA-N 1 1 316.426 3.576 10 0 DHAEMO C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000120428466 132142235 /nfs/dbraw/zinc/14/22/35/132142235.db2.gz BOSUYKPELBRRED-SCLBCKFNSA-N 1 1 304.384 3.918 10 0 DHAEMO COc1ccc([C@@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)cc1F ZINC000120437552 132142284 /nfs/dbraw/zinc/14/22/84/132142284.db2.gz WRIQXZNJLONFCH-KDOFPFPSSA-N 1 1 316.420 3.788 10 0 DHAEMO C[C@H](CC1CCCCC1)c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000329703525 336060824 /nfs/dbraw/zinc/06/08/24/336060824.db2.gz IIXOJJDSZHWLGB-VNQPRFMTSA-N 1 1 319.449 3.679 10 0 DHAEMO C[C@H](CC1CCCCC1)c1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000329703525 336060826 /nfs/dbraw/zinc/06/08/26/336060826.db2.gz IIXOJJDSZHWLGB-VNQPRFMTSA-N 1 1 319.449 3.679 10 0 DHAEMO Cc1cncc(-c2nc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)no2)c1 ZINC000333560364 336205530 /nfs/dbraw/zinc/20/55/30/336205530.db2.gz NZTWNJJKTCXODM-GOEBONIOSA-N 1 1 312.417 3.595 10 0 DHAEMO CCS[C@@H]1CC[C@]1(O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000301497529 336310499 /nfs/dbraw/zinc/31/04/99/336310499.db2.gz UYQQXAOOMSNEQJ-CVEARBPZSA-N 1 1 322.861 3.947 10 0 DHAEMO CC[S@](=O)[C@@H]1CCC[C@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000301579860 336316322 /nfs/dbraw/zinc/31/63/22/336316322.db2.gz UKSBTZDKMHJFJG-ZBUHCNDUSA-N 1 1 308.472 3.788 10 0 DHAEMO c1ccc2[nH+]c(NCCCc3nc4c(s3)CCCC4)[nH]c2c1 ZINC000301899824 336337116 /nfs/dbraw/zinc/33/71/16/336337116.db2.gz YMGDTQCZXCFVIR-UHFFFAOYSA-N 1 1 312.442 3.943 10 0 DHAEMO COc1cccc2c(NC[C@H](O)Cc3ccccc3)c(C)c[nH+]c12 ZINC000302692140 336365175 /nfs/dbraw/zinc/36/51/75/336365175.db2.gz ZUVHAOSNNBZQQF-MRXNPFEDSA-N 1 1 322.408 3.567 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@@H+](CCc3scnc3C)C2)n1 ZINC000172531744 337129909 /nfs/dbraw/zinc/12/99/09/337129909.db2.gz DEHHJIUIJGYVKM-CYBMUJFWSA-N 1 1 307.488 3.639 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)o1 ZINC000172593886 337130226 /nfs/dbraw/zinc/13/02/26/337130226.db2.gz IPFKFAHDWDBXMN-GHMZBOCLSA-N 1 1 308.328 3.544 10 0 DHAEMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1nc2ccccc2o1)c1ccccc1 ZINC000174378912 337141225 /nfs/dbraw/zinc/14/12/25/337141225.db2.gz JGEFJEZXXXYJJM-WMZOPIPTSA-N 1 1 322.408 3.916 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 ZINC000175384206 337145651 /nfs/dbraw/zinc/14/56/51/337145651.db2.gz GRKVVUCBLMOFIE-HNNXBMFYSA-N 1 1 305.466 3.681 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(C(F)F)c1 ZINC000176336406 337150859 /nfs/dbraw/zinc/15/08/59/337150859.db2.gz RJGWCMCFPIJTAE-AWEZNQCLSA-N 1 1 311.376 3.572 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1Cl ZINC000176975961 337153948 /nfs/dbraw/zinc/15/39/48/337153948.db2.gz XDMRYKBQUTWCPI-LBPRGKRZSA-N 1 1 315.244 3.550 10 0 DHAEMO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)c1nnc2n1CCCC2 ZINC000177461277 337156188 /nfs/dbraw/zinc/15/61/88/337156188.db2.gz BHMKCNFXGQYMGL-WMLDXEAASA-N 1 1 310.445 3.733 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CC2(C)CCCCC2)C1 ZINC000178815447 337167261 /nfs/dbraw/zinc/16/72/61/337167261.db2.gz QWFJFBHJBQYJSV-MRXNPFEDSA-N 1 1 317.477 3.970 10 0 DHAEMO C[C@@H]([NH2+][C@H]1CC2(CCCC2)Oc2ccccc21)c1nccn1C ZINC000183343145 337191423 /nfs/dbraw/zinc/19/14/23/337191423.db2.gz 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CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000106217649 522600321 /nfs/dbraw/zinc/60/03/21/522600321.db2.gz DLGAOBXVHWZANO-INIZCTEOSA-N 1 1 303.837 3.936 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)N(c2ccccc2)C(C)C)o1 ZINC000183066266 525918139 /nfs/dbraw/zinc/91/81/39/525918139.db2.gz KHLDZQRZMBQBPI-HNNXBMFYSA-N 1 1 300.402 3.680 10 0 DHAEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H]3CCCc4ccccc43)C2)n1 ZINC000106178188 526760670 /nfs/dbraw/zinc/76/06/70/526760670.db2.gz RVJCOPIDFJUXEJ-YLJYHZDGSA-N 1 1 324.472 3.685 10 0 DHAEMO OC[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1c1ccsc1 ZINC000188069280 527596415 /nfs/dbraw/zinc/59/64/15/527596415.db2.gz VUBWXBSLOFXRHO-GJZGRUSLSA-N 1 1 307.846 3.609 10 0 DHAEMO Clc1sc([C@H]2[NH2+]CCc3ccoc32)cc1Br ZINC000701386624 568414054 /nfs/dbraw/zinc/41/40/54/568414054.db2.gz MWZKOXBRNZLMRM-SECBINFHSA-N 1 1 318.623 3.992 10 0 DHAEMO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593061 563495779 /nfs/dbraw/zinc/49/57/79/563495779.db2.gz IBDBUXNMQVARBX-HLLBOEOZSA-N 1 1 318.461 3.953 10 0 DHAEMO CC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104213 563894377 /nfs/dbraw/zinc/89/43/77/563894377.db2.gz FUSLSEXIXNBEDD-QGZVFWFLSA-N 1 1 323.358 3.877 10 0 DHAEMO CC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104213 563894378 /nfs/dbraw/zinc/89/43/78/563894378.db2.gz FUSLSEXIXNBEDD-QGZVFWFLSA-N 1 1 323.358 3.877 10 0 DHAEMO CC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104212 563894463 /nfs/dbraw/zinc/89/44/63/563894463.db2.gz FUSLSEXIXNBEDD-KRWDZBQOSA-N 1 1 323.358 3.877 10 0 DHAEMO CC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104212 563894464 /nfs/dbraw/zinc/89/44/64/563894464.db2.gz FUSLSEXIXNBEDD-KRWDZBQOSA-N 1 1 323.358 3.877 10 0 DHAEMO CC(=O)N(C1CCC1)[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)CC1 ZINC000328632928 563929803 /nfs/dbraw/zinc/92/98/03/563929803.db2.gz LPAJUDSVQLGTHT-IEBWSBKVSA-N 1 1 304.478 3.598 10 0 DHAEMO Brc1cscc1[C@H]1[NH2+]CCc2sccc21 ZINC000397143105 568414996 /nfs/dbraw/zinc/41/49/96/568414996.db2.gz DRUCYTNAWSKBQI-NSHDSACASA-N 1 1 300.246 3.807 10 0 DHAEMO C[N@H+](Cc1ncc(-c2ccccc2Cl)o1)[C@H]1CCSC1 ZINC000089936597 1032373906 /nfs/dbraw/zinc/37/39/06/1032373906.db2.gz QYNPMKMARHUKAV-NSHDSACASA-N 1 1 308.834 3.932 10 0 DHAEMO C[N@@H+](Cc1ncc(-c2ccccc2Cl)o1)[C@H]1CCSC1 ZINC000089936597 1032373913 /nfs/dbraw/zinc/37/39/13/1032373913.db2.gz QYNPMKMARHUKAV-NSHDSACASA-N 1 1 308.834 3.932 10 0 DHAEMO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccc(C(C)(C)C)cc2)C1 ZINC000095752099 185383827 /nfs/dbraw/zinc/38/38/27/185383827.db2.gz YIWWHBLNPHYESE-INIZCTEOSA-N 1 1 318.461 3.866 10 0 DHAEMO [NH3+][C@@H](c1nc2c(s1)CCC2)c1ccc(F)cc1C(F)(F)F ZINC000096795221 185388793 /nfs/dbraw/zinc/38/87/93/185388793.db2.gz MBMPUUMOTYBQBO-GFCCVEGCSA-N 1 1 316.323 3.838 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000090223328 185287199 /nfs/dbraw/zinc/28/71/99/185287199.db2.gz UCDQYTZAQZHUAL-RDTXWAMCSA-N 1 1 312.461 3.971 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000090224842 185287410 /nfs/dbraw/zinc/28/74/10/185287410.db2.gz RCGQCHREHYWGIZ-FZKQIMNGSA-N 1 1 310.445 3.651 10 0 DHAEMO C[N@H+]([C@H](CN)c1ccc(Br)s1)C1CCCCC1 ZINC000019407410 182122182 /nfs/dbraw/zinc/12/21/82/182122182.db2.gz IPXLLEOYPXYXDO-LLVKDONJSA-N 1 1 317.296 3.775 10 0 DHAEMO C[N@@H+]([C@H](CN)c1ccc(Br)s1)C1CCCCC1 ZINC000019407410 182122185 /nfs/dbraw/zinc/12/21/85/182122185.db2.gz IPXLLEOYPXYXDO-LLVKDONJSA-N 1 1 317.296 3.775 10 0 DHAEMO Cc1c(-c2ccc(Br)cc2)[nH+]c2ccc(N)cn12 ZINC000019953227 182169155 /nfs/dbraw/zinc/16/91/55/182169155.db2.gz PZTTWYZTQUTPQH-UHFFFAOYSA-N 1 1 302.175 3.654 10 0 DHAEMO Cc1ccc(COc2cccc(C[NH2+]CCCN(C)C)c2)cc1 ZINC000020874478 182250723 /nfs/dbraw/zinc/25/07/23/182250723.db2.gz RQPZSXSBKSEWGR-UHFFFAOYSA-N 1 1 312.457 3.615 10 0 DHAEMO CC(C)CN(CC(C)C)c1nc[nH+]c(NC2CCCCC2)c1N ZINC000040708463 183120751 /nfs/dbraw/zinc/12/07/51/183120751.db2.gz VZIOMWFRQRCIBC-UHFFFAOYSA-N 1 1 319.497 3.922 10 0 DHAEMO CCCCC[N@H+](C(C)C)[C@@H](CN)c1ccc(Br)o1 ZINC000042555092 183284282 /nfs/dbraw/zinc/28/42/82/183284282.db2.gz SLFFKSFJKPLGRD-LBPRGKRZSA-N 1 1 317.271 3.943 10 0 DHAEMO CCCCC[N@@H+](C(C)C)[C@@H](CN)c1ccc(Br)o1 ZINC000042555092 183284284 /nfs/dbraw/zinc/28/42/84/183284284.db2.gz SLFFKSFJKPLGRD-LBPRGKRZSA-N 1 1 317.271 3.943 10 0 DHAEMO CC(C)C[N@H+]([C@@H](CN)c1ccc(Br)s1)C1CC1 ZINC000042555293 183284333 /nfs/dbraw/zinc/28/43/33/183284333.db2.gz PQNKNDHQFIOVFI-NSHDSACASA-N 1 1 317.296 3.631 10 0 DHAEMO CC(C)C[N@@H+]([C@@H](CN)c1ccc(Br)s1)C1CC1 ZINC000042555293 183284335 /nfs/dbraw/zinc/28/43/35/183284335.db2.gz PQNKNDHQFIOVFI-NSHDSACASA-N 1 1 317.296 3.631 10 0 DHAEMO CC(C)C[C@@H](C)[N@H+](C)[C@@H](CN)c1cc(Br)cs1 ZINC000042577551 183286553 /nfs/dbraw/zinc/28/65/53/183286553.db2.gz UHBUMIFRXSBNFS-PWSUYJOCSA-N 1 1 319.312 3.877 10 0 DHAEMO CC(C)C[C@@H](C)[N@@H+](C)[C@@H](CN)c1cc(Br)cs1 ZINC000042577551 183286554 /nfs/dbraw/zinc/28/65/54/183286554.db2.gz UHBUMIFRXSBNFS-PWSUYJOCSA-N 1 1 319.312 3.877 10 0 DHAEMO CC(C)[N@@H+](CC1CC1)[C@H](CN)c1ccc(Br)cc1 ZINC000042580082 183286994 /nfs/dbraw/zinc/28/69/94/183286994.db2.gz PCKNJDVJLVAGLG-OAHLLOKOSA-N 1 1 311.267 3.569 10 0 DHAEMO C[C@@H]([N@H+](C)CC(=O)c1ccccc1Br)C(C)(C)C ZINC000042773722 183306623 /nfs/dbraw/zinc/30/66/23/183306623.db2.gz DOJLUQFMUQYKPF-LLVKDONJSA-N 1 1 312.251 3.998 10 0 DHAEMO C[C@@H]([N@@H+](C)CC(=O)c1ccccc1Br)C(C)(C)C ZINC000042773722 183306625 /nfs/dbraw/zinc/30/66/25/183306625.db2.gz DOJLUQFMUQYKPF-LLVKDONJSA-N 1 1 312.251 3.998 10 0 DHAEMO CC[C@@H](N)[C@H](c1ccc(Br)cc1)[N@H+](C)CC1CC1 ZINC000042954051 183322091 /nfs/dbraw/zinc/32/20/91/183322091.db2.gz DAQKWBGQDUDPAR-CABCVRRESA-N 1 1 311.267 3.569 10 0 DHAEMO CC[C@@H](N)[C@H](c1ccc(Br)cc1)[N@@H+](C)CC1CC1 ZINC000042954051 183322092 /nfs/dbraw/zinc/32/20/92/183322092.db2.gz DAQKWBGQDUDPAR-CABCVRRESA-N 1 1 311.267 3.569 10 0 DHAEMO CCC(CC)[N@@H+](C)[C@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020647 183329907 /nfs/dbraw/zinc/32/99/07/183329907.db2.gz JATYNYXXERTEKI-ABAIWWIYSA-N 1 1 313.283 3.958 10 0 DHAEMO CCC(CC)N(C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020647 183329913 /nfs/dbraw/zinc/32/99/13/183329913.db2.gz JATYNYXXERTEKI-ABAIWWIYSA-N 1 1 313.283 3.958 10 0 DHAEMO CCC[C@H](C)[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020654 183330062 /nfs/dbraw/zinc/33/00/62/183330062.db2.gz RICJQHFLJIWQJD-YWPYICTPSA-N 1 1 313.283 3.958 10 0 DHAEMO CCC[C@H](C)N(C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020654 183330065 /nfs/dbraw/zinc/33/00/65/183330065.db2.gz RICJQHFLJIWQJD-YWPYICTPSA-N 1 1 313.283 3.958 10 0 DHAEMO Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@@H](C)c3cccc(F)c3)C2)n1 ZINC000106176962 194189665 /nfs/dbraw/zinc/18/96/65/194189665.db2.gz AEKYPLJDQBDJCZ-BBRMVZONSA-N 1 1 316.424 3.507 10 0 DHAEMO CC1(C)CCC[N@H+]1CC[C@H](O)c1cccc(Br)c1 ZINC000063073591 184269239 /nfs/dbraw/zinc/26/92/39/184269239.db2.gz GEVJXMYRDZZTHW-AWEZNQCLSA-N 1 1 312.251 3.747 10 0 DHAEMO CCn1c([C@H]2CC[N@@H+](Cc3ccsc3)C2)nc2cccnc21 ZINC000065285339 184321452 /nfs/dbraw/zinc/32/14/52/184321452.db2.gz RSRCUSSBHOQNEP-AWEZNQCLSA-N 1 1 312.442 3.502 10 0 DHAEMO Cc1ccc(Sc2ccc([C@@H]3[NH2+]CCc4nc[nH]c43)o2)cc1 ZINC000065492070 184353628 /nfs/dbraw/zinc/35/36/28/184353628.db2.gz SWCQRNMZQNXWCT-KRWDZBQOSA-N 1 1 311.410 3.697 10 0 DHAEMO Clc1cccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1Cl ZINC000063197968 331488398 /nfs/dbraw/zinc/48/83/98/331488398.db2.gz KWIRGAAHJOCHPC-HNNXBMFYSA-N 1 1 313.272 3.957 10 0 DHAEMO [NH3+][C@@H]1CC[C@@H]2CN(Cc3sc4ccccc4c3Cl)C[C@H]12 ZINC000261774166 332276434 /nfs/dbraw/zinc/27/64/34/332276434.db2.gz PANYOAJGWISSJP-KGYLQXTDSA-N 1 1 306.862 3.724 10 0 DHAEMO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1Cl ZINC000050395194 332354176 /nfs/dbraw/zinc/35/41/76/332354176.db2.gz AALZEJARSFAGMQ-OIBJUYFYSA-N 1 1 321.635 3.576 10 0 DHAEMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261804356 332389995 /nfs/dbraw/zinc/38/99/95/332389995.db2.gz YZRVNTRRKLBULQ-SMDDNHRTSA-N 1 1 300.368 3.826 10 0 DHAEMO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261804356 332389997 /nfs/dbraw/zinc/38/99/97/332389997.db2.gz YZRVNTRRKLBULQ-SMDDNHRTSA-N 1 1 300.368 3.826 10 0 DHAEMO C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccncc1 ZINC000180156860 333026982 /nfs/dbraw/zinc/02/69/82/333026982.db2.gz IAGIPILRKZJYBB-LRGNLBRXSA-N 1 1 321.468 3.643 10 0 DHAEMO C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccncc1 ZINC000180156860 333026983 /nfs/dbraw/zinc/02/69/83/333026983.db2.gz IAGIPILRKZJYBB-LRGNLBRXSA-N 1 1 321.468 3.643 10 0 DHAEMO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1cccc(F)c1F ZINC000183213080 333053045 /nfs/dbraw/zinc/05/30/45/333053045.db2.gz ZYJRDIXLAASEJV-GUYCJALGSA-N 1 1 304.384 3.918 10 0 DHAEMO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)C)n2C)cc1 ZINC000179532396 333152127 /nfs/dbraw/zinc/15/21/27/333152127.db2.gz DQGMUNOJMPGTTL-CQSZACIVSA-N 1 1 316.449 3.577 10 0 DHAEMO Cc1cc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c(C)s1 ZINC000188108614 333241421 /nfs/dbraw/zinc/24/14/21/333241421.db2.gz LXOVORQRIWAIDO-HOTGVXAUSA-N 1 1 307.484 3.634 10 0 DHAEMO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1CCSCc1ccccc1 ZINC000192673989 336258523 /nfs/dbraw/zinc/25/85/23/336258523.db2.gz METQSQZFGGETMQ-KRWDZBQOSA-N 1 1 301.459 3.870 10 0 DHAEMO OC1(CNc2cc[nH+]c3cc(Cl)ccc23)CCSCC1 ZINC000301556169 336314654 /nfs/dbraw/zinc/31/46/54/336314654.db2.gz SCNHSRUZENLSHX-UHFFFAOYSA-N 1 1 308.834 3.558 10 0 DHAEMO CC(C)C[N@H+]1CCC[C@H]1CNc1nc(C(F)(F)F)cs1 ZINC000301864331 336334959 /nfs/dbraw/zinc/33/49/59/336334959.db2.gz UTUFTUIJLRRAJR-JTQLQIEISA-N 1 1 307.385 3.694 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc(C)c(Cl)c3)C2)no1 ZINC000193856900 337079763 /nfs/dbraw/zinc/07/97/63/337079763.db2.gz QYZYMUBHMRWSDP-AWEZNQCLSA-N 1 1 319.836 3.795 10 0 DHAEMO CCOCCN1CC[N@@H+](CC[C@@H](C)c2ccccc2)C[C@@H]1CC ZINC000193900809 337080021 /nfs/dbraw/zinc/08/00/21/337080021.db2.gz DRXDNJKLVFDZRD-QUCCMNQESA-N 1 1 318.505 3.613 10 0 DHAEMO CCOCC[N@@H+]1CCN(CC[C@@H](C)c2ccccc2)C[C@@H]1CC ZINC000193900809 337080022 /nfs/dbraw/zinc/08/00/22/337080022.db2.gz DRXDNJKLVFDZRD-QUCCMNQESA-N 1 1 318.505 3.613 10 0 DHAEMO CCOCC[N@H+]1CCN(CC[C@@H](C)c2ccccc2)C[C@@H]1CC ZINC000193900809 337080023 /nfs/dbraw/zinc/08/00/23/337080023.db2.gz DRXDNJKLVFDZRD-QUCCMNQESA-N 1 1 318.505 3.613 10 0 DHAEMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccn(C(C)C)n2)C12CCCC2 ZINC000172670150 337129356 /nfs/dbraw/zinc/12/93/56/337129356.db2.gz PSRAURWHLXTGIS-DLBZAZTESA-N 1 1 305.466 3.634 10 0 DHAEMO Cc1csc([C@H]2CCC[N@@H+](C[C@H](O)c3ccc(C)cc3)C2)n1 ZINC000174764146 337143448 /nfs/dbraw/zinc/14/34/48/337143448.db2.gz VMODKKUXDQLWPT-IRXDYDNUSA-N 1 1 316.470 3.673 10 0 DHAEMO CCCCCC[C@@H](C)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000177176972 337154463 /nfs/dbraw/zinc/15/44/63/337154463.db2.gz IGXBLMYOQNZRAZ-WBVHZDCISA-N 1 1 305.466 3.789 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1CCSc1ccccc1F ZINC000178321953 337163979 /nfs/dbraw/zinc/16/39/79/337163979.db2.gz XQTZVRMSADHEIX-OAHLLOKOSA-N 1 1 319.449 3.587 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3F)C2)c1 ZINC000179544955 337170076 /nfs/dbraw/zinc/17/00/76/337170076.db2.gz CRKUKYIFSDHITN-CQSZACIVSA-N 1 1 307.800 3.821 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3F)C2)c1 ZINC000179544955 337170077 /nfs/dbraw/zinc/17/00/77/337170077.db2.gz CRKUKYIFSDHITN-CQSZACIVSA-N 1 1 307.800 3.821 10 0 DHAEMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000179530478 337170149 /nfs/dbraw/zinc/17/01/49/337170149.db2.gz ZIAJKOCBYLYJOJ-ZRNYNZGJSA-N 1 1 324.472 3.710 10 0 DHAEMO Cn1cc([C@H]2CC[N@@H+](C/C=C/c3ccc(Cl)cc3)C2)cn1 ZINC000179806600 337171884 /nfs/dbraw/zinc/17/18/84/337171884.db2.gz NQAVGRZUFARLMO-FAAWYNLUSA-N 1 1 301.821 3.576 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@@H+](CC(C)(C)c3ccccc3)C2)no1 ZINC000179999704 337173047 /nfs/dbraw/zinc/17/30/47/337173047.db2.gz YRQRFVORYHIRAJ-MRXNPFEDSA-N 1 1 313.445 3.610 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181101678 337179802 /nfs/dbraw/zinc/17/98/02/337179802.db2.gz DOTHRXKMTYIKNV-LSDHHAIUSA-N 1 1 324.428 3.985 10 0 DHAEMO Cc1csc([C@H]2CCC[N@@H+](CCCC(=O)OC(C)(C)C)C2)n1 ZINC000181651778 337183627 /nfs/dbraw/zinc/18/36/27/337183627.db2.gz MSSQTLBOQDUPNC-AWEZNQCLSA-N 1 1 324.490 3.753 10 0 DHAEMO C[C@H]([NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21)c1nccn1C ZINC000183343093 337191432 /nfs/dbraw/zinc/19/14/32/337191432.db2.gz VKGHCQMCUREBSA-GOEBONIOSA-N 1 1 311.429 3.907 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000186219849 337254755 /nfs/dbraw/zinc/25/47/55/337254755.db2.gz VZBZERTXMDAVMX-IAGOWNOFSA-N 1 1 310.445 3.705 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3ccc(C)nc3C)C2)n1 ZINC000186909570 337260343 /nfs/dbraw/zinc/26/03/43/337260343.db2.gz XAVRIZYHWLYYGI-MRXNPFEDSA-N 1 1 301.459 3.843 10 0 DHAEMO Cc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c(C)c1 ZINC000190298444 337286512 /nfs/dbraw/zinc/28/65/12/337286512.db2.gz NVHBAMWJAXDEHL-ROUUACIJSA-N 1 1 301.455 3.573 10 0 DHAEMO COc1ccc(Cl)c(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000192058433 337302275 /nfs/dbraw/zinc/30/22/75/337302275.db2.gz SJMQLTXHSMWJEA-HNNXBMFYSA-N 1 1 319.836 3.518 10 0 DHAEMO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N[C@@H](C)c1ccccn1)c1ccccn1 ZINC000584614401 337372663 /nfs/dbraw/zinc/37/26/63/337372663.db2.gz HOBKROOOALTDOO-WOUAJJJCSA-N 1 1 324.472 3.789 10 0 DHAEMO COc1cc2c(cc1OC)[C@@H]1C[C@H](c3ccccc3)C[N@H+]1CC2 ZINC000584649273 337380543 /nfs/dbraw/zinc/38/05/43/337380543.db2.gz GGMQYTBZZVMOEE-WMZOPIPTSA-N 1 1 309.409 3.791 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000249589316 337570786 /nfs/dbraw/zinc/57/07/86/337570786.db2.gz OVNNVEOIMRQPAB-YMILTQATSA-N 1 1 306.450 3.568 10 0 DHAEMO CCc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1 ZINC000194021008 340588174 /nfs/dbraw/zinc/58/81/74/340588174.db2.gz VNNZXXLBQIFEDW-KBPBESRZSA-N 1 1 300.402 3.828 10 0 DHAEMO CC(C)OCCC[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134847593 341225103 /nfs/dbraw/zinc/22/51/03/341225103.db2.gz FFBLSNYPEUQCDK-QGZVFWFLSA-N 1 1 307.409 3.678 10 0 DHAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000246389230 341347019 /nfs/dbraw/zinc/34/70/19/341347019.db2.gz KMCGMEXZIQTNNF-WMLDXEAASA-N 1 1 317.477 3.834 10 0 DHAEMO CCc1cccc(CC)c1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246432449 341348628 /nfs/dbraw/zinc/34/86/28/341348628.db2.gz NIIGQHTVYIAICU-PBHICJAKSA-N 1 1 317.477 3.662 10 0 DHAEMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000248450697 341378105 /nfs/dbraw/zinc/37/81/05/341378105.db2.gz FRMOLTXTTCUQPY-ZACQAIPSSA-N 1 1 316.493 3.968 10 0 DHAEMO CCc1nnc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)n1C ZINC000182566728 522742789 /nfs/dbraw/zinc/74/27/89/522742789.db2.gz LVDHSEMCWDHJLL-QGZVFWFLSA-N 1 1 318.852 3.662 10 0 DHAEMO CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000154562768 522933278 /nfs/dbraw/zinc/93/32/78/522933278.db2.gz SZICQUGAVBFSMX-DOTOQJQBSA-N 1 1 316.424 3.768 10 0 DHAEMO CCn1cc([C@H]2C[N@H+](Cc3ccc4ccccc4c3)CCO2)cn1 ZINC000191702672 523482904 /nfs/dbraw/zinc/48/29/04/523482904.db2.gz BVFPTGPBWMGFQA-HXUWFJFHSA-N 1 1 321.424 3.630 10 0 DHAEMO CCn1cc([C@H]2C[N@@H+](Cc3ccc4ccccc4c3)CCO2)cn1 ZINC000191702672 523482917 /nfs/dbraw/zinc/48/29/17/523482917.db2.gz BVFPTGPBWMGFQA-HXUWFJFHSA-N 1 1 321.424 3.630 10 0 DHAEMO Cc1cccc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)[nH+]1 ZINC000157707491 524541777 /nfs/dbraw/zinc/54/17/77/524541777.db2.gz UTUUGVLCPDVOGD-UHFFFAOYSA-N 1 1 310.323 3.516 10 0 DHAEMO Cc1cc(C[N@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)no1 ZINC000127780009 524689608 /nfs/dbraw/zinc/68/96/08/524689608.db2.gz PGIITPPMSNTWDG-ZDUSSCGKSA-N 1 1 305.447 3.943 10 0 DHAEMO Cc1cc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)no1 ZINC000127780009 524689615 /nfs/dbraw/zinc/68/96/15/524689615.db2.gz PGIITPPMSNTWDG-ZDUSSCGKSA-N 1 1 305.447 3.943 10 0 DHAEMO COc1ccnc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)c1OC ZINC000191047095 524836190 /nfs/dbraw/zinc/83/61/90/524836190.db2.gz UOJIMXZWYRTAFV-JTQLQIEISA-N 1 1 324.783 3.742 10 0 DHAEMO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cccc(C(F)(F)F)c1 ZINC000181601588 525567046 /nfs/dbraw/zinc/56/70/46/525567046.db2.gz PJETXRZXGZLTMP-SNVBAGLBSA-N 1 1 324.350 3.562 10 0 DHAEMO O[C@H](C[C@H]1CCC[N@H+]1Cc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000180240430 526293977 /nfs/dbraw/zinc/29/39/77/526293977.db2.gz VUJQZKAQYWXFHA-UYAOXDASSA-N 1 1 321.424 3.651 10 0 DHAEMO c1cc(C2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)n[nH]1 ZINC000108362743 526418684 /nfs/dbraw/zinc/41/86/84/526418684.db2.gz YOELKPGCHCNMIX-UHFFFAOYSA-N 1 1 314.414 3.506 10 0 DHAEMO Cc1oc2nc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)nc(N)c2c1C ZINC000246858018 526791234 /nfs/dbraw/zinc/79/12/34/526791234.db2.gz UEXOUPCRPHCBKJ-ZIAGYGMSSA-N 1 1 314.433 3.576 10 0 DHAEMO Cn1cc([C@H]2CCC[N@H+]2Cc2cccc(-c3cccnc3)c2)cn1 ZINC000131869359 527317895 /nfs/dbraw/zinc/31/78/95/527317895.db2.gz RTVUYAVGNPKRJH-HXUWFJFHSA-N 1 1 318.424 3.819 10 0 DHAEMO C[C@@H]1CC=C(NC(=O)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000095347737 563528950 /nfs/dbraw/zinc/52/89/50/563528950.db2.gz RMTCVLGVWGLHPG-MRXNPFEDSA-N 1 1 306.409 3.595 10 0 DHAEMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000685953004 563961337 /nfs/dbraw/zinc/96/13/37/563961337.db2.gz RDGBHAQHFTYIEH-XHSDSOJGSA-N 1 1 310.482 3.754 10 0 DHAEMO C[N@H+](CCOCC1CC1)Cc1ncc(-c2ccccc2Cl)o1 ZINC000088599931 1032309990 /nfs/dbraw/zinc/30/99/90/1032309990.db2.gz QXLDLKYYBBZKFR-UHFFFAOYSA-N 1 1 320.820 3.853 10 0 DHAEMO C[N@@H+](CCOCC1CC1)Cc1ncc(-c2ccccc2Cl)o1 ZINC000088599931 1032310003 /nfs/dbraw/zinc/31/00/03/1032310003.db2.gz QXLDLKYYBBZKFR-UHFFFAOYSA-N 1 1 320.820 3.853 10 0 DHAEMO Cc1cc(C)n2c(C[N@H+]3CC=C(c4cccs4)CC3)cnc2n1 ZINC000093533768 1032543353 /nfs/dbraw/zinc/54/33/53/1032543353.db2.gz AEDDSLFIVFVIMI-UHFFFAOYSA-N 1 1 324.453 3.697 10 0 DHAEMO Cc1cc(C)n2c(C[N@@H+]3CC=C(c4cccs4)CC3)cnc2n1 ZINC000093533768 1032543361 /nfs/dbraw/zinc/54/33/61/1032543361.db2.gz AEDDSLFIVFVIMI-UHFFFAOYSA-N 1 1 324.453 3.697 10 0 DHAEMO COc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3nccn3C(F)F)C2)cc1 ZINC000076390375 1030788772 /nfs/dbraw/zinc/78/87/72/1030788772.db2.gz BRUTYWSNOPWNCJ-TZMCWYRMSA-N 1 1 321.371 3.665 10 0 DHAEMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3nccn3C(F)F)C2)cc1 ZINC000076390375 1030788782 /nfs/dbraw/zinc/78/87/82/1030788782.db2.gz BRUTYWSNOPWNCJ-TZMCWYRMSA-N 1 1 321.371 3.665 10 0 DHAEMO CC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2OC)no1 ZINC000061757068 1033392109 /nfs/dbraw/zinc/39/21/09/1033392109.db2.gz NHUGNQBSJAMIDI-CYBMUJFWSA-N 1 1 301.390 3.510 10 0 DHAEMO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cnn(C(C)C)c1 ZINC000076892210 185050498 /nfs/dbraw/zinc/05/04/98/185050498.db2.gz QOYYGOABNMYUTN-CQSZACIVSA-N 1 1 311.433 3.684 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000090224408 185287414 /nfs/dbraw/zinc/28/74/14/185287414.db2.gz HUVPHELPBUEFLJ-GUYCJALGSA-N 1 1 314.433 3.559 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000090224840 185287437 /nfs/dbraw/zinc/28/74/37/185287437.db2.gz RCGQCHREHYWGIZ-ACJLOTCBSA-N 1 1 310.445 3.651 10 0 DHAEMO CC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccc(Cl)s1 ZINC000090224675 185287473 /nfs/dbraw/zinc/28/74/73/185287473.db2.gz VYJVRGVISUNRHE-QWRGUYRKSA-N 1 1 310.854 3.877 10 0 DHAEMO COc1ccccc1C[C@@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)C(C)C ZINC000090528593 185300500 /nfs/dbraw/zinc/30/05/00/185300500.db2.gz XQIKTSPVQJJECT-KBXCAEBGSA-N 1 1 315.461 3.515 10 0 DHAEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)n1 ZINC000092789217 185341625 /nfs/dbraw/zinc/34/16/25/185341625.db2.gz SABMVKRWWDQCMI-CQSZACIVSA-N 1 1 302.443 3.791 10 0 DHAEMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000068593000 190777092 /nfs/dbraw/zinc/77/70/92/190777092.db2.gz UCWSKARTULHLTN-ZOBUZTSGSA-N 1 1 318.461 3.810 10 0 DHAEMO C[C@@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000138162974 186014555 /nfs/dbraw/zinc/01/45/55/186014555.db2.gz RFSKETHKTZEBGO-BFYDXBDKSA-N 1 1 318.461 3.668 10 0 DHAEMO Cc1nc(N(C)C)sc1C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000093453582 193254325 /nfs/dbraw/zinc/25/43/25/193254325.db2.gz TVXVCYFRLZXXEF-OAHLLOKOSA-N 1 1 316.474 3.558 10 0 DHAEMO CC(C)[C@@H](CN[C@@H](C)c1ccc(Br)cc1)[NH+](C)C ZINC000020145577 182192631 /nfs/dbraw/zinc/19/26/31/182192631.db2.gz XTNUTBTVBBQHEQ-SWLSCSKDSA-N 1 1 313.283 3.686 10 0 DHAEMO CCN(Cc1ccncc1)[C@H]1CCC[N@@H+](C/C=C/C(C)C)C1 ZINC000020918341 182253667 /nfs/dbraw/zinc/25/36/67/182253667.db2.gz QTLQRGXCSQZFPI-XZXOBPBMSA-N 1 1 301.478 3.580 10 0 DHAEMO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C/C=C/C(C)C)C1 ZINC000020918341 182253668 /nfs/dbraw/zinc/25/36/68/182253668.db2.gz QTLQRGXCSQZFPI-XZXOBPBMSA-N 1 1 301.478 3.580 10 0 DHAEMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(C/C=C/C(C)C)C1 ZINC000020918341 182253669 /nfs/dbraw/zinc/25/36/69/182253669.db2.gz QTLQRGXCSQZFPI-XZXOBPBMSA-N 1 1 301.478 3.580 10 0 DHAEMO CCCOc1ccc(Cl)cc1CNC[C@H]1CCC[N@H+]1CC ZINC000020967827 182257135 /nfs/dbraw/zinc/25/71/35/182257135.db2.gz PNBCDQZHMVGTSR-MRXNPFEDSA-N 1 1 310.869 3.703 10 0 DHAEMO CCCOc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCN1CC ZINC000020967827 182257138 /nfs/dbraw/zinc/25/71/38/182257138.db2.gz PNBCDQZHMVGTSR-MRXNPFEDSA-N 1 1 310.869 3.703 10 0 DHAEMO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C)C(N)=S ZINC000042444113 183271243 /nfs/dbraw/zinc/27/12/43/183271243.db2.gz JQMRAOWIGGWAJC-VIFPVBQESA-N 1 1 305.274 3.738 10 0 DHAEMO CC[C@@H](C)[N@H+](CCOC)[C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000042587216 183287529 /nfs/dbraw/zinc/28/75/29/183287529.db2.gz YRYZHTSNTLVQOP-MNOVXSKESA-N 1 1 303.855 3.720 10 0 DHAEMO CC[C@@H](C)[N@@H+](CCOC)[C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000042587216 183287532 /nfs/dbraw/zinc/28/75/32/183287532.db2.gz YRYZHTSNTLVQOP-MNOVXSKESA-N 1 1 303.855 3.720 10 0 DHAEMO CCC[N@@H+](C(C)C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020353 183328958 /nfs/dbraw/zinc/32/89/58/183328958.db2.gz JIOCXQAEGUULMP-IUODEOHRSA-N 1 1 313.283 3.958 10 0 DHAEMO CCCN(C(C)C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020353 183328965 /nfs/dbraw/zinc/32/89/65/183328965.db2.gz JIOCXQAEGUULMP-IUODEOHRSA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@@H](N)[C@@H](c1cccc(Br)c1)[N@H+](C)CC1CC1 ZINC000043021048 183329380 /nfs/dbraw/zinc/32/93/80/183329380.db2.gz GDRNMRKDUUXWMP-HUUCEWRRSA-N 1 1 311.267 3.569 10 0 DHAEMO CC[C@@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](C)CC1CC1 ZINC000043021048 183329381 /nfs/dbraw/zinc/32/93/81/183329381.db2.gz GDRNMRKDUUXWMP-HUUCEWRRSA-N 1 1 311.267 3.569 10 0 DHAEMO Oc1ccc(C[NH2+]Cc2nc3ccccc3s2)cc1Cl ZINC000043477201 183365584 /nfs/dbraw/zinc/36/55/84/183365584.db2.gz LBFNZYKXWHHRMI-UHFFFAOYSA-N 1 1 304.802 3.945 10 0 DHAEMO O=C(Nc1ccc2ccccc2c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000104970984 194060631 /nfs/dbraw/zinc/06/06/31/194060631.db2.gz UFOXPSBFPZAAIP-SFHVURJKSA-N 1 1 309.413 3.542 10 0 DHAEMO CCn1cnnc1C1CC[NH+]([C@H](C)c2c(F)cccc2F)CC1 ZINC000105930089 194172596 /nfs/dbraw/zinc/17/25/96/194172596.db2.gz MMYZZFRLZIBYDW-GFCCVEGCSA-N 1 1 320.387 3.517 10 0 DHAEMO Clc1ccc(Br)cc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000061983997 184199761 /nfs/dbraw/zinc/19/97/61/184199761.db2.gz SZMAYGGBEPBQRK-JTQLQIEISA-N 1 1 315.642 3.751 10 0 DHAEMO c1csc(C[N@@H+]2CCC[C@@H]2c2nc(-c3cccnc3)no2)c1 ZINC000065286692 184321560 /nfs/dbraw/zinc/32/15/60/184321560.db2.gz JKDXWGHHAMFTHP-CQSZACIVSA-N 1 1 312.398 3.530 10 0 DHAEMO c1csc(C[N@H+]2CCC[C@@H]2c2nc(-c3cccnc3)no2)c1 ZINC000065286692 184321562 /nfs/dbraw/zinc/32/15/62/184321562.db2.gz JKDXWGHHAMFTHP-CQSZACIVSA-N 1 1 312.398 3.530 10 0 DHAEMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000238855922 257260098 /nfs/dbraw/zinc/26/00/98/257260098.db2.gz UCWSKARTULHLTN-HLLBOEOZSA-N 1 1 318.461 3.810 10 0 DHAEMO C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccc(F)c(F)c1 ZINC000120428307 132141734 /nfs/dbraw/zinc/14/17/34/132141734.db2.gz BOSUYKPELBRRED-ACJLOTCBSA-N 1 1 304.384 3.918 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@@H+](CCCc3cccc(C)c3)C2)no1 ZINC000181080457 332173458 /nfs/dbraw/zinc/17/34/58/332173458.db2.gz IHAORUIPHFAQTI-SFHVURJKSA-N 1 1 313.445 3.574 10 0 DHAEMO [NH3+][C@@H]1CC[C@@H]2CN(Cc3sc4ccccc4c3Cl)C[C@@H]12 ZINC000261774169 332276412 /nfs/dbraw/zinc/27/64/12/332276412.db2.gz PANYOAJGWISSJP-RAIGVLPGSA-N 1 1 306.862 3.724 10 0 DHAEMO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173653448 333076359 /nfs/dbraw/zinc/07/63/59/333076359.db2.gz OWIQRNMCHVOHRA-RHSMWYFYSA-N 1 1 322.412 3.973 10 0 DHAEMO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173653448 333076360 /nfs/dbraw/zinc/07/63/60/333076360.db2.gz OWIQRNMCHVOHRA-RHSMWYFYSA-N 1 1 322.412 3.973 10 0 DHAEMO Cc1cnc(C[N@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)o1 ZINC000173654326 333076427 /nfs/dbraw/zinc/07/64/27/333076427.db2.gz UGUAQHXWLLFOSU-ZDUSSCGKSA-N 1 1 305.447 3.943 10 0 DHAEMO Cc1cnc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)cs3)C2)o1 ZINC000173654326 333076429 /nfs/dbraw/zinc/07/64/29/333076429.db2.gz UGUAQHXWLLFOSU-ZDUSSCGKSA-N 1 1 305.447 3.943 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000179030642 333145346 /nfs/dbraw/zinc/14/53/46/333145346.db2.gz JQTUMXKSYLFZRN-AWEZNQCLSA-N 1 1 300.450 3.656 10 0 DHAEMO OC[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)C[C@H]1c1ccsc1 ZINC000190291222 333269534 /nfs/dbraw/zinc/26/95/34/333269534.db2.gz LPNMDWAJHBFJRK-DRSFHWEPSA-N 1 1 317.429 3.608 10 0 DHAEMO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000101563251 334327336 /nfs/dbraw/zinc/32/73/36/334327336.db2.gz FOCSGKLGHSREKN-HNNXBMFYSA-N 1 1 316.470 3.782 10 0 DHAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCSc2ccccc21 ZINC000167770316 336261661 /nfs/dbraw/zinc/26/16/61/336261661.db2.gz JGEBGLKNPORBNB-KBPBESRZSA-N 1 1 314.458 3.502 10 0 DHAEMO O[C@@H]1CCC[C@H](Nc2cc[nH+]c3c(Br)cccc23)C1 ZINC000301148673 336292127 /nfs/dbraw/zinc/29/21/27/336292127.db2.gz CALGAMQHRTXHGS-WDEREUQCSA-N 1 1 321.218 3.713 10 0 DHAEMO Fc1ccc2[nH]c(CCNc3cc[nH+]c4ccsc43)nc2c1 ZINC000301739942 336326818 /nfs/dbraw/zinc/32/68/18/336326818.db2.gz XEKLEVGKHUZQNI-UHFFFAOYSA-N 1 1 312.373 3.966 10 0 DHAEMO Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c2ccccc2[nH+]1 ZINC000301779756 336329281 /nfs/dbraw/zinc/32/92/81/336329281.db2.gz 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/nfs/dbraw/zinc/13/01/62/337130162.db2.gz WBKABYIAQNPMNM-STQMWFEESA-N 1 1 320.820 3.597 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)c(F)c2)o1 ZINC000172593992 337130287 /nfs/dbraw/zinc/13/02/87/337130287.db2.gz JTBRKYHTKMWNKD-STQMWFEESA-N 1 1 304.365 3.713 10 0 DHAEMO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cccc(Cl)c1 ZINC000173628078 337137037 /nfs/dbraw/zinc/13/70/37/337137037.db2.gz SDBKHLZZWQBQTC-NEPJUHHUSA-N 1 1 304.825 3.680 10 0 DHAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc2ccccc21 ZINC000175003489 337143929 /nfs/dbraw/zinc/14/39/29/337143929.db2.gz AAWQWBACTULOCU-IAGOWNOFSA-N 1 1 308.425 3.539 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1csc(-c2ccsc2)n1 ZINC000175347232 337145391 /nfs/dbraw/zinc/14/53/91/337145391.db2.gz QZMRAUGPOLYUAR-HNNXBMFYSA-N 1 1 321.515 3.788 10 0 DHAEMO CCCCCC[C@@H](C)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000175523677 337147722 /nfs/dbraw/zinc/14/77/22/337147722.db2.gz SJRRHDDUXWXGRM-NVXWUHKLSA-N 1 1 320.481 3.724 10 0 DHAEMO CCCCCC[C@@H](C)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000175523720 337147785 /nfs/dbraw/zinc/14/77/85/337147785.db2.gz SJRRHDDUXWXGRM-WBVHZDCISA-N 1 1 320.481 3.724 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C(F)F)c1 ZINC000176336393 337150957 /nfs/dbraw/zinc/15/09/57/337150957.db2.gz RJGWCMCFPIJTAE-CQSZACIVSA-N 1 1 311.376 3.572 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C)CCC(C)(C)C ZINC000176264772 337151609 /nfs/dbraw/zinc/15/16/09/337151609.db2.gz HHZIYVZFIDQFQF-GOEBONIOSA-N 1 1 320.481 3.580 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)CCC(C)(C)C ZINC000176264786 337151672 /nfs/dbraw/zinc/15/16/72/337151672.db2.gz HHZIYVZFIDQFQF-ZBFHGGJFSA-N 1 1 320.481 3.580 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1Cl ZINC000176975942 337154019 /nfs/dbraw/zinc/15/40/19/337154019.db2.gz XDMRYKBQUTWCPI-GFCCVEGCSA-N 1 1 315.244 3.550 10 0 DHAEMO CCCCC[C@H](C)CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000177187024 337154493 /nfs/dbraw/zinc/15/44/93/337154493.db2.gz JPROALUHXMXRIC-DOTOQJQBSA-N 1 1 305.466 3.789 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCC1CCCCC1 ZINC000177190060 337154529 /nfs/dbraw/zinc/15/45/29/337154529.db2.gz XBKVEDMYPSKCLT-QGZVFWFLSA-N 1 1 303.450 3.543 10 0 DHAEMO CCc1cccc(C)c1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000177497514 337156323 /nfs/dbraw/zinc/15/63/23/337156323.db2.gz YRTORMPLGAUCIQ-DLBZAZTESA-N 1 1 315.461 3.648 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000178313551 337163813 /nfs/dbraw/zinc/16/38/13/337163813.db2.gz RJYRYSWNBFKJRG-MRXNPFEDSA-N 1 1 323.362 3.875 10 0 DHAEMO CCCC(CCC)C(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000178815483 337167213 /nfs/dbraw/zinc/16/72/13/337167213.db2.gz FTPHEJPBPCNRES-INIZCTEOSA-N 1 1 305.466 3.825 10 0 DHAEMO COCc1cccc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000179214239 337168344 /nfs/dbraw/zinc/16/83/44/337168344.db2.gz GHGSGTFNCVIKQM-GOSISDBHSA-N 1 1 313.445 3.520 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cccn1CCC(C)C ZINC000180134058 337171629 /nfs/dbraw/zinc/17/16/29/337171629.db2.gz QNTDOOKVENXGSO-LJQANCHMSA-N 1 1 314.477 3.704 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000184134549 337196478 /nfs/dbraw/zinc/19/64/78/337196478.db2.gz DIKADDIAVCTESA-UAGQMJEPSA-N 1 1 317.477 3.645 10 0 DHAEMO CC(C)CSCCC[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188161629 337271195 /nfs/dbraw/zinc/27/11/95/337271195.db2.gz MIZNUGMSIVHFLM-CVEARBPZSA-N 1 1 313.532 3.535 10 0 DHAEMO OC[C@@H]1C[N@@H+](Cc2coc3ccccc23)C[C@H]1c1ccsc1 ZINC000190283835 337286284 /nfs/dbraw/zinc/28/62/84/337286284.db2.gz XOOYNJUXUXJSNF-YOEHRIQHSA-N 1 1 313.422 3.702 10 0 DHAEMO CCCCN1OC(C[NH3+])=N[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000584614154 337372645 /nfs/dbraw/zinc/37/26/45/337372645.db2.gz VSCMXXFINMZQBT-LJQANCHMSA-N 1 1 309.413 3.757 10 0 DHAEMO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1c(Cl)ccc(F)c1Cl ZINC000151229393 338162434 /nfs/dbraw/zinc/16/24/34/338162434.db2.gz NRJQSRMZDDUYGQ-XNCJUZBTSA-N 1 1 320.113 3.706 10 0 DHAEMO C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1 ZINC000173387836 340363889 /nfs/dbraw/zinc/36/38/89/340363889.db2.gz QVWWSIXJBVJITD-DVOMOZLQSA-N 1 1 323.868 3.525 10 0 DHAEMO CCCC[C@H](CC)CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000175484835 340414092 /nfs/dbraw/zinc/41/40/92/340414092.db2.gz CNEHNQLKILRPQR-IRXDYDNUSA-N 1 1 320.481 3.582 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCCc3ccccc32)o1 ZINC000194021727 340588097 /nfs/dbraw/zinc/58/80/97/340588097.db2.gz RAYSWJCINNFMJJ-LSDHHAIUSA-N 1 1 312.413 3.607 10 0 DHAEMO Cc1ccc([C@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000131008745 341056238 /nfs/dbraw/zinc/05/62/38/341056238.db2.gz WGWLFBWFXWLKCP-KSSFIOAISA-N 1 1 314.404 3.614 10 0 DHAEMO COCCCCC[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134827628 341224722 /nfs/dbraw/zinc/22/47/22/341224722.db2.gz BMZQSYCMAOAGBH-QGZVFWFLSA-N 1 1 307.409 3.680 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccccc1Cl ZINC000245414151 341292290 /nfs/dbraw/zinc/29/22/90/341292290.db2.gz CVBQKYBTUSTTHQ-ZIAGYGMSSA-N 1 1 323.868 3.527 10 0 DHAEMO COc1ccc([C@H](C)C[N@H+]2CCCC[C@@H](N3CCCC3)C2)cc1 ZINC000245858830 341316527 /nfs/dbraw/zinc/31/65/27/341316527.db2.gz ODXYYZOECJLPGD-IEBWSBKVSA-N 1 1 316.489 3.749 10 0 DHAEMO COc1ccc([C@H](C)CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000245858830 341316528 /nfs/dbraw/zinc/31/65/28/341316528.db2.gz ODXYYZOECJLPGD-IEBWSBKVSA-N 1 1 316.489 3.749 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@H+]([C@H](C)c3cc(F)ccc3F)C2)no1 ZINC000245866528 341316646 /nfs/dbraw/zinc/31/66/46/341316646.db2.gz UMIODEVFVXXENX-DGCLKSJQSA-N 1 1 321.371 3.672 10 0 DHAEMO Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCS[C@@H](C)C3)n2)cc1F ZINC000246144169 341329226 /nfs/dbraw/zinc/32/92/26/341329226.db2.gz OIXIEVWFTROKCB-RYUDHWBXSA-N 1 1 321.421 3.682 10 0 DHAEMO Cc1ccc(-c2noc([C@H](C)[N@H+]3CCS[C@@H](C)C3)n2)cc1F ZINC000246144169 341329227 /nfs/dbraw/zinc/32/92/27/341329227.db2.gz OIXIEVWFTROKCB-RYUDHWBXSA-N 1 1 321.421 3.682 10 0 DHAEMO C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246162942 341330634 /nfs/dbraw/zinc/33/06/34/341330634.db2.gz RAOVBHHSXQENBV-KBPBESRZSA-N 1 1 317.383 3.855 10 0 DHAEMO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000246496586 341350807 /nfs/dbraw/zinc/35/08/07/341350807.db2.gz AZUSCARFTKKDMS-YNEHKIRRSA-N 1 1 323.387 3.728 10 0 DHAEMO Cc1nc(C(C)C)sc1[C@H](C)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246588874 341354036 /nfs/dbraw/zinc/35/40/36/341354036.db2.gz ZEKQZYBPLRHQTA-IPYPFGDCSA-N 1 1 309.523 3.954 10 0 DHAEMO Cc1nc(C(C)C)sc1[C@H](C)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246588874 341354037 /nfs/dbraw/zinc/35/40/37/341354037.db2.gz ZEKQZYBPLRHQTA-IPYPFGDCSA-N 1 1 309.523 3.954 10 0 DHAEMO CC(C)c1ccc([C@@H](C)[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000248470835 341378594 /nfs/dbraw/zinc/37/85/94/341378594.db2.gz VKNVLJGJWOEVDG-IAGOWNOFSA-N 1 1 312.461 3.875 10 0 DHAEMO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000248621892 341381946 /nfs/dbraw/zinc/38/19/46/341381946.db2.gz YDAPZMAZSXZKPX-ZACQAIPSSA-N 1 1 308.510 3.685 10 0 DHAEMO FC(F)(F)C1CCC(CN2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000248745666 341385658 /nfs/dbraw/zinc/38/56/58/341385658.db2.gz SBWKLEGHMNMKJD-YMAMQOFZSA-N 1 1 304.400 3.525 10 0 DHAEMO FC(F)(F)C1CCC(C[N@@H+]2CCN3CCCC[C@@H]3C2)CC1 ZINC000248745666 341385659 /nfs/dbraw/zinc/38/56/59/341385659.db2.gz SBWKLEGHMNMKJD-YMAMQOFZSA-N 1 1 304.400 3.525 10 0 DHAEMO FC(F)(F)C1CCC(C[N@H+]2CCN3CCCC[C@@H]3C2)CC1 ZINC000248745666 341385660 /nfs/dbraw/zinc/38/56/60/341385660.db2.gz SBWKLEGHMNMKJD-YMAMQOFZSA-N 1 1 304.400 3.525 10 0 DHAEMO COc1ccc2c(c1)[C@H](N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)CCS2 ZINC000248890122 341389616 /nfs/dbraw/zinc/38/96/16/341389616.db2.gz YRBDGNDVCSVCQI-IAOVAPTHSA-N 1 1 320.502 3.550 10 0 DHAEMO COc1ccc2c(c1)[C@H](N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)CCS2 ZINC000248890122 341389617 /nfs/dbraw/zinc/38/96/17/341389617.db2.gz YRBDGNDVCSVCQI-IAOVAPTHSA-N 1 1 320.502 3.550 10 0 DHAEMO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000127665096 519715995 /nfs/dbraw/zinc/71/59/95/519715995.db2.gz AYOKHSHRLKCWJC-MRXNPFEDSA-N 1 1 315.442 3.829 10 0 DHAEMO CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000127665096 519715997 /nfs/dbraw/zinc/71/59/97/519715997.db2.gz AYOKHSHRLKCWJC-MRXNPFEDSA-N 1 1 315.442 3.829 10 0 DHAEMO CC1(C)C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2O1 ZINC000247250118 520557602 /nfs/dbraw/zinc/55/76/02/520557602.db2.gz ZOGSRIBQMGJCKM-ZOBUZTSGSA-N 1 1 300.446 3.505 10 0 DHAEMO CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000106177486 522944724 /nfs/dbraw/zinc/94/47/24/522944724.db2.gz TZSCKQHIZSMRLS-PKOBYXMFSA-N 1 1 312.461 3.758 10 0 DHAEMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)cc1 ZINC000156970368 524030346 /nfs/dbraw/zinc/03/03/46/524030346.db2.gz PPTYWBWYRZVSLA-HNNXBMFYSA-N 1 1 302.443 3.840 10 0 DHAEMO CCc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)n2C2CC2)cc1 ZINC000181617405 524046823 /nfs/dbraw/zinc/04/68/23/524046823.db2.gz SLBXJPGUIRFWPA-ZDUSSCGKSA-N 1 1 310.445 3.904 10 0 DHAEMO Cc1ccc(CN(C)CC[C@@H]([NH3+])C(C)C)cc1Br ZINC000157108350 524391196 /nfs/dbraw/zinc/39/11/96/524391196.db2.gz ABBPJPODIOGDFB-OAHLLOKOSA-N 1 1 313.283 3.563 10 0 DHAEMO Cc1cc(C[N@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)no1 ZINC000127780225 524683727 /nfs/dbraw/zinc/68/37/27/524683727.db2.gz PGIITPPMSNTWDG-CYBMUJFWSA-N 1 1 305.447 3.943 10 0 DHAEMO Cc1cc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)no1 ZINC000127780225 524683744 /nfs/dbraw/zinc/68/37/44/524683744.db2.gz PGIITPPMSNTWDG-CYBMUJFWSA-N 1 1 305.447 3.943 10 0 DHAEMO Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000158097582 525741022 /nfs/dbraw/zinc/74/10/22/525741022.db2.gz QILXDRXSJNNHJT-JKSUJKDBSA-N 1 1 316.445 3.940 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)c3ccc(F)cc3F)C2)c1 ZINC000106219925 526268493 /nfs/dbraw/zinc/26/84/93/526268493.db2.gz CDESJZLXSCMZSM-ZFWWWQNUSA-N 1 1 305.372 3.868 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)c3ccc(F)cc3F)C2)c1 ZINC000106219925 526268495 /nfs/dbraw/zinc/26/84/95/526268495.db2.gz CDESJZLXSCMZSM-ZFWWWQNUSA-N 1 1 305.372 3.868 10 0 DHAEMO Cn1c(C[NH2+][C@@H](CC2CCC2)c2ccccc2)nnc1C1CC1 ZINC000181356935 527061819 /nfs/dbraw/zinc/06/18/19/527061819.db2.gz WIOGMRBVDRNUBR-KRWDZBQOSA-N 1 1 310.445 3.714 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000180130374 527440712 /nfs/dbraw/zinc/44/07/12/527440712.db2.gz KXOPGZPYWHIJFW-AWEZNQCLSA-N 1 1 318.490 3.610 10 0 DHAEMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000068592937 563494636 /nfs/dbraw/zinc/49/46/36/563494636.db2.gz RFSKETHKTZEBGO-UXLLHSPISA-N 1 1 318.461 3.668 10 0 DHAEMO C[C@H]1[C@H](C)[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000068592775 563495076 /nfs/dbraw/zinc/49/50/76/563495076.db2.gz MIYNQZRSMKSJTR-ZOBUZTSGSA-N 1 1 318.461 3.810 10 0 DHAEMO CCn1c2ncccc2nc1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000065285328 568419461 /nfs/dbraw/zinc/41/94/61/568419461.db2.gz GJRXYPAQWZXPPO-OAHLLOKOSA-N 1 1 324.403 3.580 10 0 DHAEMO Cc1cc(-c2nnc(C[N@@H+]3CC[C@H](C)C[C@H](C)C3)o2)c(C)o1 ZINC000089934681 1014494052 /nfs/dbraw/zinc/49/40/52/1014494052.db2.gz PXYMFTGONZZRIN-RYUDHWBXSA-N 1 1 303.406 3.814 10 0 DHAEMO OCCCC[N@@H+](Cc1ncc(-c2ccccc2Cl)o1)C1CC1 ZINC000075766524 1030686730 /nfs/dbraw/zinc/68/67/30/1030686730.db2.gz WRGMBAJYIKVMQJ-UHFFFAOYSA-N 1 1 320.820 3.732 10 0 DHAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000088559659 185257906 /nfs/dbraw/zinc/25/79/06/185257906.db2.gz YAZNKSZMOMUSSU-LSDHHAIUSA-N 1 1 302.397 3.555 10 0 DHAEMO CCN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000073652501 191337059 /nfs/dbraw/zinc/33/70/59/191337059.db2.gz IORQQMAGEAZMSR-QGZVFWFLSA-N 1 1 318.461 3.908 10 0 DHAEMO Cc1n[nH]cc1C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000093613055 193273670 /nfs/dbraw/zinc/27/36/70/193273670.db2.gz VHZJVYSHAIPMRA-ZDUSSCGKSA-N 1 1 304.463 3.678 10 0 DHAEMO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000020081905 182185328 /nfs/dbraw/zinc/18/53/28/182185328.db2.gz QGXJNMNXCIJUOK-JMSVASOKSA-N 1 1 300.368 3.683 10 0 DHAEMO CCCOc1ccc(CNC[C@@H]2CCC[N@@H+]2CC)cc1Cl ZINC000020967437 182257112 /nfs/dbraw/zinc/25/71/12/182257112.db2.gz VGJZSOYNMLTNNG-HNNXBMFYSA-N 1 1 310.869 3.703 10 0 DHAEMO CCCOc1ccc(CNC[C@@H]2CCC[N@H+]2CC)cc1Cl ZINC000020967437 182257116 /nfs/dbraw/zinc/25/71/16/182257116.db2.gz VGJZSOYNMLTNNG-HNNXBMFYSA-N 1 1 310.869 3.703 10 0 DHAEMO CC(C)(C)NNc1[nH+]cnc(Sc2ccc(Cl)cc2)c1N ZINC000040723087 183124741 /nfs/dbraw/zinc/12/47/41/183124741.db2.gz MROQBSJGPSLBGC-UHFFFAOYSA-N 1 1 323.853 3.578 10 0 DHAEMO C[C@@H](C[NH+]1CCCC1)N[C@@H](C)c1ccc(Br)cc1 ZINC000042597270 183289653 /nfs/dbraw/zinc/28/96/53/183289653.db2.gz IVOQSDUXWMBBAO-STQMWFEESA-N 1 1 311.267 3.584 10 0 DHAEMO CCC(CC)[N@@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042953360 183321197 /nfs/dbraw/zinc/32/11/97/183321197.db2.gz NKDZSIBPRYOEBH-IAQYHMDHSA-N 1 1 313.283 3.958 10 0 DHAEMO CCC[C@H](C)[N@@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042953375 183321944 /nfs/dbraw/zinc/32/19/44/183321944.db2.gz HBUYLTOECQUCOD-YWPYICTPSA-N 1 1 313.283 3.958 10 0 DHAEMO CCC[C@H](C)N(C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953375 183321946 /nfs/dbraw/zinc/32/19/46/183321946.db2.gz HBUYLTOECQUCOD-YWPYICTPSA-N 1 1 313.283 3.958 10 0 DHAEMO CCC[N@@H+](CC)[C@H](c1ccc(Br)cc1)[C@H](N)CC ZINC000042952865 183322120 /nfs/dbraw/zinc/32/21/20/183322120.db2.gz XYLYLHHARMESLN-HUUCEWRRSA-N 1 1 313.283 3.959 10 0 DHAEMO CCCN(CC)[C@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042952865 183322123 /nfs/dbraw/zinc/32/21/23/183322123.db2.gz XYLYLHHARMESLN-HUUCEWRRSA-N 1 1 313.283 3.959 10 0 DHAEMO CC[N@@H+](CC(C)C)[C@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020392 183329120 /nfs/dbraw/zinc/32/91/20/183329120.db2.gz APFJQQVNOXDULS-DOMZBBRYSA-N 1 1 313.283 3.815 10 0 DHAEMO CCN(CC(C)C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020392 183329127 /nfs/dbraw/zinc/32/91/27/183329127.db2.gz APFJQQVNOXDULS-DOMZBBRYSA-N 1 1 313.283 3.815 10 0 DHAEMO CCc1cccc(CC)c1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000104976718 194061671 /nfs/dbraw/zinc/06/16/71/194061671.db2.gz FOVHWDQCCFLYIC-KRWDZBQOSA-N 1 1 315.461 3.513 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)c1 ZINC000105900888 194164107 /nfs/dbraw/zinc/16/41/07/194164107.db2.gz HVJLWYJLDMGOPM-SFHVURJKSA-N 1 1 306.413 3.577 10 0 DHAEMO CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106075520 194184317 /nfs/dbraw/zinc/18/43/17/194184317.db2.gz XYUQUPPWVVSENT-QZTJIDSGSA-N 1 1 310.445 3.529 10 0 DHAEMO CO[C@H]1CC(=C(c2cccs2)c2cccs2)C[N@H+](C)C1 ZINC000059555682 184139508 /nfs/dbraw/zinc/13/95/08/184139508.db2.gz CDLDDIHSXRLVEM-ZDUSSCGKSA-N 1 1 305.468 3.962 10 0 DHAEMO C[N@@H+](Cc1ccccc1Br)C[C@@H]1CCCCC1=O ZINC000060720402 184155120 /nfs/dbraw/zinc/15/51/20/184155120.db2.gz NAFXADLNMAIUOE-ZDUSSCGKSA-N 1 1 310.235 3.640 10 0 DHAEMO C[N@H+](Cc1ccccc1Br)C[C@@H]1CCCCC1=O ZINC000060720402 184155122 /nfs/dbraw/zinc/15/51/22/184155122.db2.gz NAFXADLNMAIUOE-ZDUSSCGKSA-N 1 1 310.235 3.640 10 0 DHAEMO CCCCN(C)C(=O)c1cc2c(s1)C[N@H+](C1CCCC1)C2 ZINC000065239073 184317190 /nfs/dbraw/zinc/31/71/90/184317190.db2.gz ZIQOPRLHBSBHTK-UHFFFAOYSA-N 1 1 306.475 3.878 10 0 DHAEMO c1sc([C@@H]2C[C@H]3CC[N@H+](CC4CC4)C[C@@H]3O2)nc1C1CC1 ZINC000503719545 257208643 /nfs/dbraw/zinc/20/86/43/257208643.db2.gz NGOCNTWOTYVHMW-KBMXLJTQSA-N 1 1 304.459 3.582 10 0 DHAEMO Clc1cc(Cl)cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063197499 331487908 /nfs/dbraw/zinc/48/79/08/331487908.db2.gz KIPJLMRSMGODCP-INIZCTEOSA-N 1 1 313.272 3.957 10 0 DHAEMO CC(C)Oc1cccc(CN[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000129309102 332018452 /nfs/dbraw/zinc/01/84/52/332018452.db2.gz CRDWLTXHNYFMMH-FQEVSTJZSA-N 1 1 312.457 3.866 10 0 DHAEMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261804351 332390175 /nfs/dbraw/zinc/39/01/75/332390175.db2.gz YZRVNTRRKLBULQ-RISCZKNCSA-N 1 1 300.368 3.826 10 0 DHAEMO C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261804351 332390177 /nfs/dbraw/zinc/39/01/77/332390177.db2.gz YZRVNTRRKLBULQ-RISCZKNCSA-N 1 1 300.368 3.826 10 0 DHAEMO COc1ccc([C@H](C)N[C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1OC ZINC000261840157 332489353 /nfs/dbraw/zinc/48/93/53/332489353.db2.gz YPRDCKBPMGNSIB-YQQAZPJKSA-N 1 1 320.477 3.665 10 0 DHAEMO Fc1cc(Br)ccc1C[NH2+][C@H]1COc2ccccc21 ZINC000070070196 334359461 /nfs/dbraw/zinc/35/94/61/334359461.db2.gz YQPQPLYCEKNGFI-AWEZNQCLSA-N 1 1 322.177 3.812 10 0 DHAEMO COc1ccnc(C[NH2+][C@H](C)c2ccc(Cl)s2)c1OC ZINC000188665356 334871064 /nfs/dbraw/zinc/87/10/64/334871064.db2.gz RXKBAIPDXUAXGQ-SECBINFHSA-N 1 1 312.822 3.665 10 0 DHAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000113232272 335261318 /nfs/dbraw/zinc/26/13/18/335261318.db2.gz AZMUIFXWDIGMPN-OXQOHEQNSA-N 1 1 320.436 3.662 10 0 DHAEMO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1nnc3n1CCCC3)CCC2 ZINC000166732482 335828669 /nfs/dbraw/zinc/82/86/69/335828669.db2.gz FSZLNNFKJSVWSR-WMLDXEAASA-N 1 1 310.445 3.651 10 0 DHAEMO [NH3+]C[C@@H]1CN(Cc2ccc(Cl)s2)C[C@H]1c1ccccc1 ZINC000261663769 336051432 /nfs/dbraw/zinc/05/14/32/336051432.db2.gz HCFNEYQXYQCJAS-HIFRSBDPSA-N 1 1 306.862 3.576 10 0 DHAEMO CC(C)(C[C@@H]1CCC[N@H+]([C@H]2CCOC3(CCC3)C2)C1)C(N)=O ZINC000333288501 336201136 /nfs/dbraw/zinc/20/11/36/336201136.db2.gz ZOJWVRZYTUHUOP-GJZGRUSLSA-N 1 1 308.466 3.752 10 0 DHAEMO c1cc2c(ncnc2N[C@H]2CCC[N@H+](C3CCCCC3)C2)s1 ZINC000301201067 336294689 /nfs/dbraw/zinc/29/46/89/336294689.db2.gz MSJPAOYPTKTUHN-ZDUSSCGKSA-N 1 1 316.474 3.900 10 0 DHAEMO c1cc2c(ncnc2N[C@@H]2CCC[N@H+](C3CCCCC3)C2)s1 ZINC000301201065 336294710 /nfs/dbraw/zinc/29/47/10/336294710.db2.gz MSJPAOYPTKTUHN-CYBMUJFWSA-N 1 1 316.474 3.900 10 0 DHAEMO CCc1cc(N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000302053704 336345766 /nfs/dbraw/zinc/34/57/66/336345766.db2.gz PJYKTBCKNILNDS-BBRMVZONSA-N 1 1 311.429 3.738 10 0 DHAEMO CCc1cc(N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)nc(C)[nH+]1 ZINC000302053707 336345768 /nfs/dbraw/zinc/34/57/68/336345768.db2.gz 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Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000172290227 337091568 /nfs/dbraw/zinc/09/15/68/337091568.db2.gz WHUVPTZFFAIWKF-IBGZPJMESA-N 1 1 309.457 3.863 10 0 DHAEMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nccn2C(C)C)C12CCCC2 ZINC000172670641 337129331 /nfs/dbraw/zinc/12/93/31/337129331.db2.gz MIWZSWDNRIUAMU-CVEARBPZSA-N 1 1 305.466 3.634 10 0 DHAEMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nccn2C(C)C)C12CCCC2 ZINC000172670641 337129332 /nfs/dbraw/zinc/12/93/32/337129332.db2.gz MIWZSWDNRIUAMU-CVEARBPZSA-N 1 1 305.466 3.634 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2CCCCCCC2)C1 ZINC000172907281 337132349 /nfs/dbraw/zinc/13/23/49/337132349.db2.gz HMXQNOBBGKXPNB-QGZVFWFLSA-N 1 1 317.477 3.970 10 0 DHAEMO C[C@@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)CCS1 ZINC000173663587 337137275 /nfs/dbraw/zinc/13/72/75/337137275.db2.gz YLINNYKJAILZDW-LLVKDONJSA-N 1 1 305.365 3.565 10 0 DHAEMO COc1cccc([C@H](C)[N@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000175620195 337148491 /nfs/dbraw/zinc/14/84/91/337148491.db2.gz 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/nfs/dbraw/zinc/15/48/92/337154892.db2.gz UPTMUHUYAFPBRD-IRXDYDNUSA-N 1 1 305.466 3.789 10 0 DHAEMO CCn1cc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)cn1 ZINC000178610968 337165504 /nfs/dbraw/zinc/16/55/04/337165504.db2.gz YFLSHHDMLCURCI-KXBFYZLASA-N 1 1 306.413 3.738 10 0 DHAEMO CCC[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1)C(C)C ZINC000179409888 337167779 /nfs/dbraw/zinc/16/77/79/337167779.db2.gz DOTVUEKDQCVAEH-JKSUJKDBSA-N 1 1 305.466 3.681 10 0 DHAEMO CCCCC[C@H](CC)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000181202919 337180353 /nfs/dbraw/zinc/18/03/53/337180353.db2.gz HMUNBYUBTFITQW-DLBZAZTESA-N 1 1 305.466 3.789 10 0 DHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ncc(C(C)C)s1 ZINC000183060664 337191210 /nfs/dbraw/zinc/19/12/10/337191210.db2.gz JBWJOHRUBFYPQR-AWEZNQCLSA-N 1 1 318.490 3.954 10 0 DHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000183060664 337191211 /nfs/dbraw/zinc/19/12/11/337191211.db2.gz JBWJOHRUBFYPQR-AWEZNQCLSA-N 1 1 318.490 3.954 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(Cc2ncc(C(C)C)s2)C1 ZINC000183060832 337191255 /nfs/dbraw/zinc/19/12/55/337191255.db2.gz LCTIOYWTOYLELO-AWEZNQCLSA-N 1 1 318.490 3.863 10 0 DHAEMO CCc1csc([C@@H]2CCC[N@@H+](C[C@@H]3CCC(C)(C)O3)C2)n1 ZINC000184668264 337199688 /nfs/dbraw/zinc/19/96/88/337199688.db2.gz TYKABSDWYFIXGU-HIFRSBDPSA-N 1 1 308.491 3.843 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3F)C2)no1 ZINC000189000687 337276275 /nfs/dbraw/zinc/27/62/75/337276275.db2.gz CJCISEKOECECSD-LBPRGKRZSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3F)C2)no1 ZINC000189000687 337276276 /nfs/dbraw/zinc/27/62/76/337276276.db2.gz CJCISEKOECECSD-LBPRGKRZSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(C2CCC2)cc1 ZINC000188958240 337276944 /nfs/dbraw/zinc/27/69/44/337276944.db2.gz VSEZVMOAVBYIRF-IBGZPJMESA-N 1 1 323.440 3.764 10 0 DHAEMO CCn1cc([C@@H]2C[N@H+](Cc3ccc(C(C)C)cc3)CCO2)cn1 ZINC000191704552 337300729 /nfs/dbraw/zinc/30/07/29/337300729.db2.gz KEQYKHKCEONRBI-IBGZPJMESA-N 1 1 313.445 3.600 10 0 DHAEMO CCn1cc([C@@H]2C[N@@H+](Cc3ccc(C(C)C)cc3)CCO2)cn1 ZINC000191704552 337300730 /nfs/dbraw/zinc/30/07/30/337300730.db2.gz KEQYKHKCEONRBI-IBGZPJMESA-N 1 1 313.445 3.600 10 0 DHAEMO Cc1[nH]c2[nH+]ccc(N3CCOCC3)c2c1-c1ccccc1F ZINC000584620074 337371942 /nfs/dbraw/zinc/37/19/42/337371942.db2.gz FNRAHNQBCOHSCR-UHFFFAOYSA-N 1 1 311.360 3.514 10 0 DHAEMO CC(C)N(N)CC[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584637529 337379483 /nfs/dbraw/zinc/37/94/83/337379483.db2.gz XGVRBNVHVRLOTI-LBPRGKRZSA-N 1 1 306.841 3.663 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccccc3OC(F)F)C2)c1 ZINC000106221326 337387017 /nfs/dbraw/zinc/38/70/17/337387017.db2.gz RJBXPBMYBPSUPC-OAHLLOKOSA-N 1 1 321.371 3.630 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(Cc2csc(C(C)C)n2)C1 ZINC000106213294 337387048 /nfs/dbraw/zinc/38/70/48/337387048.db2.gz RWPNKKKZJLOSDV-OAHLLOKOSA-N 1 1 318.490 3.863 10 0 DHAEMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000122725965 337396996 /nfs/dbraw/zinc/39/69/96/337396996.db2.gz AYLWFMVPBHOVBU-GOSISDBHSA-N 1 1 313.445 3.773 10 0 DHAEMO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cscc1Br ZINC000336695160 337398368 /nfs/dbraw/zinc/39/83/68/337398368.db2.gz ILIBUSVNKYIICH-GFCCVEGCSA-N 1 1 319.312 3.577 10 0 DHAEMO CCCc1ccc([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1 ZINC000130936704 337435336 /nfs/dbraw/zinc/43/53/36/337435336.db2.gz MRIMTPRUEFZFRA-LSDHHAIUSA-N 1 1 312.461 3.979 10 0 DHAEMO Cc1ccc(C(C)(C)C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)cc1 ZINC000195023816 337464577 /nfs/dbraw/zinc/46/45/77/337464577.db2.gz CZJVMWPRYDVDTG-GOSISDBHSA-N 1 1 320.440 3.770 10 0 DHAEMO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000130588759 341030483 /nfs/dbraw/zinc/03/04/83/341030483.db2.gz AGRWZHGUTQBOJP-LJQANCHMSA-N 1 1 321.424 3.915 10 0 DHAEMO Cc1cccc(Cl)c1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000132998272 341151508 /nfs/dbraw/zinc/15/15/08/341151508.db2.gz XCAXRWDKKYZOPS-CQSZACIVSA-N 1 1 323.868 3.890 10 0 DHAEMO CCCCOc1ccccc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000136182038 341254633 /nfs/dbraw/zinc/25/46/33/341254633.db2.gz ZFTBLMIQJJOVIG-UHFFFAOYSA-N 1 1 313.445 3.968 10 0 DHAEMO CC(C)c1cccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000246321867 341342183 /nfs/dbraw/zinc/34/21/83/341342183.db2.gz ANNRGCDZKRLJAB-PBHICJAKSA-N 1 1 301.434 3.510 10 0 DHAEMO CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccc3ccccc3c2)C1 ZINC000247027151 341360098 /nfs/dbraw/zinc/36/00/98/341360098.db2.gz SWRNFPGDEUUZED-DNVCBOLYSA-N 1 1 310.441 3.544 10 0 DHAEMO CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)[C@@H](C)C1 ZINC000247269408 341362967 /nfs/dbraw/zinc/36/29/67/341362967.db2.gz ZWAKPUPJDPABBH-BHYGNILZSA-N 1 1 302.462 3.609 10 0 DHAEMO CCN1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)[C@@H](C)C1 ZINC000247269408 341362969 /nfs/dbraw/zinc/36/29/69/341362969.db2.gz ZWAKPUPJDPABBH-BHYGNILZSA-N 1 1 302.462 3.609 10 0 DHAEMO CCCCOC[C@@H](O)C[N@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000248650189 341382807 /nfs/dbraw/zinc/38/28/07/341382807.db2.gz LSQKYHZTNWHPFQ-IRXDYDNUSA-N 1 1 309.450 3.683 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@H+](C[C@@H]3C(C)=CCC[C@@H]3C)C2)no1 ZINC000249098876 341393844 /nfs/dbraw/zinc/39/38/44/341393844.db2.gz PASHNUDHHNFUIK-USXIJHARSA-N 1 1 303.450 3.625 10 0 DHAEMO CC(C)C[C@H]([NH2+]Cc1nnc(C(C)C)n1C)c1ccccc1 ZINC000181800132 519398992 /nfs/dbraw/zinc/39/89/92/519398992.db2.gz HWFDGFGUSGUNMM-INIZCTEOSA-N 1 1 300.450 3.816 10 0 DHAEMO CC(C)c1nc2c(n1C)CC[N@@H+](CCCc1cccc(F)c1)C2 ZINC000182763398 519868946 /nfs/dbraw/zinc/86/89/46/519868946.db2.gz DXZNDOUZKXDXMU-UHFFFAOYSA-N 1 1 315.436 3.674 10 0 DHAEMO COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)c2ccc(C)o2)c1 ZINC000182565572 522056701 /nfs/dbraw/zinc/05/67/01/522056701.db2.gz JMFJHUNFYSYPIS-NSHDSACASA-N 1 1 307.777 3.879 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2csc(C)c2C)C1 ZINC000179912577 522590104 /nfs/dbraw/zinc/59/01/04/522590104.db2.gz VSAJIFZUSFFKSP-CQSZACIVSA-N 1 1 317.458 3.601 10 0 DHAEMO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c2ccccc2n1 ZINC000124500595 524684054 /nfs/dbraw/zinc/68/40/54/524684054.db2.gz HBXWPECCGOLADQ-LJQANCHMSA-N 1 1 306.413 3.614 10 0 DHAEMO COc1ccc2ccccc2c1C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000128375527 525650369 /nfs/dbraw/zinc/65/03/69/525650369.db2.gz SLVJKARIKLEVHK-INIZCTEOSA-N 1 1 321.424 3.571 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC(C)C)c2)o1 ZINC000182598319 525928874 /nfs/dbraw/zinc/92/88/74/525928874.db2.gz JFDGYSNDHZLPQN-HNNXBMFYSA-N 1 1 314.429 3.825 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)c3ccc(F)cc3F)C2)c1 ZINC000106219922 526266765 /nfs/dbraw/zinc/26/67/65/526266765.db2.gz CDESJZLXSCMZSM-DZGCQCFKSA-N 1 1 305.372 3.868 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)c3ccc(F)cc3F)C2)c1 ZINC000106219922 526266766 /nfs/dbraw/zinc/26/67/66/526266766.db2.gz CDESJZLXSCMZSM-DZGCQCFKSA-N 1 1 305.372 3.868 10 0 DHAEMO Cc1csc([C@H]2CCC[N@@H+](CCCCCn3cccn3)C2)n1 ZINC000104680968 526442796 /nfs/dbraw/zinc/44/27/96/526442796.db2.gz HQVQKQOBSKVXRM-INIZCTEOSA-N 1 1 318.490 3.698 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(F)ccc3Cl)C2)no1 ZINC000188944298 526922799 /nfs/dbraw/zinc/92/27/99/526922799.db2.gz SQCFPRKWIRJKHM-GFCCVEGCSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cc(F)ccc3Cl)C2)no1 ZINC000188944298 526922803 /nfs/dbraw/zinc/92/28/03/526922803.db2.gz SQCFPRKWIRJKHM-GFCCVEGCSA-N 1 1 323.799 3.625 10 0 DHAEMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000180240410 527663499 /nfs/dbraw/zinc/66/34/99/527663499.db2.gz VUJQZKAQYWXFHA-ICSRJNTNSA-N 1 1 321.424 3.651 10 0 DHAEMO C[C@@H]1[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000068592779 563495047 /nfs/dbraw/zinc/49/50/47/563495047.db2.gz MIYNQZRSMKSJTR-INMHGKMJSA-N 1 1 318.461 3.810 10 0 DHAEMO C[C@@H]1[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000068593165 563495870 /nfs/dbraw/zinc/49/58/70/563495870.db2.gz SUMRNPXVOUVXAY-UXLLHSPISA-N 1 1 318.461 3.810 10 0 DHAEMO Cc1cc(-c2nnc(C[N@@H+]3CC[C@@H](C)C[C@H](C)C3)o2)c(C)o1 ZINC000089934682 1014493728 /nfs/dbraw/zinc/49/37/28/1014493728.db2.gz PXYMFTGONZZRIN-NEPJUHHUSA-N 1 1 303.406 3.814 10 0 DHAEMO O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1cc[nH]c1)c1cccs1 ZINC000091891850 1032463990 /nfs/dbraw/zinc/46/39/90/1032463990.db2.gz GNCAXEDGQMLKCX-JKSUJKDBSA-N 1 1 304.459 3.945 10 0 DHAEMO c1csc(-c2nc(CN3CCC[N@H+](C4CC4)CC3)cs2)c1 ZINC000061041410 1025929955 /nfs/dbraw/zinc/92/99/55/1025929955.db2.gz JSDKNCIOOUNRTL-UHFFFAOYSA-N 1 1 319.499 3.542 10 0 DHAEMO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000095642738 185382975 /nfs/dbraw/zinc/38/29/75/185382975.db2.gz XFKIFDHXCLAUQA-KRWDZBQOSA-N 1 1 318.461 3.764 10 0 DHAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000088559868 185257930 /nfs/dbraw/zinc/25/79/30/185257930.db2.gz VBZJKJSACLHKHI-SMDDNHRTSA-N 1 1 304.825 3.680 10 0 DHAEMO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1C ZINC000092812176 185343377 /nfs/dbraw/zinc/34/33/77/185343377.db2.gz NBOJOXBDOAFQOE-SFHVURJKSA-N 1 1 324.472 3.958 10 0 DHAEMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1C ZINC000092812176 185343378 /nfs/dbraw/zinc/34/33/78/185343378.db2.gz NBOJOXBDOAFQOE-SFHVURJKSA-N 1 1 324.472 3.958 10 0 DHAEMO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000003619653 181042046 /nfs/dbraw/zinc/04/20/46/181042046.db2.gz MOQYAXZTIUPVLH-LJQANCHMSA-N 1 1 308.425 3.704 10 0 DHAEMO Cc1ccccc1[C@H](C)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000073414787 191313848 /nfs/dbraw/zinc/31/38/48/191313848.db2.gz GEHYPVFSJWTDQV-DLBZAZTESA-N 1 1 317.477 3.572 10 0 DHAEMO C[N@H+](CC(=O)N1C(C)(C)CCCC1(C)C)Cc1ccccc1 ZINC000005762211 181281676 /nfs/dbraw/zinc/28/16/76/181281676.db2.gz IQIDGOOBRWIRLZ-UHFFFAOYSA-N 1 1 302.462 3.688 10 0 DHAEMO C[N@@H+](CC(=O)N1C(C)(C)CCCC1(C)C)Cc1ccccc1 ZINC000005762211 181281679 /nfs/dbraw/zinc/28/16/79/181281679.db2.gz IQIDGOOBRWIRLZ-UHFFFAOYSA-N 1 1 302.462 3.688 10 0 DHAEMO COC[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(F)c(F)c1 ZINC000091413256 193052683 /nfs/dbraw/zinc/05/26/83/193052683.db2.gz VDUAORPJMXKXDF-IAGOWNOFSA-N 1 1 319.351 3.766 10 0 DHAEMO CCC[NH+](CCC)[C@@H](CN)c1ccccc1OC(F)(F)F ZINC000020023251 182179796 /nfs/dbraw/zinc/17/97/96/182179796.db2.gz JCDFOPXKXGJQQB-ZDUSSCGKSA-N 1 1 304.356 3.707 10 0 DHAEMO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1Br)N(C)C ZINC000020145651 182192167 /nfs/dbraw/zinc/19/21/67/182192167.db2.gz GIOTWZRMDHGGQK-SWLSCSKDSA-N 1 1 313.283 3.686 10 0 DHAEMO CC(C)[C@@H](CN[C@H](C)c1cccc(Br)c1)[NH+](C)C ZINC000020145587 182192516 /nfs/dbraw/zinc/19/25/16/182192516.db2.gz HXXPBOJALIHZOZ-IUODEOHRSA-N 1 1 313.283 3.686 10 0 DHAEMO CN(C)CCC[N@@H+](Cc1cccs1)C[C@H]1CCOC(C)(C)C1 ZINC000021151198 182267222 /nfs/dbraw/zinc/26/72/22/182267222.db2.gz FJNNNSTWMRFJTC-INIZCTEOSA-N 1 1 324.534 3.707 10 0 DHAEMO CN(C)CCC[N@H+](Cc1cccs1)C[C@H]1CCOC(C)(C)C1 ZINC000021151198 182267223 /nfs/dbraw/zinc/26/72/23/182267223.db2.gz FJNNNSTWMRFJTC-INIZCTEOSA-N 1 1 324.534 3.707 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)CC1CCCC1 ZINC000023247744 182354460 /nfs/dbraw/zinc/35/44/60/182354460.db2.gz XBSBDOZFXFDZRW-IBGZPJMESA-N 1 1 301.478 3.558 10 0 DHAEMO CCN1CCC[C@H]1C[N@@H+](Cc1ccncc1)CC1CCCC1 ZINC000023247744 182354462 /nfs/dbraw/zinc/35/44/62/182354462.db2.gz XBSBDOZFXFDZRW-IBGZPJMESA-N 1 1 301.478 3.558 10 0 DHAEMO CCN1CCC[C@H]1C[N@H+](Cc1ccncc1)CC1CCCC1 ZINC000023247744 182354463 /nfs/dbraw/zinc/35/44/63/182354463.db2.gz XBSBDOZFXFDZRW-IBGZPJMESA-N 1 1 301.478 3.558 10 0 DHAEMO C[N@@H+](Cc1cc(Br)cs1)Cc1ccccc1N ZINC000042398013 183264055 /nfs/dbraw/zinc/26/40/55/183264055.db2.gz RMRJZGDCJAIGST-UHFFFAOYSA-N 1 1 311.248 3.725 10 0 DHAEMO CC[C@H](N)[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)C ZINC000042952911 183321994 /nfs/dbraw/zinc/32/19/94/183321994.db2.gz ZIXNJFVLRGFAKE-LSDHHAIUSA-N 1 1 313.283 3.815 10 0 DHAEMO CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CC(C)C ZINC000042952911 183321996 /nfs/dbraw/zinc/32/19/96/183321996.db2.gz ZIXNJFVLRGFAKE-LSDHHAIUSA-N 1 1 313.283 3.815 10 0 DHAEMO C[C@H]([N@@H+](C)CC(=O)c1cccc(Br)c1)C(C)(C)C ZINC000042773755 183306978 /nfs/dbraw/zinc/30/69/78/183306978.db2.gz ITPJXCBEDZZACK-NSHDSACASA-N 1 1 312.251 3.998 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC000105851206 194146409 /nfs/dbraw/zinc/14/64/09/194146409.db2.gz BACRYYGKQYLNLD-CYBMUJFWSA-N 1 1 317.820 3.576 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC000105851445 194146642 /nfs/dbraw/zinc/14/66/42/194146642.db2.gz GPIWZBSOZOXLNZ-QGZVFWFLSA-N 1 1 311.429 3.540 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)c1 ZINC000105899432 194163906 /nfs/dbraw/zinc/16/39/06/194163906.db2.gz XXFSGCOJSDCDPD-QGZVFWFLSA-N 1 1 322.412 3.684 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)c1 ZINC000105899432 194163907 /nfs/dbraw/zinc/16/39/07/194163907.db2.gz XXFSGCOJSDCDPD-QGZVFWFLSA-N 1 1 322.412 3.684 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)c1 ZINC000105900623 194165730 /nfs/dbraw/zinc/16/57/30/194165730.db2.gz QUOKHUUNOLBPDQ-GOSISDBHSA-N 1 1 322.412 3.684 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)c1 ZINC000105900623 194165733 /nfs/dbraw/zinc/16/57/33/194165733.db2.gz QUOKHUUNOLBPDQ-GOSISDBHSA-N 1 1 322.412 3.684 10 0 DHAEMO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106171443 194189368 /nfs/dbraw/zinc/18/93/68/194189368.db2.gz DKXFMWYBMOQLNK-OLZOCXBDSA-N 1 1 322.815 3.544 10 0 DHAEMO CSc1cccc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106426741 194211676 /nfs/dbraw/zinc/21/16/76/194211676.db2.gz AIVUFDMMXMYHGM-KRWDZBQOSA-N 1 1 314.454 3.520 10 0 DHAEMO C[C@@H](NCC[N@@H+](C)C1CC1)c1c(Cl)ccc(F)c1Cl ZINC000061992704 184200615 /nfs/dbraw/zinc/20/06/15/184200615.db2.gz YZIOAYSDBGMWRZ-SECBINFHSA-N 1 1 305.224 3.877 10 0 DHAEMO Brc1ccc([C@H]2C[NH2+][C@@H](c3ccccc3)CO2)s1 ZINC000063003341 184265941 /nfs/dbraw/zinc/26/59/41/184265941.db2.gz XHHXKYCCPBJYOZ-VXGBXAGGSA-N 1 1 324.243 3.913 10 0 DHAEMO Cc1ccc(C[N@H+]2CC[C@@H]3O[C@H](COCC4CC4)CC[C@@H]32)s1 ZINC000248096551 257109544 /nfs/dbraw/zinc/10/95/44/257109544.db2.gz MOZWXXOXXQNXQM-SZMVWBNQSA-N 1 1 321.486 3.605 10 0 DHAEMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000238855921 257260230 /nfs/dbraw/zinc/26/02/30/257260230.db2.gz UCWSKARTULHLTN-BFYDXBDKSA-N 1 1 318.461 3.810 10 0 DHAEMO COc1ccc2oc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)cc2c1 ZINC000091979476 332098990 /nfs/dbraw/zinc/09/89/90/332098990.db2.gz SSQHAYYKXHWQLR-FUHWJXTLSA-N 1 1 301.386 3.585 10 0 DHAEMO COc1ccc2oc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)cc2c1 ZINC000091979476 332098991 /nfs/dbraw/zinc/09/89/91/332098991.db2.gz SSQHAYYKXHWQLR-FUHWJXTLSA-N 1 1 301.386 3.585 10 0 DHAEMO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+]([C@H]2C=CCCC2)C1 ZINC000178843099 333020886 /nfs/dbraw/zinc/02/08/86/333020886.db2.gz SERPUABFDQWOCI-XHSDSOJGSA-N 1 1 311.347 3.922 10 0 DHAEMO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+]([C@H]2C=CCCC2)C1 ZINC000178843106 333020898 /nfs/dbraw/zinc/02/08/98/333020898.db2.gz SERPUABFDQWOCI-ARFHVFGLSA-N 1 1 311.347 3.922 10 0 DHAEMO Fc1ccc(Cl)c(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000189028684 333061484 /nfs/dbraw/zinc/06/14/84/333061484.db2.gz PETPVGYLXNEZKC-CYBMUJFWSA-N 1 1 319.811 3.808 10 0 DHAEMO c1ccc(N2CCC[N@H+](Cc3ccc4ccccc4n3)CC2)cc1 ZINC000124015448 333350285 /nfs/dbraw/zinc/35/02/85/333350285.db2.gz JHHMUKSQCMSCCF-UHFFFAOYSA-N 1 1 317.436 3.947 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCSCc1ccccc1 ZINC000192613439 336194816 /nfs/dbraw/zinc/19/48/16/336194816.db2.gz VJOAKDWXSHMLBP-SFHVURJKSA-N 1 1 315.486 3.589 10 0 DHAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCSc2ccccc21 ZINC000167770430 336261590 /nfs/dbraw/zinc/26/15/90/336261590.db2.gz JGEBGLKNPORBNB-UONOGXRCSA-N 1 1 314.458 3.502 10 0 DHAEMO CC[S@](=O)[C@H]1CCC[C@@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000301579858 336316218 /nfs/dbraw/zinc/31/62/18/336316218.db2.gz UKSBTZDKMHJFJG-JGRMJRGVSA-N 1 1 308.472 3.788 10 0 DHAEMO c1ccc2[nH+]c(NCc3ccnc(N4CCCCCC4)c3)[nH]c2c1 ZINC000301853401 336334238 /nfs/dbraw/zinc/33/42/38/336334238.db2.gz CDHONGSLFDGRLL-UHFFFAOYSA-N 1 1 321.428 3.950 10 0 DHAEMO C[C@H](Nc1[nH]c2ccccc2[nH+]1)c1cccc(-n2ccnc2)c1 ZINC000301872544 336335417 /nfs/dbraw/zinc/33/54/17/336335417.db2.gz JERGLLDIZJZAPT-ZDUSSCGKSA-N 1 1 303.369 3.922 10 0 DHAEMO Cc1cc2c(ncnc2NCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000301875570 336335608 /nfs/dbraw/zinc/33/56/08/336335608.db2.gz MKRKAYAHVJXWEE-LBPRGKRZSA-N 1 1 304.463 3.534 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(Cl)c(F)c3)C2)c1 ZINC000123102056 337037825 /nfs/dbraw/zinc/03/78/25/337037825.db2.gz YIOWXDVJDBBIOW-CQSZACIVSA-N 1 1 307.800 3.821 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)c1 ZINC000123102056 337037826 /nfs/dbraw/zinc/03/78/26/337037826.db2.gz YIOWXDVJDBBIOW-CQSZACIVSA-N 1 1 307.800 3.821 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cnc(-c2cccs2)s1 ZINC000123421074 337048026 /nfs/dbraw/zinc/04/80/26/337048026.db2.gz HKNFYNNTGGKCMB-ZDUSSCGKSA-N 1 1 321.515 3.788 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(C)c(Cl)c3)C2)no1 ZINC000193856873 337079707 /nfs/dbraw/zinc/07/97/07/337079707.db2.gz QYZYMUBHMRWSDP-CQSZACIVSA-N 1 1 319.836 3.795 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H](C)CCc3ccccc3)C2)no1 ZINC000171402999 337087133 /nfs/dbraw/zinc/08/71/33/337087133.db2.gz VVZNHNSRYZKJTK-YJBOKZPZSA-N 1 1 313.445 3.654 10 0 DHAEMO CC(C)c1nnc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)n1C ZINC000172943823 337132541 /nfs/dbraw/zinc/13/25/41/337132541.db2.gz VEJVTUQXKFIULH-RDJZCZTQSA-N 1 1 312.461 3.564 10 0 DHAEMO CC(C)c1nnc(C[N@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)n1C ZINC000172943823 337132542 /nfs/dbraw/zinc/13/25/42/337132542.db2.gz VEJVTUQXKFIULH-RDJZCZTQSA-N 1 1 312.461 3.564 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1csc(C2CCCC2)n1 ZINC000175342506 337145482 /nfs/dbraw/zinc/14/54/82/337145482.db2.gz NEGIYNTVSBMZOC-INIZCTEOSA-N 1 1 307.507 3.717 10 0 DHAEMO CCSc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000176355203 337150965 /nfs/dbraw/zinc/15/09/65/337150965.db2.gz HSBUJWKQSUUIBY-HNNXBMFYSA-N 1 1 321.490 3.747 10 0 DHAEMO CCCCC[C@@H](C)CC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000177187041 337154508 /nfs/dbraw/zinc/15/45/08/337154508.db2.gz JPROALUHXMXRIC-WBVHZDCISA-N 1 1 305.466 3.789 10 0 DHAEMO CCCC[C@@H](CC)CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000177210958 337154864 /nfs/dbraw/zinc/15/48/64/337154864.db2.gz UPTMUHUYAFPBRD-IAGOWNOFSA-N 1 1 305.466 3.789 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000178107474 337162288 /nfs/dbraw/zinc/16/22/88/337162288.db2.gz WCOIZMHUHIAJSZ-INIZCTEOSA-N 1 1 317.477 3.825 10 0 DHAEMO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000178610028 337165418 /nfs/dbraw/zinc/16/54/18/337165418.db2.gz JGSHWISZUIIUIQ-IFXJQAMLSA-N 1 1 306.413 3.564 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cccn1CCC(C)C ZINC000180134043 337171635 /nfs/dbraw/zinc/17/16/35/337171635.db2.gz QNTDOOKVENXGSO-IBGZPJMESA-N 1 1 314.477 3.704 10 0 DHAEMO Cc1csc([C@@H]2C[N@H+](CC(C)(C)c3ccccc3)CCO2)n1 ZINC000179974908 337172938 /nfs/dbraw/zinc/17/29/38/337172938.db2.gz JWJSJKLJNVTFFB-INIZCTEOSA-N 1 1 316.470 3.803 10 0 DHAEMO Cc1csc([C@@H]2C[N@@H+](CC(C)(C)c3ccccc3)CCO2)n1 ZINC000179974908 337172939 /nfs/dbraw/zinc/17/29/39/337172939.db2.gz JWJSJKLJNVTFFB-INIZCTEOSA-N 1 1 316.470 3.803 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(Cl)c(C)c3)C2)no1 ZINC000180427662 337174637 /nfs/dbraw/zinc/17/46/37/337174637.db2.gz DSQQPZNSBIIXLR-CQSZACIVSA-N 1 1 319.836 3.795 10 0 DHAEMO C[C@@H]([NH2+]Cc1nc2ccccc2o1)c1cccc(-n2ccnc2)c1 ZINC000180656199 337177195 /nfs/dbraw/zinc/17/71/95/337177195.db2.gz DBGOHYMEOVNYFU-CQSZACIVSA-N 1 1 318.380 3.864 10 0 DHAEMO Cc1csc([C@@H]2C[N@H+](CCCc3cccc(C)c3)CCO2)n1 ZINC000181043155 337179390 /nfs/dbraw/zinc/17/93/90/337179390.db2.gz UERXSAKEYNUSDT-KRWDZBQOSA-N 1 1 316.470 3.766 10 0 DHAEMO Cc1csc([C@@H]2C[N@@H+](CCCc3cccc(C)c3)CCO2)n1 ZINC000181043155 337179391 /nfs/dbraw/zinc/17/93/91/337179391.db2.gz UERXSAKEYNUSDT-KRWDZBQOSA-N 1 1 316.470 3.766 10 0 DHAEMO Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000183988270 337194276 /nfs/dbraw/zinc/19/42/76/337194276.db2.gz LPFMCEWTPVAGFH-GOEBONIOSA-N 1 1 305.466 3.550 10 0 DHAEMO CCC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccsc1 ZINC000187738981 337269638 /nfs/dbraw/zinc/26/96/38/337269638.db2.gz XCFADBHWMRSOBT-JSGCOSHPSA-N 1 1 304.463 3.868 10 0 DHAEMO CC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cccc(F)c1 ZINC000188089208 337270398 /nfs/dbraw/zinc/27/03/98/337270398.db2.gz PNBJEHFIFHPAKI-WFASDCNBSA-N 1 1 302.397 3.555 10 0 DHAEMO CCn1cc([C@H]2C[N@H+](Cc3ccc(C(C)C)cc3)CCO2)cn1 ZINC000191704567 337300769 /nfs/dbraw/zinc/30/07/69/337300769.db2.gz KEQYKHKCEONRBI-LJQANCHMSA-N 1 1 313.445 3.600 10 0 DHAEMO CCn1cc([C@H]2C[N@@H+](Cc3ccc(C(C)C)cc3)CCO2)cn1 ZINC000191704567 337300770 /nfs/dbraw/zinc/30/07/70/337300770.db2.gz KEQYKHKCEONRBI-LJQANCHMSA-N 1 1 313.445 3.600 10 0 DHAEMO COc1ccc(Cl)c(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000192009857 337302079 /nfs/dbraw/zinc/30/20/79/337302079.db2.gz ZBXILYDRLGLUOR-HNNXBMFYSA-N 1 1 319.836 3.691 10 0 DHAEMO COc1ccc(Cl)c(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000192009857 337302080 /nfs/dbraw/zinc/30/20/80/337302080.db2.gz ZBXILYDRLGLUOR-HNNXBMFYSA-N 1 1 319.836 3.691 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCC2=CCCCC2)o1 ZINC000193113904 337308262 /nfs/dbraw/zinc/30/82/62/337308262.db2.gz DRPQQZXZJMJSSD-CABCVRRESA-N 1 1 304.434 3.634 10 0 DHAEMO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)s1 ZINC000131147301 337436517 /nfs/dbraw/zinc/43/65/17/337436517.db2.gz POXOTTGCBRGXTO-RYUDHWBXSA-N 1 1 304.463 3.650 10 0 DHAEMO COc1cc([C@@H](C)N[C@H](C[NH+](C)C)c2ccccc2)ccc1F ZINC000152673034 338209692 /nfs/dbraw/zinc/20/96/92/338209692.db2.gz PLOAAEGUVWAWFK-RDTXWAMCSA-N 1 1 316.420 3.788 10 0 DHAEMO COc1cc([C@H](C)N[C@H](C[NH+](C)C)c2ccccc2)ccc1F ZINC000152672941 338209700 /nfs/dbraw/zinc/20/97/00/338209700.db2.gz PLOAAEGUVWAWFK-KBXCAEBGSA-N 1 1 316.420 3.788 10 0 DHAEMO C[C@H]([NH2+]Cc1ccnc(N)c1)c1c(Cl)ccc(F)c1Cl ZINC000193478283 340578262 /nfs/dbraw/zinc/57/82/62/340578262.db2.gz DBOJMIIKTHKADB-QMMMGPOBSA-N 1 1 314.191 3.961 10 0 DHAEMO Cc1cccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3F)C2)n1 ZINC000137584347 341276634 /nfs/dbraw/zinc/27/66/34/341276634.db2.gz MGNJPVICPVBOSK-INIZCTEOSA-N 1 1 313.420 3.506 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1[C@H]1CCCc2ccc(F)cc21 ZINC000245509423 341298390 /nfs/dbraw/zinc/29/83/90/341298390.db2.gz KEVINZUPJCNVLL-MJGOQNOKSA-N 1 1 313.420 3.873 10 0 DHAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000245921154 341318328 /nfs/dbraw/zinc/31/83/28/341318328.db2.gz MFARAZIDHHFDAK-DBVUQKKJSA-N 1 1 322.452 3.544 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000245949446 341319408 /nfs/dbraw/zinc/31/94/08/341319408.db2.gz WFSGWHSVCCGLHV-RGYTYGDFSA-N 1 1 318.852 3.747 10 0 DHAEMO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246132525 341328360 /nfs/dbraw/zinc/32/83/60/341328360.db2.gz MPCRPTIMABAHPZ-KGLIPLIRSA-N 1 1 317.383 3.855 10 0 DHAEMO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000246232517 341336207 /nfs/dbraw/zinc/33/62/07/341336207.db2.gz MUIUBFRCJDQUAB-HEHGZKQESA-N 1 1 312.404 3.667 10 0 DHAEMO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000246232517 341336208 /nfs/dbraw/zinc/33/62/08/341336208.db2.gz MUIUBFRCJDQUAB-HEHGZKQESA-N 1 1 312.404 3.667 10 0 DHAEMO Clc1ccc(CN2CC[N@H+]3CCCC[C@H]3C2)c2ncccc12 ZINC000246232272 341336254 /nfs/dbraw/zinc/33/62/54/341336254.db2.gz SMOCTIPBMODWTJ-HNNXBMFYSA-N 1 1 315.848 3.558 10 0 DHAEMO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000247000099 341359802 /nfs/dbraw/zinc/35/98/02/341359802.db2.gz KQHINJJQUZUOGJ-DVOMOZLQSA-N 1 1 312.404 3.667 10 0 DHAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000247000099 341359803 /nfs/dbraw/zinc/35/98/03/341359803.db2.gz KQHINJJQUZUOGJ-DVOMOZLQSA-N 1 1 312.404 3.667 10 0 DHAEMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000247974893 341371927 /nfs/dbraw/zinc/37/19/27/341371927.db2.gz KNIFNUPUVOYNSM-HOTGVXAUSA-N 1 1 313.363 3.832 10 0 DHAEMO CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000248470833 341378559 /nfs/dbraw/zinc/37/85/59/341378559.db2.gz VKNVLJGJWOEVDG-DLBZAZTESA-N 1 1 312.461 3.875 10 0 DHAEMO CCCCOC[C@H](O)C[N@H+]1CCCC[C@H]1c1ccc(CC)o1 ZINC000248662466 341383654 /nfs/dbraw/zinc/38/36/54/341383654.db2.gz YHSLVVJZNIASKA-WBVHZDCISA-N 1 1 309.450 3.547 10 0 DHAEMO CC(C)(C)OC(=O)CCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000181651587 518781162 /nfs/dbraw/zinc/78/11/62/518781162.db2.gz DUHPHRNGWUHSHO-ZDUSSCGKSA-N 1 1 310.463 3.792 10 0 DHAEMO CC(C)(C)OC(=O)CCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000181651587 518781172 /nfs/dbraw/zinc/78/11/72/518781172.db2.gz DUHPHRNGWUHSHO-ZDUSSCGKSA-N 1 1 310.463 3.792 10 0 DHAEMO CC(C)c1ccccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000177088111 519845951 /nfs/dbraw/zinc/84/59/51/519845951.db2.gz DSAREPZSJPNJDT-HUUCEWRRSA-N 1 1 301.434 3.510 10 0 DHAEMO COc1c(C)c[nH+]c(CN2CCCC[C@@H]2c2nccs2)c1C ZINC000171235281 521809016 /nfs/dbraw/zinc/80/90/16/521809016.db2.gz FOIGMIXVEXNPKJ-OAHLLOKOSA-N 1 1 317.458 3.891 10 0 DHAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000188132069 522511531 /nfs/dbraw/zinc/51/15/31/522511531.db2.gz NHKYQMPRHNNPOF-GJZGRUSLSA-N 1 1 302.397 3.555 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000105851569 522590978 /nfs/dbraw/zinc/59/09/78/522590978.db2.gz YASYDQONKADRSI-MRXNPFEDSA-N 1 1 303.450 3.579 10 0 DHAEMO CCc1nnc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)n1C ZINC000181942856 522742507 /nfs/dbraw/zinc/74/25/07/522742507.db2.gz UJQJPSVTMWDMDA-KRWDZBQOSA-N 1 1 312.461 3.789 10 0 DHAEMO CCc1nnc(C[NH2+][C@@H](c2ccccc2C)C(C)(C)C)n1C ZINC000180083661 522745568 /nfs/dbraw/zinc/74/55/68/522745568.db2.gz JGQQWQCDHFNRBG-KRWDZBQOSA-N 1 1 300.450 3.563 10 0 DHAEMO CCc1nnc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)n1C ZINC000181942879 522746582 /nfs/dbraw/zinc/74/65/82/522746582.db2.gz UJQJPSVTMWDMDA-QGZVFWFLSA-N 1 1 312.461 3.789 10 0 DHAEMO COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000106223412 524207437 /nfs/dbraw/zinc/20/74/37/524207437.db2.gz WGYSUVZBONGCCB-INIZCTEOSA-N 1 1 319.836 3.691 10 0 DHAEMO COc1ccc(Cl)cc1C[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000106223412 524207449 /nfs/dbraw/zinc/20/74/49/524207449.db2.gz WGYSUVZBONGCCB-INIZCTEOSA-N 1 1 319.836 3.691 10 0 DHAEMO C[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1cccc(Br)c1 ZINC000339139454 525732134 /nfs/dbraw/zinc/73/21/34/525732134.db2.gz FSBJPHOMPJDKEB-SECBINFHSA-N 1 1 317.190 3.894 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2Cl)o1 ZINC000182588774 525916623 /nfs/dbraw/zinc/91/66/23/525916623.db2.gz INPQIRYJQKBYHS-LBPRGKRZSA-N 1 1 306.793 3.839 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccccc2)o1 ZINC000193114109 525932949 /nfs/dbraw/zinc/93/29/49/525932949.db2.gz MDYUGZDUYDNDIP-KKUMJFAQSA-N 1 1 300.402 3.505 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc4ccccc4n3)C2)c1 ZINC000124656446 526266191 /nfs/dbraw/zinc/26/61/91/526266191.db2.gz WAONNJNWGFNYDC-GOSISDBHSA-N 1 1 306.413 3.577 10 0 DHAEMO O[C@H](C[C@@H]1CCC[N@H+]1Cc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000180240391 526294198 /nfs/dbraw/zinc/29/41/98/526294198.db2.gz VUJQZKAQYWXFHA-AZUAARDMSA-N 1 1 321.424 3.651 10 0 DHAEMO c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccc4ccccc4n3)C2)nc1 ZINC000124322697 526482537 /nfs/dbraw/zinc/48/25/37/526482537.db2.gz ZAEZXVWKUQASDP-INIZCTEOSA-N 1 1 318.424 3.564 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc(F)ccc3Cl)C2)no1 ZINC000188944278 526920250 /nfs/dbraw/zinc/92/02/50/526920250.db2.gz SQCFPRKWIRJKHM-LBPRGKRZSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3Cl)C2)no1 ZINC000188944278 526920258 /nfs/dbraw/zinc/92/02/58/526920258.db2.gz SQCFPRKWIRJKHM-LBPRGKRZSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1cc(C[C@H](C)[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)n[nH]1 ZINC000090532852 1032406108 /nfs/dbraw/zinc/40/61/08/1032406108.db2.gz YUMMKPRDRIXVAD-ZBEGNZNMSA-N 1 1 317.408 3.680 10 0 DHAEMO FC(F)(F)c1csc([C@@H]2CCC[N@@H+](Cc3cc[nH]c3)C2)n1 ZINC000093772326 1032556793 /nfs/dbraw/zinc/55/67/93/1032556793.db2.gz BQQVOGMWTZCMSN-LLVKDONJSA-N 1 1 315.364 3.870 10 0 DHAEMO CCOCC[N@H+](CC)Cc1ncc(-c2ccccc2Cl)o1 ZINC000075718750 1030684251 /nfs/dbraw/zinc/68/42/51/1030684251.db2.gz LPCXXWQDJIQLSK-UHFFFAOYSA-N 1 1 308.809 3.853 10 0 DHAEMO CCOCC[N@@H+](CC)Cc1ncc(-c2ccccc2Cl)o1 ZINC000075718750 1030684260 /nfs/dbraw/zinc/68/42/60/1030684260.db2.gz LPCXXWQDJIQLSK-UHFFFAOYSA-N 1 1 308.809 3.853 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](CC(C)C)c1cccs1 ZINC000090224534 185287433 /nfs/dbraw/zinc/28/74/33/185287433.db2.gz RILFKMSMRPQEKZ-UONOGXRCSA-N 1 1 304.463 3.860 10 0 DHAEMO Cc1csc([C@H]2C[N@H+](Cc3cccc(C)c3C)CCO2)n1 ZINC000092789991 185341375 /nfs/dbraw/zinc/34/13/75/185341375.db2.gz VJVKSVSNHWWSRP-MRXNPFEDSA-N 1 1 302.443 3.642 10 0 DHAEMO Cc1csc([C@H]2C[N@@H+](Cc3cccc(C)c3C)CCO2)n1 ZINC000092789991 185341376 /nfs/dbraw/zinc/34/13/76/185341376.db2.gz VJVKSVSNHWWSRP-MRXNPFEDSA-N 1 1 302.443 3.642 10 0 DHAEMO Cc1ccsc1C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000092812170 185343337 /nfs/dbraw/zinc/34/33/37/185343337.db2.gz DGQKHWFMOQALSP-AWEZNQCLSA-N 1 1 316.474 3.712 10 0 DHAEMO Cc1ccsc1C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000092812170 185343338 /nfs/dbraw/zinc/34/33/38/185343338.db2.gz DGQKHWFMOQALSP-AWEZNQCLSA-N 1 1 316.474 3.712 10 0 DHAEMO C[N@@H+](C1CCCC1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000006750571 181383352 /nfs/dbraw/zinc/38/33/52/181383352.db2.gz OYSKTXPGQLLRKD-UHFFFAOYSA-N 1 1 319.424 3.696 10 0 DHAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2ccccc2c1 ZINC000091984120 193136089 /nfs/dbraw/zinc/13/60/89/193136089.db2.gz CPTHXYDGFURXEX-KBXCAEBGSA-N 1 1 309.413 3.540 10 0 DHAEMO CCCC[N@H+](CC)[C@H](CN)c1ccc(F)c(Br)c1 ZINC000019506025 182126783 /nfs/dbraw/zinc/12/67/83/182126783.db2.gz OUMUILYJUSXUMV-CQSZACIVSA-N 1 1 317.246 3.710 10 0 DHAEMO CCCC[N@@H+](CC)[C@H](CN)c1ccc(F)c(Br)c1 ZINC000019506025 182126784 /nfs/dbraw/zinc/12/67/84/182126784.db2.gz OUMUILYJUSXUMV-CQSZACIVSA-N 1 1 317.246 3.710 10 0 DHAEMO CCCC[N@H+](CC)[C@@H](CN)c1ccc(F)c(Br)c1 ZINC000019506023 182126833 /nfs/dbraw/zinc/12/68/33/182126833.db2.gz OUMUILYJUSXUMV-AWEZNQCLSA-N 1 1 317.246 3.710 10 0 DHAEMO CCCC[N@@H+](CC)[C@@H](CN)c1ccc(F)c(Br)c1 ZINC000019506023 182126834 /nfs/dbraw/zinc/12/68/34/182126834.db2.gz OUMUILYJUSXUMV-AWEZNQCLSA-N 1 1 317.246 3.710 10 0 DHAEMO Clc1ccc(CCN2CC[N@H+]3CCCC[C@@H]3C2)cc1Cl ZINC000022940721 182343604 /nfs/dbraw/zinc/34/36/04/182343604.db2.gz NNKDWXNCNGJXIG-CQSZACIVSA-N 1 1 313.272 3.706 10 0 DHAEMO CC[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000037914589 182936754 /nfs/dbraw/zinc/93/67/54/182936754.db2.gz IXEBNSRLTWMRDD-SMDDNHRTSA-N 1 1 310.235 3.895 10 0 DHAEMO CC(C)(C)Nc1[nH+]cnc(NC23CC4CC(CC(C4)C2)C3)c1N ZINC000040680521 183117033 /nfs/dbraw/zinc/11/70/33/183117033.db2.gz CPYPAUSHVZMKHX-UHFFFAOYSA-N 1 1 315.465 3.650 10 0 DHAEMO CC(C)(C)Nc1nc[nH+]c(NC23CC4CC(CC(C4)C2)C3)c1N ZINC000040680521 183117034 /nfs/dbraw/zinc/11/70/34/183117034.db2.gz CPYPAUSHVZMKHX-UHFFFAOYSA-N 1 1 315.465 3.650 10 0 DHAEMO Nc1c(NC2CCCCCC2)[nH+]cnc1N1CCCCCC1 ZINC000040725688 183124805 /nfs/dbraw/zinc/12/48/05/183124805.db2.gz IEVYESGMMFOBMQ-UHFFFAOYSA-N 1 1 303.454 3.574 10 0 DHAEMO CCCC[N@@H+](CC)CC[C@H](O)c1ccc(Br)cc1 ZINC000041145270 183176231 /nfs/dbraw/zinc/17/62/31/183176231.db2.gz VYMDJANIDNUFQK-HNNXBMFYSA-N 1 1 314.267 3.995 10 0 DHAEMO CC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H](C)C(N)=S ZINC000042444521 183271432 /nfs/dbraw/zinc/27/14/32/183271432.db2.gz HXCOABAZALVBEA-VIFPVBQESA-N 1 1 305.274 3.738 10 0 DHAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@@H](CN)c1ccc(Br)o1 ZINC000042606999 183290187 /nfs/dbraw/zinc/29/01/87/183290187.db2.gz LDFNWSABLSXDEX-WOPDTQHZSA-N 1 1 315.255 3.552 10 0 DHAEMO C[C@@H]1CCCC[C@@H]1N(C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042606999 183290191 /nfs/dbraw/zinc/29/01/91/183290191.db2.gz LDFNWSABLSXDEX-WOPDTQHZSA-N 1 1 315.255 3.552 10 0 DHAEMO CCC(CC)[N@H+](CCOC)[C@@H](CN)c1ccc(Cl)s1 ZINC000042614948 183291427 /nfs/dbraw/zinc/29/14/27/183291427.db2.gz WDLZEYKRTGKRKB-LBPRGKRZSA-N 1 1 304.887 3.538 10 0 DHAEMO CCC(CC)[N@@H+](CCOC)[C@@H](CN)c1ccc(Cl)s1 ZINC000042614948 183291429 /nfs/dbraw/zinc/29/14/29/183291429.db2.gz WDLZEYKRTGKRKB-LBPRGKRZSA-N 1 1 304.887 3.538 10 0 DHAEMO CCC(CC)[N@H+](CCOC)[C@H](CN)c1ccc(Cl)s1 ZINC000042614949 183291515 /nfs/dbraw/zinc/29/15/15/183291515.db2.gz WDLZEYKRTGKRKB-GFCCVEGCSA-N 1 1 304.887 3.538 10 0 DHAEMO CCC(CC)[N@@H+](CCOC)[C@H](CN)c1ccc(Cl)s1 ZINC000042614949 183291517 /nfs/dbraw/zinc/29/15/17/183291517.db2.gz WDLZEYKRTGKRKB-GFCCVEGCSA-N 1 1 304.887 3.538 10 0 DHAEMO C[C@@H]([N@@H+](C)CC(=O)c1cccc(Br)c1)C(C)(C)C ZINC000042773759 183306707 /nfs/dbraw/zinc/30/67/07/183306707.db2.gz ITPJXCBEDZZACK-LLVKDONJSA-N 1 1 312.251 3.998 10 0 DHAEMO C[C@H]([N@@H+](C)[C@@H](CN)c1ccc(Br)cc1)C(C)(C)C ZINC000042742288 183304953 /nfs/dbraw/zinc/30/49/53/183304953.db2.gz JJACCYTZXUKKGI-FZMZJTMJSA-N 1 1 313.283 3.815 10 0 DHAEMO C[C@H](N(C)[C@@H](C[NH3+])c1ccc(Br)cc1)C(C)(C)C ZINC000042742288 183304955 /nfs/dbraw/zinc/30/49/55/183304955.db2.gz JJACCYTZXUKKGI-FZMZJTMJSA-N 1 1 313.283 3.815 10 0 DHAEMO C[C@H](N)[C@H](c1ccc(Br)cc1)[N@@H+](C)C1CCCC1 ZINC000042952838 183321681 /nfs/dbraw/zinc/32/16/81/183321681.db2.gz SFPGQYXLNNGVGD-XHDPSFHLSA-N 1 1 311.267 3.712 10 0 DHAEMO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)C1CCCC1 ZINC000042952838 183321685 /nfs/dbraw/zinc/32/16/85/183321685.db2.gz SFPGQYXLNNGVGD-XHDPSFHLSA-N 1 1 311.267 3.712 10 0 DHAEMO CCCN(CCC)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043019944 183328646 /nfs/dbraw/zinc/32/86/46/183328646.db2.gz MKSJAESILHQSSI-DOMZBBRYSA-N 1 1 313.283 3.959 10 0 DHAEMO Cc1cccc(C(C)C)c1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000104974787 194060610 /nfs/dbraw/zinc/06/06/10/194060610.db2.gz QKYRPCAVQWHLKN-INIZCTEOSA-N 1 1 315.461 3.820 10 0 DHAEMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000105899330 194164102 /nfs/dbraw/zinc/16/41/02/194164102.db2.gz NESZUWDVQGDJOV-WFASDCNBSA-N 1 1 324.350 3.695 10 0 DHAEMO Cc1[nH+]cn(-c2ccc(CNC(=O)C3CCCCC3)cc2)c1C ZINC000065201854 184314372 /nfs/dbraw/zinc/31/43/72/184314372.db2.gz QNUSXQLNSMSIDP-UHFFFAOYSA-N 1 1 311.429 3.686 10 0 DHAEMO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000172340343 333061732 /nfs/dbraw/zinc/06/17/32/333061732.db2.gz QYOZSJZDNCKRPE-CQSZACIVSA-N 1 1 319.412 3.555 10 0 DHAEMO Cc1cnc(C[N@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)o1 ZINC000173654341 333076482 /nfs/dbraw/zinc/07/64/82/333076482.db2.gz UGUAQHXWLLFOSU-CYBMUJFWSA-N 1 1 305.447 3.943 10 0 DHAEMO Cc1cnc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)o1 ZINC000173654341 333076484 /nfs/dbraw/zinc/07/64/84/333076484.db2.gz UGUAQHXWLLFOSU-CYBMUJFWSA-N 1 1 305.447 3.943 10 0 DHAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)c2cccnc12 ZINC000113270252 335301239 /nfs/dbraw/zinc/30/12/39/335301239.db2.gz CATJDXVWRJDYKU-UKRRQHHQSA-N 1 1 315.848 3.557 10 0 DHAEMO C(OC1CCCC1)c1noc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000333461790 336204066 /nfs/dbraw/zinc/20/40/66/336204066.db2.gz PTVRDNMTZKSYEM-HNNXBMFYSA-N 1 1 305.422 3.608 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)no1 ZINC000103150209 336237685 /nfs/dbraw/zinc/23/76/85/336237685.db2.gz SIJVHIKQKHXYGR-MRXNPFEDSA-N 1 1 321.424 3.986 10 0 DHAEMO Clc1nc(N2CC[N@H+]3CCCC[C@H]3C2)cc2ccccc21 ZINC000301250114 336296765 /nfs/dbraw/zinc/29/67/65/336296765.db2.gz RNZOFPQATXQKRW-AWEZNQCLSA-N 1 1 301.821 3.563 10 0 DHAEMO Cc1nc(CN(C)c2cc[nH+]c3cc(C(F)(F)F)ccc32)no1 ZINC000302212675 336354275 /nfs/dbraw/zinc/35/42/75/336354275.db2.gz YYQHCQYPLJIMIW-UHFFFAOYSA-N 1 1 322.290 3.581 10 0 DHAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000193916632 337080561 /nfs/dbraw/zinc/08/05/61/337080561.db2.gz YQQHJPMJOCQZKC-KRWDZBQOSA-N 1 1 313.445 3.600 10 0 DHAEMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)Cc1nnc(C)n1CC ZINC000173991597 337140375 /nfs/dbraw/zinc/14/03/75/337140375.db2.gz LIYRRULFGKLJJA-SFHVURJKSA-N 1 1 314.477 3.758 10 0 DHAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc2ccccc2c1 ZINC000175017215 337143997 /nfs/dbraw/zinc/14/39/97/337143997.db2.gz ZUWMCUMVBGEKAI-RBUKOAKNSA-N 1 1 308.425 3.539 10 0 DHAEMO CCSc1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000176355186 337150938 /nfs/dbraw/zinc/15/09/38/337150938.db2.gz HSBUJWKQSUUIBY-OAHLLOKOSA-N 1 1 321.490 3.747 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)sc1Cl ZINC000177037067 337153029 /nfs/dbraw/zinc/15/30/29/337153029.db2.gz QYJNGWUMFARDRM-SECBINFHSA-N 1 1 321.273 3.611 10 0 DHAEMO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000178610012 337165416 /nfs/dbraw/zinc/16/54/16/337165416.db2.gz JGSHWISZUIIUIQ-LIRRHRJNSA-N 1 1 306.413 3.564 10 0 DHAEMO CCn1cc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)cn1 ZINC000178610952 337165440 /nfs/dbraw/zinc/16/54/40/337165440.db2.gz YFLSHHDMLCURCI-BEFAXECRSA-N 1 1 306.413 3.738 10 0 DHAEMO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)n1C ZINC000179031110 337166876 /nfs/dbraw/zinc/16/68/76/337166876.db2.gz OKUOHHGBTHRQBZ-CQSZACIVSA-N 1 1 312.461 3.668 10 0 DHAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cnn(C(C)C)c2)C12CCCC2 ZINC000179863482 337172268 /nfs/dbraw/zinc/17/22/68/337172268.db2.gz LOBWWFYASRHYEH-IAGOWNOFSA-N 1 1 305.466 3.634 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@@H+](CCC(=O)c3ccccc3)C2)n1 ZINC000182181303 337187071 /nfs/dbraw/zinc/18/70/71/337187071.db2.gz FLSMLJYRRGSZME-MRXNPFEDSA-N 1 1 314.454 3.904 10 0 DHAEMO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cccc(F)c1 ZINC000188089230 337270439 /nfs/dbraw/zinc/27/04/39/337270439.db2.gz PNBJEHFIFHPAKI-SWLSCSKDSA-N 1 1 302.397 3.555 10 0 DHAEMO CCc1ccc(C[N@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)cc1 ZINC000188112351 337270969 /nfs/dbraw/zinc/27/09/69/337270969.db2.gz PHMUECROOUVPTA-MSOLQXFVSA-N 1 1 301.455 3.518 10 0 DHAEMO Clc1ccccc1-c1c[nH]c2[nH+]ccc(N3CCOCC3)c12 ZINC000584620183 337372082 /nfs/dbraw/zinc/37/20/82/337372082.db2.gz QTKXJBCAIFNSRK-UHFFFAOYSA-N 1 1 313.788 3.720 10 0 DHAEMO COc1cc2c(cc1OC)[C@H]1C[C@@H](c3ccccc3)C[N@H+]1CC2 ZINC000584649271 337380522 /nfs/dbraw/zinc/38/05/22/337380522.db2.gz GGMQYTBZZVMOEE-SJLPKXTDSA-N 1 1 309.409 3.791 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(Cc2csc(C(C)C)n2)C1 ZINC000106213297 337387073 /nfs/dbraw/zinc/38/70/73/337387073.db2.gz RWPNKKKZJLOSDV-HNNXBMFYSA-N 1 1 318.490 3.863 10 0 DHAEMO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cscc1Br ZINC000336695184 337398305 /nfs/dbraw/zinc/39/83/05/337398305.db2.gz ILIBUSVNKYIICH-LBPRGKRZSA-N 1 1 319.312 3.577 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000194243810 337462018 /nfs/dbraw/zinc/46/20/18/337462018.db2.gz JXMQIXRHLCJJLB-CVEARBPZSA-N 1 1 317.477 3.825 10 0 DHAEMO CCCCc1nc(C[NH+]2CCC(c3ccnn3C)CC2)cs1 ZINC000195503987 337467515 /nfs/dbraw/zinc/46/75/15/337467515.db2.gz TUIZKBBWSDBHAG-UHFFFAOYSA-N 1 1 318.490 3.599 10 0 DHAEMO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1nnc2n1CCCC2 ZINC000247220163 337558458 /nfs/dbraw/zinc/55/84/58/337558458.db2.gz WJGQUWROQACUHF-CKEIUWERSA-N 1 1 310.445 3.904 10 0 DHAEMO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000077367484 337579122 /nfs/dbraw/zinc/57/91/22/337579122.db2.gz XDNCINXQEQXURK-HZPDHXFCSA-N 1 1 324.424 3.548 10 0 DHAEMO Fc1cc(C[NH2+][C@H]2COc3ccccc32)ccc1Br ZINC000127450907 340851134 /nfs/dbraw/zinc/85/11/34/340851134.db2.gz GSSASXSTQLZRAB-AWEZNQCLSA-N 1 1 322.177 3.812 10 0 DHAEMO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000134867485 341225596 /nfs/dbraw/zinc/22/55/96/341225596.db2.gz CKOXRJUMXOYZMZ-INIZCTEOSA-N 1 1 311.441 3.602 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccccc1Cl ZINC000245414150 341292252 /nfs/dbraw/zinc/29/22/52/341292252.db2.gz CVBQKYBTUSTTHQ-KGLIPLIRSA-N 1 1 323.868 3.527 10 0 DHAEMO COc1ccc2oc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)cc2c1 ZINC000245544868 341300878 /nfs/dbraw/zinc/30/08/78/341300878.db2.gz SSQHAYYKXHWQLR-SJLPKXTDSA-N 1 1 301.386 3.585 10 0 DHAEMO COc1ccc2oc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)cc2c1 ZINC000245544868 341300879 /nfs/dbraw/zinc/30/08/79/341300879.db2.gz SSQHAYYKXHWQLR-SJLPKXTDSA-N 1 1 301.386 3.585 10 0 DHAEMO CC[N@H+]1CC[C@H](Nc2cccc(-n3nc(C)cc3C)c2)[C@@H](C)C1 ZINC000245555385 341301683 /nfs/dbraw/zinc/30/16/83/341301683.db2.gz CDYKKBVNTBIFDJ-LIRRHRJNSA-N 1 1 312.461 3.631 10 0 DHAEMO CC(C)c1nc(C2([NH2+]CCc3ccccc3F)CCCC2)no1 ZINC000138317924 341305058 /nfs/dbraw/zinc/30/50/58/341305058.db2.gz KZTNPOWIXVPROC-UHFFFAOYSA-N 1 1 317.408 3.934 10 0 DHAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)ccc1Cl ZINC000246056477 341322935 /nfs/dbraw/zinc/32/29/35/341322935.db2.gz QIDOVKBKBVBVSX-KBPBESRZSA-N 1 1 321.852 3.739 10 0 DHAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc3ccccc32)C1 ZINC000246141478 341329130 /nfs/dbraw/zinc/32/91/30/341329130.db2.gz BAOPNLVZODRHPI-KBXCAEBGSA-N 1 1 311.429 3.690 10 0 DHAEMO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@@H](O)COC(C)(C)C)c1 ZINC000246592106 341354118 /nfs/dbraw/zinc/35/41/18/341354118.db2.gz ROAUCUPZOZMJNJ-SJLPKXTDSA-N 1 1 305.462 3.616 10 0 DHAEMO CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H](c2ccccc2)C(C)C)C1 ZINC000247109828 341361106 /nfs/dbraw/zinc/36/11/06/341361106.db2.gz VNQXZNBHCYAPJV-ROUUACIJSA-N 1 1 317.477 3.509 10 0 DHAEMO CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)[C@H](C)C1 ZINC000247269420 341362977 /nfs/dbraw/zinc/36/29/77/341362977.db2.gz ZWAKPUPJDPABBH-PVAVHDDUSA-N 1 1 302.462 3.609 10 0 DHAEMO CCN1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)[C@H](C)C1 ZINC000247269420 341362979 /nfs/dbraw/zinc/36/29/79/341362979.db2.gz ZWAKPUPJDPABBH-PVAVHDDUSA-N 1 1 302.462 3.609 10 0 DHAEMO CC(C)CCc1nc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cs1 ZINC000247966841 341371575 /nfs/dbraw/zinc/37/15/75/341371575.db2.gz GXRJIEKYILZQSO-YJBOKZPZSA-N 1 1 322.518 3.859 10 0 DHAEMO CC(C)CCc1nc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cs1 ZINC000247966841 341371576 /nfs/dbraw/zinc/37/15/76/341371576.db2.gz GXRJIEKYILZQSO-YJBOKZPZSA-N 1 1 322.518 3.859 10 0 DHAEMO C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccncc1 ZINC000248411299 341377053 /nfs/dbraw/zinc/37/70/53/341377053.db2.gz IAGIPILRKZJYBB-VRXWPRPYSA-N 1 1 321.468 3.643 10 0 DHAEMO C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccncc1 ZINC000248411299 341377054 /nfs/dbraw/zinc/37/70/54/341377054.db2.gz IAGIPILRKZJYBB-VRXWPRPYSA-N 1 1 321.468 3.643 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@H+](C[C@H](C)Cc3ccccc3)C2)no1 ZINC000248559349 341379872 /nfs/dbraw/zinc/37/98/72/341379872.db2.gz JCAAFYDTRPUSID-QAPCUYQASA-N 1 1 313.445 3.511 10 0 DHAEMO CCCCOC[C@H](O)C[N@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000248663286 341383590 /nfs/dbraw/zinc/38/35/90/341383590.db2.gz ZKXMGAUAUZWQKO-UAGQMJEPSA-N 1 1 309.450 3.539 10 0 DHAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC1CCC(C(F)(F)F)CC1 ZINC000248702859 341384737 /nfs/dbraw/zinc/38/47/37/341384737.db2.gz GQJJUIRHZAANBY-PPWQZUPISA-N 1 1 304.400 3.524 10 0 DHAEMO C[C@@H](CC[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000248826394 341387799 /nfs/dbraw/zinc/38/77/99/341387799.db2.gz GJHUOVQFGLDINY-HKUYNNGSSA-N 1 1 324.472 3.571 10 0 DHAEMO C[C@]1(c2ccccc2)CC[C@@H]([N@H+]2CCC[C@@H](Cn3cncn3)C2)C1 ZINC000249175102 341394818 /nfs/dbraw/zinc/39/48/18/341394818.db2.gz DSVGEFWWVXVYQF-RLLQIKCJSA-N 1 1 324.472 3.501 10 0 DHAEMO CCc1nc(C)c([C@@H](C)N[C@H](C[NH+](C)C)c2ccccc2)s1 ZINC000163800976 522225247 /nfs/dbraw/zinc/22/52/47/522225247.db2.gz GDWZCSZWUMTCLM-CZUORRHYSA-N 1 1 317.502 3.967 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(Cc2csc(C3CC3)n2)C1 ZINC000163071866 522599670 /nfs/dbraw/zinc/59/96/70/522599670.db2.gz LOGMLBTWFOPGPJ-HNNXBMFYSA-N 1 1 316.474 3.617 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2csc(C)c2C)C1 ZINC000179912591 522600572 /nfs/dbraw/zinc/60/05/72/522600572.db2.gz VSAJIFZUSFFKSP-AWEZNQCLSA-N 1 1 317.458 3.601 10 0 DHAEMO CCc1nnc(C[NH2+][C@H](c2cccc(C)c2)C(C)(C)C)n1C ZINC000180793881 522747884 /nfs/dbraw/zinc/74/78/84/522747884.db2.gz MMUBZUVANMAGCO-QGZVFWFLSA-N 1 1 300.450 3.563 10 0 DHAEMO CCc1nnc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)n1C ZINC000180015051 522748716 /nfs/dbraw/zinc/74/87/16/522748716.db2.gz VIGMIBWPHDYQPV-FABXCBLPSA-N 1 1 318.852 3.518 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(C)nc4ccccc34)C2)c1 ZINC000124656162 526266026 /nfs/dbraw/zinc/26/60/26/526266026.db2.gz BBIROUYEZNNOMA-GOSISDBHSA-N 1 1 320.440 3.885 10 0 DHAEMO Cc1csc([C@H]2C[N@H+](CCCc3cccc(F)c3)CCO2)n1 ZINC000182723819 526444069 /nfs/dbraw/zinc/44/40/69/526444069.db2.gz WGISRTDBMWXOLE-MRXNPFEDSA-N 1 1 320.433 3.597 10 0 DHAEMO Cc1csc([C@H]2C[N@@H+](CCCc3cccc(F)c3)CCO2)n1 ZINC000182723819 526444074 /nfs/dbraw/zinc/44/40/74/526444074.db2.gz WGISRTDBMWXOLE-MRXNPFEDSA-N 1 1 320.433 3.597 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000188228360 527187588 /nfs/dbraw/zinc/18/75/88/527187588.db2.gz DCYUKTPQTNDERR-RISCZKNCSA-N 1 1 312.442 3.987 10 0 DHAEMO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cnc(C(C)(C)C)s2)cn1 ZINC000131930614 527299960 /nfs/dbraw/zinc/29/99/60/527299960.db2.gz ABGSKODBKSTAQU-AWEZNQCLSA-N 1 1 304.463 3.511 10 0 DHAEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2cnc(C(C)(C)C)s2)cn1 ZINC000131930614 527299963 /nfs/dbraw/zinc/29/99/63/527299963.db2.gz ABGSKODBKSTAQU-AWEZNQCLSA-N 1 1 304.463 3.511 10 0 DHAEMO Cn1cc([C@H]2CC[N@@H+](Cc3ccc(Oc4ccccc4)o3)C2)cn1 ZINC000180436169 527319287 /nfs/dbraw/zinc/31/92/87/527319287.db2.gz CHOSDGKLKPVOEW-HNNXBMFYSA-N 1 1 323.396 3.795 10 0 DHAEMO Clc1sc([C@@H]2[NH2+]CCc3ccoc32)cc1Br ZINC000701386626 568414052 /nfs/dbraw/zinc/41/40/52/568414052.db2.gz MWZKOXBRNZLMRM-VIFPVBQESA-N 1 1 318.623 3.992 10 0 DHAEMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000068593029 563495667 /nfs/dbraw/zinc/49/56/67/563495667.db2.gz WZVGIPUTVFCAAB-ZOBUZTSGSA-N 1 1 318.461 3.810 10 0 DHAEMO CC(=O)Nc1ccc(C[N@@H+]2CC=C(c3cccs3)CC2)cc1 ZINC000093533757 1032543484 /nfs/dbraw/zinc/54/34/84/1032543484.db2.gz WKUBJSWJDGWHFQ-UHFFFAOYSA-N 1 1 312.438 3.996 10 0 DHAEMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3nc(C(C)C)no3)C2)cc1 ZINC000076390244 1030789752 /nfs/dbraw/zinc/78/97/52/1030789752.db2.gz MPZZRAWXAFSUBX-UKRRQHHQSA-N 1 1 315.417 3.580 10 0 DHAEMO CCCCc1nc(Cl)c(C[NH2+]Cc2ccc(F)c(F)c2)[nH]1 ZINC000088399123 185248466 /nfs/dbraw/zinc/24/84/66/185248466.db2.gz ARBWRQRGKQLWAN-UHFFFAOYSA-N 1 1 313.779 3.974 10 0 DHAEMO CC[C@@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccc(Cl)cc1 ZINC000090224904 185287419 /nfs/dbraw/zinc/28/74/19/185287419.db2.gz SAUILYNAKMISNS-HUUCEWRRSA-N 1 1 304.825 3.816 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3F)C2)no1 ZINC000092814149 185343576 /nfs/dbraw/zinc/34/35/76/185343576.db2.gz XRDRDYSKLBONJL-GFCCVEGCSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3F)C2)no1 ZINC000092814149 185343577 /nfs/dbraw/zinc/34/35/77/185343577.db2.gz XRDRDYSKLBONJL-GFCCVEGCSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1cc(C)c(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1C ZINC000092831196 185344569 /nfs/dbraw/zinc/34/45/69/185344569.db2.gz ZXZOBQAUXRVLOA-INIZCTEOSA-N 1 1 302.443 3.642 10 0 DHAEMO Cc1cc(C)c(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1C ZINC000092831196 185344570 /nfs/dbraw/zinc/34/45/70/185344570.db2.gz ZXZOBQAUXRVLOA-INIZCTEOSA-N 1 1 302.443 3.642 10 0 DHAEMO Cc1csc([C@@H]2C[N@H+](Cc3cccc(C)c3C)CCO2)n1 ZINC000092789990 185341628 /nfs/dbraw/zinc/34/16/28/185341628.db2.gz VJVKSVSNHWWSRP-INIZCTEOSA-N 1 1 302.443 3.642 10 0 DHAEMO Cc1csc([C@@H]2C[N@@H+](Cc3cccc(C)c3C)CCO2)n1 ZINC000092789990 185341629 /nfs/dbraw/zinc/34/16/29/185341629.db2.gz VJVKSVSNHWWSRP-INIZCTEOSA-N 1 1 302.443 3.642 10 0 DHAEMO C[C@@H](c1cccs1)[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000092901935 185348365 /nfs/dbraw/zinc/34/83/65/185348365.db2.gz PDMXFMMSOQPSNY-QWHCGFSZSA-N 1 1 310.463 3.750 10 0 DHAEMO [NH3+][C@H]1c2cc(Cl)ccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000139551817 186023199 /nfs/dbraw/zinc/02/31/99/186023199.db2.gz UZZJBCUTTTZBNE-AWEZNQCLSA-N 1 1 307.180 3.540 10 0 DHAEMO [NH3+][C@H]1c2cc(Cl)ccc2N(Cc2cccc(Cl)c2)C1=O ZINC000139551073 186023358 /nfs/dbraw/zinc/02/33/58/186023358.db2.gz CFPQYSLWGPXMQL-AWEZNQCLSA-N 1 1 307.180 3.540 10 0 DHAEMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CN(C)C(=O)O3)CC2)cc1 ZINC000072164852 191065905 /nfs/dbraw/zinc/06/59/05/191065905.db2.gz AUYCQGRMOLGPHH-LJQANCHMSA-N 1 1 316.445 3.617 10 0 DHAEMO CCC[C@H]1[C@@H](CC(=O)NC(C)C)CC[N@H+]1Cc1ccccc1 ZINC000005470018 181247627 /nfs/dbraw/zinc/24/76/27/181247627.db2.gz FDZLZLAFLPFOSA-MSOLQXFVSA-N 1 1 302.462 3.592 10 0 DHAEMO CCN1CC[N@@H+](C(C)C)[C@@H]2CCn3c4ccccc4c(C)c3[C@H]21 ZINC000019367444 182120289 /nfs/dbraw/zinc/12/02/89/182120289.db2.gz WXNVFYIBELASJW-QUCCMNQESA-N 1 1 311.473 3.809 10 0 in-man DHAEMO CC(C)[C@@H](CN[C@@H](C)c1cccc(Br)c1)[NH+](C)C ZINC000020145585 182192694 /nfs/dbraw/zinc/19/26/94/182192694.db2.gz HXXPBOJALIHZOZ-SWLSCSKDSA-N 1 1 313.283 3.686 10 0 DHAEMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](CN)c2ccc(C(F)(F)F)cc2)C1 ZINC000020081908 182185276 /nfs/dbraw/zinc/18/52/76/182185276.db2.gz QGXJNMNXCIJUOK-ZOWXZIJZSA-N 1 1 300.368 3.683 10 0 DHAEMO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000020081908 182185278 /nfs/dbraw/zinc/18/52/78/182185278.db2.gz QGXJNMNXCIJUOK-ZOWXZIJZSA-N 1 1 300.368 3.683 10 0 DHAEMO C[NH+](C)CCNCc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000020477634 182221685 /nfs/dbraw/zinc/22/16/85/182221685.db2.gz JGVAJUJDARJOJI-UHFFFAOYSA-N 1 1 318.848 3.570 10 0 DHAEMO CC[N@@H+](CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1 ZINC000022454093 182321946 /nfs/dbraw/zinc/32/19/46/182321946.db2.gz NMEAEGORKFOIDR-UHFFFAOYSA-N 1 1 315.288 3.954 10 0 DHAEMO CC[N@H+](CCc1ccc(Cl)c(Cl)c1)CCN1CCCC1 ZINC000022454093 182321947 /nfs/dbraw/zinc/32/19/47/182321947.db2.gz NMEAEGORKFOIDR-UHFFFAOYSA-N 1 1 315.288 3.954 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CNCc1cc(Cl)cc(Cl)c1OC ZINC000022935887 182341922 /nfs/dbraw/zinc/34/19/22/182341922.db2.gz JIFSVNIQDNIJKC-ZDUSSCGKSA-N 1 1 317.260 3.576 10 0 DHAEMO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000022935887 182341924 /nfs/dbraw/zinc/34/19/24/182341924.db2.gz JIFSVNIQDNIJKC-ZDUSSCGKSA-N 1 1 317.260 3.576 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1cccnc1 ZINC000022931688 182342893 /nfs/dbraw/zinc/34/28/93/182342893.db2.gz AOSUEMOFMUFXPO-KRWDZBQOSA-N 1 1 315.486 3.630 10 0 DHAEMO CCCC[N@@H+](C)CC[C@H](O)c1ccc(Br)cc1 ZINC000041145262 183176448 /nfs/dbraw/zinc/17/64/48/183176448.db2.gz ILRDMZMBKRUZFC-AWEZNQCLSA-N 1 1 300.240 3.605 10 0 DHAEMO CC[N@H+](Cc1c(Cl)cccc1Cl)C[C@H](C)C(N)=S ZINC000042444121 183271331 /nfs/dbraw/zinc/27/13/31/183271331.db2.gz DPYBPTLJELGLCN-VIFPVBQESA-N 1 1 305.274 3.738 10 0 DHAEMO NC(=S)CC[N@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000042546569 183283045 /nfs/dbraw/zinc/28/30/45/183283045.db2.gz CYJDLYOSZXJEDC-UHFFFAOYSA-N 1 1 303.258 3.634 10 0 DHAEMO NC(=S)CC[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC000042546569 183283048 /nfs/dbraw/zinc/28/30/48/183283048.db2.gz CYJDLYOSZXJEDC-UHFFFAOYSA-N 1 1 303.258 3.634 10 0 DHAEMO CC(C)C[C@H](C)[N@H+](C)[C@@H](CN)c1cc(Br)cs1 ZINC000042577554 183286104 /nfs/dbraw/zinc/28/61/04/183286104.db2.gz UHBUMIFRXSBNFS-JQWIXIFHSA-N 1 1 319.312 3.877 10 0 DHAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H](CN)c1cc(Br)cs1 ZINC000042577554 183286108 /nfs/dbraw/zinc/28/61/08/183286108.db2.gz UHBUMIFRXSBNFS-JQWIXIFHSA-N 1 1 319.312 3.877 10 0 DHAEMO CC(C)C[N@@H+](C(C)C)[C@@H](CN)c1cc(Br)cs1 ZINC000042579834 183287194 /nfs/dbraw/zinc/28/71/94/183287194.db2.gz XFKOYGBZOVTQGR-LBPRGKRZSA-N 1 1 319.312 3.877 10 0 DHAEMO CC(C)CN(C(C)C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042579834 183287195 /nfs/dbraw/zinc/28/71/95/183287195.db2.gz XFKOYGBZOVTQGR-LBPRGKRZSA-N 1 1 319.312 3.877 10 0 DHAEMO CC[C@@H](N)[C@H](c1ccc(Br)cc1)[N@H+](CC)C1CC1 ZINC000042952780 183321330 /nfs/dbraw/zinc/32/13/30/183321330.db2.gz CENHFVVZCLPKTI-CABCVRRESA-N 1 1 311.267 3.712 10 0 DHAEMO CC[C@@H](N)[C@H](c1ccc(Br)cc1)[N@@H+](CC)C1CC1 ZINC000042952780 183321332 /nfs/dbraw/zinc/32/13/32/183321332.db2.gz CENHFVVZCLPKTI-CABCVRRESA-N 1 1 311.267 3.712 10 0 DHAEMO C[C@@H](N)[C@H](c1ccc(Br)cc1)[N@@H+](C)C1CCCC1 ZINC000042952841 183321413 /nfs/dbraw/zinc/32/14/13/183321413.db2.gz SFPGQYXLNNGVGD-IAQYHMDHSA-N 1 1 311.267 3.712 10 0 DHAEMO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)C1CCCC1 ZINC000042952841 183321416 /nfs/dbraw/zinc/32/14/16/183321416.db2.gz SFPGQYXLNNGVGD-IAQYHMDHSA-N 1 1 311.267 3.712 10 0 DHAEMO CCC[N@H+]([C@H](c1ccc(Br)cc1)[C@@H](C)N)C1CC1 ZINC000042952884 183322003 /nfs/dbraw/zinc/32/20/03/183322003.db2.gz MHRLNCRPMRFTQN-ABAIWWIYSA-N 1 1 311.267 3.712 10 0 DHAEMO CCC[N@@H+]([C@H](c1ccc(Br)cc1)[C@@H](C)N)C1CC1 ZINC000042952884 183322005 /nfs/dbraw/zinc/32/20/05/183322005.db2.gz MHRLNCRPMRFTQN-ABAIWWIYSA-N 1 1 311.267 3.712 10 0 DHAEMO CCCC[N@H+](C)[C@H](c1cccc(Br)c1)[C@H](N)CC ZINC000043020134 183328519 /nfs/dbraw/zinc/32/85/19/183328519.db2.gz RZKNSIFJTISEQD-HUUCEWRRSA-N 1 1 313.283 3.959 10 0 DHAEMO CCCC[N@@H+](C)[C@H](c1cccc(Br)c1)[C@H](N)CC ZINC000043020134 183328520 /nfs/dbraw/zinc/32/85/20/183328520.db2.gz RZKNSIFJTISEQD-HUUCEWRRSA-N 1 1 313.283 3.959 10 0 DHAEMO CCCCC[N@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020407 183328631 /nfs/dbraw/zinc/32/86/31/183328631.db2.gz AQVFMVRUUGPJDD-IUODEOHRSA-N 1 1 313.283 3.959 10 0 DHAEMO CCCCC[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020407 183328633 /nfs/dbraw/zinc/32/86/33/183328633.db2.gz AQVFMVRUUGPJDD-IUODEOHRSA-N 1 1 313.283 3.959 10 0 DHAEMO CCCC[N@@H+](CC)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020136 183328743 /nfs/dbraw/zinc/32/87/43/183328743.db2.gz MRRGCITYYHVKBI-IUODEOHRSA-N 1 1 313.283 3.959 10 0 DHAEMO CCCCN(CC)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020136 183328744 /nfs/dbraw/zinc/32/87/44/183328744.db2.gz MRRGCITYYHVKBI-IUODEOHRSA-N 1 1 313.283 3.959 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000105851368 194146574 /nfs/dbraw/zinc/14/65/74/194146574.db2.gz AHMACZASVKYEBI-KRWDZBQOSA-N 1 1 311.429 3.540 10 0 DHAEMO CC(C)OC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccsc1)CCO2 ZINC000253377505 257106100 /nfs/dbraw/zinc/10/61/00/257106100.db2.gz XHOGDJWZYCYWIX-DLBZAZTESA-N 1 1 309.475 3.544 10 0 DHAEMO CC(C)OC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccsc1)CCO2 ZINC000253377505 257106101 /nfs/dbraw/zinc/10/61/01/257106101.db2.gz XHOGDJWZYCYWIX-DLBZAZTESA-N 1 1 309.475 3.544 10 0 DHAEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180977974 332171027 /nfs/dbraw/zinc/17/10/27/332171027.db2.gz YSFMATQWKWDWHH-HZMVEIRTSA-N 1 1 306.494 3.534 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000178453030 333139043 /nfs/dbraw/zinc/13/90/43/333139043.db2.gz LAUFKZOUTSKCLB-ZDUSSCGKSA-N 1 1 300.450 3.755 10 0 DHAEMO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2ccccc2Br)C1 ZINC000040502202 333353541 /nfs/dbraw/zinc/35/35/41/333353541.db2.gz NAEZHNYFWGEDGE-QWHCGFSZSA-N 1 1 311.267 3.584 10 0 DHAEMO C[C@H]([NH2+]CCn1cccn1)c1c(Cl)ccc(F)c1Cl ZINC000049074850 334307449 /nfs/dbraw/zinc/30/74/49/334307449.db2.gz GEXNGGHFOSGHBK-VIFPVBQESA-N 1 1 302.180 3.680 10 0 DHAEMO C(c1noc([C@@H]2CCC[N@H+]2C2CCOCC2)n1)C1CCCCC1 ZINC000333463236 336204041 /nfs/dbraw/zinc/20/40/41/336204041.db2.gz QANISJFMJGZUNN-INIZCTEOSA-N 1 1 319.449 3.508 10 0 DHAEMO CC(C)c1cccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000104981612 336273298 /nfs/dbraw/zinc/27/32/98/336273298.db2.gz QDVVZOZUWJAXIO-QGZVFWFLSA-N 1 1 301.434 3.512 10 0 DHAEMO O[C@H]1CCC[C@@H](Nc2cc[nH+]c3c(Br)cccc23)C1 ZINC000301148671 336292129 /nfs/dbraw/zinc/29/21/29/336292129.db2.gz CALGAMQHRTXHGS-MNOVXSKESA-N 1 1 321.218 3.713 10 0 DHAEMO CC[S@](=O)[C@H]1CCC[C@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000301579859 336316230 /nfs/dbraw/zinc/31/62/30/336316230.db2.gz UKSBTZDKMHJFJG-PVUDRZGPSA-N 1 1 308.472 3.788 10 0 DHAEMO Cc1cccc2c(N3CCC([N@H+]4CCC[C@H]4C)CC3)ccnc12 ZINC000301803046 336331185 /nfs/dbraw/zinc/33/11/85/336331185.db2.gz WTTFKPWBHJZWTK-MRXNPFEDSA-N 1 1 309.457 3.996 10 0 DHAEMO Cc1cccc2c(N3CCC([N@@H+]4CCC[C@H]4C)CC3)ccnc12 ZINC000301803046 336331186 /nfs/dbraw/zinc/33/11/86/336331186.db2.gz WTTFKPWBHJZWTK-MRXNPFEDSA-N 1 1 309.457 3.996 10 0 DHAEMO c1ccc2[nH+]c(NCCNc3ccc4ccccc4n3)[nH]c2c1 ZINC000301897325 336336849 /nfs/dbraw/zinc/33/68/49/336336849.db2.gz VOALODOTKFTFSW-UHFFFAOYSA-N 1 1 303.369 3.635 10 0 DHAEMO CC(C)C[N@H+]1CC[C@@H](CNc2ccnc3c(F)cc(F)cc23)C1 ZINC000302394326 336358122 /nfs/dbraw/zinc/35/81/22/336358122.db2.gz DRUFASNXBALSLB-ZDUSSCGKSA-N 1 1 319.399 3.903 10 0 DHAEMO COCc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000122758717 337023347 /nfs/dbraw/zinc/02/33/47/337023347.db2.gz CNZGFIPRGKWMTP-GOSISDBHSA-N 1 1 313.445 3.520 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cnc(C2CCCC2)s1 ZINC000123384618 337045482 /nfs/dbraw/zinc/04/54/82/337045482.db2.gz SVPMEPSSKMADPI-HNNXBMFYSA-N 1 1 307.507 3.717 10 0 DHAEMO CCOCCN1CC[N@@H+](CC[C@@H](C)c2ccccc2)C[C@H]1CC ZINC000193900793 337079947 /nfs/dbraw/zinc/07/99/47/337079947.db2.gz DRXDNJKLVFDZRD-UYAOXDASSA-N 1 1 318.505 3.613 10 0 DHAEMO CCOCC[N@@H+]1CCN(CC[C@@H](C)c2ccccc2)C[C@H]1CC ZINC000193900793 337079948 /nfs/dbraw/zinc/07/99/48/337079948.db2.gz DRXDNJKLVFDZRD-UYAOXDASSA-N 1 1 318.505 3.613 10 0 DHAEMO CCOCC[N@H+]1CCN(CC[C@@H](C)c2ccccc2)C[C@H]1CC ZINC000193900793 337079949 /nfs/dbraw/zinc/07/99/49/337079949.db2.gz DRXDNJKLVFDZRD-UYAOXDASSA-N 1 1 318.505 3.613 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000171521348 337087822 /nfs/dbraw/zinc/08/78/22/337087822.db2.gz CAYQSLAZDUWRQV-WMLDXEAASA-N 1 1 301.409 3.983 10 0 DHAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(Cl)cc2cccnc21 ZINC000172081441 337089721 /nfs/dbraw/zinc/08/97/21/337089721.db2.gz QHOOSLLVLYSFGJ-CXAGYDPISA-N 1 1 315.848 3.557 10 0 DHAEMO COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000172593760 337130169 /nfs/dbraw/zinc/13/01/69/337130169.db2.gz SMDGKEVODLTUJW-KGLIPLIRSA-N 1 1 316.401 3.583 10 0 DHAEMO CSc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000173452545 337135323 /nfs/dbraw/zinc/13/53/23/337135323.db2.gz ZPBNVIBNKLYWLU-OLZOCXBDSA-N 1 1 316.474 3.748 10 0 DHAEMO CCCCCC[C@H](C)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000175523699 337147855 /nfs/dbraw/zinc/14/78/55/337147855.db2.gz SJRRHDDUXWXGRM-DOTOQJQBSA-N 1 1 320.481 3.724 10 0 DHAEMO CCCC[C@H](CCC)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000176420658 337151189 /nfs/dbraw/zinc/15/11/89/337151189.db2.gz RRSGYEPCPVGUNY-IRXDYDNUSA-N 1 1 320.481 3.724 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccccc1SC(C)C ZINC000177017956 337152840 /nfs/dbraw/zinc/15/28/40/337152840.db2.gz UNYMAGWMFFJMJJ-OAHLLOKOSA-N 1 1 320.502 3.743 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CCSc1ccccc1F ZINC000178321939 337163900 /nfs/dbraw/zinc/16/39/00/337163900.db2.gz XQTZVRMSADHEIX-HNNXBMFYSA-N 1 1 319.449 3.587 10 0 DHAEMO CCn1cc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)cn1 ZINC000178610988 337165377 /nfs/dbraw/zinc/16/53/77/337165377.db2.gz YFLSHHDMLCURCI-HNAYVOBHSA-N 1 1 306.413 3.738 10 0 DHAEMO COCc1cccc(C[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)c1 ZINC000179206064 337168187 /nfs/dbraw/zinc/16/81/87/337168187.db2.gz RYOHCJRPSDBEQF-QGZVFWFLSA-N 1 1 316.470 3.978 10 0 DHAEMO Cn1cc([C@@H]2CC[N@@H+](C/C=C/c3ccc(Cl)cc3)C2)cn1 ZINC000179806587 337171839 /nfs/dbraw/zinc/17/18/39/337171839.db2.gz NQAVGRZUFARLMO-XYBNCVKDSA-N 1 1 301.821 3.576 10 0 DHAEMO COC(=O)c1ccc(F)c(C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000181946200 337185488 /nfs/dbraw/zinc/18/54/88/337185488.db2.gz FLAXTMLWSXLRLS-HNNXBMFYSA-N 1 1 303.333 3.542 10 0 DHAEMO COC(=O)c1ccc(F)c(C[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000181946200 337185489 /nfs/dbraw/zinc/18/54/89/337185489.db2.gz FLAXTMLWSXLRLS-HNNXBMFYSA-N 1 1 303.333 3.542 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)N(Cc2ccccc2)C(C)C)o1 ZINC000183076202 337191281 /nfs/dbraw/zinc/19/12/81/337191281.db2.gz DAFIJVUGFNQOMS-INIZCTEOSA-N 1 1 314.429 3.676 10 0 DHAEMO Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000184249991 337197588 /nfs/dbraw/zinc/19/75/88/337197588.db2.gz SXRXAGLVIYLDIK-HOCLYGCPSA-N 1 1 305.466 3.502 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000186219868 337254831 /nfs/dbraw/zinc/25/48/31/337254831.db2.gz VZBZERTXMDAVMX-IRXDYDNUSA-N 1 1 310.445 3.705 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC000105853039 337386817 /nfs/dbraw/zinc/38/68/17/337386817.db2.gz MVOGWODHNZHNME-MRXNPFEDSA-N 1 1 303.450 3.579 10 0 DHAEMO O=C(C[N@@H+]1CCC[C@@H]1c1ccco1)N[C@H](c1ccccc1)C1CC1 ZINC000116293990 337392489 /nfs/dbraw/zinc/39/24/89/337392489.db2.gz RBQBHVMIIJLSBW-YLJYHZDGSA-N 1 1 324.424 3.684 10 0 DHAEMO O=C(C[N@H+]1CCC[C@@H]1c1ccco1)N[C@H](c1ccccc1)C1CC1 ZINC000116293990 337392490 /nfs/dbraw/zinc/39/24/90/337392490.db2.gz RBQBHVMIIJLSBW-YLJYHZDGSA-N 1 1 324.424 3.684 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000122729427 337396949 /nfs/dbraw/zinc/39/69/49/337396949.db2.gz LFTJWRFUTTZRKY-MRXNPFEDSA-N 1 1 305.372 3.652 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000122729427 337396950 /nfs/dbraw/zinc/39/69/50/337396950.db2.gz LFTJWRFUTTZRKY-MRXNPFEDSA-N 1 1 305.372 3.652 10 0 DHAEMO COCCCCC[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134827650 341224782 /nfs/dbraw/zinc/22/47/82/341224782.db2.gz BMZQSYCMAOAGBH-KRWDZBQOSA-N 1 1 307.409 3.680 10 0 DHAEMO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@H](O)COC(C)(C)C)c1 ZINC000134872253 341225689 /nfs/dbraw/zinc/22/56/89/341225689.db2.gz ROAUCUPZOZMJNJ-FUHWJXTLSA-N 1 1 305.462 3.616 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C)C2)no1 ZINC000136182540 341254552 /nfs/dbraw/zinc/25/45/52/341254552.db2.gz IAGRBVUXJJILNX-AWEZNQCLSA-N 1 1 319.836 3.795 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000245428434 341293129 /nfs/dbraw/zinc/29/31/29/341293129.db2.gz XFXVJHWOZKIYGD-CJNGLKHVSA-N 1 1 323.868 3.527 10 0 DHAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(Cl)ccc1C ZINC000245439004 341294134 /nfs/dbraw/zinc/29/41/34/341294134.db2.gz ZACCWSFDUXRQDI-GJZGRUSLSA-N 1 1 321.852 3.739 10 0 DHAEMO c1cncc(-c2cccc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)c2)c1 ZINC000245541757 341300838 /nfs/dbraw/zinc/30/08/38/341300838.db2.gz OTVMBXYVKPGXSC-WOJBJXKFSA-N 1 1 308.425 3.892 10 0 DHAEMO CCc1nnc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)n1C ZINC000245943267 341319146 /nfs/dbraw/zinc/31/91/46/341319146.db2.gz VIGMIBWPHDYQPV-JDSLSITLSA-N 1 1 318.852 3.518 10 0 DHAEMO C[C@H](c1ccc2ccccc2c1)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246335194 341342581 /nfs/dbraw/zinc/34/25/81/341342581.db2.gz DWPKFFDOUULOCJ-CBGDNZLLSA-N 1 1 324.468 3.553 10 0 DHAEMO Cn1cc([C@H]2CCC[N@H+]2[C@H]2CCc3c2cccc3Cl)cn1 ZINC000246632291 341354889 /nfs/dbraw/zinc/35/48/89/341354889.db2.gz JCWZMUUPISLIQQ-SJORKVTESA-N 1 1 301.821 3.898 10 0 DHAEMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)[C@H](C)C1 ZINC000248531249 341379210 /nfs/dbraw/zinc/37/92/10/341379210.db2.gz FFGJNVMHNBKHOA-VQHPVUNQSA-N 1 1 308.510 3.638 10 0 DHAEMO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)[C@@H](C)C1 ZINC000248531247 341379220 /nfs/dbraw/zinc/37/92/20/341379220.db2.gz FFGJNVMHNBKHOA-NXOAAHMSSA-N 1 1 308.510 3.638 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@H+](CC[C@H](C)c3ccccc3)C2)no1 ZINC000248997117 341391569 /nfs/dbraw/zinc/39/15/69/341391569.db2.gz PIMJUPHOARZAMK-RDJZCZTQSA-N 1 1 313.445 3.826 10 0 DHAEMO CCc1csc([C@H]2CCC[N@@H+](Cc3c(C)noc3C)C2)n1 ZINC000157042737 522116969 /nfs/dbraw/zinc/11/69/69/522116969.db2.gz QHWAHHXUQUOOTR-ZDUSSCGKSA-N 1 1 305.447 3.690 10 0 DHAEMO CCc1csc([C@H]2CCC[N@@H+](CCc3ccncc3)C2)n1 ZINC000157816588 522118478 /nfs/dbraw/zinc/11/84/78/522118478.db2.gz GBNDDCNBAHSVKD-HNNXBMFYSA-N 1 1 301.459 3.523 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000181488237 523157510 /nfs/dbraw/zinc/15/75/10/523157510.db2.gz DWORBNDNKPAZTJ-SFHVURJKSA-N 1 1 316.424 3.767 10 0 DHAEMO CCc1ccc([C@@H]2CCCC[N@H+]2C[C@H](O)CC(F)(F)F)o1 ZINC000189391750 524035717 /nfs/dbraw/zinc/03/57/17/524035717.db2.gz WYTMEOIFDLQKJX-YPMHNXCESA-N 1 1 305.340 3.682 10 0 DHAEMO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cccc(C(F)(F)F)c1 ZINC000181601572 525495931 /nfs/dbraw/zinc/49/59/31/525495931.db2.gz PJETXRZXGZLTMP-JTQLQIEISA-N 1 1 324.350 3.562 10 0 DHAEMO COc1cccc(C[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)c1 ZINC000157797173 525940082 /nfs/dbraw/zinc/94/00/82/525940082.db2.gz ADBJZWCFOLBRBG-OAHLLOKOSA-N 1 1 302.443 3.840 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000182148961 527188361 /nfs/dbraw/zinc/18/83/61/527188361.db2.gz QIMHFFPTWYZRTF-JKSUJKDBSA-N 1 1 320.387 3.687 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000180129879 527440110 /nfs/dbraw/zinc/44/01/10/527440110.db2.gz OAIBYXFAYMYYGQ-HNNXBMFYSA-N 1 1 307.800 3.649 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(CC(C)C)s1 ZINC000180133854 527441792 /nfs/dbraw/zinc/44/17/92/527441792.db2.gz OUBZGXJNPWCGBG-HNNXBMFYSA-N 1 1 318.490 3.511 10 0 DHAEMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068593169 563495827 /nfs/dbraw/zinc/49/58/27/563495827.db2.gz SUMRNPXVOUVXAY-BFYDXBDKSA-N 1 1 318.461 3.810 10 0 DHAEMO CCCCc1nc(Cl)c(C[NH2+][C@H](C)c2cccc(O)c2)[nH]1 ZINC000088398962 185248566 /nfs/dbraw/zinc/24/85/66/185248566.db2.gz RPZGDDXDIQJROU-LLVKDONJSA-N 1 1 307.825 3.962 10 0 DHAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000088559935 185258046 /nfs/dbraw/zinc/25/80/46/185258046.db2.gz PHIPLCSUYCYSCL-BXUZGUMPSA-N 1 1 304.825 3.680 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000090224010 185287218 /nfs/dbraw/zinc/28/72/18/185287218.db2.gz DJFSUSPQYCNPDY-IINYFYTJSA-N 1 1 324.350 3.791 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(F)c(Cl)c3)C2)no1 ZINC000092813879 185343462 /nfs/dbraw/zinc/34/34/62/185343462.db2.gz MQAKYHSSHSAAMP-LBPRGKRZSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)no1 ZINC000092813879 185343463 /nfs/dbraw/zinc/34/34/63/185343463.db2.gz MQAKYHSSHSAAMP-LBPRGKRZSA-N 1 1 323.799 3.625 10 0 DHAEMO CCC[C@@H]1[C@H](CC(=O)NC(C)C)CC[N@H+]1Cc1ccccc1 ZINC000005469700 181247350 /nfs/dbraw/zinc/24/73/50/181247350.db2.gz FDZLZLAFLPFOSA-ZWKOTPCHSA-N 1 1 302.462 3.592 10 0 DHAEMO COC[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(F)c(F)c1 ZINC000091413255 193053357 /nfs/dbraw/zinc/05/33/57/193053357.db2.gz VDUAORPJMXKXDF-SJORKVTESA-N 1 1 319.351 3.766 10 0 DHAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2ccccc2c1 ZINC000091984119 193135880 /nfs/dbraw/zinc/13/58/80/193135880.db2.gz CPTHXYDGFURXEX-RDTXWAMCSA-N 1 1 309.413 3.540 10 0 DHAEMO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000093437979 193251910 /nfs/dbraw/zinc/25/19/10/193251910.db2.gz QSMHGAIYGPBRLW-IBGZPJMESA-N 1 1 321.428 3.631 10 0 DHAEMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000093437979 193251911 /nfs/dbraw/zinc/25/19/11/193251911.db2.gz QSMHGAIYGPBRLW-IBGZPJMESA-N 1 1 321.428 3.631 10 0 DHAEMO Fc1ccc([C@@H](CCC[NH+]2CCNCC2)c2ccccc2)cc1 ZINC000022864211 182338376 /nfs/dbraw/zinc/33/83/76/182338376.db2.gz IVBRMABBDOJLRU-FQEVSTJZSA-N 1 1 312.432 3.643 10 0 DHAEMO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](C3CCCC3)C2)o1 ZINC000023430268 182360759 /nfs/dbraw/zinc/36/07/59/182360759.db2.gz FMAUIMHXRDEVCQ-MRXNPFEDSA-N 1 1 318.461 3.639 10 0 DHAEMO CC(C)[N@@H+](CCC(N)=S)Cc1c(Cl)cccc1Cl ZINC000042529386 183280820 /nfs/dbraw/zinc/28/08/20/183280820.db2.gz RRIMQXBHLZVDNL-UHFFFAOYSA-N 1 1 305.274 3.880 10 0 DHAEMO C[C@H](CN1CCCC1)[NH2+][C@@H](C)c1ccccc1Br ZINC000042597529 183289730 /nfs/dbraw/zinc/28/97/30/183289730.db2.gz JERUTYQBGQDATQ-OLZOCXBDSA-N 1 1 311.267 3.584 10 0 DHAEMO C[C@H](C[NH+]1CCCC1)N[C@@H](C)c1cccc(Br)c1 ZINC000042597305 183289886 /nfs/dbraw/zinc/28/98/86/183289886.db2.gz VNMNZPXISAUVLZ-OLZOCXBDSA-N 1 1 311.267 3.584 10 0 DHAEMO CC[C@H](N)[C@H](c1cccc(Br)c1)[N@@H+](CC)C(C)C ZINC000043020325 183328539 /nfs/dbraw/zinc/32/85/39/183328539.db2.gz BARSZRFBCOGEMA-GJZGRUSLSA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(CC)C(C)C ZINC000043020325 183328540 /nfs/dbraw/zinc/32/85/40/183328540.db2.gz BARSZRFBCOGEMA-GJZGRUSLSA-N 1 1 313.283 3.958 10 0 DHAEMO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@H+](CC)C1CC1 ZINC000043020296 183328616 /nfs/dbraw/zinc/32/86/16/183328616.db2.gz DMKBRCXWHYYRSK-LSDHHAIUSA-N 1 1 311.267 3.712 10 0 DHAEMO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](CC)C1CC1 ZINC000043020296 183328617 /nfs/dbraw/zinc/32/86/17/183328617.db2.gz DMKBRCXWHYYRSK-LSDHHAIUSA-N 1 1 311.267 3.712 10 0 DHAEMO CCCCC[N@H+](C)[C@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020409 183329185 /nfs/dbraw/zinc/32/91/85/183329185.db2.gz AQVFMVRUUGPJDD-DOMZBBRYSA-N 1 1 313.283 3.959 10 0 DHAEMO CCCCC[N@@H+](C)[C@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020409 183329186 /nfs/dbraw/zinc/32/91/86/183329186.db2.gz AQVFMVRUUGPJDD-DOMZBBRYSA-N 1 1 313.283 3.959 10 0 DHAEMO CC[C@@H](C)C[N@@H+](C)CC[C@H](O)c1cccc(Br)c1 ZINC000053972745 183918236 /nfs/dbraw/zinc/91/82/36/183918236.db2.gz FXEQRCDXSRSDJJ-DOMZBBRYSA-N 1 1 314.267 3.851 10 0 DHAEMO COc1ccc([C@H](C)N[C@H](C[NH+](C)C)c2ccccc2)cc1F ZINC000120437676 132141944 /nfs/dbraw/zinc/14/19/44/132141944.db2.gz WRIQXZNJLONFCH-KBXCAEBGSA-N 1 1 316.420 3.788 10 0 DHAEMO COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000182104570 333149539 /nfs/dbraw/zinc/14/95/39/333149539.db2.gz BMMUCIJPGZBKTI-JTQLQIEISA-N 1 1 323.314 3.741 10 0 DHAEMO CC[N@@H+]1CCC[C@@H](NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000040502776 333353500 /nfs/dbraw/zinc/35/35/00/333353500.db2.gz DATLFURVQFQCHG-CYBMUJFWSA-N 1 1 318.795 3.515 10 0 DHAEMO Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@@H]1CCCn2ncnc21 ZINC000164812729 334669025 /nfs/dbraw/zinc/66/90/25/334669025.db2.gz IVMBBAAWJACMGY-QWHCGFSZSA-N 1 1 323.227 3.697 10 0 DHAEMO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccncc1OC ZINC000188779836 334872313 /nfs/dbraw/zinc/87/23/13/334872313.db2.gz LVZYYHKSDPNOTD-ZIAGYGMSSA-N 1 1 300.402 3.819 10 0 DHAEMO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000179373458 335952626 /nfs/dbraw/zinc/95/26/26/335952626.db2.gz YKIKFXMDYFPVGF-AWEZNQCLSA-N 1 1 300.450 3.971 10 0 DHAEMO CCC[N@H+]1CCCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000301401451 336304599 /nfs/dbraw/zinc/30/45/99/336304599.db2.gz QILNVXQLKDOLSG-UHFFFAOYSA-N 1 1 303.837 3.810 10 0 DHAEMO CC[S@](=O)[C@@H]1CCC[C@@H](Nc2cc[nH+]c3ccsc32)C1 ZINC000301579857 336316278 /nfs/dbraw/zinc/31/62/78/336316278.db2.gz UKSBTZDKMHJFJG-HTGLOVNISA-N 1 1 308.472 3.788 10 0 DHAEMO Cc1[nH+]c(N2CCCC2)ccc1Nc1ccc(C(F)(F)F)nn1 ZINC000301947630 336339449 /nfs/dbraw/zinc/33/94/49/336339449.db2.gz HPBMRVPCZCSQKF-UHFFFAOYSA-N 1 1 323.322 3.543 10 0 DHAEMO CCc1cc(N2CCO[C@H](c3ccc(C)cc3C)C2)nc(C)[nH+]1 ZINC000302095327 336348241 /nfs/dbraw/zinc/34/82/41/336348241.db2.gz NUCUGMOZXHMYSZ-SFHVURJKSA-N 1 1 311.429 3.542 10 0 DHAEMO c1ncn([C@@H]2CCC[N@@H+](C3c4ccccc4-c4ccccc43)C2)n1 ZINC000171704158 337088639 /nfs/dbraw/zinc/08/86/39/337088639.db2.gz FNQNVGFMCXPMTI-OAHLLOKOSA-N 1 1 316.408 3.685 10 0 DHAEMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nccn2C(C)C)C12CCCC2 ZINC000172670629 337129431 /nfs/dbraw/zinc/12/94/31/337129431.db2.gz MIWZSWDNRIUAMU-JKSUJKDBSA-N 1 1 305.466 3.634 10 0 DHAEMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nccn2C(C)C)C12CCCC2 ZINC000172670629 337129432 /nfs/dbraw/zinc/12/94/32/337129432.db2.gz MIWZSWDNRIUAMU-JKSUJKDBSA-N 1 1 305.466 3.634 10 0 DHAEMO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1nnc2n1CCCC2 ZINC000173628091 337136994 /nfs/dbraw/zinc/13/69/94/337136994.db2.gz SDBKHLZZWQBQTC-NWDGAFQWSA-N 1 1 304.825 3.680 10 0 DHAEMO CC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1 ZINC000173625820 337137046 /nfs/dbraw/zinc/13/70/46/337137046.db2.gz LZCIIZDDQTXSBB-IUODEOHRSA-N 1 1 302.397 3.555 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)CCCC(C)C ZINC000175510629 337147809 /nfs/dbraw/zinc/14/78/09/337147809.db2.gz OXKQJKWEKRDSTN-WBVHZDCISA-N 1 1 320.481 3.580 10 0 DHAEMO CC[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccc(C)cc1 ZINC000176154769 337150674 /nfs/dbraw/zinc/15/06/74/337150674.db2.gz KGHAGWJCTMFKTJ-ROUUACIJSA-N 1 1 317.477 3.572 10 0 DHAEMO c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000176683954 337152646 /nfs/dbraw/zinc/15/26/46/337152646.db2.gz KUBXCNBNMLVLIZ-OALUTQOASA-N 1 1 318.424 3.687 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)ccc1Cl ZINC000176974593 337154008 /nfs/dbraw/zinc/15/40/08/337154008.db2.gz OHVBADYFKNSDJW-GFCCVEGCSA-N 1 1 315.244 3.550 10 0 DHAEMO CCCCC[C@@H](C)CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000177187010 337154595 /nfs/dbraw/zinc/15/45/95/337154595.db2.gz JPROALUHXMXRIC-NVXWUHKLSA-N 1 1 305.466 3.789 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000177357072 337155537 /nfs/dbraw/zinc/15/55/37/337155537.db2.gz UAYKMUIQHLMLKF-ZFWWWQNUSA-N 1 1 323.506 3.552 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000178285180 337161978 /nfs/dbraw/zinc/16/19/78/337161978.db2.gz OSHDZYMKNCQAMK-SFHVURJKSA-N 1 1 324.403 3.543 10 0 DHAEMO CCCC(CCC)C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000178815494 337167278 /nfs/dbraw/zinc/16/72/78/337167278.db2.gz FTPHEJPBPCNRES-MRXNPFEDSA-N 1 1 305.466 3.825 10 0 DHAEMO CCCOc1cccc(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000180129809 337171564 /nfs/dbraw/zinc/17/15/64/337171564.db2.gz AYSSFFQKBIXWCC-SFHVURJKSA-N 1 1 313.445 3.645 10 0 DHAEMO CCCOc1cccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000180129798 337171584 /nfs/dbraw/zinc/17/15/84/337171584.db2.gz AYSSFFQKBIXWCC-GOSISDBHSA-N 1 1 313.445 3.645 10 0 DHAEMO CCCCC[C@@H](CC)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000181202939 337180280 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CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000186191882 337254358 /nfs/dbraw/zinc/25/43/58/337254358.db2.gz JTJNOUOUPAZMPT-IAGOWNOFSA-N 1 1 324.472 3.959 10 0 DHAEMO CN1C(=O)CCc2cc(C[N@H+]3CCC[C@@H]3c3ccco3)ccc21 ZINC000186966423 337261783 /nfs/dbraw/zinc/26/17/83/337261783.db2.gz PXVWVRZWEMVRGQ-QGZVFWFLSA-N 1 1 310.397 3.526 10 0 DHAEMO Cc1ccccc1[C@H](C)[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188056397 337270283 /nfs/dbraw/zinc/27/02/83/337270283.db2.gz YVVZGFNLUDAYOZ-LESCRADOSA-N 1 1 301.455 3.825 10 0 DHAEMO Cc1cc(C)cc(C[N@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)c1 ZINC000188105200 337270923 /nfs/dbraw/zinc/27/09/23/337270923.db2.gz CKVAAXIQOODGJZ-MSOLQXFVSA-N 1 1 301.455 3.573 10 0 DHAEMO CC(C)c1nc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cs1 ZINC000188144630 337271095 /nfs/dbraw/zinc/27/10/95/337271095.db2.gz VXSSFOPPBNPWMP-ZFWWWQNUSA-N 1 1 322.499 3.536 10 0 DHAEMO CC(C)c1nc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cs1 ZINC000188144630 337271096 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CCn1c(C)nnc1C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000245949450 341319361 /nfs/dbraw/zinc/31/93/61/341319361.db2.gz WFSGWHSVCCGLHV-XQAQDONZSA-N 1 1 318.852 3.747 10 0 DHAEMO CC(C)Sc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000246737647 341356490 /nfs/dbraw/zinc/35/64/90/341356490.db2.gz AWLBYWQBYAGULC-WMLDXEAASA-N 1 1 320.502 3.646 10 0 DHAEMO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246766222 341356973 /nfs/dbraw/zinc/35/69/73/341356973.db2.gz QZQCPMNVOAEWDW-YJBOKZPZSA-N 1 1 303.352 3.581 10 0 DHAEMO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246766222 341356974 /nfs/dbraw/zinc/35/69/74/341356974.db2.gz QZQCPMNVOAEWDW-YJBOKZPZSA-N 1 1 303.352 3.581 10 0 DHAEMO O[C@H]1C[C@@H](c2cc(F)ccc2F)[N@@H+](CCCc2ccccc2)C1 ZINC000246903469 341358431 /nfs/dbraw/zinc/35/84/31/341358431.db2.gz XUJYEZUXXFERCK-LPHOPBHVSA-N 1 1 317.379 3.705 10 0 DHAEMO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247194149 341362066 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CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000183093147 519545650 /nfs/dbraw/zinc/54/56/50/519545650.db2.gz JXGRNMSYEDDNEK-HNNXBMFYSA-N 1 1 308.429 3.938 10 0 DHAEMO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000183093165 519547750 /nfs/dbraw/zinc/54/77/50/519547750.db2.gz JXGRNMSYEDDNEK-OAHLLOKOSA-N 1 1 308.429 3.938 10 0 DHAEMO CCc1csc([C@@H]2CCC[N@H+](Cc3ccn(C(C)C)n3)C2)n1 ZINC000172013209 522111935 /nfs/dbraw/zinc/11/19/35/522111935.db2.gz JVJYGPBWHSDAHR-CQSZACIVSA-N 1 1 318.490 3.863 10 0 DHAEMO CCc1csc([C@@H]2CCC[N@@H+](Cc3ccn(C(C)C)n3)C2)n1 ZINC000172013209 522111951 /nfs/dbraw/zinc/11/19/51/522111951.db2.gz JVJYGPBWHSDAHR-CQSZACIVSA-N 1 1 318.490 3.863 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2csc(Cl)c2)C1 ZINC000189308423 522589525 /nfs/dbraw/zinc/58/95/25/522589525.db2.gz WWDBLRAMKUCHKC-GFCCVEGCSA-N 1 1 323.849 3.638 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2csc(Cl)c2)C1 ZINC000189308450 522600391 /nfs/dbraw/zinc/60/03/91/522600391.db2.gz WWDBLRAMKUCHKC-LBPRGKRZSA-N 1 1 323.849 3.638 10 0 DHAEMO COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000106223409 524207562 /nfs/dbraw/zinc/20/75/62/524207562.db2.gz WGYSUVZBONGCCB-MRXNPFEDSA-N 1 1 319.836 3.691 10 0 DHAEMO COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000106223409 524207567 /nfs/dbraw/zinc/20/75/67/524207567.db2.gz WGYSUVZBONGCCB-MRXNPFEDSA-N 1 1 319.836 3.691 10 0 DHAEMO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000238854048 525707145 /nfs/dbraw/zinc/70/71/45/525707145.db2.gz MIYNQZRSMKSJTR-YQQAZPJKSA-N 1 1 318.461 3.810 10 0 DHAEMO Cc1ccc([C@@H](C)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)o1 ZINC000158121427 525746719 /nfs/dbraw/zinc/74/67/19/525746719.db2.gz RAXCYZLPXVFNKG-HZPDHXFCSA-N 1 1 316.445 3.940 10 0 DHAEMO Cc1cnc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)s1 ZINC000180523899 526020253 /nfs/dbraw/zinc/02/02/53/526020253.db2.gz CWFZYLFODLXSRG-HOTGVXAUSA-N 1 1 302.443 3.540 10 0 DHAEMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1 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DHAEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc(OCC3CC3)cc2)cn1 ZINC000191322857 527299167 /nfs/dbraw/zinc/29/91/67/527299167.db2.gz ZTNCKUHGHQQJBH-IBGZPJMESA-N 1 1 311.429 3.546 10 0 DHAEMO O[C@H](CCc1ccccc1)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000182299466 527682918 /nfs/dbraw/zinc/68/29/18/527682918.db2.gz RKIKBMIIKGRPOO-IAGOWNOFSA-N 1 1 316.470 3.664 10 0 DHAEMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000253388122 563884338 /nfs/dbraw/zinc/88/43/38/563884338.db2.gz YZUWHSJNFAERJI-SCAQPMJSSA-N 1 1 318.461 3.953 10 0 DHAEMO CC(=O)N(C1CCC1)[C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)CC1 ZINC000328632929 563929902 /nfs/dbraw/zinc/92/99/02/563929902.db2.gz LPAJUDSVQLGTHT-MJGOQNOKSA-N 1 1 304.478 3.598 10 0 DHAEMO CC[N@@H+](Cc1ncc(-c2ccccc2Cl)o1)C[C@H]1CCCO1 ZINC000075676104 1030667854 /nfs/dbraw/zinc/66/78/54/1030667854.db2.gz TXAABKAERSRLAJ-CYBMUJFWSA-N 1 1 320.820 3.996 10 0 DHAEMO CC[N@H+](Cc1ncc(-c2ccccc2Cl)o1)C[C@H]1CCCO1 ZINC000075676104 1030667865 /nfs/dbraw/zinc/66/78/65/1030667865.db2.gz TXAABKAERSRLAJ-CYBMUJFWSA-N 1 1 320.820 3.996 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000090226499 185287680 /nfs/dbraw/zinc/28/76/80/185287680.db2.gz HLLYLKKLCOKKPE-YGRLFVJLSA-N 1 1 324.350 3.791 10 0 DHAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000073654423 191337266 /nfs/dbraw/zinc/33/72/66/191337266.db2.gz AJCLSGHYNBJLKO-WBVHZDCISA-N 1 1 318.461 3.764 10 0 DHAEMO Nc1nc(N)c2cc(CNc3cccc4ccccc43)ccc2[nH+]1 ZINC000005940023 181298482 /nfs/dbraw/zinc/29/84/82/181298482.db2.gz OIWLBXVOEQWTCG-UHFFFAOYSA-N 1 1 315.380 3.560 10 0 DHAEMO CCOc1cc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)ccc1OC ZINC000093438153 193251596 /nfs/dbraw/zinc/25/15/96/193251596.db2.gz NRIADAWNGRAYJO-MRXNPFEDSA-N 1 1 315.417 3.544 10 0 DHAEMO CCOc1cc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)ccc1OC ZINC000093438153 193251598 /nfs/dbraw/zinc/25/15/98/193251598.db2.gz NRIADAWNGRAYJO-MRXNPFEDSA-N 1 1 315.417 3.544 10 0 DHAEMO CCCC[N@H+](CC)[C@H](CN)c1ccc(Br)s1 ZINC000019396236 182120726 /nfs/dbraw/zinc/12/07/26/182120726.db2.gz XBYWZZFQOIUBGA-SNVBAGLBSA-N 1 1 305.285 3.632 10 0 DHAEMO CCCC[N@@H+](CC)[C@H](CN)c1ccc(Br)s1 ZINC000019396236 182120728 /nfs/dbraw/zinc/12/07/28/182120728.db2.gz XBYWZZFQOIUBGA-SNVBAGLBSA-N 1 1 305.285 3.632 10 0 DHAEMO Fc1cccc(C[N@@H+]2CCc3[nH]nc(-c4ccccc4)c3C2)c1 ZINC000020999760 182258694 /nfs/dbraw/zinc/25/86/94/182258694.db2.gz AFTZEGFCWDJKFG-UHFFFAOYSA-N 1 1 307.372 3.774 10 0 DHAEMO Fc1cccc(C[N@H+]2CCc3[nH]nc(-c4ccccc4)c3C2)c1 ZINC000020999760 182258697 /nfs/dbraw/zinc/25/86/97/182258697.db2.gz AFTZEGFCWDJKFG-UHFFFAOYSA-N 1 1 307.372 3.774 10 0 DHAEMO CCC[N@H+](Cc1ccc(C)cc1C)C[C@@H](O)COCC(C)C ZINC000036100811 182800842 /nfs/dbraw/zinc/80/08/42/182800842.db2.gz MSIUNGMRHQVFHQ-LJQANCHMSA-N 1 1 307.478 3.549 10 0 DHAEMO CC(C)C[N@H+]([C@H](CN)c1cc(Br)cs1)C1CC1 ZINC000042555365 183284103 /nfs/dbraw/zinc/28/41/03/183284103.db2.gz CEGUHNXECLOEON-GFCCVEGCSA-N 1 1 317.296 3.631 10 0 DHAEMO CC(C)C[N@@H+]([C@H](CN)c1cc(Br)cs1)C1CC1 ZINC000042555365 183284106 /nfs/dbraw/zinc/28/41/06/183284106.db2.gz CEGUHNXECLOEON-GFCCVEGCSA-N 1 1 317.296 3.631 10 0 DHAEMO C[C@H](C[NH+]1CCCC1)N[C@@H](C)c1ccc(Br)cc1 ZINC000042597274 183289771 /nfs/dbraw/zinc/28/97/71/183289771.db2.gz IVOQSDUXWMBBAO-OLZOCXBDSA-N 1 1 311.267 3.584 10 0 DHAEMO C[C@@H]([N@@H+](C)[C@@H](CN)c1ccc(Br)cc1)C(C)(C)C ZINC000042742291 183304531 /nfs/dbraw/zinc/30/45/31/183304531.db2.gz JJACCYTZXUKKGI-RISCZKNCSA-N 1 1 313.283 3.815 10 0 DHAEMO C[C@@H](N(C)[C@@H](C[NH3+])c1ccc(Br)cc1)C(C)(C)C ZINC000042742291 183304533 /nfs/dbraw/zinc/30/45/33/183304533.db2.gz JJACCYTZXUKKGI-RISCZKNCSA-N 1 1 313.283 3.815 10 0 DHAEMO CCCN(CCC)[C@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042952095 183320562 /nfs/dbraw/zinc/32/05/62/183320562.db2.gz ZYZOVBFLMSKELB-WFASDCNBSA-N 1 1 313.283 3.959 10 0 DHAEMO CCC[N@@H+](CC)[C@@H](c1ccc(Br)cc1)[C@H](N)CC ZINC000042952862 183322053 /nfs/dbraw/zinc/32/20/53/183322053.db2.gz XYLYLHHARMESLN-CABCVRRESA-N 1 1 313.283 3.959 10 0 DHAEMO CCCN(CC)[C@@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042952862 183322055 /nfs/dbraw/zinc/32/20/55/183322055.db2.gz XYLYLHHARMESLN-CABCVRRESA-N 1 1 313.283 3.959 10 0 DHAEMO CC(C)(C)c1ccccc1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000104974905 194060479 /nfs/dbraw/zinc/06/04/79/194060479.db2.gz AECOQICAFMZDKM-OAHLLOKOSA-N 1 1 315.461 3.686 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)c1 ZINC000106219877 194190918 /nfs/dbraw/zinc/19/09/18/194190918.db2.gz VXRHICHRVVQYMQ-HNNXBMFYSA-N 1 1 321.371 3.630 10 0 DHAEMO Cc1ccc(-c2cc3n(n2)CCC[N@H+](Cc2cccnc2)C3)cc1 ZINC000065270459 184320447 /nfs/dbraw/zinc/32/04/47/184320447.db2.gz PDTUGGBXZKYDJG-UHFFFAOYSA-N 1 1 318.424 3.659 10 0 DHAEMO Cc1ccc(-c2cc3n(n2)CCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC000065270459 184320448 /nfs/dbraw/zinc/32/04/48/184320448.db2.gz PDTUGGBXZKYDJG-UHFFFAOYSA-N 1 1 318.424 3.659 10 0 DHAEMO CCn1c([C@@H]2CC[N@@H+](Cc3ccsc3)C2)nc2cccnc21 ZINC000065285338 184321116 /nfs/dbraw/zinc/32/11/16/184321116.db2.gz RSRCUSSBHOQNEP-CQSZACIVSA-N 1 1 312.442 3.502 10 0 DHAEMO CO[C@@H]1CC[N@@H+](Cc2csc(C)n2)C[C@H]1Cc1ccccc1 ZINC000247983371 257113018 /nfs/dbraw/zinc/11/30/18/257113018.db2.gz YDMZLZHPINGFBY-SJLPKXTDSA-N 1 1 316.470 3.531 10 0 DHAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC000238855280 257260295 /nfs/dbraw/zinc/26/02/95/257260295.db2.gz RFSKETHKTZEBGO-HLLBOEOZSA-N 1 1 318.461 3.668 10 0 DHAEMO COc1ccc([C@@H](C)N[C@H](C[NH+](C)C)c2ccccc2)cc1F ZINC000120437810 132142113 /nfs/dbraw/zinc/14/21/13/132142113.db2.gz WRIQXZNJLONFCH-RDTXWAMCSA-N 1 1 316.420 3.788 10 0 DHAEMO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2ncnn2CC(C)C)cc1 ZINC000183092791 331521175 /nfs/dbraw/zinc/52/11/75/331521175.db2.gz TZJVWANECZNXII-INIZCTEOSA-N 1 1 314.477 3.983 10 0 DHAEMO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000092708253 332139497 /nfs/dbraw/zinc/13/94/97/332139497.db2.gz JFYPUFCJVFDQGK-HNNXBMFYSA-N 1 1 316.470 3.782 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(F)ccc3Cl)C2)c1 ZINC000188966349 333058803 /nfs/dbraw/zinc/05/88/03/333058803.db2.gz BMTSJCRPXNXNCI-OAHLLOKOSA-N 1 1 307.800 3.821 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3Cl)C2)c1 ZINC000188966349 333058805 /nfs/dbraw/zinc/05/88/05/333058805.db2.gz BMTSJCRPXNXNCI-OAHLLOKOSA-N 1 1 307.800 3.821 10 0 DHAEMO CC(C)[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccccc1Cl ZINC000187729625 334269952 /nfs/dbraw/zinc/26/99/52/334269952.db2.gz LXMXHSKPNGTGFN-HNNXBMFYSA-N 1 1 306.793 3.519 10 0 DHAEMO Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+][C@H]1CCCn2ncnc21 ZINC000164812973 334668937 /nfs/dbraw/zinc/66/89/37/334668937.db2.gz IVMBBAAWJACMGY-STQMWFEESA-N 1 1 323.227 3.697 10 0 DHAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1Oc1cccnc1 ZINC000113270735 335301077 /nfs/dbraw/zinc/30/10/77/335301077.db2.gz DKMZVECYUWJWPV-FUHWJXTLSA-N 1 1 323.440 3.542 10 0 DHAEMO CC(=O)N(c1nc(C[NH2+][C@H]2C[C@H]2C)cs1)c1ccc(C)cc1 ZINC000113335661 335325016 /nfs/dbraw/zinc/32/50/16/335325016.db2.gz YAPUZOPMEGDSES-WBMJQRKESA-N 1 1 315.442 3.634 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+](CCSCc3ccccc3)C2)c1 ZINC000192577853 336159322 /nfs/dbraw/zinc/15/93/22/336159322.db2.gz XOXLLXNOKGDUKL-SFHVURJKSA-N 1 1 315.486 3.762 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1CCSCc1ccccc1 ZINC000192613452 336194665 /nfs/dbraw/zinc/19/46/65/336194665.db2.gz VJOAKDWXSHMLBP-GOSISDBHSA-N 1 1 315.486 3.589 10 0 DHAEMO CC(C)(C)c1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000104971574 336273110 /nfs/dbraw/zinc/27/31/10/336273110.db2.gz GPZWMDAXOPMJQC-QGZVFWFLSA-N 1 1 315.461 3.686 10 0 DHAEMO CCC[N@H+]1CCCN(c2ccnc3ccc(Cl)cc32)CC1 ZINC000301399863 336304320 /nfs/dbraw/zinc/30/43/20/336304320.db2.gz PLOFIQIWUSTYIT-UHFFFAOYSA-N 1 1 303.837 3.810 10 0 DHAEMO CC[N@H+]1CCc2c(cccc2Nc2nccc(C(F)(F)F)n2)C1 ZINC000301692627 336323789 /nfs/dbraw/zinc/32/37/89/336323789.db2.gz LGODMEVFUSTBGO-UHFFFAOYSA-N 1 1 322.334 3.617 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC000122817977 337026622 /nfs/dbraw/zinc/02/66/22/337026622.db2.gz PGVUOARIUWZOSQ-MRXNPFEDSA-N 1 1 305.372 3.652 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC000122817977 337026623 /nfs/dbraw/zinc/02/66/23/337026623.db2.gz PGVUOARIUWZOSQ-MRXNPFEDSA-N 1 1 305.372 3.652 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@H+](Cc3cccn3CCC(C)C)C2)c1 ZINC000123116287 337038009 /nfs/dbraw/zinc/03/80/09/337038009.db2.gz HYYKBEMAPXMYFS-IBGZPJMESA-N 1 1 314.477 3.876 10 0 DHAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(Cl)cc2cccnc21 ZINC000172081443 337089696 /nfs/dbraw/zinc/08/96/96/337089696.db2.gz QHOOSLLVLYSFGJ-SUMWQHHRSA-N 1 1 315.848 3.557 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC000172290231 337091669 /nfs/dbraw/zinc/09/16/69/337091669.db2.gz WHUVPTZFFAIWKF-LJQANCHMSA-N 1 1 309.457 3.863 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C)c(F)c2)o1 ZINC000172593996 337130265 /nfs/dbraw/zinc/13/02/65/337130265.db2.gz JTBRKYHTKMWNKD-OLZOCXBDSA-N 1 1 304.365 3.713 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccc(Cl)cc2)o1 ZINC000172879908 337131657 /nfs/dbraw/zinc/13/16/57/337131657.db2.gz BXELQDUPHNHXFC-CHWSQXEVSA-N 1 1 320.820 3.597 10 0 DHAEMO CC(C)c1nnc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)n1C ZINC000172943816 337132575 /nfs/dbraw/zinc/13/25/75/337132575.db2.gz VEJVTUQXKFIULH-WBVHZDCISA-N 1 1 312.461 3.564 10 0 DHAEMO CC(C)c1nnc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)n1C ZINC000172943816 337132576 /nfs/dbraw/zinc/13/25/76/337132576.db2.gz VEJVTUQXKFIULH-WBVHZDCISA-N 1 1 312.461 3.564 10 0 DHAEMO Cc1csc([C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(C)cc3)C2)n1 ZINC000174764137 337143508 /nfs/dbraw/zinc/14/35/08/337143508.db2.gz VMODKKUXDQLWPT-DLBZAZTESA-N 1 1 316.470 3.673 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccccc1Cl ZINC000175148695 337144697 /nfs/dbraw/zinc/14/46/97/337144697.db2.gz HGHPPBXBUFPOOT-ZDUSSCGKSA-N 1 1 318.808 3.541 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCCC1CCCC1 ZINC000177223481 337154883 /nfs/dbraw/zinc/15/48/83/337154883.db2.gz KALTUOHYLCMBPM-QGZVFWFLSA-N 1 1 303.450 3.543 10 0 DHAEMO CCC[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000177336615 337156911 /nfs/dbraw/zinc/15/69/11/337156911.db2.gz MLDQRNXJLVZUGC-ZWKOTPCHSA-N 1 1 317.477 3.654 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CC1CCCCCC1 ZINC000177723566 337158933 /nfs/dbraw/zinc/15/89/33/337158933.db2.gz GEHVJXFIEGEMBQ-QGZVFWFLSA-N 1 1 303.450 3.543 10 0 DHAEMO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1nnc2n1CCCC2 ZINC000178076304 337160314 /nfs/dbraw/zinc/16/03/14/337160314.db2.gz DUDHZMQTNVHVNS-BBRMVZONSA-N 1 1 310.445 3.688 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CC2(C)CCCCC2)C1 ZINC000178815463 337167245 /nfs/dbraw/zinc/16/72/45/337167245.db2.gz QWFJFBHJBQYJSV-INIZCTEOSA-N 1 1 317.477 3.970 10 0 DHAEMO COCc1cccc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000179214231 337168323 /nfs/dbraw/zinc/16/83/23/337168323.db2.gz GHGSGTFNCVIKQM-SFHVURJKSA-N 1 1 313.445 3.520 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C ZINC000180119784 337171492 /nfs/dbraw/zinc/17/14/92/337171492.db2.gz FOSPXIKOBKYKTB-QGZVFWFLSA-N 1 1 301.409 3.822 10 0 DHAEMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cnn(C(C)C)c2)C12CCCC2 ZINC000179863498 337172285 /nfs/dbraw/zinc/17/22/85/337172285.db2.gz LOBWWFYASRHYEH-SJORKVTESA-N 1 1 305.466 3.634 10 0 DHAEMO CCC[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000183091548 337191296 /nfs/dbraw/zinc/19/12/96/337191296.db2.gz ZZZDLUJVXLDUJT-RDJZCZTQSA-N 1 1 314.429 3.896 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000184134581 337196459 /nfs/dbraw/zinc/19/64/59/337196459.db2.gz DIKADDIAVCTESA-XIRDDKMYSA-N 1 1 317.477 3.645 10 0 DHAEMO Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000184250010 337197572 /nfs/dbraw/zinc/19/75/72/337197572.db2.gz SXRXAGLVIYLDIK-GDBMZVCRSA-N 1 1 305.466 3.502 10 0 DHAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000186191918 337254264 /nfs/dbraw/zinc/25/42/64/337254264.db2.gz JTJNOUOUPAZMPT-DLBZAZTESA-N 1 1 324.472 3.959 10 0 DHAEMO O[C@@H](C[N@H+]1CCC[C@H]1c1ccco1)c1ccc(F)cc1Cl ZINC000187047503 337261383 /nfs/dbraw/zinc/26/13/83/337261383.db2.gz DJVXXPNHQLBAIT-GJZGRUSLSA-N 1 1 309.768 3.943 10 0 DHAEMO C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000187049656 337261443 /nfs/dbraw/zinc/26/14/43/337261443.db2.gz ZLJNHJHLCRQOBO-NEPJUHHUSA-N 1 1 307.800 3.763 10 0 DHAEMO OC[C@@H]1C[N@@H+](CCc2ccccc2Cl)C[C@H]1c1ccsc1 ZINC000188102897 337270881 /nfs/dbraw/zinc/27/08/81/337270881.db2.gz TYZQFPCLSWZZGM-HOTGVXAUSA-N 1 1 321.873 3.652 10 0 DHAEMO C[C@H]([NH2+]Cc1cncc(F)c1)c1ccccc1Br ZINC000230942194 337275214 /nfs/dbraw/zinc/27/52/14/337275214.db2.gz XNZHADSUPDAXFE-JTQLQIEISA-N 1 1 309.182 3.834 10 0 DHAEMO c1csc([C@H]2CCCC[N@@H+]2CC2CCC3(CC2)OCCO3)n1 ZINC000190206176 337285576 /nfs/dbraw/zinc/28/55/76/337285576.db2.gz JRYDTFMEDPUMAP-OAHLLOKOSA-N 1 1 322.474 3.603 10 0 DHAEMO Cc1csc([C@H]2CCC[N@@H+](C[C@H](O)CC3CCCC3)C2)n1 ZINC000191321573 337295906 /nfs/dbraw/zinc/29/59/06/337295906.db2.gz QEZMUQFAMKMSHN-JKSUJKDBSA-N 1 1 308.491 3.572 10 0 DHAEMO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000191367779 337296269 /nfs/dbraw/zinc/29/62/69/337296269.db2.gz OKVDEKRCVGWAFF-IBGZPJMESA-N 1 1 311.429 3.926 10 0 DHAEMO c1n[nH]cc1[C@H]1CCCC[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000191367754 337296308 /nfs/dbraw/zinc/29/63/08/337296308.db2.gz OKVDEKRCVGWAFF-LJQANCHMSA-N 1 1 311.429 3.926 10 0 DHAEMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000192105711 337302919 /nfs/dbraw/zinc/30/29/19/337302919.db2.gz FGEYPYBRQBCWIH-LJQANCHMSA-N 1 1 321.428 3.631 10 0 DHAEMO Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)[C@H](C)C1CC1 ZINC000192939650 337308563 /nfs/dbraw/zinc/30/85/63/337308563.db2.gz SKDFOBJFZMWRMG-GFCCVEGCSA-N 1 1 303.406 3.697 10 0 DHAEMO CCc1ccc([C@H](CC)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1 ZINC000130945457 337435429 /nfs/dbraw/zinc/43/54/29/337435429.db2.gz NGZBWQIAXBUFGL-PBHICJAKSA-N 1 1 312.461 3.979 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCCc3ccccc32)o1 ZINC000194021718 340588168 /nfs/dbraw/zinc/58/81/68/340588168.db2.gz RAYSWJCINNFMJJ-HUUCEWRRSA-N 1 1 312.413 3.607 10 0 DHAEMO CCCCOc1ccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000131911629 341113455 /nfs/dbraw/zinc/11/34/55/341113455.db2.gz RYYQMFLZZNBJBF-IBGZPJMESA-N 1 1 313.445 3.936 10 0 DHAEMO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000133443290 341175367 /nfs/dbraw/zinc/17/53/67/341175367.db2.gz KEVINZUPJCNVLL-IEBWSBKVSA-N 1 1 313.420 3.873 10 0 DHAEMO CC(C)(C)OCC[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134850791 341225166 /nfs/dbraw/zinc/22/51/66/341225166.db2.gz YXJODWCKEARVPG-MRXNPFEDSA-N 1 1 307.409 3.678 10 0 DHAEMO COc1ccc2oc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)cc2c1 ZINC000245544866 341300864 /nfs/dbraw/zinc/30/08/64/341300864.db2.gz SSQHAYYKXHWQLR-AEFFLSMTSA-N 1 1 301.386 3.585 10 0 DHAEMO COc1ccc2oc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)cc2c1 ZINC000245544866 341300865 /nfs/dbraw/zinc/30/08/65/341300865.db2.gz SSQHAYYKXHWQLR-AEFFLSMTSA-N 1 1 301.386 3.585 10 0 DHAEMO COc1ccc([C@@H](C)C[N@H+]2CCCC[C@@H](N3CCCC3)C2)cc1 ZINC000245858836 341316501 /nfs/dbraw/zinc/31/65/01/341316501.db2.gz ODXYYZOECJLPGD-PKOBYXMFSA-N 1 1 316.489 3.749 10 0 DHAEMO COc1ccc([C@@H](C)CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000245858836 341316502 /nfs/dbraw/zinc/31/65/02/341316502.db2.gz ODXYYZOECJLPGD-PKOBYXMFSA-N 1 1 316.489 3.749 10 0 DHAEMO C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246086222 341324420 /nfs/dbraw/zinc/32/44/20/341324420.db2.gz FGEQOWGUHKKSNK-KBPBESRZSA-N 1 1 317.383 3.855 10 0 DHAEMO CCSc1cccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246305809 341341074 /nfs/dbraw/zinc/34/10/74/341341074.db2.gz DLUBQTUHXGTDDB-CZUORRHYSA-N 1 1 321.490 3.649 10 0 DHAEMO C[C@H](C[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F)c1ccccc1 ZINC000246743781 341356587 /nfs/dbraw/zinc/35/65/87/341356587.db2.gz PQOGIPZUGWNQIM-ACWOFJMJSA-N 1 1 317.379 3.876 10 0 DHAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000247112419 341361090 /nfs/dbraw/zinc/36/10/90/341361090.db2.gz FABCJMBHOWVXBS-PBHICJAKSA-N 1 1 315.461 3.685 10 0 DHAEMO Cc1c2cccc(C)c2oc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247519612 341366448 /nfs/dbraw/zinc/36/64/48/341366448.db2.gz YZEOIYMKMIXTGF-CZUORRHYSA-N 1 1 314.429 3.508 10 0 DHAEMO CC(C)[C@@H](C)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000248057490 341372687 /nfs/dbraw/zinc/37/26/87/341372687.db2.gz XQYIYKTZZIPGJU-IAGOWNOFSA-N 1 1 323.525 3.717 10 0 DHAEMO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccccc2OC(F)F)C1 ZINC000248061084 341372879 /nfs/dbraw/zinc/37/28/79/341372879.db2.gz YKAIFTWGNZWLTD-KCQAQPDRSA-N 1 1 312.404 3.667 10 0 DHAEMO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000248061084 341372880 /nfs/dbraw/zinc/37/28/80/341372880.db2.gz YKAIFTWGNZWLTD-KCQAQPDRSA-N 1 1 312.404 3.667 10 0 DHAEMO CCOCCN1CC[N@@H+](CC[C@H](C)c2ccccc2)C[C@H]1CC ZINC000248761776 341386308 /nfs/dbraw/zinc/38/63/08/341386308.db2.gz DRXDNJKLVFDZRD-AZUAARDMSA-N 1 1 318.505 3.613 10 0 DHAEMO CCOCC[N@@H+]1CCN(CC[C@H](C)c2ccccc2)C[C@H]1CC ZINC000248761776 341386309 /nfs/dbraw/zinc/38/63/09/341386309.db2.gz DRXDNJKLVFDZRD-AZUAARDMSA-N 1 1 318.505 3.613 10 0 DHAEMO CCOCC[N@H+]1CCN(CC[C@H](C)c2ccccc2)C[C@H]1CC ZINC000248761776 341386310 /nfs/dbraw/zinc/38/63/10/341386310.db2.gz DRXDNJKLVFDZRD-AZUAARDMSA-N 1 1 318.505 3.613 10 0 DHAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](CCCn3ccnc3)C2)n1 ZINC000182797695 519856822 /nfs/dbraw/zinc/85/68/22/519856822.db2.gz HMHKGHKTEBUZKU-OAHLLOKOSA-N 1 1 318.490 3.733 10 0 DHAEMO CCOc1ccc(-c2nc(C[N@@H+]3CCS[C@@H](C)C3)co2)cc1 ZINC000159844894 520817571 /nfs/dbraw/zinc/81/75/71/520817571.db2.gz CQCBDUHWMNGHOJ-ZDUSSCGKSA-N 1 1 318.442 3.678 10 0 DHAEMO CCOc1ccc(-c2nc(C[N@H+]3CCS[C@@H](C)C3)co2)cc1 ZINC000159844894 520817575 /nfs/dbraw/zinc/81/75/75/520817575.db2.gz CQCBDUHWMNGHOJ-ZDUSSCGKSA-N 1 1 318.442 3.678 10 0 DHAEMO CCCC[C@H]([NH2+]Cc1nnc(C)n1CC)c1ccc(OC)cc1 ZINC000182140325 521241880 /nfs/dbraw/zinc/24/18/80/521241880.db2.gz GUUYUNAPMJWZDH-KRWDZBQOSA-N 1 1 316.449 3.636 10 0 DHAEMO CC[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cccc(Cl)c1 ZINC000182584434 522899140 /nfs/dbraw/zinc/89/91/40/522899140.db2.gz ZDLIVVCKNJWEDB-CQSZACIVSA-N 1 1 304.825 3.587 10 0 DHAEMO CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000106177485 523100738 /nfs/dbraw/zinc/10/07/38/523100738.db2.gz TZSCKQHIZSMRLS-HKUYNNGSSA-N 1 1 312.461 3.758 10 0 DHAEMO Cc1cc(C)c(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000106074868 524260560 /nfs/dbraw/zinc/26/05/60/524260560.db2.gz WVXCXYHWFKXQBT-GOSISDBHSA-N 1 1 324.472 3.503 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)o1 ZINC000188998853 525929808 /nfs/dbraw/zinc/92/98/08/525929808.db2.gz UPMMZBVHTJTKIV-AWEZNQCLSA-N 1 1 313.376 3.823 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](CCOc3ccccc3Cl)C2)c1 ZINC000106224907 526266244 /nfs/dbraw/zinc/26/62/44/526266244.db2.gz HTWFCTFHSLFNQC-OAHLLOKOSA-N 1 1 319.836 3.561 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)c3nc4ccccc4o3)C2)c1 ZINC000181102016 526266731 /nfs/dbraw/zinc/26/67/31/526266731.db2.gz OZWVBSRIFRBAGV-LSDHHAIUSA-N 1 1 310.401 3.731 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+](CCSc3ccccc3F)C2)c1 ZINC000106224006 526267925 /nfs/dbraw/zinc/26/79/25/526267925.db2.gz DKLATAOJZOYZMA-HNNXBMFYSA-N 1 1 319.449 3.760 10 0 DHAEMO c1ccc(NC[C@H]2CC[N@@H+](Cc3ccc4ccccc4n3)C2)nc1 ZINC000124322473 526483168 /nfs/dbraw/zinc/48/31/68/526483168.db2.gz ZAEZXVWKUQASDP-MRXNPFEDSA-N 1 1 318.424 3.564 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000180187686 527189944 /nfs/dbraw/zinc/18/99/44/527189944.db2.gz DNFGYPYSEYULFS-CVEARBPZSA-N 1 1 316.836 3.816 10 0 DHAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000180124093 527441477 /nfs/dbraw/zinc/44/14/77/527441477.db2.gz KWWXDZRIUDGBNS-AWEZNQCLSA-N 1 1 307.800 3.649 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCc2c(c3cccc4c3n2CCC4)C1=O ZINC000000001149 560176495 /nfs/dbraw/zinc/17/64/95/560176495.db2.gz NCNFDKWULDWJDS-HNNXBMFYSA-N 1 1 319.408 3.538 10 0 in-vitro DHAEMO CCC(=O)N(C[C@@H](C)[N@@H+](C)CCc1ccccc1)c1ccccc1 ZINC000001850015 563796706 /nfs/dbraw/zinc/79/67/06/563796706.db2.gz RXTHKWVSXOIHJS-GOSISDBHSA-N 1 1 324.468 3.993 10 0 in-man DHAEMO Cc1nc(C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)n[nH]1 ZINC000075582558 563885039 /nfs/dbraw/zinc/88/50/39/563885039.db2.gz ZHFVDUZZRNVRLO-UHFFFAOYSA-N 1 1 324.350 3.512 10 0 DHAEMO Cc1nnc(C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)[nH]1 ZINC000075582558 563885042 /nfs/dbraw/zinc/88/50/42/563885042.db2.gz ZHFVDUZZRNVRLO-UHFFFAOYSA-N 1 1 324.350 3.512 10 0 DHAEMO Brc1ccsc1[C@@H]1[NH2+]CCc2sccc21 ZINC000397207398 568414978 /nfs/dbraw/zinc/41/49/78/568414978.db2.gz UZFCZRBXEFNXKR-SNVBAGLBSA-N 1 1 300.246 3.807 10 0 DHAEMO CC(C)(C)n1cc(C[N@H+]2CC=C(c3cccs3)CC2)cn1 ZINC000093533844 1032543140 /nfs/dbraw/zinc/54/31/40/1032543140.db2.gz XTUKGMZSQHVIDZ-UHFFFAOYSA-N 1 1 301.459 3.989 10 0 DHAEMO CC(C)(C)n1cc(C[N@@H+]2CC=C(c3cccs3)CC2)cn1 ZINC000093533844 1032543143 /nfs/dbraw/zinc/54/31/43/1032543143.db2.gz XTUKGMZSQHVIDZ-UHFFFAOYSA-N 1 1 301.459 3.989 10 0 DHAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000088559932 185257883 /nfs/dbraw/zinc/25/78/83/185257883.db2.gz PHIPLCSUYCYSCL-FZMZJTMJSA-N 1 1 304.825 3.680 10 0 DHAEMO CCC[C@@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccc(OC)cc1 ZINC000090225562 185287600 /nfs/dbraw/zinc/28/76/00/185287600.db2.gz FMXNZVFOLQKACM-IAGOWNOFSA-N 1 1 314.433 3.561 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3F)C2)no1 ZINC000092814148 185343366 /nfs/dbraw/zinc/34/33/66/185343366.db2.gz XRDRDYSKLBONJL-LBPRGKRZSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3F)C2)no1 ZINC000092814148 185343367 /nfs/dbraw/zinc/34/33/67/185343367.db2.gz XRDRDYSKLBONJL-LBPRGKRZSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3F)C2)no1 ZINC000092814267 185343252 /nfs/dbraw/zinc/34/32/52/185343252.db2.gz BESONSBSFZHXCC-LBPRGKRZSA-N 1 1 323.799 3.625 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3F)C2)no1 ZINC000092814267 185343253 /nfs/dbraw/zinc/34/32/53/185343253.db2.gz BESONSBSFZHXCC-LBPRGKRZSA-N 1 1 323.799 3.625 10 0 DHAEMO [NH3+][C@H]1c2cc(Cl)ccc2N(Cc2ccccc2Cl)C1=O ZINC000139548334 186022922 /nfs/dbraw/zinc/02/29/22/186022922.db2.gz KPRUCLVOTGICGK-AWEZNQCLSA-N 1 1 307.180 3.540 10 0 DHAEMO C[N@H+](CCc1ccccc1)CC[C@H](O)c1ccc(Cl)cc1 ZINC000002017626 180906274 /nfs/dbraw/zinc/90/62/74/180906274.db2.gz WRNSAGBRCPXKTH-SFHVURJKSA-N 1 1 303.833 3.938 10 0 DHAEMO CCCN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CC(C)C)C[C@@H]1C ZINC000073654298 191337360 /nfs/dbraw/zinc/33/73/60/191337360.db2.gz KJJWJAXSBXZGCI-HOTGVXAUSA-N 1 1 312.498 4.000 10 0 DHAEMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000076034686 191557642 /nfs/dbraw/zinc/55/76/42/191557642.db2.gz CWTFJOJRBZMBAT-XJKSGUPXSA-N 1 1 312.417 3.585 10 0 DHAEMO Cc1cc([C@@H](CCC(C)C)n2nnc3ccccc32)c[nH+]c1N ZINC000005379293 181236644 /nfs/dbraw/zinc/23/66/44/181236644.db2.gz WDJBYOWRWTYKEO-MRXNPFEDSA-N 1 1 309.417 3.743 10 0 DHAEMO CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000093438357 193251772 /nfs/dbraw/zinc/25/17/72/193251772.db2.gz QSBGJNZJHPTEME-CQSZACIVSA-N 1 1 304.463 3.891 10 0 DHAEMO CC(C)(C)c1ncc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000093438357 193251774 /nfs/dbraw/zinc/25/17/74/193251774.db2.gz QSBGJNZJHPTEME-CQSZACIVSA-N 1 1 304.463 3.891 10 0 DHAEMO CCCCN1C(=O)CC[C@@H]2C[N@H+](Cc3ccccc3C)CC[C@@H]21 ZINC000020293543 182203289 /nfs/dbraw/zinc/20/32/89/182203289.db2.gz XUTOANPQKLQELI-MOPGFXCFSA-N 1 1 314.473 3.608 10 0 DHAEMO CC(C)CNC(=O)c1ccc([C@H]2CCC[N@H+]2CC(C)C)s1 ZINC000023506952 182362128 /nfs/dbraw/zinc/36/21/28/182362128.db2.gz NLUGFMMFXXKKMG-CQSZACIVSA-N 1 1 308.491 3.927 10 0 DHAEMO Nc1c(NCc2ccccc2)nc[nH+]c1NC1CCCCCC1 ZINC000040709375 183120872 /nfs/dbraw/zinc/12/08/72/183120872.db2.gz PTLAEHSREMARSP-UHFFFAOYSA-N 1 1 311.433 3.806 10 0 DHAEMO Nc1c(NC2CCCCCC2)nc[nH+]c1NCc1ccccc1 ZINC000040709375 183120873 /nfs/dbraw/zinc/12/08/73/183120873.db2.gz PTLAEHSREMARSP-UHFFFAOYSA-N 1 1 311.433 3.806 10 0 DHAEMO Nc1c(NCc2ccc(Cl)cc2)nc[nH+]c1NC1CCCC1 ZINC000040784075 183133663 /nfs/dbraw/zinc/13/36/63/183133663.db2.gz JMAVYOMQTJXKDT-UHFFFAOYSA-N 1 1 317.824 3.679 10 0 DHAEMO Nc1c(NC2CCCC2)nc[nH+]c1NCc1ccc(Cl)cc1 ZINC000040784075 183133666 /nfs/dbraw/zinc/13/36/66/183133666.db2.gz JMAVYOMQTJXKDT-UHFFFAOYSA-N 1 1 317.824 3.679 10 0 DHAEMO CC(C)C[C@H](C)[N@@H+](C)[C@@H](CN)c1ccc(Br)cc1 ZINC000042563431 183285484 /nfs/dbraw/zinc/28/54/84/183285484.db2.gz DMDDLJGPXFBGDP-WFASDCNBSA-N 1 1 313.283 3.815 10 0 DHAEMO CC(C)C[C@H](C)N(C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042563431 183285487 /nfs/dbraw/zinc/28/54/87/183285487.db2.gz DMDDLJGPXFBGDP-WFASDCNBSA-N 1 1 313.283 3.815 10 0 DHAEMO CC(C)[N@@H+](CC1CC1)[C@H](CN)c1cc(Br)cs1 ZINC000042580569 183287052 /nfs/dbraw/zinc/28/70/52/183287052.db2.gz VTZZNOBIPYELMD-GFCCVEGCSA-N 1 1 317.296 3.631 10 0 DHAEMO CC(C)N(CC1CC1)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000042580569 183287053 /nfs/dbraw/zinc/28/70/53/183287053.db2.gz VTZZNOBIPYELMD-GFCCVEGCSA-N 1 1 317.296 3.631 10 0 DHAEMO C[C@H](C[NH+]1CCCC1)N[C@H](C)c1cccc(Br)c1 ZINC000042597312 183289511 /nfs/dbraw/zinc/28/95/11/183289511.db2.gz VNMNZPXISAUVLZ-CHWSQXEVSA-N 1 1 311.267 3.584 10 0 DHAEMO CCCN(CCC)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952088 183320410 /nfs/dbraw/zinc/32/04/10/183320410.db2.gz ZYZOVBFLMSKELB-DOMZBBRYSA-N 1 1 313.283 3.959 10 0 DHAEMO CCCCC[N@H+](C)[C@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952963 183321850 /nfs/dbraw/zinc/32/18/50/183321850.db2.gz HKJRCEKGSWNLEL-DOMZBBRYSA-N 1 1 313.283 3.959 10 0 DHAEMO CCCCC[N@@H+](C)[C@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042952963 183321853 /nfs/dbraw/zinc/32/18/53/183321853.db2.gz HKJRCEKGSWNLEL-DOMZBBRYSA-N 1 1 313.283 3.959 10 0 DHAEMO CC(C)(C)c1ccccc1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000104974907 194060028 /nfs/dbraw/zinc/06/00/28/194060028.db2.gz AECOQICAFMZDKM-HNNXBMFYSA-N 1 1 315.461 3.686 10 0 DHAEMO CC(C)c1ccccc1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000104972843 194060217 /nfs/dbraw/zinc/06/02/17/194060217.db2.gz PBXHKYGPUPOZIC-HNNXBMFYSA-N 1 1 301.434 3.512 10 0 DHAEMO CC(C)[N@@H+](CCOc1ccc(Br)cc1)CC1CC1 ZINC000047861647 183606638 /nfs/dbraw/zinc/60/66/38/183606638.db2.gz UYIUPQAYQTVJCH-UHFFFAOYSA-N 1 1 312.251 3.948 10 0 DHAEMO COCC[N@H+](Cc1nc(Cl)ccc1Cl)[C@@H](C)C1CC1 ZINC000061631185 184179562 /nfs/dbraw/zinc/17/95/62/184179562.db2.gz LOPVEHPQJIVZIT-JTQLQIEISA-N 1 1 303.233 3.635 10 0 DHAEMO COCC[N@@H+](Cc1nc(Cl)ccc1Cl)[C@@H](C)C1CC1 ZINC000061631185 184179565 /nfs/dbraw/zinc/17/95/65/184179565.db2.gz LOPVEHPQJIVZIT-JTQLQIEISA-N 1 1 303.233 3.635 10 0 DHAEMO c1ccc(-c2cccc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)c2)nc1 ZINC000091979152 332098906 /nfs/dbraw/zinc/09/89/06/332098906.db2.gz QGMVBKDPWOJTTI-VQTJNVASSA-N 1 1 308.425 3.892 10 0 DHAEMO CC(C)(C)c1nc(C[NH+]2CCC(Cn3cccn3)CC2)cs1 ZINC000105887049 332255110 /nfs/dbraw/zinc/25/51/10/332255110.db2.gz SDLRSZFENFLNGT-UHFFFAOYSA-N 1 1 318.490 3.549 10 0 DHAEMO c1ncn([C@@H]2CCC[N@H+](CC3CCC(c4ccccc4)CC3)C2)n1 ZINC000189013619 333060725 /nfs/dbraw/zinc/06/07/25/333060725.db2.gz HSUWFJBDNYQTGM-LYBXBRPPSA-N 1 1 324.472 3.889 10 0 DHAEMO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC000228487964 333387134 /nfs/dbraw/zinc/38/71/34/333387134.db2.gz DCSJXQVQORQPFF-HYVNUMGLSA-N 1 1 311.828 3.995 10 0 DHAEMO CC(C)(C[C@H]1CCC[N@H+]([C@@H]2CCOC3(CCC3)C2)C1)C(N)=O ZINC000333288504 336201133 /nfs/dbraw/zinc/20/11/33/336201133.db2.gz ZOJWVRZYTUHUOP-HUUCEWRRSA-N 1 1 308.466 3.752 10 0 DHAEMO Clc1ccc2c(c1)nccc2N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000301224409 336295520 /nfs/dbraw/zinc/29/55/20/336295520.db2.gz FJAZTGIEGYDDJN-CQSZACIVSA-N 1 1 301.821 3.563 10 0 DHAEMO COc1ccc([C@@H]2[C@@H](CNc3ccccn3)CCC[N@H+]2C)cc1 ZINC000301275730 336298283 /nfs/dbraw/zinc/29/82/83/336298283.db2.gz ISSXUZWLDQAEBR-VQIMIIECSA-N 1 1 311.429 3.585 10 0 DHAEMO Cc1cncc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000193056078 336305044 /nfs/dbraw/zinc/30/50/44/336305044.db2.gz UVPMGORQZGMBOI-SEJPIABJSA-N 1 1 321.468 3.675 10 0 DHAEMO CCS[C@@H]1CC[C@@]1(O)CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000301491472 336310150 /nfs/dbraw/zinc/31/01/50/336310150.db2.gz NNZDOOJCSOFNPQ-HZPDHXFCSA-N 1 1 322.861 3.947 10 0 DHAEMO COc1cccc2c(NCCc3ncc(C)s3)cc(C)[nH+]c12 ZINC000301650304 336320734 /nfs/dbraw/zinc/32/07/34/336320734.db2.gz FXERPGPCQMCDRQ-UHFFFAOYSA-N 1 1 313.426 3.971 10 0 DHAEMO CCC[N@@H+]1CCCN(c2cc(C)nc3ccc(F)cc32)CC1 ZINC000301652282 336320878 /nfs/dbraw/zinc/32/08/78/336320878.db2.gz GRLCAHVVBVDFRS-UHFFFAOYSA-N 1 1 301.409 3.604 10 0 DHAEMO CCC[N@H+]1CCCN(c2cc(C)nc3ccc(F)cc32)CC1 ZINC000301652282 336320879 /nfs/dbraw/zinc/32/08/79/336320879.db2.gz GRLCAHVVBVDFRS-UHFFFAOYSA-N 1 1 301.409 3.604 10 0 DHAEMO Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)c2ccccc2[nH+]1 ZINC000301779759 336329271 /nfs/dbraw/zinc/32/92/71/336329271.db2.gz MROGQAIYGWQJLZ-MRXNPFEDSA-N 1 1 309.457 3.996 10 0 DHAEMO OCCN(Cc1ccsc1)c1cc[nH+]c2ccc(Cl)cc21 ZINC000301825401 336332649 /nfs/dbraw/zinc/33/26/49/336332649.db2.gz DRZQZQIINHXQMA-UHFFFAOYSA-N 1 1 318.829 3.949 10 0 DHAEMO C[C@@H](Nc1[nH]c2ccccc2[nH+]1)c1cccc(-n2ccnc2)c1 ZINC000301872542 336335403 /nfs/dbraw/zinc/33/54/03/336335403.db2.gz JERGLLDIZJZAPT-CYBMUJFWSA-N 1 1 303.369 3.922 10 0 DHAEMO CCc1cc(N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)nc(C)[nH+]1 ZINC000302053705 336345777 /nfs/dbraw/zinc/34/57/77/336345777.db2.gz PJYKTBCKNILNDS-CJNGLKHVSA-N 1 1 311.429 3.738 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@@H+](CCc3ccccc3Cl)C2)no1 ZINC000171403142 337087182 /nfs/dbraw/zinc/08/71/82/337087182.db2.gz KLZACJPEZAHJRW-AWEZNQCLSA-N 1 1 319.836 3.529 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3ccn(C(C)C)n3)C2)n1 ZINC000172013184 337090883 /nfs/dbraw/zinc/09/08/83/337090883.db2.gz NRMZOUOTJLCQGS-CQSZACIVSA-N 1 1 304.463 3.609 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@H+](Cc3ccn(C(C)C)n3)C2)n1 ZINC000172013184 337090884 /nfs/dbraw/zinc/09/08/84/337090884.db2.gz NRMZOUOTJLCQGS-CQSZACIVSA-N 1 1 304.463 3.609 10 0 DHAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C)c(F)c2)o1 ZINC000172593994 337130202 /nfs/dbraw/zinc/13/02/02/337130202.db2.gz JTBRKYHTKMWNKD-CHWSQXEVSA-N 1 1 304.365 3.713 10 0 DHAEMO CSc1ccc([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1 ZINC000173452562 337135292 /nfs/dbraw/zinc/13/52/92/337135292.db2.gz ZPBNVIBNKLYWLU-QWHCGFSZSA-N 1 1 316.474 3.748 10 0 DHAEMO CSc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000173452534 337135330 /nfs/dbraw/zinc/13/53/30/337135330.db2.gz ZPBNVIBNKLYWLU-STQMWFEESA-N 1 1 316.474 3.748 10 0 DHAEMO CN(C)c1ccccc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000173602074 337136753 /nfs/dbraw/zinc/13/67/53/337136753.db2.gz NVYCGXQQNYPXJM-MRXNPFEDSA-N 1 1 301.459 3.936 10 0 DHAEMO CN(C)c1ccccc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000173602074 337136754 /nfs/dbraw/zinc/13/67/54/337136754.db2.gz NVYCGXQQNYPXJM-MRXNPFEDSA-N 1 1 301.459 3.936 10 0 DHAEMO COc1cccc([C@H](C)[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000175652718 337146921 /nfs/dbraw/zinc/14/69/21/337146921.db2.gz YGFDPNIAEJFCQD-KSSFIOAISA-N 1 1 313.445 3.944 10 0 DHAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(SC(C)C)cc1 ZINC000177028614 337152810 /nfs/dbraw/zinc/15/28/10/337152810.db2.gz RNFFONCOMKJLQA-INIZCTEOSA-N 1 1 320.502 3.743 10 0 DHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C ZINC000180119802 337171426 /nfs/dbraw/zinc/17/14/26/337171426.db2.gz FOSPXIKOBKYKTB-KRWDZBQOSA-N 1 1 301.409 3.822 10 0 DHAEMO CC(C)c1cnc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)s1 ZINC000183035652 337191120 /nfs/dbraw/zinc/19/11/20/337191120.db2.gz YUHWCZPERSCGEU-CQSZACIVSA-N 1 1 316.474 3.596 10 0 DHAEMO Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183988307 337194320 /nfs/dbraw/zinc/19/43/20/337194320.db2.gz LPFMCEWTPVAGFH-GDBMZVCRSA-N 1 1 305.466 3.550 10 0 DHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2(CC)CCCCC2)C1 ZINC000184118103 337196425 /nfs/dbraw/zinc/19/64/25/337196425.db2.gz GKNFRMJCDHUTGP-MRXNPFEDSA-N 1 1 317.477 3.970 10 0 DHAEMO Cc1oc2ccccc2c1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000185779885 337251226 /nfs/dbraw/zinc/25/12/26/337251226.db2.gz RHWORBPSTJPJNQ-OAHLLOKOSA-N 1 1 323.396 3.551 10 0 DHAEMO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCS[C@H](C)C1 ZINC000186933989 337260558 /nfs/dbraw/zinc/26/05/58/337260558.db2.gz NLUUCYXKTYLNRF-CQSZACIVSA-N 1 1 314.454 3.695 10 0 DHAEMO Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)c(C)n1 ZINC000187101382 337262463 /nfs/dbraw/zinc/26/24/63/337262463.db2.gz CWLANMABWIKAPY-PMACEKPBSA-N 1 1 310.441 3.787 10 0 DHAEMO FC(F)(F)C(F)(F)COCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000189332899 337278682 /nfs/dbraw/zinc/27/86/82/337278682.db2.gz JDIJKJZOJNMQIX-SNVBAGLBSA-N 1 1 313.266 3.631 10 0 DHAEMO CC(C)c1cnc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000190283783 337286466 /nfs/dbraw/zinc/28/64/66/337286466.db2.gz STKOKQAHYXIYKG-KBPBESRZSA-N 1 1 322.499 3.536 10 0 DHAEMO Cn1c(C[N@H+]2CCCC3(CCCCC3)CC2)nnc1C1CC1 ZINC000190316426 337286586 /nfs/dbraw/zinc/28/65/86/337286586.db2.gz QCNCGFDYCMMJEP-UHFFFAOYSA-N 1 1 302.466 3.629 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCC2=CCCCC2)o1 ZINC000193113952 337308282 /nfs/dbraw/zinc/30/82/82/337308282.db2.gz DRPQQZXZJMJSSD-LSDHHAIUSA-N 1 1 304.434 3.634 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000193114402 337308316 /nfs/dbraw/zinc/30/83/16/337308316.db2.gz OVNNVEOIMRQPAB-AFHWFKKNSA-N 1 1 306.450 3.568 10 0 DHAEMO c1n[nH]cc1[C@H]1CCCC[N@@H+]1CCCc1ccc2c(c1)CCO2 ZINC000193250981 337309532 /nfs/dbraw/zinc/30/95/32/337309532.db2.gz DVVNZUIFJSUITD-GOSISDBHSA-N 1 1 311.429 3.504 10 0 DHAEMO CN1CCc2c1ccc1c2C[N@@H+](C)C[C@H]1c1cc(F)cc(F)c1 ZINC000584662273 337378471 /nfs/dbraw/zinc/37/84/71/337378471.db2.gz WMKWOTNPFLAFPU-KRWDZBQOSA-N 1 1 314.379 3.534 10 0 DHAEMO CC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000584637153 337379386 /nfs/dbraw/zinc/37/93/86/337379386.db2.gz YGJDNTHRMJACHN-WOJBJXKFSA-N 1 1 309.409 3.564 10 0 DHAEMO c1coc(-c2noc(C[N@@H+]3CCC[C@H]3c3cccs3)n2)c1 ZINC000029962647 337389891 /nfs/dbraw/zinc/38/98/91/337389891.db2.gz ABRRNGDYQRIHIB-NSHDSACASA-N 1 1 301.371 3.728 10 0 DHAEMO c1coc(-c2noc(C[N@H+]3CCC[C@H]3c3cccs3)n2)c1 ZINC000029962647 337389892 /nfs/dbraw/zinc/38/98/92/337389892.db2.gz ABRRNGDYQRIHIB-NSHDSACASA-N 1 1 301.371 3.728 10 0 DHAEMO CC/C=C\CC[N@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000434494712 338218579 /nfs/dbraw/zinc/21/85/79/338218579.db2.gz PSNXFWTZJZEXFI-KJPDOMRESA-N 1 1 307.507 3.562 10 0 DHAEMO CC(C)NC(=O)CC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000133841740 341193260 /nfs/dbraw/zinc/19/32/60/341193260.db2.gz LBANXYDHJHNLHT-VIFPVBQESA-N 1 1 321.223 3.698 10 0 DHAEMO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000134867511 341225610 /nfs/dbraw/zinc/22/56/10/341225610.db2.gz CKOXRJUMXOYZMZ-MRXNPFEDSA-N 1 1 311.441 3.602 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000245471603 341296134 /nfs/dbraw/zinc/29/61/34/341296134.db2.gz OCTKNSWDEBSWCQ-NVXWUHKLSA-N 1 1 313.445 3.819 10 0 DHAEMO CCC[C@H](C[N@H+]1CCC[C@@H](Cn2cncn2)C1)c1ccccc1 ZINC000245913235 341318097 /nfs/dbraw/zinc/31/80/97/341318097.db2.gz VYEOEYNDWZBLLF-IEBWSBKVSA-N 1 1 312.461 3.574 10 0 DHAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[C@@H](C)c1ccccc1 ZINC000246257063 341338636 /nfs/dbraw/zinc/33/86/36/341338636.db2.gz KHFUVHZSUZFIKQ-QRQLOZEOSA-N 1 1 314.473 3.656 10 0 DHAEMO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246377270 341345692 /nfs/dbraw/zinc/34/56/92/341345692.db2.gz OKEYFYGQQAMJIX-HOCLYGCPSA-N 1 1 304.434 3.596 10 0 DHAEMO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccncc1 ZINC000248411298 341376904 /nfs/dbraw/zinc/37/69/04/341376904.db2.gz IAGIPILRKZJYBB-NASSWSRMSA-N 1 1 321.468 3.643 10 0 DHAEMO C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccncc1 ZINC000248411298 341376905 /nfs/dbraw/zinc/37/69/05/341376905.db2.gz IAGIPILRKZJYBB-NASSWSRMSA-N 1 1 321.468 3.643 10 0 DHAEMO C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccncc1 ZINC000248411298 341376906 /nfs/dbraw/zinc/37/69/06/341376906.db2.gz IAGIPILRKZJYBB-NASSWSRMSA-N 1 1 321.468 3.643 10 0 DHAEMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000248628495 341382211 /nfs/dbraw/zinc/38/22/11/341382211.db2.gz ZITIWCPPVYYTBQ-IKGGRYGDSA-N 1 1 308.510 3.639 10 0 DHAEMO CCCC1CCC(C[N@H+]2C[C@@H](OC)C[C@H]2c2nc(C)no2)CC1 ZINC000248959111 341390840 /nfs/dbraw/zinc/39/08/40/341390840.db2.gz MCQQQWBFPPQBLT-GQGLESIBSA-N 1 1 321.465 3.746 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@H+](C[C@H]3C(C)=CCC[C@@H]3C)C2)no1 ZINC000249098874 341393842 /nfs/dbraw/zinc/39/38/42/341393842.db2.gz PASHNUDHHNFUIK-UAGQMJEPSA-N 1 1 303.450 3.625 10 0 DHAEMO CCc1cc(N[C@@H](C)c2ccc(OC)c(OC)c2)nc(C)[nH+]1 ZINC000272845154 341630828 /nfs/dbraw/zinc/63/08/28/341630828.db2.gz JKJVWTHUSUNDDR-NSHDSACASA-N 1 1 301.390 3.538 10 0 DHAEMO CCCc1nc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cs1 ZINC000181721837 521514291 /nfs/dbraw/zinc/51/42/91/521514291.db2.gz BBWDKJHSTFACJY-LBPRGKRZSA-N 1 1 318.442 3.718 10 0 DHAEMO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000154562638 523090793 /nfs/dbraw/zinc/09/07/93/523090793.db2.gz SZICQUGAVBFSMX-RDJZCZTQSA-N 1 1 316.424 3.768 10 0 DHAEMO CCn1cc([C@H]2C[N@@H+](Cc3cccc4ccccc43)CCO2)cn1 ZINC000191699617 523482211 /nfs/dbraw/zinc/48/22/11/523482211.db2.gz PEJZAEWWCLYYLJ-HXUWFJFHSA-N 1 1 321.424 3.630 10 0 DHAEMO Cc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000177093974 524236243 /nfs/dbraw/zinc/23/62/43/524236243.db2.gz AXABFMSDQITZOT-HOTGVXAUSA-N 1 1 315.461 3.819 10 0 DHAEMO Cc1cc(C)c(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000106074869 524260148 /nfs/dbraw/zinc/26/01/48/524260148.db2.gz WVXCXYHWFKXQBT-SFHVURJKSA-N 1 1 324.472 3.503 10 0 DHAEMO Cc1c([C@@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)cnn1C(C)C ZINC000191136267 525903755 /nfs/dbraw/zinc/90/37/55/525903755.db2.gz JFULKQHKDXVLCR-DNVCBOLYSA-N 1 1 314.477 3.726 10 0 DHAEMO COc1cccc(C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)c1 ZINC000157797309 525941143 /nfs/dbraw/zinc/94/11/43/525941143.db2.gz ADBJZWCFOLBRBG-HNNXBMFYSA-N 1 1 302.443 3.840 10 0 DHAEMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4cccnc4)C3)nc2c1 ZINC000130843880 526106511 /nfs/dbraw/zinc/10/65/11/526106511.db2.gz BUAQYALECNMDLC-INIZCTEOSA-N 1 1 306.413 3.646 10 0 DHAEMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4cccnc4)C3)[nH]c2c1 ZINC000130843880 526106519 /nfs/dbraw/zinc/10/65/19/526106519.db2.gz BUAQYALECNMDLC-INIZCTEOSA-N 1 1 306.413 3.646 10 0 DHAEMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)[nH]c2c1 ZINC000130843880 526106529 /nfs/dbraw/zinc/10/65/29/526106529.db2.gz BUAQYALECNMDLC-INIZCTEOSA-N 1 1 306.413 3.646 10 0 DHAEMO Cn1cc([C@@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)C2)cn1 ZINC000172016484 527300671 /nfs/dbraw/zinc/30/06/71/527300671.db2.gz KBJIRRYRWWNHNR-GFCCVEGCSA-N 1 1 312.804 3.616 10 0 DHAEMO Cn1cc([C@H]2CC[N@@H+](CCCSCc3ccccc3)C2)cn1 ZINC000132084542 527319504 /nfs/dbraw/zinc/31/95/04/527319504.db2.gz QNJIVDCPXXIRIK-KRWDZBQOSA-N 1 1 315.486 3.533 10 0 DHAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)C[C@H]1NC(=O)OC(C)(C)C ZINC000068592708 563495054 /nfs/dbraw/zinc/49/50/54/563495054.db2.gz PQHYEHZEEAWEJB-BFYDXBDKSA-N 1 1 318.461 3.810 10 0 DHAEMO CC[C@@H](O)C[N@@H+](Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000036101980 563893606 /nfs/dbraw/zinc/89/36/06/563893606.db2.gz FLTKBGUGRVNNJA-LJQANCHMSA-N 1 1 301.405 3.907 10 0 DHAEMO c1ccc2[nH]c(SC[C@H]3CCC[N@H+]4CCCC[C@H]34)nc2c1 ZINC000008775435 563927573 /nfs/dbraw/zinc/92/75/73/563927573.db2.gz AVHMUPJYYXTAQW-CZUORRHYSA-N 1 1 301.459 3.920 10 0 DHAEMO Cc1cccc(N2CCC(NC(=O)C(C)(C)CC(C)C)CC2)[nH+]1 ZINC000084547183 1032207211 /nfs/dbraw/zinc/20/72/11/1032207211.db2.gz MVTDFSAMIPXKFY-UHFFFAOYSA-N 1 1 317.477 3.547 10 0 DHAEMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cc[nH]c1 ZINC000092402896 1032492075 /nfs/dbraw/zinc/49/20/75/1032492075.db2.gz NMTDJLZSGQZJEY-UHFFFAOYSA-N 1 1 312.392 3.609 10 0 DHAEMO c1cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c[nH]1 ZINC000093387235 1032535702 /nfs/dbraw/zinc/53/57/02/1032535702.db2.gz FAVOGNGVOHJIKQ-QGZVFWFLSA-N 1 1 306.413 3.784 10 0 DHAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000088559867 185257899 /nfs/dbraw/zinc/25/78/99/185257899.db2.gz VBZJKJSACLHKHI-FZMZJTMJSA-N 1 1 304.825 3.680 10 0 DHAEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000090224012 185287461 /nfs/dbraw/zinc/28/74/61/185287461.db2.gz DJFSUSPQYCNPDY-QMTHXVAHSA-N 1 1 324.350 3.791 10 0 DHAEMO O=C1CC[N@H+](CCc2ccccc2)C[C@@H]1CCc1ccccc1 ZINC000090659450 185308249 /nfs/dbraw/zinc/30/82/49/185308249.db2.gz MCJHCPCZIBZRPH-FQEVSTJZSA-N 1 1 307.437 3.753 10 0 DHAEMO O=C1CC[N@@H+](CCc2ccccc2)C[C@@H]1CCc1ccccc1 ZINC000090659450 185308250 /nfs/dbraw/zinc/30/82/50/185308250.db2.gz MCJHCPCZIBZRPH-FQEVSTJZSA-N 1 1 307.437 3.753 10 0 DHAEMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c(C)c1 ZINC000092812081 185343559 /nfs/dbraw/zinc/34/35/59/185343559.db2.gz ZEYPLYGQDLFJMH-GOSISDBHSA-N 1 1 324.472 3.958 10 0 DHAEMO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c(C)c1 ZINC000092812081 185343560 /nfs/dbraw/zinc/34/35/60/185343560.db2.gz ZEYPLYGQDLFJMH-GOSISDBHSA-N 1 1 324.472 3.958 10 0 DHAEMO CCN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000073652503 191336266 /nfs/dbraw/zinc/33/62/66/191336266.db2.gz IORQQMAGEAZMSR-KRWDZBQOSA-N 1 1 318.461 3.908 10 0 DHAEMO C[C@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000091691357 193092486 /nfs/dbraw/zinc/09/24/86/193092486.db2.gz ISSWHZVIBCCHQF-RTBURBONSA-N 1 1 315.844 3.938 10 0 DHAEMO Cc1nc(N(C)C)sc1C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000093453581 193254224 /nfs/dbraw/zinc/25/42/24/193254224.db2.gz TVXVCYFRLZXXEF-HNNXBMFYSA-N 1 1 316.474 3.558 10 0 DHAEMO C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccco1 ZINC000007800010 181498292 /nfs/dbraw/zinc/49/82/92/181498292.db2.gz SZUDVJBPGXYISH-VIFPVBQESA-N 1 1 313.184 3.876 10 0 DHAEMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1N)C1CCCCC1 ZINC000020021230 182179910 /nfs/dbraw/zinc/17/99/10/182179910.db2.gz DYCDYYJSEOMUMP-UHFFFAOYSA-N 1 1 309.841 3.515 10 0 DHAEMO CC(C)(C)Nc1nc[nH+]c(NCc2ccccc2Cl)c1N ZINC000040680733 183117393 /nfs/dbraw/zinc/11/73/93/183117393.db2.gz YCFOMKUKPYBCPY-UHFFFAOYSA-N 1 1 305.813 3.535 10 0 DHAEMO CC(C)(C)Nc1[nH+]cnc(NCc2ccccc2Cl)c1N ZINC000040680733 183117395 /nfs/dbraw/zinc/11/73/95/183117395.db2.gz YCFOMKUKPYBCPY-UHFFFAOYSA-N 1 1 305.813 3.535 10 0 DHAEMO CCCO[C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000042424676 183268578 /nfs/dbraw/zinc/26/85/78/183268578.db2.gz QWWBETNPVIPBCF-HNNXBMFYSA-N 1 1 312.251 3.840 10 0 DHAEMO CCCO[C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000042424676 183268579 /nfs/dbraw/zinc/26/85/79/183268579.db2.gz QWWBETNPVIPBCF-HNNXBMFYSA-N 1 1 312.251 3.840 10 0 DHAEMO CC(C)C[N@@H+](C(C)C)[C@H](CN)c1cccc(Br)c1 ZINC000042579572 183286675 /nfs/dbraw/zinc/28/66/75/183286675.db2.gz BGRGUSKRCFMCDK-OAHLLOKOSA-N 1 1 313.283 3.815 10 0 DHAEMO CC(C)C[C@H](C)[N@H+](C)CC(=O)c1cccc(Br)c1 ZINC000042586890 183288120 /nfs/dbraw/zinc/28/81/20/183288120.db2.gz PGKYVAZBBNTBIL-LBPRGKRZSA-N 1 1 312.251 3.998 10 0 DHAEMO CC(C)C[C@H](C)[N@@H+](C)CC(=O)c1cccc(Br)c1 ZINC000042586890 183288123 /nfs/dbraw/zinc/28/81/23/183288123.db2.gz PGKYVAZBBNTBIL-LBPRGKRZSA-N 1 1 312.251 3.998 10 0 DHAEMO CC[C@@H](N)[C@@H](c1ccc(Br)cc1)[N@H+](CC)C1CC1 ZINC000042952774 183322030 /nfs/dbraw/zinc/32/20/30/183322030.db2.gz CENHFVVZCLPKTI-HUUCEWRRSA-N 1 1 311.267 3.712 10 0 DHAEMO CC[C@@H](N)[C@@H](c1ccc(Br)cc1)[N@@H+](CC)C1CC1 ZINC000042952774 183322032 /nfs/dbraw/zinc/32/20/32/183322032.db2.gz CENHFVVZCLPKTI-HUUCEWRRSA-N 1 1 311.267 3.712 10 0 DHAEMO C[C@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](C)C1CCCC1 ZINC000043020333 183328369 /nfs/dbraw/zinc/32/83/69/183328369.db2.gz LUUVWZFOCVTCHI-NHYWBVRUSA-N 1 1 311.267 3.712 10 0 DHAEMO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)C1CCCC1 ZINC000043020333 183328370 /nfs/dbraw/zinc/32/83/70/183328370.db2.gz LUUVWZFOCVTCHI-NHYWBVRUSA-N 1 1 311.267 3.712 10 0 DHAEMO c1cnn(CCCCC[N@H+]2CCCC[C@H]2c2nccs2)c1 ZINC000104681060 194026957 /nfs/dbraw/zinc/02/69/57/194026957.db2.gz MTQUXMBHDMPPSD-HNNXBMFYSA-N 1 1 304.463 3.737 10 0 DHAEMO CCCCc1nc(C[NH+]2CCC(Cn3cccn3)CC2)cs1 ZINC000106182369 194189117 /nfs/dbraw/zinc/18/91/17/194189117.db2.gz KCWNYMLDRVMONL-UHFFFAOYSA-N 1 1 318.490 3.594 10 0 DHAEMO C[N@H+]1CC[C@@H](Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000061985117 184199504 /nfs/dbraw/zinc/19/95/04/184199504.db2.gz KCXUQGHLLUTNRF-SECBINFHSA-N 1 1 323.156 3.584 10 0 DHAEMO Brc1ccc([C@H]2C[NH2+][C@H](c3ccccc3)CO2)s1 ZINC000063003340 184265946 /nfs/dbraw/zinc/26/59/46/184265946.db2.gz XHHXKYCCPBJYOZ-NWDGAFQWSA-N 1 1 324.243 3.913 10 0 DHAEMO c1sc([C@@H]2C[C@H]3CC[N@H+](CC4CC4)C[C@H]3O2)nc1C1CC1 ZINC000503719546 257209020 /nfs/dbraw/zinc/20/90/20/257209020.db2.gz NGOCNTWOTYVHMW-VNQPRFMTSA-N 1 1 304.459 3.582 10 0 DHAEMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000092708252 332139546 /nfs/dbraw/zinc/13/95/46/332139546.db2.gz JFYPUFCJVFDQGK-OAHLLOKOSA-N 1 1 316.470 3.782 10 0 DHAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CC1CCCCCC1 ZINC000177723548 333131867 /nfs/dbraw/zinc/13/18/67/333131867.db2.gz GEHVJXFIEGEMBQ-KRWDZBQOSA-N 1 1 303.450 3.543 10 0 DHAEMO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC000228487978 333387117 /nfs/dbraw/zinc/38/71/17/333387117.db2.gz DCSJXQVQORQPFF-BHYGNILZSA-N 1 1 311.828 3.995 10 0 DHAEMO Cc1cncc(-c2nc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)no2)c1 ZINC000333560362 336205509 /nfs/dbraw/zinc/20/55/09/336205509.db2.gz NZTWNJJKTCXODM-GDBMZVCRSA-N 1 1 312.417 3.595 10 0 DHAEMO COc1cccc2c(N(C)Cc3nc(C)cs3)cc(C)[nH+]c12 ZINC000301638198 336319903 /nfs/dbraw/zinc/31/99/03/336319903.db2.gz ANHOWAMBCLMWNA-UHFFFAOYSA-N 1 1 313.426 3.953 10 0 DHAEMO Cc1cc2c(ncnc2NCCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000301875568 336335637 /nfs/dbraw/zinc/33/56/37/336335637.db2.gz MKRKAYAHVJXWEE-GFCCVEGCSA-N 1 1 304.463 3.534 10 0 DHAEMO CC(C)c1nc(N2CCC[N@H+](C3CC3)CC2)cc(C(C)(C)C)n1 ZINC000302916919 336374326 /nfs/dbraw/zinc/37/43/26/336374326.db2.gz WKPIIBLAOFAGNM-UHFFFAOYSA-N 1 1 316.493 3.572 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3F)C2)c1 ZINC000123065797 337035086 /nfs/dbraw/zinc/03/50/86/337035086.db2.gz WFVVOUGPRFDAPA-OAHLLOKOSA-N 1 1 307.800 3.821 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3F)C2)c1 ZINC000123065797 337035087 /nfs/dbraw/zinc/03/50/87/337035087.db2.gz WFVVOUGPRFDAPA-OAHLLOKOSA-N 1 1 307.800 3.821 10 0 DHAEMO C[C@H](CC[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000193893509 337079828 /nfs/dbraw/zinc/07/98/28/337079828.db2.gz GJHUOVQFGLDINY-IEBWSBKVSA-N 1 1 324.472 3.571 10 0 DHAEMO C[C@@](O)(C[NH2+][C@@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000170777410 337082971 /nfs/dbraw/zinc/08/29/71/337082971.db2.gz QOOXASIYWVTVGV-IEBWSBKVSA-N 1 1 324.449 3.730 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@@H+](CCc3ccccc3Cl)C2)no1 ZINC000171403147 337087164 /nfs/dbraw/zinc/08/71/64/337087164.db2.gz KLZACJPEZAHJRW-CQSZACIVSA-N 1 1 319.836 3.529 10 0 DHAEMO C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CCS1 ZINC000171690784 337088608 /nfs/dbraw/zinc/08/86/08/337088608.db2.gz AJJNRZAADQUGQN-NSHDSACASA-N 1 1 305.365 3.565 10 0 DHAEMO Fc1cc(C[N@@H+]2CCC[C@@H]2c2ccco2)c2c(c1)COCO2 ZINC000172027503 337091036 /nfs/dbraw/zinc/09/10/36/337091036.db2.gz ZACNGUSEOXGJMM-OAHLLOKOSA-N 1 1 303.333 3.622 10 0 DHAEMO Fc1cc(C[N@H+]2CCC[C@@H]2c2ccco2)c2c(c1)COCO2 ZINC000172027503 337091037 /nfs/dbraw/zinc/09/10/37/337091037.db2.gz ZACNGUSEOXGJMM-OAHLLOKOSA-N 1 1 303.333 3.622 10 0 DHAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(Cl)cc2)o1 ZINC000172879902 337131690 /nfs/dbraw/zinc/13/16/90/337131690.db2.gz BXELQDUPHNHXFC-STQMWFEESA-N 1 1 320.820 3.597 10 0 DHAEMO O[C@H](C[C@H]1CCC[N@H+]1Cc1nc2ccccc2o1)c1ccccc1 ZINC000174378923 337141233 /nfs/dbraw/zinc/14/12/33/337141233.db2.gz JGEFJEZXXXYJJM-SJLPKXTDSA-N 1 1 322.408 3.916 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1csc(C2CCCC2)n1 ZINC000175342485 337145401 /nfs/dbraw/zinc/14/54/01/337145401.db2.gz NEGIYNTVSBMZOC-MRXNPFEDSA-N 1 1 307.507 3.717 10 0 DHAEMO Cc1csc([C@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)n1 ZINC000175419224 337145923 /nfs/dbraw/zinc/14/59/23/337145923.db2.gz RXSIWIUDZZRONW-JTQLQIEISA-N 1 1 313.879 3.941 10 0 DHAEMO Cc1csc([C@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)n1 ZINC000175419224 337145924 /nfs/dbraw/zinc/14/59/24/337145924.db2.gz RXSIWIUDZZRONW-JTQLQIEISA-N 1 1 313.879 3.941 10 0 DHAEMO CCCC[C@@H](CC)CC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000177210984 337154885 /nfs/dbraw/zinc/15/48/85/337154885.db2.gz UPTMUHUYAFPBRD-SJORKVTESA-N 1 1 305.466 3.789 10 0 DHAEMO CCC[C@@H](NC(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000177336648 337156934 /nfs/dbraw/zinc/15/69/34/337156934.db2.gz MLDQRNXJLVZUGC-QZTJIDSGSA-N 1 1 317.477 3.654 10 0 DHAEMO Cn1ncc2c1CCC[C@H]2[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000178614933 337165585 /nfs/dbraw/zinc/16/55/85/337165585.db2.gz JQXWIVVFWOXUDV-UYAOXDASSA-N 1 1 318.424 3.572 10 0 DHAEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(C)c3)C2)no1 ZINC000180427681 337174572 /nfs/dbraw/zinc/17/45/72/337174572.db2.gz DSQQPZNSBIIXLR-AWEZNQCLSA-N 1 1 319.836 3.795 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ncc(C(C)C)s1 ZINC000183060683 337191187 /nfs/dbraw/zinc/19/11/87/337191187.db2.gz JBWJOHRUBFYPQR-CQSZACIVSA-N 1 1 318.490 3.954 10 0 DHAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ncc(C(C)C)s1 ZINC000183060683 337191188 /nfs/dbraw/zinc/19/11/88/337191188.db2.gz JBWJOHRUBFYPQR-CQSZACIVSA-N 1 1 318.490 3.954 10 0 DHAEMO CCC[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000183091564 337191307 /nfs/dbraw/zinc/19/13/07/337191307.db2.gz ZZZDLUJVXLDUJT-DOTOQJQBSA-N 1 1 314.429 3.896 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000186219887 337254866 /nfs/dbraw/zinc/25/48/66/337254866.db2.gz VZBZERTXMDAVMX-SJORKVTESA-N 1 1 310.445 3.705 10 0 DHAEMO CCC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccsc1 ZINC000187739001 337269685 /nfs/dbraw/zinc/26/96/85/337269685.db2.gz XCFADBHWMRSOBT-GXTWGEPZSA-N 1 1 304.463 3.868 10 0 DHAEMO CCc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188112376 337270951 /nfs/dbraw/zinc/27/09/51/337270951.db2.gz PHMUECROOUVPTA-ROUUACIJSA-N 1 1 301.455 3.518 10 0 DHAEMO Cc1ccc(C)c(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188138249 337271076 /nfs/dbraw/zinc/27/10/76/337271076.db2.gz ZHJKSUILFARBHZ-ROUUACIJSA-N 1 1 301.455 3.573 10 0 DHAEMO COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000192009847 337302053 /nfs/dbraw/zinc/30/20/53/337302053.db2.gz ZBXILYDRLGLUOR-OAHLLOKOSA-N 1 1 319.836 3.691 10 0 DHAEMO COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000192009847 337302054 /nfs/dbraw/zinc/30/20/54/337302054.db2.gz ZBXILYDRLGLUOR-OAHLLOKOSA-N 1 1 319.836 3.691 10 0 DHAEMO CC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000584637151 337379432 /nfs/dbraw/zinc/37/94/32/337379432.db2.gz YGJDNTHRMJACHN-VQTJNVASSA-N 1 1 309.409 3.564 10 0 DHAEMO COc1cc2c(cc1OC)[C@H]1C[C@H](c3ccccc3)C[N@H+]1CC2 ZINC000584649268 337380501 /nfs/dbraw/zinc/38/05/01/337380501.db2.gz GGMQYTBZZVMOEE-FUHWJXTLSA-N 1 1 309.409 3.791 10 0 DHAEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccccc3OC(F)F)C2)c1 ZINC000106221329 337387146 /nfs/dbraw/zinc/38/71/46/337387146.db2.gz RJBXPBMYBPSUPC-HNNXBMFYSA-N 1 1 321.371 3.630 10 0 DHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCOc1cccc(C)c1 ZINC000106210953 337387175 /nfs/dbraw/zinc/38/71/75/337387175.db2.gz XHVJHJDYQAEUDQ-SFHVURJKSA-N 1 1 313.445 3.561 10 0 DHAEMO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)c1nnc2n1CCCC2 ZINC000131096292 337436228 /nfs/dbraw/zinc/43/62/28/337436228.db2.gz PAUXWIDNTLIBGA-GJZGRUSLSA-N 1 1 324.472 3.905 10 0 DHAEMO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1C ZINC000131142751 337436497 /nfs/dbraw/zinc/43/64/97/337436497.db2.gz UJRDPLIZJCWELC-HZPDHXFCSA-N 1 1 312.461 3.951 10 0 DHAEMO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000133027258 337444101 /nfs/dbraw/zinc/44/41/01/337444101.db2.gz BCCSROZLDKFATR-UHOSZYNNSA-N 1 1 322.537 3.682 10 0 DHAEMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000303081141 340300901 /nfs/dbraw/zinc/30/09/01/340300901.db2.gz ARLVUZYVGPCCQI-RBUKOAKNSA-N 1 1 319.489 3.712 10 0 DHAEMO O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000512228954 340353117 /nfs/dbraw/zinc/35/31/17/340353117.db2.gz NFCHORQRCPXRJZ-UXHICEINSA-N 1 1 317.473 3.609 10 0 DHAEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C)C2)no1 ZINC000136182491 341254583 /nfs/dbraw/zinc/25/45/83/341254583.db2.gz IAGRBVUXJJILNX-CQSZACIVSA-N 1 1 319.836 3.795 10 0 DHAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(Cl)c1C ZINC000245424181 341292912 /nfs/dbraw/zinc/29/29/12/341292912.db2.gz CCEMKAOEHLXGRO-KGLIPLIRSA-N 1 1 321.852 3.739 10 0 DHAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CC[C@H](C)c1ccccc1 ZINC000246303116 341341008 /nfs/dbraw/zinc/34/10/08/341341008.db2.gz PVFLIHSFZFKEPH-FUHWJXTLSA-N 1 1 302.462 3.513 10 0 DHAEMO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000247000122 341359808 /nfs/dbraw/zinc/35/98/08/341359808.db2.gz KQHINJJQUZUOGJ-HEHGZKQESA-N 1 1 312.404 3.667 10 0 DHAEMO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cccc(OC(F)F)c2)C1 ZINC000247000122 341359809 /nfs/dbraw/zinc/35/98/09/341359809.db2.gz KQHINJJQUZUOGJ-HEHGZKQESA-N 1 1 312.404 3.667 10 0 DHAEMO CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)c2ccc3ccccc3c2)C1 ZINC000247027134 341360061 /nfs/dbraw/zinc/36/00/61/341360061.db2.gz SWRNFPGDEUUZED-BEFAXECRSA-N 1 1 310.441 3.544 10 0 DHAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc2ccccc21 ZINC000247707300 341369343 /nfs/dbraw/zinc/36/93/43/341369343.db2.gz ZFWRYYUWDBUQJX-IRXDYDNUSA-N 1 1 323.440 3.930 10 0 DHAEMO O[C@@]12CCCC[C@H]1C[N@@H+](Cc1ccccc1C(F)(F)F)CC2 ZINC000247969195 341371636 /nfs/dbraw/zinc/37/16/36/341371636.db2.gz IRRKPMAGNQWORP-GOEBONIOSA-N 1 1 313.363 3.832 10 0 DHAEMO CCCCOC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000248663281 341383756 /nfs/dbraw/zinc/38/37/56/341383756.db2.gz ZKXMGAUAUZWQKO-DJIMGWMZSA-N 1 1 309.450 3.539 10 0 DHAEMO O[C@]12CCCC[C@H]1C[N@@H+](CCSCc1ccccc1)CC2 ZINC000248748573 341385922 /nfs/dbraw/zinc/38/59/22/341385922.db2.gz OBVKPLSFZNJSFB-ROUUACIJSA-N 1 1 305.487 3.547 10 0 DHAEMO CC(C)(C)n1cc(C[NH2+][C@H]2c3ccccc3CCC2(C)C)nn1 ZINC000191472209 519162236 /nfs/dbraw/zinc/16/22/36/519162236.db2.gz CRFSBOQXPVPAHG-KRWDZBQOSA-N 1 1 312.461 3.836 10 0 DHAEMO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000182854677 519547987 /nfs/dbraw/zinc/54/79/87/519547987.db2.gz XOFMBZBBOORFAP-OAHLLOKOSA-N 1 1 300.450 3.908 10 0 DHAEMO CCc1csc([C@@H]2CCC[N@@H+](CCc3ccncc3)C2)n1 ZINC000157816449 522113054 /nfs/dbraw/zinc/11/30/54/522113054.db2.gz GBNDDCNBAHSVKD-OAHLLOKOSA-N 1 1 301.459 3.523 10 0 DHAEMO CCc1nc(C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)cs1 ZINC000156967807 522309604 /nfs/dbraw/zinc/30/96/04/522309604.db2.gz LBCQNLIMMIVOKR-LBPRGKRZSA-N 1 1 307.488 3.850 10 0 DHAEMO CCc1nc(C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)cs1 ZINC000156967807 522309609 /nfs/dbraw/zinc/30/96/09/522309609.db2.gz LBCQNLIMMIVOKR-LBPRGKRZSA-N 1 1 307.488 3.850 10 0 DHAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000106213216 522597101 /nfs/dbraw/zinc/59/71/01/522597101.db2.gz QUWRSNURKXZIQB-LSDHHAIUSA-N 1 1 301.409 3.983 10 0 DHAEMO CN(Cc1ccc(SC(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000226448287 523273528 /nfs/dbraw/zinc/27/35/28/523273528.db2.gz KYZRZEZESFIZNE-ZDUSSCGKSA-N 1 1 318.408 3.872 10 0 DHAEMO C[NH+]1CCC(N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000161517515 523778217 /nfs/dbraw/zinc/77/82/17/523778217.db2.gz OUJJAFZHURBLAE-QGZVFWFLSA-N 1 1 300.446 3.507 10 0 DHAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1C(C)(C)C ZINC000177094248 524685020 /nfs/dbraw/zinc/68/50/20/524685020.db2.gz GAKVIQTXJVYCBU-LSDHHAIUSA-N 1 1 315.461 3.685 10 0 DHAEMO COc1ccnc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)c1OC ZINC000191047117 524836048 /nfs/dbraw/zinc/83/60/48/524836048.db2.gz UOJIMXZWYRTAFV-SNVBAGLBSA-N 1 1 324.783 3.742 10 0 DHAEMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(C(N)=O)cs1 ZINC000130839410 526048532 /nfs/dbraw/zinc/04/85/32/526048532.db2.gz GFNDUVDLMUDUGG-SNVBAGLBSA-N 1 1 308.834 3.693 10 0 DHAEMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C(N)=O)cs1 ZINC000130839410 526048540 /nfs/dbraw/zinc/04/85/40/526048540.db2.gz GFNDUVDLMUDUGG-SNVBAGLBSA-N 1 1 308.834 3.693 10 0 DHAEMO Cc1nc2c(s1)[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)CCC2 ZINC000163851171 527109181 /nfs/dbraw/zinc/10/91/81/527109181.db2.gz QEJYWVKOAGVCPV-IRXDYDNUSA-N 1 1 315.486 3.721 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000182149003 527187990 /nfs/dbraw/zinc/18/79/90/527187990.db2.gz QIMHFFPTWYZRTF-HOTGVXAUSA-N 1 1 320.387 3.687 10 0 DHAEMO Cn1cc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)cn1 ZINC000128536407 527320050 /nfs/dbraw/zinc/32/00/50/527320050.db2.gz RINCXBQTOWBLQP-NSHDSACASA-N 1 1 310.228 3.716 10 0 DHAEMO c1cc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c[nH]1 ZINC000093387237 1032536778 /nfs/dbraw/zinc/53/67/78/1032536778.db2.gz FAVOGNGVOHJIKQ-KRWDZBQOSA-N 1 1 306.413 3.784 10 0 DHAEMO CC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2OC)no1 ZINC000066405449 1035131693 /nfs/dbraw/zinc/13/16/93/1035131693.db2.gz NHUGNQBSJAMIDI-ZDUSSCGKSA-N 1 1 301.390 3.510 10 0 DHAEMO [NH3+][C@H](c1nc2c(s1)CCC2)c1cc(F)cc(C(F)(F)F)c1 ZINC000096795222 185388611 /nfs/dbraw/zinc/38/86/11/185388611.db2.gz WJZHCKYDOYFPDD-LBPRGKRZSA-N 1 1 316.323 3.838 10 0 DHAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000088559661 185257729 /nfs/dbraw/zinc/25/77/29/185257729.db2.gz YAZNKSZMOMUSSU-HUUCEWRRSA-N 1 1 302.397 3.555 10 0 DHAEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000088559658 185257861 /nfs/dbraw/zinc/25/78/61/185257861.db2.gz YAZNKSZMOMUSSU-GJZGRUSLSA-N 1 1 302.397 3.555 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000090224009 185287177 /nfs/dbraw/zinc/28/71/77/185287177.db2.gz DJFSUSPQYCNPDY-HZMBPMFUSA-N 1 1 324.350 3.791 10 0 DHAEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000090224410 185287353 /nfs/dbraw/zinc/28/73/53/185287353.db2.gz HUVPHELPBUEFLJ-DYVFJYSZSA-N 1 1 314.433 3.559 10 0 DHAEMO CSc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C)nc32)cc1F ZINC000090225292 185287661 /nfs/dbraw/zinc/28/76/61/185287661.db2.gz CGSWBOFBNPCJNQ-IINYFYTJSA-N 1 1 320.437 3.633 10 0 DHAEMO Cc1csc([C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)n1 ZINC000092790362 185341541 /nfs/dbraw/zinc/34/15/41/185341541.db2.gz QCQZGQUUBDLONN-INIZCTEOSA-N 1 1 313.426 3.506 10 0 DHAEMO Cc1csc([C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)n1 ZINC000092790362 185341542 /nfs/dbraw/zinc/34/15/42/185341542.db2.gz QCQZGQUUBDLONN-INIZCTEOSA-N 1 1 313.426 3.506 10 0 DHAEMO CCn1cc(C2CC[NH+](Cc3cc(F)c(F)cc3F)CC2)cn1 ZINC000092809378 185343031 /nfs/dbraw/zinc/34/30/31/185343031.db2.gz UPQPKKQEENQFME-UHFFFAOYSA-N 1 1 323.362 3.700 10 0 DHAEMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000073654425 191336622 /nfs/dbraw/zinc/33/66/22/191336622.db2.gz AJCLSGHYNBJLKO-RDJZCZTQSA-N 1 1 318.461 3.764 10 0 DHAEMO COc1cccc(C(=O)O[C@H](C)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000006409510 181339375 /nfs/dbraw/zinc/33/93/75/181339375.db2.gz FZUAYJQPOVHLAH-QLFBSQMISA-N 1 1 305.418 3.503 10 0 DHAEMO [NH3+][C@H]1c2ccccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000019795646 182151001 /nfs/dbraw/zinc/15/10/01/182151001.db2.gz YODXIRNITDQEOA-AWEZNQCLSA-N 1 1 307.180 3.540 10 0 DHAEMO CN1CCC[C@H]([N@@H+](C)CCc2ccc(Cl)c(Cl)c2)C1 ZINC000022935734 182342312 /nfs/dbraw/zinc/34/23/12/182342312.db2.gz GWSDEZBGUQLVNF-ZDUSSCGKSA-N 1 1 301.261 3.562 10 0 DHAEMO CN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+](C)C1 ZINC000022935734 182342314 /nfs/dbraw/zinc/34/23/14/182342314.db2.gz GWSDEZBGUQLVNF-ZDUSSCGKSA-N 1 1 301.261 3.562 10 0 DHAEMO CN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000022935734 182342318 /nfs/dbraw/zinc/34/23/18/182342318.db2.gz GWSDEZBGUQLVNF-ZDUSSCGKSA-N 1 1 301.261 3.562 10 0 DHAEMO CC1CC[NH+]([C@@H](CN)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000039789206 183021723 /nfs/dbraw/zinc/02/17/23/183021723.db2.gz UYOAZIWOIRHNSA-NRFANRHFSA-N 1 1 324.468 3.997 10 0 DHAEMO CC(C)CCNc1[nH+]cnc(N(CC(C)C)CC(C)C)c1N ZINC000040735837 183126667 /nfs/dbraw/zinc/12/66/67/183126667.db2.gz PATQKHPMBSFTNO-UHFFFAOYSA-N 1 1 307.486 3.635 10 0 DHAEMO CC(C)CCNc1nc[nH+]c(N(CC(C)C)CC(C)C)c1N ZINC000040735837 183126670 /nfs/dbraw/zinc/12/66/70/183126670.db2.gz PATQKHPMBSFTNO-UHFFFAOYSA-N 1 1 307.486 3.635 10 0 DHAEMO C[C@@H]1CCCC[N@H+]1CC[C@H](O)c1ccc(Br)cc1 ZINC000041145252 183175844 /nfs/dbraw/zinc/17/58/44/183175844.db2.gz KNBPCVWMVHEVMW-DOMZBBRYSA-N 1 1 312.251 3.747 10 0 DHAEMO CC(C)C[N@@H+](CC(=O)c1ccc(Br)cc1)C(C)C ZINC000042587730 183287680 /nfs/dbraw/zinc/28/76/80/183287680.db2.gz CNLOXWZREZSFEU-UHFFFAOYSA-N 1 1 312.251 3.998 10 0 DHAEMO CC(C)C[C@@H](C)[N@@H+](C)CC(=O)c1ccc(Br)cc1 ZINC000042586606 183287739 /nfs/dbraw/zinc/28/77/39/183287739.db2.gz DDWHHBYMKKMJKH-GFCCVEGCSA-N 1 1 312.251 3.998 10 0 DHAEMO C[C@H](C[NH+]1CCCC1)N[C@@H](C)c1sccc1Br ZINC000042598351 183289463 /nfs/dbraw/zinc/28/94/63/183289463.db2.gz PWFUXCCVSTWRFQ-MNOVXSKESA-N 1 1 317.296 3.646 10 0 DHAEMO CCC[N@H+]([C@@H](c1ccc(Br)cc1)[C@@H](C)N)C1CC1 ZINC000042952881 183322020 /nfs/dbraw/zinc/32/20/20/183322020.db2.gz MHRLNCRPMRFTQN-IAQYHMDHSA-N 1 1 311.267 3.712 10 0 DHAEMO CCC[N@@H+]([C@@H](c1ccc(Br)cc1)[C@@H](C)N)C1CC1 ZINC000042952881 183322022 /nfs/dbraw/zinc/32/20/22/183322022.db2.gz MHRLNCRPMRFTQN-IAQYHMDHSA-N 1 1 311.267 3.712 10 0 DHAEMO CCC(CC)[N@@H+](C)[C@H](c1ccc(Br)cc1)[C@@H](C)N ZINC000042953363 183322349 /nfs/dbraw/zinc/32/23/49/183322349.db2.gz NKDZSIBPRYOEBH-ABAIWWIYSA-N 1 1 313.283 3.958 10 0 DHAEMO CCCN(CCC)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043019942 183328504 /nfs/dbraw/zinc/32/85/04/183328504.db2.gz MKSJAESILHQSSI-IUODEOHRSA-N 1 1 313.283 3.959 10 0 DHAEMO CCC[N@@H+](CC)[C@@H](c1cccc(Br)c1)[C@H](N)CC ZINC000043020349 183328584 /nfs/dbraw/zinc/32/85/84/183328584.db2.gz QYLOAELYHLEBLL-CABCVRRESA-N 1 1 313.283 3.959 10 0 DHAEMO CCCN(CC)[C@@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043020349 183328586 /nfs/dbraw/zinc/32/85/86/183328586.db2.gz QYLOAELYHLEBLL-CABCVRRESA-N 1 1 313.283 3.959 10 0 DHAEMO CC(C)[C@H](C)[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)N ZINC000043020637 183330054 /nfs/dbraw/zinc/33/00/54/183330054.db2.gz NTQPJNSKHOARRQ-TYNCELHUSA-N 1 1 313.283 3.814 10 0 DHAEMO CC(C)[C@H](C)N(C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020637 183330059 /nfs/dbraw/zinc/33/00/59/183330059.db2.gz NTQPJNSKHOARRQ-TYNCELHUSA-N 1 1 313.283 3.814 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)c1 ZINC000106219873 194190982 /nfs/dbraw/zinc/19/09/82/194190982.db2.gz VXRHICHRVVQYMQ-OAHLLOKOSA-N 1 1 321.371 3.630 10 0 DHAEMO CC1(C)CCC[N@H+]1CC[C@@H](O)c1cccc(Br)c1 ZINC000063073592 184269148 /nfs/dbraw/zinc/26/91/48/184269148.db2.gz GEVJXMYRDZZTHW-CQSZACIVSA-N 1 1 312.251 3.747 10 0 DHAEMO C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000238856872 257260145 /nfs/dbraw/zinc/26/01/45/257260145.db2.gz XMRUFXRESHLTCT-INMHGKMJSA-N 1 1 318.461 3.810 10 0 DHAEMO C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000238856873 257260171 /nfs/dbraw/zinc/26/01/71/257260171.db2.gz XMRUFXRESHLTCT-VYDXJSESSA-N 1 1 318.461 3.810 10 0 DHAEMO Cc1cccc(CCC[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c1 ZINC000181103121 332175474 /nfs/dbraw/zinc/17/54/74/332175474.db2.gz IVIAZVNXIVJCQB-UHFFFAOYSA-N 1 1 311.473 3.843 10 0 DHAEMO c1ncn([C@H]2CCC[N@H+](CC3CCC(c4ccccc4)CC3)C2)n1 ZINC000189013592 333060720 /nfs/dbraw/zinc/06/07/20/333060720.db2.gz HSUWFJBDNYQTGM-UUKMXZOPSA-N 1 1 324.472 3.889 10 0 DHAEMO CCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000179030653 333145322 /nfs/dbraw/zinc/14/53/22/333145322.db2.gz JQTUMXKSYLFZRN-CQSZACIVSA-N 1 1 300.450 3.656 10 0 DHAEMO O=C(c1cc(Cl)ccc1Cl)N1CC[NH2+]Cc2ccccc21 ZINC000062818397 333337446 /nfs/dbraw/zinc/33/74/46/333337446.db2.gz BJJCPURKQBPPLF-UHFFFAOYSA-N 1 1 321.207 3.743 10 0 DHAEMO CC[N@@H+](CCNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000102066689 334375630 /nfs/dbraw/zinc/37/56/30/334375630.db2.gz XFPBFMUZDSZRIH-ZDUSSCGKSA-N 1 1 323.868 3.527 10 0 DHAEMO Cc1[nH+]ccn1Cc1cccc(CNc2ccnc(Cl)c2)c1 ZINC000301611760 336318159 /nfs/dbraw/zinc/31/81/59/336318159.db2.gz DYWCRQUKIXSHKK-UHFFFAOYSA-N 1 1 312.804 3.900 10 0 DHAEMO CN(C)c1cc[nH+]c(N[C@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000301737580 336326602 /nfs/dbraw/zinc/32/66/02/336326602.db2.gz RYMSXMRXHHJVDZ-HNNXBMFYSA-N 1 1 302.809 3.759 10 0 DHAEMO CN(C)c1cc[nH+]c(N[C@@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000301737582 336326639 /nfs/dbraw/zinc/32/66/39/336326639.db2.gz RYMSXMRXHHJVDZ-OAHLLOKOSA-N 1 1 302.809 3.759 10 0 DHAEMO Cn1cc([C@@H]2CCCN2c2cc[nH+]c3cc(Cl)ccc32)cn1 ZINC000108946213 336394705 /nfs/dbraw/zinc/39/47/05/336394705.db2.gz RDUJHPANTCNHOI-INIZCTEOSA-N 1 1 312.804 3.963 10 0 DHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC000122817768 337026627 /nfs/dbraw/zinc/02/66/27/337026627.db2.gz PGVUOARIUWZOSQ-INIZCTEOSA-N 1 1 305.372 3.652 10 0 DHAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC000122817768 337026628 /nfs/dbraw/zinc/02/66/28/337026628.db2.gz PGVUOARIUWZOSQ-INIZCTEOSA-N 1 1 305.372 3.652 10 0 DHAEMO Cc1csc([C@H]2CCC[N@@H+](Cc3ccncc3Cl)C2)n1 ZINC000173757867 337136067 /nfs/dbraw/zinc/13/60/67/337136067.db2.gz SJILKAYCKPFHCY-ZDUSSCGKSA-N 1 1 307.850 3.880 10 0 DHAEMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)Cc1nnc(C)n1CC ZINC000173991610 337140340 /nfs/dbraw/zinc/14/03/40/337140340.db2.gz LIYRRULFGKLJJA-GOSISDBHSA-N 1 1 314.477 3.758 10 0 DHAEMO O[C@H](C[C@@H]1CCC[N@H+]1Cc1nc2ccccc2o1)c1ccccc1 ZINC000174378894 337141287 /nfs/dbraw/zinc/14/12/87/337141287.db2.gz JGEFJEZXXXYJJM-FUHWJXTLSA-N 1 1 322.408 3.916 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)n1 ZINC000175419202 337145954 /nfs/dbraw/zinc/14/59/54/337145954.db2.gz RXSIWIUDZZRONW-SNVBAGLBSA-N 1 1 313.879 3.941 10 0 DHAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)n1 ZINC000175419202 337145955 /nfs/dbraw/zinc/14/59/55/337145955.db2.gz RXSIWIUDZZRONW-SNVBAGLBSA-N 1 1 313.879 3.941 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CC2CCCCCC2)C1 ZINC000176281017 337150637 /nfs/dbraw/zinc/15/06/37/337150637.db2.gz GHRZDLCKEBNQTC-KRWDZBQOSA-N 1 1 317.477 3.970 10 0 DHAEMO c1nc2n(n1)CCC[C@H]2[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000176683940 337152668 /nfs/dbraw/zinc/15/26/68/337152668.db2.gz KUBXCNBNMLVLIZ-RTBURBONSA-N 1 1 318.424 3.687 10 0 DHAEMO Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000180127174 337171519 /nfs/dbraw/zinc/17/15/19/337171519.db2.gz QGMLYPGCHUQHIA-MRXNPFEDSA-N 1 1 309.413 3.911 10 0 DHAEMO CCCCC[C@H](CC)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000181202959 337180324 /nfs/dbraw/zinc/18/03/24/337180324.db2.gz HMUNBYUBTFITQW-IRXDYDNUSA-N 1 1 305.466 3.789 10 0 DHAEMO Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000186180568 337254228 /nfs/dbraw/zinc/25/42/28/337254228.db2.gz SGOCWYUSUWQBFC-WBVHZDCISA-N 1 1 324.472 3.959 10 0 DHAEMO CN1C(=O)CCc2cc(C[N@H+]3CCC[C@H]3c3ccco3)ccc21 ZINC000186966448 337261786 /nfs/dbraw/zinc/26/17/86/337261786.db2.gz PXVWVRZWEMVRGQ-KRWDZBQOSA-N 1 1 310.397 3.526 10 0 DHAEMO Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)c(C)c1 ZINC000190298419 337286592 /nfs/dbraw/zinc/28/65/92/337286592.db2.gz NVHBAMWJAXDEHL-MSOLQXFVSA-N 1 1 301.455 3.573 10 0 DHAEMO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000191977703 337302486 /nfs/dbraw/zinc/30/24/86/337302486.db2.gz YMCJDQDTIUSVLO-KBPBESRZSA-N 1 1 324.490 3.751 10 0 DHAEMO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000191977703 337302487 /nfs/dbraw/zinc/30/24/87/337302487.db2.gz YMCJDQDTIUSVLO-KBPBESRZSA-N 1 1 324.490 3.751 10 0 DHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC000109676230 337388535 /nfs/dbraw/zinc/38/85/35/337388535.db2.gz BGKCLWINLQQPMU-HOTGVXAUSA-N 1 1 305.466 3.681 10 0 DHAEMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000303081143 340300985 /nfs/dbraw/zinc/30/09/85/340300985.db2.gz ARLVUZYVGPCCQI-RTBURBONSA-N 1 1 319.489 3.712 10 0 DHAEMO CC(C)(CO)[C@H](CNc1cc[nH+]cc1Cl)c1ccccc1 ZINC000179078033 340452961 /nfs/dbraw/zinc/45/29/61/340452961.db2.gz ZIUAHHOHGVAOGZ-CQSZACIVSA-N 1 1 304.821 3.949 10 0 DHAEMO c1cncc(-c2cccc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)c2)c1 ZINC000245541754 341300809 /nfs/dbraw/zinc/30/08/09/341300809.db2.gz OTVMBXYVKPGXSC-UXHICEINSA-N 1 1 308.425 3.892 10 0 DHAEMO C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246086233 341324447 /nfs/dbraw/zinc/32/44/47/341324447.db2.gz FGEQOWGUHKKSNK-KGLIPLIRSA-N 1 1 317.383 3.855 10 0 DHAEMO Cc1cc(C[C@H](C)[NH2+][C@@H]2c3cccc(F)c3CC[C@H]2C)n[nH]1 ZINC000246308109 341341456 /nfs/dbraw/zinc/34/14/56/341341456.db2.gz DNXPLYWXLRWIIW-SOZUMNATSA-N 1 1 301.409 3.701 10 0 DHAEMO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246351016 341343746 /nfs/dbraw/zinc/34/37/46/341343746.db2.gz MOJXIHBAAOEZEG-QXSJWSMHSA-N 1 1 304.434 3.595 10 0 DHAEMO C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccn1 ZINC000248405158 341376809 /nfs/dbraw/zinc/37/68/09/341376809.db2.gz ANGFFOZOGBDJOQ-GZMOKQHVSA-N 1 1 321.468 3.643 10 0 DHAEMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000179861425 518444336 /nfs/dbraw/zinc/44/43/36/518444336.db2.gz JTUQPHDOBLONIL-OTMARIDSSA-N 1 1 311.429 3.736 10 0 DHAEMO CC(C)c1nc2c(n1C)CCN(c1cc[nH+]c3ccsc31)C2 ZINC000266367484 519869201 /nfs/dbraw/zinc/86/92/01/519869201.db2.gz LHGRLIVSODADKW-UHFFFAOYSA-N 1 1 312.442 3.716 10 0 DHAEMO CCc1nnc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)o1 ZINC000127842056 522729984 /nfs/dbraw/zinc/72/99/84/522729984.db2.gz VVPCUPHXEZWCKN-GFCCVEGCSA-N 1 1 320.462 3.592 10 0 DHAEMO CCc1nnc(C[N@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)o1 ZINC000127842056 522729989 /nfs/dbraw/zinc/72/99/89/522729989.db2.gz VVPCUPHXEZWCKN-GFCCVEGCSA-N 1 1 320.462 3.592 10 0 DHAEMO CCn1cc(C2CC[NH+](Cc3cc(F)c(F)c(F)c3)CC2)cn1 ZINC000128117708 523357318 /nfs/dbraw/zinc/35/73/18/523357318.db2.gz BYBVXSKYRWYCLK-UHFFFAOYSA-N 1 1 323.362 3.700 10 0 DHAEMO Cc1cc(C)cc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190485202 524383627 /nfs/dbraw/zinc/38/36/27/524383627.db2.gz LTYIILRMKLTJPC-FQEVSTJZSA-N 1 1 323.484 3.652 10 0 DHAEMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1NC(C)=O ZINC000158164097 525159665 /nfs/dbraw/zinc/15/96/65/525159665.db2.gz WMDKOIJUKXEJOF-OLZOCXBDSA-N 1 1 316.401 3.967 10 0 DHAEMO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cccc2ccccc21 ZINC000181649179 525496055 /nfs/dbraw/zinc/49/60/55/525496055.db2.gz WLBGODYLXCCXQF-ZDUSSCGKSA-N 1 1 306.413 3.697 10 0 DHAEMO C[C@@H]([NH2+][C@H](C)c1nnnn1C1CCCCC1)c1cccs1 ZINC000189738863 525664538 /nfs/dbraw/zinc/66/45/38/525664538.db2.gz NEJAKKXKGHHORN-VXGBXAGGSA-N 1 1 305.451 3.652 10 0 DHAEMO Cc1ccsc1C[N@@H+]1CCCN(Cc2csc(C)n2)CC1 ZINC000157250805 525844355 /nfs/dbraw/zinc/84/43/55/525844355.db2.gz FXOKKMCVXVELCD-UHFFFAOYSA-N 1 1 321.515 3.529 10 0 DHAEMO Cc1ccc([C@H](C)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000158098016 525942781 /nfs/dbraw/zinc/94/27/81/525942781.db2.gz QILXDRXSJNNHJT-CVEARBPZSA-N 1 1 316.445 3.940 10 0 DHAEMO Cc1cnc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)s1 ZINC000180523878 526016049 /nfs/dbraw/zinc/01/60/49/526016049.db2.gz CWFZYLFODLXSRG-CVEARBPZSA-N 1 1 302.443 3.540 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)c3c(F)cccc3F)C2)c1 ZINC000106225748 526266483 /nfs/dbraw/zinc/26/64/83/526266483.db2.gz YZRFZIMDSONBAJ-UONOGXRCSA-N 1 1 305.372 3.868 10 0 DHAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)c3c(F)cccc3F)C2)c1 ZINC000106225748 526266485 /nfs/dbraw/zinc/26/64/85/526266485.db2.gz YZRFZIMDSONBAJ-UONOGXRCSA-N 1 1 305.372 3.868 10 0 DHAEMO c1cc(Oc2ccccc2)oc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000180430057 526436202 /nfs/dbraw/zinc/43/62/02/526436202.db2.gz IIQHTXMTZZTSFZ-OAHLLOKOSA-N 1 1 324.384 3.501 10 0 DHAEMO c1cc(Oc2ccccc2)oc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000180430057 526436208 /nfs/dbraw/zinc/43/62/08/526436208.db2.gz IIQHTXMTZZTSFZ-OAHLLOKOSA-N 1 1 324.384 3.501 10 0 DHAEMO Cc1nc2c(s1)[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)CCC2 ZINC000163851048 527113709 /nfs/dbraw/zinc/11/37/09/527113709.db2.gz QEJYWVKOAGVCPV-SJORKVTESA-N 1 1 315.486 3.721 10 0 DHAEMO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(OCC3CC3)cc2)cn1 ZINC000191322872 527317256 /nfs/dbraw/zinc/31/72/56/527317256.db2.gz ZTNCKUHGHQQJBH-LJQANCHMSA-N 1 1 311.429 3.546 10 0 DHAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 ZINC000175145984 527447498 /nfs/dbraw/zinc/44/74/98/527447498.db2.gz BZSKYZHGWAJHIJ-OAHLLOKOSA-N 1 1 318.808 3.541 10 0 DHAEMO OC[C@@H]1C[N@@H+](CCCCc2ccccc2)C[C@H]1c1ccsc1 ZINC000188073170 527594251 /nfs/dbraw/zinc/59/42/51/527594251.db2.gz PKGNVKAZEUFNLX-OALUTQOASA-N 1 1 315.482 3.779 10 0 DHAEMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068593163 563495454 /nfs/dbraw/zinc/49/54/54/563495454.db2.gz SUMRNPXVOUVXAY-INMHGKMJSA-N 1 1 318.461 3.810 10 0 DHAEMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000068593003 563495891 /nfs/dbraw/zinc/49/58/91/563495891.db2.gz UCWSKARTULHLTN-INMHGKMJSA-N 1 1 318.461 3.810 10 0 DHAEMO