smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)COCC[C@@H]1C[N@@H+](CC2CCC2)Cc2ccnn21 ZINC000306128855 231085220 /nfs/dbraw/zinc/08/52/20/231085220.db2.gz HMQVMHQUQBDTCH-MRXNPFEDSA-N 1 1 320.437 1.535 40 0 DDABMO CN(C)C(=O)NC[C@H]1CO[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000306141128 231090029 /nfs/dbraw/zinc/09/00/29/231090029.db2.gz VLWOITDBNBMNSJ-GVDBMIGSSA-N 1 1 317.433 1.447 40 0 DDABMO C[C@]1(C(=O)N2CCOCC2)C[N@H+](Cc2cccs2)CCO1 ZINC000072379400 191140582 /nfs/dbraw/zinc/14/05/82/191140582.db2.gz LYVPCMCXVOUKRU-OAHLLOKOSA-N 1 1 310.419 1.198 40 0 DDABMO C[C@]1(C(=O)N2CCOCC2)C[N@@H+](Cc2cccs2)CCO1 ZINC000072379400 191140584 /nfs/dbraw/zinc/14/05/84/191140584.db2.gz LYVPCMCXVOUKRU-OAHLLOKOSA-N 1 1 310.419 1.198 40 0 DDABMO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCC[N@H+]2CCO)n1 ZINC000072382628 191142883 /nfs/dbraw/zinc/14/28/83/191142883.db2.gz WXTUMLNKALGSMY-AWEZNQCLSA-N 1 1 314.393 1.838 40 0 DDABMO S=C(NCCCc1ccccc1)NCCC[NH+]1CCOCC1 ZINC000016238362 352158207 /nfs/dbraw/zinc/15/82/07/352158207.db2.gz SHINRDINACABSG-UHFFFAOYSA-N 1 1 321.490 1.806 40 0 DDABMO COCC[N@H+]1CC[C@]12CCCN(C(=O)c1csc(C)n1)C2 ZINC000585102037 354807323 /nfs/dbraw/zinc/80/73/23/354807323.db2.gz OLHGKXUQDUBSFJ-HNNXBMFYSA-N 1 1 309.435 1.778 40 0 DDABMO O=C(C[C@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@@H]1O)N1CCCC1 ZINC000585278830 354822634 /nfs/dbraw/zinc/82/26/34/354822634.db2.gz VWARCKZLFDWKDC-ZFWWWQNUSA-N 1 1 324.371 1.770 40 0 DDABMO O=C(C[C@H]1C[N@H+](Cc2cccc(F)c2F)C[C@@H]1O)N1CCCC1 ZINC000585278830 354822639 /nfs/dbraw/zinc/82/26/39/354822639.db2.gz VWARCKZLFDWKDC-ZFWWWQNUSA-N 1 1 324.371 1.770 40 0 DDABMO COc1ccc(F)cc1C[N@@H+](C)[C@@H]1COC[C@@H](OC)[C@H]1OC ZINC000585291163 354826509 /nfs/dbraw/zinc/82/65/09/354826509.db2.gz MEOGIPRJNQWBIB-BMFZPTHFSA-N 1 1 313.369 1.695 40 0 DDABMO COc1ccc(F)cc1C[N@H+](C)[C@@H]1COC[C@@H](OC)[C@H]1OC ZINC000585291163 354826514 /nfs/dbraw/zinc/82/65/14/354826514.db2.gz MEOGIPRJNQWBIB-BMFZPTHFSA-N 1 1 313.369 1.695 40 0 DDABMO COCC[N@H+]1CCOCC2(CC(Cc3nc(N)ncc3F)C2)C1 ZINC000257310757 203034944 /nfs/dbraw/zinc/03/49/44/203034944.db2.gz UGKLEGPHPNBIKW-UHFFFAOYSA-N 1 1 324.400 1.115 40 0 DDABMO CC(=O)NC1CC[NH+](Cc2ccnc([C@H]3CCCO3)n2)CC1 ZINC000257318959 203043821 /nfs/dbraw/zinc/04/38/21/203043821.db2.gz VQBVLBMRUXZMPW-OAHLLOKOSA-N 1 1 304.394 1.429 40 0 DDABMO COC[C@@H]1C(=O)NCC12CC[NH+](Cc1nc(C)cs1)CC2 ZINC000096207712 193581520 /nfs/dbraw/zinc/58/15/20/193581520.db2.gz QHRGJMRHTNAPAE-GFCCVEGCSA-N 1 1 309.435 1.426 40 0 DDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1c[nH]nc1-c1cccs1 ZINC000019575214 182131475 /nfs/dbraw/zinc/13/14/75/182131475.db2.gz DHPFLFPLWJXGMT-KWCYVHTRSA-N 1 1 318.446 1.778 40 0 DDABMO Cc1nn(C)cc1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000019658832 182134863 /nfs/dbraw/zinc/13/48/63/182134863.db2.gz IUWOZZJFEJBXHU-ZDUSSCGKSA-N 1 1 302.382 1.028 40 0 DDABMO Cc1nn(C)cc1NC(=O)C[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000019658832 182134864 /nfs/dbraw/zinc/13/48/64/182134864.db2.gz IUWOZZJFEJBXHU-ZDUSSCGKSA-N 1 1 302.382 1.028 40 0 DDABMO Cc1nc(N)cc(CC2CCN(C(=O)[C@H]3CCCO3)CC2)[nH+]1 ZINC000019758441 182144465 /nfs/dbraw/zinc/14/44/65/182144465.db2.gz LTCLTTXPMOOOAF-CQSZACIVSA-N 1 1 304.394 1.327 40 0 DDABMO C[C@@H](O)[C@H]([C@@H](c1ccccc1)N1CCOCC1)[NH+]1CCOCC1 ZINC000022858736 182338013 /nfs/dbraw/zinc/33/80/13/182338013.db2.gz DZJBWPMAQOFXPB-KBAYOESNSA-N 1 1 320.433 1.142 40 0 DDABMO CC[NH+]1CCN([C@H]2CC(=O)N(c3cccc(C)c3C)C2=O)CC1 ZINC000101274102 193810021 /nfs/dbraw/zinc/81/00/21/193810021.db2.gz ANNSHVIMHKEVHO-INIZCTEOSA-N 1 1 315.417 1.573 40 0 DDABMO CN1C(=O)c2cccnc2O[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC000514290208 257215416 /nfs/dbraw/zinc/21/54/16/257215416.db2.gz VUXQRXVFGUOVJK-CABCVRRESA-N 1 1 301.390 1.789 40 0 biogenic,in-vitro DDABMO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000012378081 406844213 /nfs/dbraw/zinc/84/42/13/406844213.db2.gz SNKNSEBHKHUNDR-XJKCOSOUSA-N 1 1 322.405 1.494 40 0 DDABMO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2C)n1 ZINC000035424876 406971894 /nfs/dbraw/zinc/97/18/94/406971894.db2.gz XIMKRFCXSNLYBK-LBPRGKRZSA-N 1 1 303.366 1.957 40 0 biogenic,in-vitro DDABMO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2C)n1 ZINC000035424876 406971898 /nfs/dbraw/zinc/97/18/98/406971898.db2.gz XIMKRFCXSNLYBK-LBPRGKRZSA-N 1 1 303.366 1.957 40 0 biogenic,in-vitro DDABMO C[C@H](Oc1ccc(F)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000033415631 406961980 /nfs/dbraw/zinc/96/19/80/406961980.db2.gz MCTPHWGOAFUELB-ZDUSSCGKSA-N 1 1 310.369 1.432 40 0 DDABMO COCC[N@H+]1C[C@H]2[C@@H](C1)N(Cc1ccsc1)CC[C@H]2OC ZINC000096209319 407251053 /nfs/dbraw/zinc/25/10/53/407251053.db2.gz XSYRRFSSVKNQNL-ARFHVFGLSA-N 1 1 310.463 1.916 40 0 DDABMO Cc1csc(C[N@@H+]2C[C@@H]3C[C@H](CC(=O)N4CCC4)O[C@@H]3C2)n1 ZINC000096220719 407252527 /nfs/dbraw/zinc/25/25/27/407252527.db2.gz IKYUFKKFTKUNIA-BFHYXJOUSA-N 1 1 321.446 1.663 40 0 DDABMO Cc1csc(C[N@H+]2C[C@@H]3C[C@H](CC(=O)N4CCC4)O[C@@H]3C2)n1 ZINC000096220719 407252528 /nfs/dbraw/zinc/25/25/28/407252528.db2.gz IKYUFKKFTKUNIA-BFHYXJOUSA-N 1 1 321.446 1.663 40 0 DDABMO O=C(c1ccco1)N1CCC2(CC1)C(=O)NCC[N@H+]2CC1CC1 ZINC000096230194 407254249 /nfs/dbraw/zinc/25/42/49/407254249.db2.gz RQOWRZMSUGMNQQ-UHFFFAOYSA-N 1 1 317.389 1.096 40 0 DDABMO O=C(c1ccco1)N1CCC2(CC1)C(=O)NCC[N@@H+]2CC1CC1 ZINC000096230194 407254252 /nfs/dbraw/zinc/25/42/52/407254252.db2.gz RQOWRZMSUGMNQQ-UHFFFAOYSA-N 1 1 317.389 1.096 40 0 DDABMO CN(C)C(=O)CO[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]21 ZINC000096248990 407256142 /nfs/dbraw/zinc/25/61/42/407256142.db2.gz OPABICYDYGRDAD-ARFHVFGLSA-N 1 1 320.437 1.125 40 0 DDABMO O=C(N1CCCO1)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccccc1)C2 ZINC000096038837 407224200 /nfs/dbraw/zinc/22/42/00/407224200.db2.gz NNCCCDQDXSOEON-SJLPKXTDSA-N 1 1 316.401 1.832 40 0 DDABMO CN(C)C(=O)COC[C@]12CCCO[C@H]1CC[N@H+](C1CCC1)C2 ZINC000096039797 407225541 /nfs/dbraw/zinc/22/55/41/407225541.db2.gz XYZHAQHMYXBJQV-DOTOQJQBSA-N 1 1 310.438 1.515 40 0 DDABMO CC(C)[N@H+]1CCOC[C@@]2(CN(Cc3ccccn3)CCO2)C1 ZINC000096049734 407228544 /nfs/dbraw/zinc/22/85/44/407228544.db2.gz QIBDBACFVRQNPX-QGZVFWFLSA-N 1 1 305.422 1.393 40 0 DDABMO Cn1cc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cn1 ZINC000096056410 407229926 /nfs/dbraw/zinc/22/99/26/407229926.db2.gz FHGGPJVKIBCORM-BRWVUGGUSA-N 1 1 305.422 1.969 40 0 DDABMO CN(C)C(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096064824 407232560 /nfs/dbraw/zinc/23/25/60/407232560.db2.gz FUDUGBVAMJDUAK-NVXWUHKLSA-N 1 1 306.381 1.895 40 0 DDABMO c1cnc(N2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)nc1 ZINC000096062337 407233209 /nfs/dbraw/zinc/23/32/09/407233209.db2.gz UIRSOPVXDMEQDK-QGZVFWFLSA-N 1 1 318.421 1.184 40 0 DDABMO Cn1nc(C[NH+](C)C)c2c1CN(C(=O)c1ccsc1)CC2 ZINC000096084160 407235738 /nfs/dbraw/zinc/23/57/38/407235738.db2.gz VNWKWOVCDCRSLC-UHFFFAOYSA-N 1 1 304.419 1.742 40 0 DDABMO COCC[N@H+]1C[C@H]2[C@@H](C1)N(Cc1ccc(C)o1)CC[C@@H]2OC ZINC000096109420 407238153 /nfs/dbraw/zinc/23/81/53/407238153.db2.gz BHUIVLPQQVXPIZ-BBWFWOEESA-N 1 1 308.422 1.756 40 0 DDABMO Cn1ccnc1C[N@H+]1C[C@H]2CN(C(=O)c3cccnc3)C[C@H]2C1 ZINC000096182237 407243622 /nfs/dbraw/zinc/24/36/22/407243622.db2.gz DXFDBSBZAIZVJA-GASCZTMLSA-N 1 1 311.389 1.019 40 0 DDABMO Cn1ccnc1C[N@@H+]1C[C@H]2CN(C(=O)c3cccnc3)C[C@H]2C1 ZINC000096182237 407243624 /nfs/dbraw/zinc/24/36/24/407243624.db2.gz DXFDBSBZAIZVJA-GASCZTMLSA-N 1 1 311.389 1.019 40 0 DDABMO Cc1nc(CN2C(=O)C[C@H]3[C@H]2CC[N@H+]3C[C@@H]2CCOC2)cs1 ZINC000096184053 407245059 /nfs/dbraw/zinc/24/50/59/407245059.db2.gz DAPCYYAOVCZVKH-CFVMTHIKSA-N 1 1 321.446 1.663 40 0 DDABMO C[C@H]1CCCN1C(=O)c1[nH]nc2c1C[N@@H+]([C@H]1CCOC1)CC2 ZINC000107208257 407370906 /nfs/dbraw/zinc/37/09/06/407370906.db2.gz KOJMXNNWQJMJLY-RYUDHWBXSA-N 1 1 304.394 1.181 40 0 DDABMO C[C@H]1CCCN1C(=O)c1[nH]nc2c1C[N@H+]([C@H]1CCOC1)CC2 ZINC000107208257 407370908 /nfs/dbraw/zinc/37/09/08/407370908.db2.gz KOJMXNNWQJMJLY-RYUDHWBXSA-N 1 1 304.394 1.181 40 0 DDABMO Cc1cc(C(=O)N2CCC3(CC2)C[C@H]([NH+](C)C)CCO3)n[nH]1 ZINC000108526185 407386906 /nfs/dbraw/zinc/38/69/06/407386906.db2.gz BPKRJIGLBOAVBW-CYBMUJFWSA-N 1 1 306.410 1.434 40 0 DDABMO CNc1cncc(C[C@@H]2COCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000257242347 407512301 /nfs/dbraw/zinc/51/23/01/407512301.db2.gz ICBHMNBNPZTLRO-AWEZNQCLSA-N 1 1 313.405 1.604 40 0 DDABMO C[C@]1(C(=O)NCCO)CCC[N@H+]1Cc1ccc(OCCF)cc1 ZINC000257264976 407526977 /nfs/dbraw/zinc/52/69/77/407526977.db2.gz LWUJTFCRKVEXDZ-QGZVFWFLSA-N 1 1 324.396 1.498 40 0 DDABMO O=C(C[C@@H]1[NH2+][C@@H]2CCCC[C@H]2NC1=O)NCCc1ccccc1 ZINC000250813329 408779622 /nfs/dbraw/zinc/77/96/22/408779622.db2.gz MQKUHIPEHCLZFL-OAGGEKHMSA-N 1 1 315.417 1.135 40 0 DDABMO CC(=O)N1C[C@H]2[C@H](C1)c1nc(N(C)C)ncc1C[N@@H+]2CC1CC1 ZINC000306123323 409771960 /nfs/dbraw/zinc/77/19/60/409771960.db2.gz AKCHKVVHSBKJNA-GJZGRUSLSA-N 1 1 315.421 1.083 40 0 DDABMO CC(=O)N1C[C@H]2[C@H](C1)c1nc(N(C)C)ncc1C[N@H+]2CC1CC1 ZINC000306123323 409771966 /nfs/dbraw/zinc/77/19/66/409771966.db2.gz AKCHKVVHSBKJNA-GJZGRUSLSA-N 1 1 315.421 1.083 40 0 DDABMO CC(C)[N@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2OCc1cccnc1 ZINC000306127722 529106952 /nfs/dbraw/zinc/10/69/52/529106952.db2.gz GFOKYEMGPMGZIB-BZUAXINKSA-N 1 1 324.446 1.494 40 0 DDABMO Fc1cccc(F)c1NC(=S)NCCC[NH+]1CCOCC1 ZINC000225585638 186280282 /nfs/dbraw/zinc/28/02/82/186280282.db2.gz LDQFPLYPEYXNTA-UHFFFAOYSA-N 1 1 315.389 1.974 40 0 DDABMO CCS(=O)(=O)N1CCC[C@@H](c2cc(C[NH+](C)C)n(C)n2)C1 ZINC000019709009 352168660 /nfs/dbraw/zinc/16/86/60/352168660.db2.gz APNJFYWEPPHTOI-GFCCVEGCSA-N 1 1 314.455 1.011 40 0 DDABMO Cn1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000054809183 352704995 /nfs/dbraw/zinc/70/49/95/352704995.db2.gz PMFLLFYUOWYPNJ-INIZCTEOSA-N 1 1 313.405 1.618 40 0 DDABMO Cn1cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000054809183 352704997 /nfs/dbraw/zinc/70/49/97/352704997.db2.gz PMFLLFYUOWYPNJ-INIZCTEOSA-N 1 1 313.405 1.618 40 0 DDABMO COCc1nnc2n1CC[N@@H+](Cc1cccnc1OC)[C@H](C)C2 ZINC000585098723 354805740 /nfs/dbraw/zinc/80/57/40/354805740.db2.gz XYPHKHIDFYZLOT-GFCCVEGCSA-N 1 1 317.393 1.275 40 0 DDABMO COCc1nnc2n1CC[N@H+](Cc1cccnc1OC)[C@H](C)C2 ZINC000585098723 354805742 /nfs/dbraw/zinc/80/57/42/354805742.db2.gz XYPHKHIDFYZLOT-GFCCVEGCSA-N 1 1 317.393 1.275 40 0 DDABMO CC(C)[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2cscn2)C1 ZINC000585112244 354810420 /nfs/dbraw/zinc/81/04/20/354810420.db2.gz LTJRYIMELJNBEK-LBPRGKRZSA-N 1 1 319.434 1.925 40 0 DDABMO CC(C)[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2cscn2)C1 ZINC000585112244 354810423 /nfs/dbraw/zinc/81/04/23/354810423.db2.gz LTJRYIMELJNBEK-LBPRGKRZSA-N 1 1 319.434 1.925 40 0 DDABMO COCc1ccc(C[N@@H+](CC(C)C)[C@@H]2COC[C@@H](O)[C@H]2O)o1 ZINC000585290443 354825112 /nfs/dbraw/zinc/82/51/12/354825112.db2.gz DAJIHONISIDKOI-OAGGEKHMSA-N 1 1 313.394 1.005 40 0 DDABMO C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290808 354825172 /nfs/dbraw/zinc/82/51/72/354825172.db2.gz GOOWLVRBMXIPKG-HONMWMINSA-N 1 1 320.216 1.793 40 0 DDABMO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000257276950 203006641 /nfs/dbraw/zinc/00/66/41/203006641.db2.gz NVWAEABWBABROH-KRWDZBQOSA-N 1 1 316.405 1.482 40 0 DDABMO CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000096064342 193515387 /nfs/dbraw/zinc/51/53/87/193515387.db2.gz BYYQOGVMURFGFE-YESZJQIVSA-N 1 1 317.433 1.795 40 0 DDABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1c[nH]nc1-c1cccs1 ZINC000019575212 182130913 /nfs/dbraw/zinc/13/09/13/182130913.db2.gz DHPFLFPLWJXGMT-MRVWCRGKSA-N 1 1 318.446 1.778 40 0 DDABMO Cc1nn(C)cc1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000019658830 182135126 /nfs/dbraw/zinc/13/51/26/182135126.db2.gz IUWOZZJFEJBXHU-CYBMUJFWSA-N 1 1 302.382 1.028 40 0 DDABMO Cc1nn(C)cc1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000019658830 182135128 /nfs/dbraw/zinc/13/51/28/182135128.db2.gz IUWOZZJFEJBXHU-CYBMUJFWSA-N 1 1 302.382 1.028 40 0 DDABMO CC(=O)N1CCc2nnc([C@H]3CCC[N@H+]3C3CCCC3)n2CC1 ZINC000019708306 182137341 /nfs/dbraw/zinc/13/73/41/182137341.db2.gz AVTZDHRABDGYLW-OAHLLOKOSA-N 1 1 317.437 1.762 40 0 DDABMO O=c1[nH]c(N2CCCC2)nc2c1C[N@@H+](Cc1cccs1)CC2 ZINC000012145345 406837529 /nfs/dbraw/zinc/83/75/29/406837529.db2.gz WBHMMBASIFDESZ-UHFFFAOYSA-N 1 1 316.430 1.990 40 0 DDABMO COC[C@H]1CN(C(=O)CCc2ccc(F)cc2)CC[N@@H+](C)C1 ZINC000072343701 406881600 /nfs/dbraw/zinc/88/16/00/406881600.db2.gz WHWOBLLWALHJLP-OAHLLOKOSA-N 1 1 308.397 1.795 40 0 DDABMO COC(=O)[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000035622893 406974437 /nfs/dbraw/zinc/97/44/37/406974437.db2.gz QDXPEJJDZLXRNQ-RYUDHWBXSA-N 1 1 300.399 1.785 40 0 DDABMO CCc1ccccc1N1C(=O)C[C@H](N2CC[NH+](CC)CC2)C1=O ZINC000036633894 406981464 /nfs/dbraw/zinc/98/14/64/406981464.db2.gz VZFJVFRLQAHEFJ-INIZCTEOSA-N 1 1 315.417 1.518 40 0 DDABMO COC[C@@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)Cc1ccccc1)C2 ZINC000096217889 407251912 /nfs/dbraw/zinc/25/19/12/407251912.db2.gz UAQXUYMKMUVQTC-FUHWJXTLSA-N 1 1 302.418 1.656 40 0 DDABMO O=C(c1ccoc1)N1CCO[C@@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228913 407253624 /nfs/dbraw/zinc/25/36/24/407253624.db2.gz QYQKUYOGGNAFJX-KRWDZBQOSA-N 1 1 320.389 1.233 40 0 DDABMO O=C(c1ccccn1)N1CCC2(CC1)COCC[N@H+]2CC1CC1 ZINC000096226211 407253892 /nfs/dbraw/zinc/25/38/92/407253892.db2.gz QGBWDJQFIXSNCD-UHFFFAOYSA-N 1 1 315.417 1.799 40 0 DDABMO Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3O2)n1 ZINC000096058239 407230349 /nfs/dbraw/zinc/23/03/49/407230349.db2.gz KXYIQYSASYLULR-MELADBBJSA-N 1 1 303.366 1.464 40 0 DDABMO Cc1noc([C@@H]2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3O2)n1 ZINC000096058239 407230351 /nfs/dbraw/zinc/23/03/51/407230351.db2.gz KXYIQYSASYLULR-MELADBBJSA-N 1 1 303.366 1.464 40 0 DDABMO CN(C)C(=O)C[C@@H]1COC[C@H]2C[N@@H+](Cc3cccs3)C[C@H]21 ZINC000096057183 407230462 /nfs/dbraw/zinc/23/04/62/407230462.db2.gz UUJRPZDFMVCHOT-NFAWXSAZSA-N 1 1 308.447 1.921 40 0 DDABMO 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CC(=O)NCc1c[nH]c([C@@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)n1 ZINC000257321772 203045916 /nfs/dbraw/zinc/04/59/16/203045916.db2.gz WDEDWIRHMQQXQL-GFCCVEGCSA-N 1 1 317.368 1.569 40 0 DDABMO CC(=O)NCc1cnc([C@@H]2CC[N@H+](Cc3ccc(F)cn3)C2)[nH]1 ZINC000257321772 203045919 /nfs/dbraw/zinc/04/59/19/203045919.db2.gz WDEDWIRHMQQXQL-GFCCVEGCSA-N 1 1 317.368 1.569 40 0 DDABMO CC(=O)NCc1cnc([C@@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)[nH]1 ZINC000257321772 203045921 /nfs/dbraw/zinc/04/59/21/203045921.db2.gz WDEDWIRHMQQXQL-GFCCVEGCSA-N 1 1 317.368 1.569 40 0 DDABMO COCCC(=O)N1CCC[C@@H](c2cc(C[NH+](C)C)n(C)n2)C1 ZINC000019709035 182137147 /nfs/dbraw/zinc/13/71/47/182137147.db2.gz XROCLNNPKHJGTJ-CYBMUJFWSA-N 1 1 308.426 1.224 40 0 DDABMO O=C(C[NH+]1CCC(c2ccccc2F)CC1)N1CCOCC1 ZINC000012113934 406836194 /nfs/dbraw/zinc/83/61/94/406836194.db2.gz PTHKYONJQPGIQZ-UHFFFAOYSA-N 1 1 306.381 1.864 40 0 DDABMO O=S(=O)(c1ccc(Cl)c2cnccc21)N1CC[NH2+]CC1 ZINC000035024397 406966802 /nfs/dbraw/zinc/96/68/02/406966802.db2.gz DIVCZQBJKQHGPC-UHFFFAOYSA-N 1 1 311.794 1.482 40 0 in-vitro DDABMO O=C(NCC1CC1)C1=NO[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000096225473 407253007 /nfs/dbraw/zinc/25/30/07/407253007.db2.gz QBPUWSHJYFWKOB-MRXNPFEDSA-N 1 1 319.430 1.995 40 0 DDABMO O=C(NCC1CC1)C1=NO[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096225473 407253010 /nfs/dbraw/zinc/25/30/10/407253010.db2.gz QBPUWSHJYFWKOB-MRXNPFEDSA-N 1 1 319.430 1.995 40 0 DDABMO Cc1ccc(C[N@@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)s1 ZINC000096245246 407254874 /nfs/dbraw/zinc/25/48/74/407254874.db2.gz PQUZWWYAAOWQJF-WFASDCNBSA-N 1 1 316.430 1.885 40 0 DDABMO COc1ccc(CN2C[C@@H]3C[N@H+]([C@@H]4CCOC4)C[C@@H]3C2=O)cc1 ZINC000096245347 407256516 /nfs/dbraw/zinc/25/65/16/407256516.db2.gz RWGAWMYRLAUOJZ-UXLLHSPISA-N 1 1 316.401 1.374 40 0 DDABMO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cnn(C)c3)O2)n1 ZINC000096057516 407230418 /nfs/dbraw/zinc/23/04/18/407230418.db2.gz APLWSNISFPRNRN-MGPQQGTHSA-N 1 1 303.366 1.606 40 0 DDABMO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3cnn(C)c3)O2)n1 ZINC000096057516 407230420 /nfs/dbraw/zinc/23/04/20/407230420.db2.gz APLWSNISFPRNRN-MGPQQGTHSA-N 1 1 303.366 1.606 40 0 DDABMO c1cncc(O[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3C2CCOCC2)c1 ZINC000096065807 407232795 /nfs/dbraw/zinc/23/27/95/407232795.db2.gz PEWXLNSLDSFBKY-GVDBMIGSSA-N 1 1 304.390 1.871 40 0 DDABMO c1cncc(O[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3C2CCOCC2)c1 ZINC000096065807 407232797 /nfs/dbraw/zinc/23/27/97/407232797.db2.gz PEWXLNSLDSFBKY-GVDBMIGSSA-N 1 1 304.390 1.871 40 0 DDABMO O=C(c1cccnc1)N1CC[N@H+]2C[C@H](Oc3cccnc3)C[C@H]2C1 ZINC000096063768 407233265 /nfs/dbraw/zinc/23/32/65/407233265.db2.gz BAEIHUCXJHLSKM-DOTOQJQBSA-N 1 1 324.384 1.454 40 0 DDABMO C[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)c3ccco3)CC[C@@H]21 ZINC000096064421 407233282 /nfs/dbraw/zinc/23/32/82/407233282.db2.gz ORPYOOZNAKKONO-ILXRZTDVSA-N 1 1 314.389 1.711 40 0 DDABMO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@H](C1)O2 ZINC000096083525 407235762 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DDABMO CC(C)[N@@H+](C)C[C@H]1Cn2ccnc2CN(C[C@@H]2CCOC2)C1 ZINC000096188331 279384419 /nfs/dbraw/zinc/38/44/19/279384419.db2.gz GIYJHOGSPCGPSI-JKSUJKDBSA-N 1 1 306.454 1.692 40 0 DDABMO CN(C)C(=O)[C@@]1(C)C[N@@H+](Cc2c[nH]c3ccccc23)CCO1 ZINC000072379554 191140839 /nfs/dbraw/zinc/14/08/39/191140839.db2.gz ICISXCBVABBBKQ-QGZVFWFLSA-N 1 1 301.390 1.847 40 0 DDABMO C[C@H](Oc1ccccc1)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000072782074 191229035 /nfs/dbraw/zinc/22/90/35/191229035.db2.gz OJROOLGUDCHHIY-HNNXBMFYSA-N 1 1 305.422 1.208 40 0 DDABMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc3[nH]ccc3c2)CC[C@@H]1O ZINC000585260793 354817826 /nfs/dbraw/zinc/81/78/26/354817826.db2.gz GVOYLYLXPMKPFC-IRXDYDNUSA-N 1 1 301.390 1.629 40 0 DDABMO CO[C@@H]1CC[N@H+](Cc2ncccc2F)C[C@H]1CC(=O)N(C)C ZINC000585276497 354820773 /nfs/dbraw/zinc/82/07/73/354820773.db2.gz KICLMSCMVHSWQY-IUODEOHRSA-N 1 1 309.385 1.536 40 0 DDABMO CO[C@@H]1CC[N@@H+](Cc2ncccc2F)C[C@H]1CC(=O)N(C)C ZINC000585276497 354820776 /nfs/dbraw/zinc/82/07/76/354820776.db2.gz KICLMSCMVHSWQY-IUODEOHRSA-N 1 1 309.385 1.536 40 0 DDABMO O=C(C[N@@H+]1CC[C@H](Cc2ccccc2F)[C@H](O)C1)NC1CCC1 ZINC000585279448 354822420 /nfs/dbraw/zinc/82/24/20/354822420.db2.gz MKXOFALDQLXRBM-RHSMWYFYSA-N 1 1 320.408 1.720 40 0 DDABMO O=C(C[N@H+]1CC[C@H](Cc2ccccc2F)[C@H](O)C1)NC1CCC1 ZINC000585279448 354822424 /nfs/dbraw/zinc/82/24/24/354822424.db2.gz MKXOFALDQLXRBM-RHSMWYFYSA-N 1 1 320.408 1.720 40 0 DDABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ncccc1F ZINC000585291695 354826095 /nfs/dbraw/zinc/82/60/95/354826095.db2.gz BEXNAZTVYSFNIY-KBRIMQKVSA-N 1 1 320.339 1.681 40 0 DDABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ncccc1F ZINC000585291695 354826097 /nfs/dbraw/zinc/82/60/97/354826097.db2.gz BEXNAZTVYSFNIY-KBRIMQKVSA-N 1 1 320.339 1.681 40 0 DDABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2ccc(OC(C)C)cc2)[C@@H]1O ZINC000585292239 354826439 /nfs/dbraw/zinc/82/64/39/354826439.db2.gz ZDYRHYNVLDQIHR-ZACQAIPSSA-N 1 1 309.406 1.680 40 0 DDABMO COC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000255187832 284010759 /nfs/dbraw/zinc/01/07/59/284010759.db2.gz HAWFJOPCIMCWLG-OLZOCXBDSA-N 1 1 312.410 1.881 40 0 DDABMO c1ccc(OC[C@@H]2C[C@H]3OCC[N@@H+](C[C@H]4CCOC4)[C@@H]3C2)nc1 ZINC000253596842 202902873 /nfs/dbraw/zinc/90/28/73/202902873.db2.gz WJPYGEFZEDYKRP-YYIAUSFCSA-N 1 1 318.417 1.976 40 0 DDABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cccnn1)C2 ZINC000257277044 203005636 /nfs/dbraw/zinc/00/56/36/203005636.db2.gz NWFVZMCLWMDLMM-FAYQHZLMSA-N 1 1 300.406 1.954 40 0 DDABMO CNc1ncccc1C[N@H+]1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257330578 203054002 /nfs/dbraw/zinc/05/40/02/203054002.db2.gz XOZCQWIBSABEBK-AWEZNQCLSA-N 1 1 313.405 1.604 40 0 DDABMO COCCN1C(=O)CO[C@H]2C[N@H+](CCCc3ccccc3)C[C@H]21 ZINC000067897284 184490789 /nfs/dbraw/zinc/49/07/89/184490789.db2.gz PYENYHOLAUJHER-SJORKVTESA-N 1 1 318.417 1.177 40 0 biogenic,in-vitro DDABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@H]2c2ccco2)cc1OC ZINC000072227064 257123603 /nfs/dbraw/zinc/12/36/03/257123603.db2.gz FRSNDYLJWQTRKO-LSDHHAIUSA-N 1 1 302.330 1.708 40 0 DDABMO CN1C(SCc2cccc(F)c2)=[NH+][C@H]2CS(=O)(=O)C[C@H]21 ZINC000032508601 406949077 /nfs/dbraw/zinc/94/90/77/406949077.db2.gz LIALJBVTXUSRQB-NWDGAFQWSA-N 1 1 314.407 1.526 40 0 DDABMO O=C([C@H]1CO[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]12)N1CCCCO1 ZINC000096216448 407251379 /nfs/dbraw/zinc/25/13/79/407251379.db2.gz GFFMDPYHVZEUCH-OWCLPIDISA-N 1 1 317.389 1.082 40 0 DDABMO Cn1cc(N2CC[C@@]3(CCC[N@H+](C4CCOCC4)C3)C2=O)cn1 ZINC000096224629 407253306 /nfs/dbraw/zinc/25/33/06/407253306.db2.gz CAPFXKSPNGCHDZ-QGZVFWFLSA-N 1 1 318.421 1.418 40 0 DDABMO Cc1cc(C(=O)N2CC[C@@H]3C[N@@H+](CC4CC4)CCO[C@@H]3C2)no1 ZINC000096249658 407256168 /nfs/dbraw/zinc/25/61/68/407256168.db2.gz ZEABJIGFHRUYOL-GDBMZVCRSA-N 1 1 319.405 1.556 40 0 DDABMO C(OCC1CC1)c1nnn2c1C[N@@H+](C[C@@H]1CCOC1)CCC2 ZINC000096256079 407256934 /nfs/dbraw/zinc/25/69/34/407256934.db2.gz UNHZKNSMVLBQDK-AWEZNQCLSA-N 1 1 306.410 1.447 40 0 DDABMO COCC[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NCc2cccs2)C1 ZINC000096038799 407224498 /nfs/dbraw/zinc/22/44/98/407224498.db2.gz NFPYHNZDHPMGEL-GDBMZVCRSA-N 1 1 324.446 1.492 40 0 DDABMO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@@H+](CCc3ccccc3)C[C@H]2O1 ZINC000096042912 407226014 /nfs/dbraw/zinc/22/60/14/407226014.db2.gz XCZKBXXYVNWXFG-YESZJQIVSA-N 1 1 302.418 1.797 40 0 DDABMO C[NH+](C)C[C@@H]1CO[C@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000096051924 407228043 /nfs/dbraw/zinc/22/80/43/407228043.db2.gz AHMCWAIJFFOKDU-CVEARBPZSA-N 1 1 310.463 1.917 40 0 DDABMO C[NH+](C)C[C@H]1CO[C@@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000096051925 407228533 /nfs/dbraw/zinc/22/85/33/407228533.db2.gz AHMCWAIJFFOKDU-JKSUJKDBSA-N 1 1 310.463 1.917 40 0 DDABMO Cc1noc(C[C@@H]2COC[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]32)n1 ZINC000096057255 407230985 /nfs/dbraw/zinc/23/09/85/407230985.db2.gz HFPFAHHFKRHIMX-OAGGEKHMSA-N 1 1 314.389 1.710 40 0 DDABMO Cc1ccc(C[N@H+]2C[C@@H](C(=O)NC3CC3)C[C@H]3OCC[C@H]32)o1 ZINC000096057659 407231136 /nfs/dbraw/zinc/23/11/36/407231136.db2.gz QXZVCJKINJSWQY-APHBMKBZSA-N 1 1 304.390 1.846 40 0 DDABMO COCC[N@H+]1CCCC12CCN(Cc1cc(C)nn1C)CC2 ZINC000096075217 407235195 /nfs/dbraw/zinc/23/51/95/407235195.db2.gz YOAZVBGEOGKYJA-UHFFFAOYSA-N 1 1 306.454 1.805 40 0 DDABMO c1cnc(N2CCC[C@@]3(C2)C[N@H+](C2CCOCC2)CCO3)cn1 ZINC000096074843 407235285 /nfs/dbraw/zinc/23/52/85/407235285.db2.gz BHJZATLPSWVYPL-KRWDZBQOSA-N 1 1 318.421 1.327 40 0 DDABMO CO[C@@H]1CCN(C(=O)C2CC2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096108581 407237230 /nfs/dbraw/zinc/23/72/30/407237230.db2.gz RFVFEZFVGJGKGZ-GVDBMIGSSA-N 1 1 315.417 1.539 40 0 DDABMO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc4ccccc4o3)C[C@@H]2C1 ZINC000096107947 407238072 /nfs/dbraw/zinc/23/80/72/407238072.db2.gz AALIAWRCLHSVFW-XJKSGUPXSA-N 1 1 300.358 1.835 40 0 DDABMO CN(Cc1ccccn1)C(=O)[C@H]1C[C@H]2[C@H](CC[N@H+]2CC2CC2)O1 ZINC000096183725 407244686 /nfs/dbraw/zinc/24/46/86/407244686.db2.gz AERLAZQRXHFRGP-YESZJQIVSA-N 1 1 315.417 1.682 40 0 DDABMO Cn1ccnc1CN1C(=O)CO[C@H]2C[N@@H+](C3CCCCC3)C[C@H]21 ZINC000067897327 407289549 /nfs/dbraw/zinc/28/95/49/407289549.db2.gz YDBLBZHTMONTES-CABCVRRESA-N 1 1 318.421 1.164 40 0 biogenic,in-vitro DDABMO O=C(c1ccno1)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CCOCC1 ZINC000107199417 407370303 /nfs/dbraw/zinc/37/03/03/407370303.db2.gz KYDBRHKQCJZROU-UONOGXRCSA-N 1 1 305.378 1.390 40 0 DDABMO COCCN1CC[C@]2(CCC[N@@H+](Cc3cncn3C)CC2)C1=O ZINC000108532330 407387521 /nfs/dbraw/zinc/38/75/21/407387521.db2.gz WAUZXGRGZFQJRF-QGZVFWFLSA-N 1 1 320.437 1.271 40 0 DDABMO Cc1ccnc(O[C@@H]2CCOC3(C[NH+](C4CCOCC4)C3)C2)n1 ZINC000253478774 407452187 /nfs/dbraw/zinc/45/21/87/407452187.db2.gz NBRDPONKSDZCGM-OAHLLOKOSA-N 1 1 319.405 1.576 40 0 DDABMO CC[NH+](CC)Cc1nc(C2(O)CCN(C(C)=O)CC2)cs1 ZINC000225463857 407586945 /nfs/dbraw/zinc/58/69/45/407586945.db2.gz NLMAJGVVZREKST-UHFFFAOYSA-N 1 1 311.451 1.815 40 0 biogenic,in-vitro DDABMO Cc1cccc(CN2CCO[C@H](c3nc(C[NH+](C)C)c[nH]3)C2)n1 ZINC000257248864 407517313 /nfs/dbraw/zinc/51/73/13/407517313.db2.gz JFOAVQPOTJSOTA-INIZCTEOSA-N 1 1 315.421 1.748 40 0 DDABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC ZINC000218596117 407521349 /nfs/dbraw/zinc/52/13/49/407521349.db2.gz AIFNAENWTBVKJZ-MELADBBJSA-N 1 1 301.383 1.460 40 0 DDABMO CC(=O)N1CC[N@H+](Cc2ccccc2Cl)C[C@@H](C(N)=O)C1 ZINC000257260623 407523518 /nfs/dbraw/zinc/52/35/18/407523518.db2.gz LDQXOKWCXGZKMD-CYBMUJFWSA-N 1 1 309.797 1.106 40 0 DDABMO CC(=O)N1CC[N@@H+](Cc2ccccc2Cl)C[C@@H](C(N)=O)C1 ZINC000257260623 407523524 /nfs/dbraw/zinc/52/35/24/407523524.db2.gz LDQXOKWCXGZKMD-CYBMUJFWSA-N 1 1 309.797 1.106 40 0 DDABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1cccnc1)C2 ZINC000225494660 407590658 /nfs/dbraw/zinc/59/06/58/407590658.db2.gz BZNADOLSLQILQI-KRWDZBQOSA-N 1 1 312.417 1.988 40 0 biogenic,in-vitro DDABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1cccnc1)C2 ZINC000225494660 407590663 /nfs/dbraw/zinc/59/06/63/407590663.db2.gz BZNADOLSLQILQI-KRWDZBQOSA-N 1 1 312.417 1.988 40 0 biogenic,in-vitro DDABMO C[N@H+]1CC[C@@]2(C1)COCCN(C(=O)CCc1ccccc1)C2 ZINC000096201954 277159033 /nfs/dbraw/zinc/15/90/33/277159033.db2.gz DHSRCWFPMHFYMB-SFHVURJKSA-N 1 1 302.418 1.800 40 0 DDABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(S(C)(=O)=O)CC2 ZINC000096051776 293189883 /nfs/dbraw/zinc/18/98/83/293189883.db2.gz LMYHGBPGQDYLQM-CYBMUJFWSA-N 1 1 304.456 1.157 40 0 DDABMO Cc1ccc(O[C@H](C)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000047465724 332300864 /nfs/dbraw/zinc/30/08/64/332300864.db2.gz ONDKNMZBLJXZSE-OAHLLOKOSA-N 1 1 306.406 1.601 40 0 DDABMO COC[C@@H]1CC[N@H+](C)C2(CN(C(=O)c3n[nH]c4c3CCC4)C2)C1 ZINC000306127699 231085276 /nfs/dbraw/zinc/08/52/76/231085276.db2.gz GFDSYCDMWKMHBI-GFCCVEGCSA-N 1 1 318.421 1.081 40 0 DDABMO COC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)c3n[nH]c4c3CCC4)C2)C1 ZINC000306127699 231085279 /nfs/dbraw/zinc/08/52/79/231085279.db2.gz GFDSYCDMWKMHBI-GFCCVEGCSA-N 1 1 318.421 1.081 40 0 DDABMO C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306135755 529823938 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HRFFRDCRPOPCDA-SFHVURJKSA-N 1 1 318.417 1.909 40 0 DDABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1F ZINC000009483974 406809404 /nfs/dbraw/zinc/80/94/04/406809404.db2.gz WNMDWAYEDDPLPG-MELADBBJSA-N 1 1 305.353 1.554 40 0 DDABMO C[N@H+]1CCC[C@H](NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000012195210 406838756 /nfs/dbraw/zinc/83/87/56/406838756.db2.gz LVYSOSRQPZVRJQ-NSHDSACASA-N 1 1 323.780 1.458 40 0 DDABMO C[NH+]1CCN(C(=O)[C@H](c2ccccc2)C2(O)CCCC2)CC1 ZINC000031689409 406941888 /nfs/dbraw/zinc/94/18/88/406941888.db2.gz KZUQINWUNHPGFL-INIZCTEOSA-N 1 1 302.418 1.849 40 0 DDABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(S(C)(=O)=O)C3)o1 ZINC000096215476 407251044 /nfs/dbraw/zinc/25/10/44/407251044.db2.gz SUZHTKYZALBZSM-OAHLLOKOSA-N 1 1 312.435 1.836 40 0 DDABMO CCOCC(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC000096215863 407251171 /nfs/dbraw/zinc/25/11/71/407251171.db2.gz OMIPIGQEWAHQNN-DOTOQJQBSA-N 1 1 310.438 1.230 40 0 DDABMO Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@@H](CC(=O)N(C)C)O[C@@H]2C1 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302.422 1.939 40 0 DDABMO O=C(NCC1CC1)[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]1O2 ZINC000096252992 407257059 /nfs/dbraw/zinc/25/70/59/407257059.db2.gz SDIQSBHOIWOMAT-IXDOHACOSA-N 1 1 300.402 1.802 40 0 DDABMO O=C(NCC1CC1)[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]1O2 ZINC000096252992 407257061 /nfs/dbraw/zinc/25/70/61/407257061.db2.gz SDIQSBHOIWOMAT-IXDOHACOSA-N 1 1 300.402 1.802 40 0 DDABMO Cn1ccnc1C[N@@H+]1CCc2ncnc(NC3CCC3)c2CC1 ZINC000096255754 407257466 /nfs/dbraw/zinc/25/74/66/407257466.db2.gz FFYGBVDGPIVTJH-UHFFFAOYSA-N 1 1 312.421 1.775 40 0 DDABMO Cn1ccnc1C[N@H+]1CCc2ncnc(NC3CCC3)c2CC1 ZINC000096255754 407257467 /nfs/dbraw/zinc/25/74/67/407257467.db2.gz FFYGBVDGPIVTJH-UHFFFAOYSA-N 1 1 312.421 1.775 40 0 DDABMO O=C([C@H]1C[C@@H]2CC[N@@H+](CC3CCOCC3)C[C@H]2O1)N1CCCO1 ZINC000096042882 407225908 /nfs/dbraw/zinc/22/59/08/407225908.db2.gz GIQRNOJSEHGOQU-ARFHVFGLSA-N 1 1 324.421 1.056 40 0 DDABMO COCC(=O)N1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC000096048031 407227181 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408814892 /nfs/dbraw/zinc/81/48/92/408814892.db2.gz NYFZHMYRHIAVTG-AWEZNQCLSA-N 1 1 323.462 1.086 40 0 biogenic,in-vitro DDABMO C[NH+](C)CCN(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000575420018 422296482 /nfs/dbraw/zinc/29/64/82/422296482.db2.gz DFFDXVYBLRYZEN-OAHLLOKOSA-N 1 1 314.426 1.376 40 0 DDABMO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3scnc3C)C[C@H]21 ZINC000096043330 277245145 /nfs/dbraw/zinc/24/51/45/277245145.db2.gz IZBZASIUIJIVHJ-FRRDWIJNSA-N 1 1 309.435 1.425 40 0 DDABMO CC(=O)N1[C@@H](c2ccccc2)C[C@H]2[C@H]1CCCC[N@H+]2CC(N)=O ZINC000257309666 278075271 /nfs/dbraw/zinc/07/52/71/278075271.db2.gz UBWUYOQDXFTGOC-ZACQAIPSSA-N 1 1 315.417 1.688 40 0 DDABMO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCCC1 ZINC000257300350 290289530 /nfs/dbraw/zinc/28/95/30/290289530.db2.gz RTYOEVCLDZIVJH-UIBIWLFHSA-N 1 1 305.466 1.946 40 0 DDABMO C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCCC1 ZINC000257300350 290289533 /nfs/dbraw/zinc/28/95/33/290289533.db2.gz 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Cc1cc(C(=O)N2CCn3c(C[N@H+](C)C(C)C)cnc3C2)no1 ZINC000096201067 407248642 /nfs/dbraw/zinc/24/86/42/407248642.db2.gz ZBDMFDZRQGPXAN-UHFFFAOYSA-N 1 1 317.393 1.676 40 0 DDABMO CN(C)C(=O)N[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccncc3)C2)C1 ZINC000096208556 407250601 /nfs/dbraw/zinc/25/06/01/407250601.db2.gz LOXOWQVRVZSLCX-DOTOQJQBSA-N 1 1 318.421 1.476 40 0 DDABMO C[NH+](C)Cc1cc(C[C@@H]2C[C@H](NS(C)(=O)=O)C2(C)C)no1 ZINC000067889787 407289498 /nfs/dbraw/zinc/28/94/98/407289498.db2.gz RETRIVYUPTZOEF-MFKMUULPSA-N 1 1 315.439 1.243 40 0 biogenic,in-vitro DDABMO C[C@@H]1CCCN1C(=O)c1[nH]nc2c1C[N@@H+]([C@H]1CCOC1)CC2 ZINC000107208252 407370892 /nfs/dbraw/zinc/37/08/92/407370892.db2.gz KOJMXNNWQJMJLY-NEPJUHHUSA-N 1 1 304.394 1.181 40 0 DDABMO C[C@@H]1CCCN1C(=O)c1[nH]nc2c1C[N@H+]([C@H]1CCOC1)CC2 ZINC000107208252 407370893 /nfs/dbraw/zinc/37/08/93/407370893.db2.gz KOJMXNNWQJMJLY-NEPJUHHUSA-N 1 1 304.394 1.181 40 0 DDABMO O=S(=O)(NC1CC2(C1)CC[N@@H+](Cc1cccnc1)C2)C1CC1 ZINC000108532812 407387569 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Cc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H]2O)s1 ZINC000257259560 407523365 /nfs/dbraw/zinc/52/33/65/407523365.db2.gz KYXNITQXYFULEA-YRGRVCCFSA-N 1 1 310.419 1.010 40 0 DDABMO CN(C)c1cc(CC[C@@H]2CN(Cc3cc[nH]n3)CCO2)cc[nH+]1 ZINC000257326476 407533292 /nfs/dbraw/zinc/53/32/92/407533292.db2.gz WXIZVXXOPDGCQC-MRXNPFEDSA-N 1 1 315.421 1.704 40 0 DDABMO CNC(=O)[C@@]1(C)C[N@H+](Cc2ccccc2N2CCCC2)CCO1 ZINC000257312609 407534170 /nfs/dbraw/zinc/53/41/70/407534170.db2.gz UOTVIMCFFYATOA-GOSISDBHSA-N 1 1 317.433 1.624 40 0 DDABMO CNC(=O)[C@@]1(C)C[N@@H+](Cc2ccccc2N2CCCC2)CCO1 ZINC000257312609 407534174 /nfs/dbraw/zinc/53/41/74/407534174.db2.gz UOTVIMCFFYATOA-GOSISDBHSA-N 1 1 317.433 1.624 40 0 DDABMO O=C(NCc1ccco1)[C@H]1C[N@@H+](C2CCC2)Cc2ccnn21 ZINC000247522333 408487685 /nfs/dbraw/zinc/48/76/85/408487685.db2.gz XWKRNSFCGKVPGF-OAHLLOKOSA-N 1 1 300.362 1.702 40 0 DDABMO O=C(NCc1ccco1)[C@H]1C[N@H+](C2CCC2)Cc2ccnn21 ZINC000247522333 408487687 /nfs/dbraw/zinc/48/76/87/408487687.db2.gz 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ZINC000253588601 407461878 /nfs/dbraw/zinc/46/18/78/407461878.db2.gz JYUCUCVENFJMST-KGLIPLIRSA-N 1 1 316.430 1.876 40 0 DDABMO O=C(N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1cccc(F)c1O ZINC000257260646 407524168 /nfs/dbraw/zinc/52/41/68/407524168.db2.gz LDSXGIJXOKTQFR-IIAWOOMASA-N 1 1 322.380 1.639 40 0 DDABMO Cc1nn(C)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257282175 407530106 /nfs/dbraw/zinc/53/01/06/407530106.db2.gz OSRMHJIBBLCSBJ-AWEZNQCLSA-N 1 1 320.418 1.064 40 0 DDABMO CC(=O)N1CCC([N@H+]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000257290238 407532255 /nfs/dbraw/zinc/53/22/55/407532255.db2.gz QCDAFJKYYLJMSG-GOSISDBHSA-N 1 1 301.434 1.986 40 0 DDABMO CC(=O)N1CCC(N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000257290238 407532263 /nfs/dbraw/zinc/53/22/63/407532263.db2.gz QCDAFJKYYLJMSG-GOSISDBHSA-N 1 1 301.434 1.986 40 0 DDABMO CC(=O)N1CCC(N2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000257290238 407532265 /nfs/dbraw/zinc/53/22/65/407532265.db2.gz QCDAFJKYYLJMSG-GOSISDBHSA-N 1 1 301.434 1.986 40 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/nfs/dbraw/zinc/24/85/73/407248573.db2.gz OXRAWRXBBFHOED-DLBZAZTESA-N 1 1 317.433 1.582 40 0 DDABMO Cc1noc(C)c1C[N@H+]1CC[C@@H]2[C@@H]1CC(=O)N2c1cnn(C)c1 ZINC000096205733 407249918 /nfs/dbraw/zinc/24/99/18/407249918.db2.gz ZSOCPTRJCPOECW-CABCVRRESA-N 1 1 315.377 1.405 40 0 DDABMO Cc1noc(C)c1C[N@@H+]1CC[C@@H]2[C@@H]1CC(=O)N2c1cnn(C)c1 ZINC000096205733 407249921 /nfs/dbraw/zinc/24/99/21/407249921.db2.gz ZSOCPTRJCPOECW-CABCVRRESA-N 1 1 315.377 1.405 40 0 DDABMO O=C([C@H]1COC[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21)N1CCCCO1 ZINC000097953540 407303992 /nfs/dbraw/zinc/30/39/92/407303992.db2.gz LQMCHGFKEMXPCO-OAGGEKHMSA-N 1 1 320.389 1.528 40 0 DDABMO Fc1cnc(N2CC[C@H]3[C@@H]2CC[N@H+]3CC2CCOCC2)nc1 ZINC000107199379 407370533 /nfs/dbraw/zinc/37/05/33/407370533.db2.gz GQTWSXMQMGKQPK-GJZGRUSLSA-N 1 1 306.385 1.695 40 0 DDABMO COCCN1CCO[C@H]2CC[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000108528463 407387823 /nfs/dbraw/zinc/38/78/23/407387823.db2.gz STURVVQIZJEIKM-IRXDYDNUSA-N 1 1 308.397 1.747 40 0 DDABMO CC[N@@H+](Cc1cccnc1)C[C@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257235164 407509181 /nfs/dbraw/zinc/50/91/81/407509181.db2.gz GWSHINGKKWXNIK-INIZCTEOSA-N 1 1 314.393 1.252 40 0 DDABMO O=C(CC[NH+]1CCOCC1)N1CCC[C@H](c2nccs2)C1 ZINC000257236018 407511226 /nfs/dbraw/zinc/51/12/26/407511226.db2.gz HAMYGVRAUIRRPG-ZDUSSCGKSA-N 1 1 309.435 1.571 40 0 DDABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257245216 407517904 /nfs/dbraw/zinc/51/79/04/407517904.db2.gz IONRRALLJMRISH-QGZVFWFLSA-N 1 1 313.405 1.788 40 0 DDABMO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257245216 407517912 /nfs/dbraw/zinc/51/79/12/407517912.db2.gz IONRRALLJMRISH-QGZVFWFLSA-N 1 1 313.405 1.788 40 0 DDABMO O=C1CO[C@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C[C@@H]2N1 ZINC000257254836 407521273 /nfs/dbraw/zinc/52/12/73/407521273.db2.gz KEWPZDVOXSCFDU-HOTGVXAUSA-N 1 1 324.384 1.233 40 0 DDABMO O=C1CO[C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C[C@@H]2N1 ZINC000257254836 407521277 /nfs/dbraw/zinc/52/12/77/407521277.db2.gz KEWPZDVOXSCFDU-HOTGVXAUSA-N 1 1 324.384 1.233 40 0 DDABMO CC(=O)N1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)CC[N@H+](C)C2 ZINC000257333482 407532386 /nfs/dbraw/zinc/53/23/86/407532386.db2.gz YBSQQCTXULQAHG-OAHLLOKOSA-N 1 1 317.437 1.604 40 0 DDABMO CC(=O)N1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)CC[N@@H+](C)C2 ZINC000257333482 407532392 /nfs/dbraw/zinc/53/23/92/407532392.db2.gz YBSQQCTXULQAHG-OAHLLOKOSA-N 1 1 317.437 1.604 40 0 DDABMO COCCNC(=O)[C@H]1Cn2cccc2C[N@H+](Cc2ccoc2)C1 ZINC000247824286 408511856 /nfs/dbraw/zinc/51/18/56/408511856.db2.gz FCDYPZYFBPCDIA-OAHLLOKOSA-N 1 1 317.389 1.476 40 0 DDABMO COCCNC(=O)[C@H]1Cn2cccc2C[N@@H+](Cc2ccoc2)C1 ZINC000247824286 408511858 /nfs/dbraw/zinc/51/18/58/408511858.db2.gz FCDYPZYFBPCDIA-OAHLLOKOSA-N 1 1 317.389 1.476 40 0 DDABMO COCCN1CC[N@@H+](C[C@H]2CCOC2)Cc2ccc(C)nc21 ZINC000248334737 408547433 /nfs/dbraw/zinc/54/74/33/408547433.db2.gz LWVVEEZNHPPXMD-OAHLLOKOSA-N 1 1 305.422 1.695 40 0 DDABMO COc1ccc2c3c1O[C@]1(C)[C@@H](O)C=C[C@@H]4[C@@H](C2)[N@H+](C)CC[C@@]341 ZINC000253505005 222249959 /nfs/dbraw/zinc/24/99/59/222249959.db2.gz OMGSJARTUSJECS-ZGPDXJMCSA-N 1 1 313.397 1.891 40 0 biogenic,in-vitro DDABMO C[C@]1(NCC[NH2+]Cc2ccccc2Cl)CCS(=O)(=O)C1 ZINC000575420043 422295509 /nfs/dbraw/zinc/29/55/09/422295509.db2.gz DSLWENMGZVOKJQ-AWEZNQCLSA-N 1 1 316.854 1.596 40 0 DDABMO CCOCC[N@H+]1CC[C@H]2C[C@H](C(=O)N3CCCCO3)O[C@@H]2C1 ZINC000096066167 276324382 /nfs/dbraw/zinc/32/43/82/276324382.db2.gz HLZSFSOWBKMQKI-RRFJBIMHSA-N 1 1 312.410 1.056 40 0 DDABMO COc1ncccc1C[N@H+]1CC[C@H]2[C@H]1CCN2c1ncccn1 ZINC000096184805 278094649 /nfs/dbraw/zinc/09/46/49/278094649.db2.gz GYYADBMBWZANAW-CABCVRRESA-N 1 1 311.389 1.733 40 0 DDABMO CC(C)(C)OC(=O)NC1CN([C@H](C(=[NH2+])NO)c2ccco2)C1 ZINC000409442568 545662527 /nfs/dbraw/zinc/66/25/27/545662527.db2.gz XCNZJZZEWAMSNP-NSHDSACASA-N 1 1 310.354 1.486 40 0 DDABMO Cc1cccc(NC(=O)[C@@H]2CN(C)CC3(CC[NH2+]CC3)O2)c1 ZINC000306127448 231085113 /nfs/dbraw/zinc/08/51/13/231085113.db2.gz FYWBHXJWXMCKLY-HNNXBMFYSA-N 1 1 303.406 1.386 40 0 DDABMO C[N@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@@H]2C1 ZINC000306135753 529824056 /nfs/dbraw/zinc/82/40/56/529824056.db2.gz OZUIHJUWPTWSLK-GHMZBOCLSA-N 1 1 315.352 1.403 40 0 DDABMO Cn1ccnc1C[N@@H+]1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585273708 354818527 /nfs/dbraw/zinc/81/85/27/354818527.db2.gz DLQYESGIADPEPY-ZBFHGGJFSA-N 1 1 303.381 1.985 40 0 DDABMO Cn1ccnc1C[N@H+]1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585273708 354818529 /nfs/dbraw/zinc/81/85/29/354818529.db2.gz DLQYESGIADPEPY-ZBFHGGJFSA-N 1 1 303.381 1.985 40 0 DDABMO O=C(C[N@@H+]1CCC[C@@]2(CCC(=O)O2)C1)NCc1ccc(F)cc1 ZINC000585283301 354823009 /nfs/dbraw/zinc/82/30/09/354823009.db2.gz NBFXQCIKKHKPIN-QGZVFWFLSA-N 1 1 320.364 1.614 40 0 DDABMO O=C(C[N@H+]1CCC[C@@]2(CCC(=O)O2)C1)NCc1ccc(F)cc1 ZINC000585283301 354823010 /nfs/dbraw/zinc/82/30/10/354823010.db2.gz NBFXQCIKKHKPIN-QGZVFWFLSA-N 1 1 320.364 1.614 40 0 DDABMO Cc1cccc(C(=O)NC2CC[NH+](CC(=O)NC3CC3)CC2)c1 ZINC000004910013 181171520 /nfs/dbraw/zinc/17/15/20/181171520.db2.gz SBGOGRZQYJPEBD-UHFFFAOYSA-N 1 1 315.417 1.468 40 0 DDABMO Cc1ncc(-c2nccnc2C[C@H]2CCC[N@@H+](CCO)C2)n1C ZINC000257338376 203060540 /nfs/dbraw/zinc/06/05/40/203060540.db2.gz YXCCOPCCVJKIOF-CQSZACIVSA-N 1 1 315.421 1.432 40 0 DDABMO CCS(=O)(=O)N1C[C@H]2C[N@@H+](CCCc3ccccc3)C[C@H]2C1 ZINC000063526825 184284385 /nfs/dbraw/zinc/28/43/85/184284385.db2.gz QGBHXYICRFUQRV-CALCHBBNSA-N 1 1 322.474 1.833 40 0 DDABMO CN(Cc1ccccn1)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000096043355 256553559 /nfs/dbraw/zinc/55/35/59/256553559.db2.gz DOTSXGHCXWKGNX-OWCLPIDISA-N 1 1 303.406 1.397 40 0 DDABMO CC(C)C[N@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(C3CCCC3)C2)C1 ZINC000514289145 257216049 /nfs/dbraw/zinc/21/60/49/257216049.db2.gz IQHCJGKEPUWVJS-DLBZAZTESA-N 1 1 307.482 1.390 40 0 biogenic,in-vitro DDABMO CCCC[N@@H+](C)C[C@@H]1OC[C@H](NC(=O)c2ccccc2)[C@H]1O ZINC000514288517 257216637 /nfs/dbraw/zinc/21/66/37/257216637.db2.gz HBJBMGQBMULULU-HRCADAONSA-N 1 1 306.406 1.277 40 0 biogenic,in-vitro DDABMO C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)C2(O)CCCC2)CC1 ZINC000031689404 406941706 /nfs/dbraw/zinc/94/17/06/406941706.db2.gz KZUQINWUNHPGFL-MRXNPFEDSA-N 1 1 302.418 1.849 40 0 DDABMO O=C1NC[C@H](COc2cccnc2)[C@]12CC[N@@H+](CC1CC1)C2 ZINC000096218952 407251951 /nfs/dbraw/zinc/25/19/51/407251951.db2.gz RZACTOFEPLJCID-RHSMWYFYSA-N 1 1 301.390 1.309 40 0 DDABMO Cc1cccc(C[N@@H+]2C[C@H]3CN(c4cnn(C)c4)C(=O)[C@H]3C2)n1 ZINC000096245245 407254661 /nfs/dbraw/zinc/25/46/61/407254661.db2.gz UUQOIKJCHIHZED-BBRMVZONSA-N 1 1 311.389 1.218 40 0 DDABMO Cc1cnc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC000096246242 407255969 /nfs/dbraw/zinc/25/59/69/407255969.db2.gz YCOXNXZMSRERQQ-CVEARBPZSA-N 1 1 312.421 1.477 40 0 DDABMO c1cc(CN2CCOC[C@@]3(C[N@@H+](CC4CC4)CCO3)C2)ccn1 ZINC000096049848 407227967 /nfs/dbraw/zinc/22/79/67/407227967.db2.gz ALZZVLLMZLVYTJ-SFHVURJKSA-N 1 1 317.433 1.395 40 0 DDABMO Cc1noc([C@H]2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3O2)n1 ZINC000096058188 407230434 /nfs/dbraw/zinc/23/04/34/407230434.db2.gz KXYIQYSASYLULR-BFHYXJOUSA-N 1 1 303.366 1.464 40 0 DDABMO Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3O2)n1 ZINC000096058188 407230436 /nfs/dbraw/zinc/23/04/36/407230436.db2.gz KXYIQYSASYLULR-BFHYXJOUSA-N 1 1 303.366 1.464 40 0 DDABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)c1ccnnc1)C2 ZINC000096061785 407232196 /nfs/dbraw/zinc/23/21/96/407232196.db2.gz RQSWUTLJRNEOON-UHFFFAOYSA-N 1 1 314.393 1.169 40 0 DDABMO Cc1ccoc1C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cnn(C)c1 ZINC000096063983 407232463 /nfs/dbraw/zinc/23/24/63/407232463.db2.gz MWNYFQMLYMUEAX-LSDHHAIUSA-N 1 1 314.389 1.811 40 0 DDABMO Cc1ccoc1C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cnn(C)c1 ZINC000096063983 407232465 /nfs/dbraw/zinc/23/24/65/407232465.db2.gz MWNYFQMLYMUEAX-LSDHHAIUSA-N 1 1 314.389 1.811 40 0 DDABMO O=C(c1ccnnc1)N1CC[N@H+]2C[C@H](Oc3ccccc3)C[C@H]2C1 ZINC000096063796 407233155 /nfs/dbraw/zinc/23/31/55/407233155.db2.gz PVHDCFLQHRAEFN-DOTOQJQBSA-N 1 1 324.384 1.454 40 0 DDABMO c1cnc(O[C@@H]2CO[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)nc1 ZINC000096072577 407234712 /nfs/dbraw/zinc/23/47/12/407234712.db2.gz ZHMRKPPWRDNKIW-HOCLYGCPSA-N 1 1 305.378 1.268 40 0 DDABMO CN(C)C(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2CC1CC1 ZINC000096143911 407240487 /nfs/dbraw/zinc/24/04/87/407240487.db2.gz SGABDRIUJQELFB-FUHWJXTLSA-N 1 1 300.402 1.985 40 0 DDABMO COCC(=O)N1CCC2(CCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000096158505 407241136 /nfs/dbraw/zinc/24/11/36/407241136.db2.gz FETKDCGJQSAISU-UHFFFAOYSA-N 1 1 317.433 1.933 40 0 DDABMO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CC[N@H+]3CCc2ccccc2)cn1 ZINC000096184556 407244279 /nfs/dbraw/zinc/24/42/79/407244279.db2.gz NXNMNJFHKPUPNJ-MSOLQXFVSA-N 1 1 324.428 1.952 40 0 DDABMO O=C1C[C@H]2[C@@H](CC[N@H+]2CC2CCOCC2)N1Cc1cccnc1 ZINC000096184015 407245107 /nfs/dbraw/zinc/24/51/07/407245107.db2.gz VPDXJQAUQHMBLO-SJORKVTESA-N 1 1 315.417 1.683 40 0 DDABMO Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccco2)cn1 ZINC000096186476 407245598 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C[NH+]1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1 ZINC000095532923 407215315 /nfs/dbraw/zinc/21/53/15/407215315.db2.gz WEDLJPOUXKKRCL-BVIKNXMNSA-N 1 1 310.482 1.826 40 0 DDABMO O=C(NCc1ccco1)[C@@H]1C[N@H+](C2CCC2)C[C@H]2OCC[C@H]21 ZINC000096038902 407224547 /nfs/dbraw/zinc/22/45/47/407224547.db2.gz VVJBSLMCCOGMMW-ARFHVFGLSA-N 1 1 304.390 1.785 40 0 DDABMO O=C(N1CCCO1)[C@@]12CCO[C@@H]1CC[N@H+](Cc1nccs1)C2 ZINC000096038834 407224596 /nfs/dbraw/zinc/22/45/96/407224596.db2.gz GBOVGBYCJOXHQJ-IUODEOHRSA-N 1 1 323.418 1.288 40 0 DDABMO O=C(N1CCCO1)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1nccs1)C2 ZINC000096038834 407224597 /nfs/dbraw/zinc/22/45/97/407224597.db2.gz GBOVGBYCJOXHQJ-IUODEOHRSA-N 1 1 323.418 1.288 40 0 DDABMO O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2cccnc2)C1 ZINC000096041248 407225399 /nfs/dbraw/zinc/22/53/99/407225399.db2.gz WAVVEYLCGGQDGI-NUEKZKHPSA-N 1 1 301.390 1.340 40 0 DDABMO O=C(NC1CCC1)[C@H]1C[C@@H]2CC[N@H+](C3CCOCC3)C[C@@H]2O1 ZINC000096043229 407226363 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1.893 40 0 DDABMO CCOC[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2cn(CC)nc21 ZINC000096059904 407232090 /nfs/dbraw/zinc/23/20/90/407232090.db2.gz QZHNBNDBCYJNSK-HNNXBMFYSA-N 1 1 303.410 1.772 40 0 DDABMO CCOC[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2cn(CC)nc21 ZINC000096059904 407232092 /nfs/dbraw/zinc/23/20/92/407232092.db2.gz QZHNBNDBCYJNSK-HNNXBMFYSA-N 1 1 303.410 1.772 40 0 DDABMO O=C(NCc1cn2c(n1)C[N@H+](CC1CCC1)CC2)C1CCC1 ZINC000096068031 407234376 /nfs/dbraw/zinc/23/43/76/407234376.db2.gz RHGFKQBERZFFBH-UHFFFAOYSA-N 1 1 302.422 1.915 40 0 DDABMO O=C(c1cc[nH]n1)N1C[C@@H]2CC[N@@H+](Cc3ccncc3)C[C@@H]2C1 ZINC000096081456 407235296 /nfs/dbraw/zinc/23/52/96/407235296.db2.gz NEWHRPAQHXJNHG-LSDHHAIUSA-N 1 1 311.389 1.399 40 0 DDABMO O=C(c1ccn[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccncc3)C[C@@H]2C1 ZINC000096081456 407235298 /nfs/dbraw/zinc/23/52/98/407235298.db2.gz NEWHRPAQHXJNHG-LSDHHAIUSA-N 1 1 311.389 1.399 40 0 DDABMO O=C(c1ccn[nH]1)N1C[C@@H]2CC[N@@H+](Cc3ccncc3)C[C@@H]2C1 ZINC000096081456 407235300 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Cc1[nH+]ccn1CC(=O)NCc1ccnc([C@H]2CCCO2)n1 ZINC000257283599 203012236 /nfs/dbraw/zinc/01/22/36/203012236.db2.gz OYYBTIYVMDPVJC-CYBMUJFWSA-N 1 1 301.350 1.149 40 0 DDABMO C[N@@H+](CC(=O)N1CCC[C@H]1c1ccnc(=O)[nH]1)C1CCCC1 ZINC000257335555 203059043 /nfs/dbraw/zinc/05/90/43/203059043.db2.gz YKRSMKSDJBFTAN-AWEZNQCLSA-N 1 1 304.394 1.720 40 0 DDABMO Cc1ccccc1-c1noc(CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000020443012 182217984 /nfs/dbraw/zinc/21/79/84/182217984.db2.gz WIEATSYHGPODAN-UHFFFAOYSA-N 1 1 314.389 1.752 40 0 DDABMO Cc1cccc(O[C@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)c1 ZINC000022829963 182336267 /nfs/dbraw/zinc/33/62/67/182336267.db2.gz CJJCUNVVAXEEOC-MRXNPFEDSA-N 1 1 319.449 1.516 40 0 DDABMO C[N@H+]1CCC2(C1)CCN(S(=O)(=O)c1ccccc1F)CC2 ZINC000063527798 184284581 /nfs/dbraw/zinc/28/45/81/184284581.db2.gz DPBMAEAMNNQOFJ-UHFFFAOYSA-N 1 1 312.410 1.932 40 0 DDABMO CC(C)C[N@H+]1C[C@@H]2CN(C3CCOCC3)CCN2C(C)(C)C1 ZINC000514289751 257215528 /nfs/dbraw/zinc/21/55/28/257215528.db2.gz OJFZCSHMBTUFQS-QGZVFWFLSA-N 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CCN1c2ccccc2C2(CC[NH+](CCN(C)C)CC2)C1=O ZINC000096078901 407235132 /nfs/dbraw/zinc/23/51/32/407235132.db2.gz WUESGZSLRLOUAV-UHFFFAOYSA-N 1 1 301.434 1.948 40 0 DDABMO CN(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096108226 407237954 /nfs/dbraw/zinc/23/79/54/407237954.db2.gz MYHLIOIUKJGXIQ-UONOGXRCSA-N 1 1 309.435 1.562 40 0 DDABMO CN1[C@@H](C(=O)NCC2CC2)C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000096182597 407243587 /nfs/dbraw/zinc/24/35/87/407243587.db2.gz WBCGQCJDEJVNMS-OAGGEKHMSA-N 1 1 319.474 1.779 40 0 DDABMO O=C(NCC1CC1)[C@H]1C[C@H]2[C@H](CC[N@H+]2Cc2ccccc2)O1 ZINC000096183596 407244727 /nfs/dbraw/zinc/24/47/27/407244727.db2.gz IMPCVBDWILMPBO-YESZJQIVSA-N 1 1 300.402 1.945 40 0 DDABMO Cn1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)N2CCCC2)cn1 ZINC000096184636 407244889 /nfs/dbraw/zinc/24/48/89/407244889.db2.gz OWENNINYTMVVNG-LSDHHAIUSA-N 1 1 303.410 1.285 40 0 DDABMO C[C@@H]1C[N@H+]([C@@H]2CCOC2)C[C@]12CCN(c1cccnc1)C2=O ZINC000096201758 407248242 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C[NH+]1CCC(N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)CC1 ZINC000257218987 407500855 /nfs/dbraw/zinc/50/08/55/407500855.db2.gz DFDGZMDIROMDCF-ROUUACIJSA-N 1 1 304.434 1.985 40 0 DDABMO CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCN1C(=O)c1ccc(F)cc1 ZINC000257224798 407502542 /nfs/dbraw/zinc/50/25/42/407502542.db2.gz FDJQHBLONQZIIB-AWEZNQCLSA-N 1 1 307.369 1.107 40 0 DDABMO CNC(=O)[C@@H]1C[N@H+](C(C)C)CCN1C(=O)c1ccc(F)cc1 ZINC000257224798 407502548 /nfs/dbraw/zinc/50/25/48/407502548.db2.gz FDJQHBLONQZIIB-AWEZNQCLSA-N 1 1 307.369 1.107 40 0 DDABMO C[C@]12C[C@@H](c3ccccc3)[N@@H+](CC(N)=O)[C@H]1CCCC(=O)N2 ZINC000257228125 407507289 /nfs/dbraw/zinc/50/72/89/407507289.db2.gz FSJRDJZFCHKGKY-ZQIUZPCESA-N 1 1 301.390 1.346 40 0 DDABMO Cc1cc(N2CCC(c3nnc4n3CC[N@H+](C)C4)CC2)ncn1 ZINC000257250379 407519824 /nfs/dbraw/zinc/51/98/24/407519824.db2.gz JMHJBVLUMXMKIV-UHFFFAOYSA-N 1 1 313.409 1.206 40 0 DDABMO CN1CC[N@@H+](Cc2cc3ccccc3s2)C[C@H](C(N)=O)C1 ZINC000257252159 407521398 /nfs/dbraw/zinc/52/13/98/407521398.db2.gz JTTIPMRHNKIQTQ-CYBMUJFWSA-N 1 1 303.431 1.750 40 0 DDABMO C[N@@H+]1CCN(Cc2cc3ccccc3s2)C[C@H](C(N)=O)C1 ZINC000257252159 407521402 /nfs/dbraw/zinc/52/14/02/407521402.db2.gz JTTIPMRHNKIQTQ-CYBMUJFWSA-N 1 1 303.431 1.750 40 0 DDABMO C[N@H+]1CCN(Cc2cc3ccccc3s2)C[C@H](C(N)=O)C1 ZINC000257252159 407521406 /nfs/dbraw/zinc/52/14/06/407521406.db2.gz JTTIPMRHNKIQTQ-CYBMUJFWSA-N 1 1 303.431 1.750 40 0 DDABMO COCC[N@H+]1CC[C@@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 ZINC000257261536 407523202 /nfs/dbraw/zinc/52/32/02/407523202.db2.gz LHTTZQIGKJWZDG-CYBMUJFWSA-N 1 1 300.362 1.680 40 0 DDABMO C[NH+](C)Cc1c[nH]c([C@@H]2CN(Cc3ccncc3)CCO2)n1 ZINC000257284097 407529502 /nfs/dbraw/zinc/52/95/02/407529502.db2.gz PBFUXYSSTOJJPQ-HNNXBMFYSA-N 1 1 301.394 1.440 40 0 DDABMO C[NH+]1CCN([C@H]2COC3(C2)CCN(c2nccs2)CC3)CC1 ZINC000096074170 277112168 /nfs/dbraw/zinc/11/21/68/277112168.db2.gz RQJBKNKZXOBIFD-CQSZACIVSA-N 1 1 322.478 1.518 40 0 DDABMO CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2CC1CC1 ZINC000257247909 278093047 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Cc1ccccc1NC(=O)C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O ZINC000004223162 181086465 /nfs/dbraw/zinc/08/64/65/181086465.db2.gz WUQKUDDPOSWVHA-RRFJBIMHSA-N 1 1 301.390 1.723 40 0 DDABMO O=C1N(c2ncccn2)C[C@@]12CCC[N@@H+](C[C@@H]1CCCO1)C2 ZINC000585099373 354807052 /nfs/dbraw/zinc/80/70/52/354807052.db2.gz HSKNBQARQBMTMN-BBRMVZONSA-N 1 1 302.378 1.084 40 0 DDABMO CNC(=O)C[N@@H+]1CCC[C@](COc2ccccc2C)(OC)C1 ZINC000585274436 354818611 /nfs/dbraw/zinc/81/86/11/354818611.db2.gz LCARUAYTWAYKAK-KRWDZBQOSA-N 1 1 306.406 1.601 40 0 DDABMO CNC(=O)C[N@H+]1CCC[C@](COc2ccccc2C)(OC)C1 ZINC000585274436 354818612 /nfs/dbraw/zinc/81/86/12/354818612.db2.gz LCARUAYTWAYKAK-KRWDZBQOSA-N 1 1 306.406 1.601 40 0 DDABMO Cc1nc[nH]c1C[N@H+]1CC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585274268 354818630 /nfs/dbraw/zinc/81/86/30/354818630.db2.gz IAPBBLQLZBQCCB-INIZCTEOSA-N 1 1 305.353 1.873 40 0 DDABMO CCn1ccnc1C[N@H+]1CCC[C@]1(COC)CC(=O)N(C)C ZINC000585276803 354820903 /nfs/dbraw/zinc/82/09/03/354820903.db2.gz 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DDABMO COc1cc(C[N@H+]2CC[C@H](O)[C@@H](NC(C)=O)CC2)ccc1F ZINC000257205544 407493090 /nfs/dbraw/zinc/49/30/90/407493090.db2.gz AZOWTDDFVVEZSG-GJZGRUSLSA-N 1 1 310.369 1.296 40 0 DDABMO Cc1cc(C)n(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)n1 ZINC000257208245 407495301 /nfs/dbraw/zinc/49/53/01/407495301.db2.gz BLICILOGJXNYRS-CUSZFKRNSA-N 1 1 316.449 1.974 40 0 DDABMO CN(C)c1cc([C@H]2CCC[N@H+]2CC2(O)CCOCC2)ccn1 ZINC000257246210 407518450 /nfs/dbraw/zinc/51/84/50/407518450.db2.gz ITBWEOMQUBRURN-OAHLLOKOSA-N 1 1 305.422 1.826 40 0 DDABMO CN1CCN(C(=O)c2cncc(C[C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000257255671 407519709 /nfs/dbraw/zinc/51/97/09/407519709.db2.gz KIKPFGKKNZGHPZ-HNNXBMFYSA-N 1 1 316.449 1.354 40 0 DDABMO Cc1ccc(CN(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575420435 422295897 /nfs/dbraw/zinc/29/58/97/422295897.db2.gz IACLIMNWCBWFQB-MRXNPFEDSA-N 1 1 310.463 1.546 40 0 DDABMO CC(C)[N@@H+](C)C[C@@H]1Cn2ccnc2CN(C[C@@H]2CCOC2)C1 ZINC000096188330 279372910 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Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)c2ccc(C)nc2)[C@H]1O ZINC000257313908 203037854 /nfs/dbraw/zinc/03/78/54/203037854.db2.gz UUQKZWDTUGHNIW-RBSFLKMASA-N 1 1 300.362 1.389 40 0 DDABMO CCc1[nH+]ccn1CC(=O)N(C)[C@@H]1CCCC[C@@H](OC)[C@@H]1O ZINC000257317218 203040041 /nfs/dbraw/zinc/04/00/41/203040041.db2.gz VIWCSYOOAWJMBT-XJKCOSOUSA-N 1 1 309.410 1.222 40 0 DDABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NC2CC2)C1 ZINC000096038783 256552453 /nfs/dbraw/zinc/55/24/53/256552453.db2.gz QSXALTYGQNGSIS-NVXWUHKLSA-N 1 1 319.405 1.551 40 0 DDABMO CN(C)C(=O)[C@H]1CN(Cc2c(F)cccc2F)CC[N@@H+](C)C1 ZINC000257286809 256621818 /nfs/dbraw/zinc/62/18/18/256621818.db2.gz PNDOMQSZGUULEA-GFCCVEGCSA-N 1 1 311.376 1.417 40 0 DDABMO COc1cccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000072227744 257122748 /nfs/dbraw/zinc/12/27/48/257122748.db2.gz AHYDUAMDHFHQPJ-HZPDHXFCSA-N 1 1 312.325 1.839 40 0 DDABMO O=S1(=O)N[C@@H]2C[N@H+](C3CCCC3)C[C@@H]2Oc2ccccc21 ZINC000514290099 257215367 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COCC[N@H+]1CCO[C@@H]2CCN(c3ccc(C)nn3)CC[C@H]21 ZINC000096249281 407256084 /nfs/dbraw/zinc/25/60/84/407256084.db2.gz LSNLBUKWRWLQGC-HUUCEWRRSA-N 1 1 306.410 1.101 40 0 DDABMO O=C(C[C@@H]1COC[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21)NC1CC1 ZINC000096040859 407225449 /nfs/dbraw/zinc/22/54/49/407225449.db2.gz BMHPZKYDBZBFDB-FMKPAKJESA-N 1 1 304.390 1.643 40 0 DDABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2C[C@@H](C(=O)N(C)C)O[C@@H]2C1 ZINC000096042907 407226289 /nfs/dbraw/zinc/22/62/89/407226289.db2.gz BTNRUKKABYUNBT-AEGPPILISA-N 1 1 307.394 1.359 40 0 DDABMO Cc1noc(C)c1C[N@@H+]1CC[C@H]2C[C@@H](C(=O)N(C)C)O[C@@H]2C1 ZINC000096042907 407226291 /nfs/dbraw/zinc/22/62/91/407226291.db2.gz BTNRUKKABYUNBT-AEGPPILISA-N 1 1 307.394 1.359 40 0 DDABMO CC(C)[N@H+]1CCOC[C@@]2(CN(C(=O)c3ccco3)CCO2)C1 ZINC000096049740 407227890 /nfs/dbraw/zinc/22/78/90/407227890.db2.gz AURTYGVIPSRDMJ-INIZCTEOSA-N 1 1 308.378 1.231 40 0 DDABMO COCC[N@H+]1CCO[C@H]2[C@H](OCc3cccc(C)n3)CC[C@@H]21 ZINC000096065823 407232707 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40 0 DDABMO COCC(=O)N1C[C@H]([N@@H+](C)Cc2ccco2)[C@@H]2OCCC[C@@H]21 ZINC000096185991 407245850 /nfs/dbraw/zinc/24/58/50/407245850.db2.gz UKZJLORRJHGTII-OFQRWUPVSA-N 1 1 308.378 1.116 40 0 DDABMO Cc1cccc(C[N@@H+]2CCc3ncc(Cn4cncn4)n3CC2)n1 ZINC000096196991 407247386 /nfs/dbraw/zinc/24/73/86/407247386.db2.gz ZEFPKBFJJADEEP-UHFFFAOYSA-N 1 1 323.404 1.285 40 0 DDABMO OCCOc1cccc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 ZINC000257205530 407492682 /nfs/dbraw/zinc/49/26/82/407492682.db2.gz AZMIYUGCEUHCLU-IRXDYDNUSA-N 1 1 307.390 1.174 40 0 DDABMO Cc1nccc([C@@H]2CN(C(=O)C[N@H+](C)C3CCCC3)CCO2)n1 ZINC000257216817 407500265 /nfs/dbraw/zinc/50/02/65/407500265.db2.gz CWEYGIXJGMMUSY-INIZCTEOSA-N 1 1 318.421 1.559 40 0 DDABMO NC(=O)C[N@H+]1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1cccnc1 ZINC000257225732 407504174 /nfs/dbraw/zinc/50/41/74/407504174.db2.gz FHNGHFAYLITJJA-HUUCEWRRSA-N 1 1 316.405 1.026 40 0 DDABMO Cc1ocnc1C(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@@H+]1C ZINC000257263432 407526874 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182134854 /nfs/dbraw/zinc/13/48/54/182134854.db2.gz MXZVUCCPNGDVQR-LBPRGKRZSA-N 1 1 301.394 1.898 40 0 DDABMO CC[C@H](Oc1ccccc1C)C(=O)NCCC[NH+]1CCOCC1 ZINC000020038555 182182920 /nfs/dbraw/zinc/18/29/20/182182920.db2.gz UCZLDPVKHOVDEG-INIZCTEOSA-N 1 1 320.433 1.991 40 0 DDABMO CCc1ccccc1NC(=O)C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O ZINC000009483978 406810020 /nfs/dbraw/zinc/81/00/20/406810020.db2.gz RKKZDESZTPGZSN-ARFHVFGLSA-N 1 1 315.417 1.977 40 0 DDABMO CC(C)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccn1)C2 ZINC000012114498 406836124 /nfs/dbraw/zinc/83/61/24/406836124.db2.gz JQKBSKDFIBGUFR-VMZNBEPHSA-N 1 1 303.406 1.421 40 0 DDABMO COC(=O)[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000012648547 406849566 /nfs/dbraw/zinc/84/95/66/406849566.db2.gz QDXPEJJDZLXRNQ-VXGBXAGGSA-N 1 1 300.399 1.785 40 0 DDABMO CC(C)NC(=O)[C@@H]1C[N@@H+](C)C[C@]12COc1ccc(F)cc1C2=O ZINC000019450012 406884988 /nfs/dbraw/zinc/88/49/88/406884988.db2.gz WDCSASGTTRPIMP-GUYCJALGSA-N 1 1 320.364 1.473 40 0 DDABMO 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40 0 DDABMO Cc1noc(C)c1CC(=O)N[C@@H]1CC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257204684 407493285 /nfs/dbraw/zinc/49/32/85/407493285.db2.gz AVWXECIXJSHASB-IIAWOOMASA-N 1 1 318.377 1.220 40 0 DDABMO CC[N@@H+](Cc1ccncc1)[C@@H]1CN(C(=O)C2CCC2)C[C@H]1O ZINC000257237254 407510261 /nfs/dbraw/zinc/51/02/61/407510261.db2.gz HFTNUKAQYBGZSK-HZPDHXFCSA-N 1 1 303.406 1.275 40 0 DDABMO CNC(=O)c1cc(C)nc([C@]2(C)CCC[N@H+]2C2CCOCC2)n1 ZINC000257248850 407516825 /nfs/dbraw/zinc/51/68/25/407516825.db2.gz JFMVBCBNABBNJW-KRWDZBQOSA-N 1 1 318.421 1.635 40 0 DDABMO COc1ccc(CN2C[C@@H]3C[N@@H+](C)CCN3C(C)(C)C2)cc1 ZINC000253400726 408814710 /nfs/dbraw/zinc/81/47/10/408814710.db2.gz LPEZTLJTGOWDQC-INIZCTEOSA-N 1 1 303.450 1.905 40 0 biogenic,in-vitro DDABMO COc1ccc(C[N@@H+]2C[C@@H]3CN(C)CCN3C(C)(C)C2)cc1 ZINC000253400726 408814711 /nfs/dbraw/zinc/81/47/11/408814711.db2.gz LPEZTLJTGOWDQC-INIZCTEOSA-N 1 1 303.450 1.905 40 0 biogenic,in-vitro DDABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C)CCN3C(C)(C)C2)cc1 ZINC000253400726 408814712 /nfs/dbraw/zinc/81/47/12/408814712.db2.gz LPEZTLJTGOWDQC-INIZCTEOSA-N 1 1 303.450 1.905 40 0 biogenic,in-vitro DDABMO CN(C)c1ccc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000026483088 276802946 /nfs/dbraw/zinc/80/29/46/276802946.db2.gz PJRBMUBCJPSEJR-NEPJUHHUSA-N 1 1 311.432 1.406 40 0 DDABMO Cc1nn(C)c(F)c1C[NH2+]Cc1ccnn1CC(F)(F)F ZINC000256055072 741614597 /nfs/dbraw/zinc/61/45/97/741614597.db2.gz ZAHKAMBCXKMXRI-UHFFFAOYSA-N 1 1 305.279 1.916 40 0 DDABMO C[N@@H+](CCO)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391656 185168470 /nfs/dbraw/zinc/16/84/70/185168470.db2.gz LXVYCOAIEUPCKM-MRXNPFEDSA-N 1 1 306.406 1.959 40 0 DDABMO C[N@H+]1C[C@H](COc2cccnc2)CC12CN(c1ncccn1)C2 ZINC000585093885 354803356 /nfs/dbraw/zinc/80/33/56/354803356.db2.gz MOPLGUPLMWAMFF-CQSZACIVSA-N 1 1 311.389 1.461 40 0 DDABMO O=C([C@@H]1CCCS1)N1CC2(C1)C[C@@H](CO)C[N@H+]2CC1CC1 ZINC000585093713 354803530 /nfs/dbraw/zinc/80/35/30/354803530.db2.gz AAUBQWHHLFRLLV-KGLIPLIRSA-N 1 1 310.463 1.187 40 0 DDABMO CCOCc1nnc2n1CC[N@H+](Cc1ncccc1C)[C@H](C)C2 ZINC000585097709 354805895 /nfs/dbraw/zinc/80/58/95/354805895.db2.gz MYKAUBZKRKYCRF-CQSZACIVSA-N 1 1 315.421 1.965 40 0 DDABMO Cn1cncc1C[N@H+]1CCC[C@]2(CCC(=O)N2CCF)CC1 ZINC000585100818 354807318 /nfs/dbraw/zinc/80/73/18/354807318.db2.gz XUCZBTBUUHLBRW-INIZCTEOSA-N 1 1 308.401 1.737 40 0 DDABMO COc1ccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(C)C3)C2)c(F)c1 ZINC000585104718 354808120 /nfs/dbraw/zinc/80/81/20/354808120.db2.gz RZSLFSLRVCPHKH-KRWDZBQOSA-N 1 1 322.380 1.515 40 0 DDABMO COc1ccc(C[N@H+]2CCOC[C@]3(CC(=O)N(C)C3)C2)c(F)c1 ZINC000585104718 354808121 /nfs/dbraw/zinc/80/81/21/354808121.db2.gz RZSLFSLRVCPHKH-KRWDZBQOSA-N 1 1 322.380 1.515 40 0 DDABMO C[N@@H+]1CCC[C@H](NS(C)(=O)=O)[C@@H]1Cc1cccc(F)c1 ZINC000585281249 354823303 /nfs/dbraw/zinc/82/33/03/354823303.db2.gz VCMLJESRIMRJBI-KBPBESRZSA-N 1 1 300.399 1.380 40 0 DDABMO C[N@H+]1CCC[C@H](NS(C)(=O)=O)[C@@H]1Cc1cccc(F)c1 ZINC000585281249 354823307 /nfs/dbraw/zinc/82/33/07/354823307.db2.gz VCMLJESRIMRJBI-KBPBESRZSA-N 1 1 300.399 1.380 40 0 DDABMO Cc1ccc(C(=O)N2CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000257295354 203021203 /nfs/dbraw/zinc/02/12/03/203021203.db2.gz QXZGLJMGCGBNSE-IRXDYDNUSA-N 1 1 318.417 1.293 40 0 DDABMO CN(C)c1cc(CC[C@H]2CN(c3ncccn3)CCO2)cc[nH+]1 ZINC000257328786 203053180 /nfs/dbraw/zinc/05/31/80/203053180.db2.gz XHCPRSDHYVAZEN-HNNXBMFYSA-N 1 1 313.405 1.776 40 0 DDABMO C[N@H+]1CCCC[C@@H]2N(C(=O)Cn3cccnc3=O)CCC[C@@]21C ZINC000257312565 203036074 /nfs/dbraw/zinc/03/60/74/203036074.db2.gz UONVZYYUNURDFL-YOEHRIQHSA-N 1 1 318.421 1.109 40 0 DDABMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccnc(=O)[nH]1)C1CCCC1 ZINC000257335556 203057725 /nfs/dbraw/zinc/05/77/25/203057725.db2.gz YKRSMKSDJBFTAN-CQSZACIVSA-N 1 1 304.394 1.720 40 0 DDABMO Cc1nc[nH]c1CN1CCC[C@H]1c1cncc(C[NH+](C)C)n1 ZINC000257341602 203064362 /nfs/dbraw/zinc/06/43/62/203064362.db2.gz ZLAOTFAMGZRSGX-INIZCTEOSA-N 1 1 300.410 1.907 40 0 DDABMO COCC[N@H+]1CCC[C@@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 ZINC000257343046 203065165 /nfs/dbraw/zinc/06/51/65/203065165.db2.gz ZRFZLDLJQLUZHZ-ZDUSSCGKSA-N 1 1 301.394 1.768 40 0 DDABMO CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)C3CCCCC3)C[C@H]2C1 ZINC000096081430 193527997 /nfs/dbraw/zinc/52/79/97/193527997.db2.gz CNGRGAZOSHFQAY-LSDHHAIUSA-N 1 1 307.438 1.093 40 0 DDABMO CC(C)C[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](C)CC1 ZINC000019446902 182123958 /nfs/dbraw/zinc/12/39/58/182123958.db2.gz GTKCNHZHZZLEEH-OAHLLOKOSA-N 1 1 318.425 1.649 40 0 DDABMO COc1cccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc3c(c2)OCO3)c1 ZINC000072227571 257122614 /nfs/dbraw/zinc/12/26/14/257122614.db2.gz HZRSHQWNSKDWBC-HOTGVXAUSA-N 1 1 312.325 1.839 40 0 DDABMO CC(=O)Nc1ccc(C[N@H+]2CCc3nc(C)[nH]c(=O)c3C2)cc1 ZINC000012185032 406838467 /nfs/dbraw/zinc/83/84/67/406838467.db2.gz OJBBAOOAPKKRHM-UHFFFAOYSA-N 1 1 312.373 1.595 40 0 DDABMO C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(O)(c2cccnc2)CC1 ZINC000012222012 406838784 /nfs/dbraw/zinc/83/87/84/406838784.db2.gz DXXJVHLLUCSGMM-OAHLLOKOSA-N 1 1 317.433 1.766 40 0 DDABMO 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317.433 1.585 40 0 DDABMO Fc1ccc(NC(=S)NCCC[NH+]2CCOCC2)cc1F ZINC000016221620 182037201 /nfs/dbraw/zinc/03/72/01/182037201.db2.gz IGHXZZHKKXSQAP-UHFFFAOYSA-N 1 1 315.389 1.974 40 0 DDABMO Cc1ccccc1N1C(=O)C[C@H]([N@H+]2CCCC[C@@H]2CCO)C1=O ZINC000022239211 182314716 /nfs/dbraw/zinc/31/47/16/182314716.db2.gz DUICHBGQRWGBKF-ZBFHGGJFSA-N 1 1 316.401 1.864 40 0 DDABMO O=C(C[C@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)NCc1ccccc1 ZINC000013494637 406862901 /nfs/dbraw/zinc/86/29/01/406862901.db2.gz CPMZDSOKSMYPGP-QLFBSQMISA-N 1 1 301.390 1.092 40 0 DDABMO COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2c2ccccc2C)C1 ZINC000096419275 407263066 /nfs/dbraw/zinc/26/30/66/407263066.db2.gz KACHNQXAZBXJQJ-PVAVHDDUSA-N 1 1 302.418 1.935 40 0 DDABMO CCC[N@@H+]1CCc2nc(N3CCOCC3)nc(NC(C)C)c2C1 ZINC000096254294 407257567 /nfs/dbraw/zinc/25/75/67/407257567.db2.gz INOBFUFOKZRXRG-UHFFFAOYSA-N 1 1 319.453 1.902 40 0 DDABMO CCC[N@H+]1CCc2nc(N3CCOCC3)nc(NC(C)C)c2C1 ZINC000096254294 407257569 /nfs/dbraw/zinc/25/75/69/407257569.db2.gz INOBFUFOKZRXRG-UHFFFAOYSA-N 1 1 319.453 1.902 40 0 DDABMO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCOCC2)O1)N1CCCO1 ZINC000096065390 407232775 /nfs/dbraw/zinc/23/27/75/407232775.db2.gz HVVRYVDLHNAPFN-OAGGEKHMSA-N 1 1 324.421 1.199 40 0 DDABMO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccccn2)cn1 ZINC000096063985 407233180 /nfs/dbraw/zinc/23/31/80/407233180.db2.gz CQYQSYRDCCHKLP-JKSUJKDBSA-N 1 1 311.389 1.304 40 0 DDABMO Cn1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccccn2)cn1 ZINC000096063985 407233182 /nfs/dbraw/zinc/23/31/82/407233182.db2.gz CQYQSYRDCCHKLP-JKSUJKDBSA-N 1 1 311.389 1.304 40 0 DDABMO COCC[N@@H+]1CCOCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096074626 407235199 /nfs/dbraw/zinc/23/51/99/407235199.db2.gz FVEKNPHZFAKVCW-UHFFFAOYSA-N 1 1 324.446 1.702 40 0 DDABMO COCC[N@H+]1CCOCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096074626 407235200 /nfs/dbraw/zinc/23/52/00/407235200.db2.gz FVEKNPHZFAKVCW-UHFFFAOYSA-N 1 1 324.446 1.702 40 0 DDABMO C[C@H]1c2ncc(COCC(=O)N(C)C)n2CC[N@@H+]1C1CCCC1 ZINC000096109731 407237926 /nfs/dbraw/zinc/23/79/26/407237926.db2.gz WXWUUJZQLUWLII-ZDUSSCGKSA-N 1 1 320.437 1.807 40 0 DDABMO C[C@H]1c2ncc(COCC(=O)N(C)C)n2CC[N@H+]1C1CCCC1 ZINC000096109731 407237928 /nfs/dbraw/zinc/23/79/28/407237928.db2.gz WXWUUJZQLUWLII-ZDUSSCGKSA-N 1 1 320.437 1.807 40 0 DDABMO C[N@H+](Cc1ccco1)C[C@@H]1CC[C@@]2(COCCN(C(N)=O)C2)O1 ZINC000096160639 407241353 /nfs/dbraw/zinc/24/13/53/407241353.db2.gz GIHOCKJCWAKLDO-GOEBONIOSA-N 1 1 323.393 1.040 40 0 DDABMO O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)cc1 ZINC000096184520 407244271 /nfs/dbraw/zinc/24/42/71/407244271.db2.gz GHXMTDCFQAFDCJ-CVEARBPZSA-N 1 1 324.421 1.967 40 0 DDABMO O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(F)cc1 ZINC000096184520 407244272 /nfs/dbraw/zinc/24/42/72/407244272.db2.gz GHXMTDCFQAFDCJ-CVEARBPZSA-N 1 1 324.421 1.967 40 0 DDABMO c1nc2n(c1CN1CCCC1)CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096196871 407247021 /nfs/dbraw/zinc/24/70/21/407247021.db2.gz MMPSOXVHPKLLMZ-OAHLLOKOSA-N 1 1 304.438 1.374 40 0 DDABMO c1nc2n(c1CN1CCCC1)CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000096196871 407247024 /nfs/dbraw/zinc/24/70/24/407247024.db2.gz MMPSOXVHPKLLMZ-OAHLLOKOSA-N 1 1 304.438 1.374 40 0 DDABMO C[N@H+]1CC[C@@]2(C1)COCCN(C(=O)Cc1cccc(F)c1)C2 ZINC000096201924 407248186 /nfs/dbraw/zinc/24/81/86/407248186.db2.gz YYRVZWFNAUHELQ-KRWDZBQOSA-N 1 1 306.381 1.549 40 0 DDABMO O=C1CCCN1[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096207749 407249896 /nfs/dbraw/zinc/24/98/96/407249896.db2.gz MPQQIGGBFKQMKR-SJLPKXTDSA-N 1 1 315.417 1.828 40 0 DDABMO CN(C)C(=O)CO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccoc1)C2 ZINC000096208531 407250741 /nfs/dbraw/zinc/25/07/41/407250741.db2.gz ZXQUIAIHTGYCOA-WBVHZDCISA-N 1 1 322.405 1.508 40 0 DDABMO CS(=O)(=O)NC[C@@H]1OC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]12 ZINC000107201843 407370688 /nfs/dbraw/zinc/37/06/88/407370688.db2.gz YCCGPKDBFWGAGQ-OAGGEKHMSA-N 1 1 324.446 1.073 40 0 DDABMO C[N@@H+]1CC[C@]1(CCCc1cccc(Br)n1)C(N)=O ZINC000257197551 407491863 /nfs/dbraw/zinc/49/18/63/407491863.db2.gz CNFBNFOVZHEUDM-CYBMUJFWSA-N 1 1 312.211 1.726 40 0 DDABMO C[N@H+]1CC[C@]1(CCCc1cccc(Br)n1)C(N)=O ZINC000257197551 407491870 /nfs/dbraw/zinc/49/18/70/407491870.db2.gz CNFBNFOVZHEUDM-CYBMUJFWSA-N 1 1 312.211 1.726 40 0 DDABMO Cc1ncoc1C(=O)N1CCC[C@H]1c1cncc(C[NH+](C)C)n1 ZINC000257231765 407506612 /nfs/dbraw/zinc/50/66/12/407506612.db2.gz GICNWTNAQBWJQG-AWEZNQCLSA-N 1 1 315.377 1.812 40 0 DDABMO COCC(=O)NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3sccc3C)C[C@H]12 ZINC000253599347 407462347 /nfs/dbraw/zinc/46/23/47/407462347.db2.gz OGBWSWBYTRLDAS-MGPQQGTHSA-N 1 1 324.446 1.266 40 0 DDABMO CCOc1ccc(C[N@H+]2C[C@H](OC)[C@]3(CCCO3)C2)cc1CO ZINC000257246062 407517345 /nfs/dbraw/zinc/51/73/45/407517345.db2.gz ISGWFCFBOIYQFC-ROUUACIJSA-N 1 1 321.417 1.957 40 0 DDABMO CCN(CC)c1ncnc2c1CC[N@H+](C1CCOCC1)CC2 ZINC000096255823 276341566 /nfs/dbraw/zinc/34/15/66/276341566.db2.gz ALVPAXMVBSZWQS-UHFFFAOYSA-N 1 1 304.438 1.902 40 0 DDABMO C[N@H+]1C[C@@H]2CN(C(=O)COc3ccccc3)CCN2C(C)(C)C1 ZINC000253396894 277196352 /nfs/dbraw/zinc/19/63/52/277196352.db2.gz FDMFBKLTCDDTHV-OAHLLOKOSA-N 1 1 317.433 1.302 40 0 biogenic,in-vitro DDABMO Cc1cc(C(=O)N2CCC[C@@H]3[N@@H+](C)CCC[C@@]32C)nc(N)n1 ZINC000257215058 280326539 /nfs/dbraw/zinc/32/65/39/280326539.db2.gz COMCXSPGOZFGBM-BBRMVZONSA-N 1 1 303.410 1.456 40 0 DDABMO O=C(CC1CCCCC1)N1CC[C@](O)(C[NH+]2CCOCC2)C1 ZINC000257303363 295467162 /nfs/dbraw/zinc/46/71/62/295467162.db2.gz SGWXJPVQQZCTEJ-KRWDZBQOSA-N 1 1 310.438 1.252 40 0 DDABMO O=C(NCc1ccccn1)[C@@H]1COC[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000097953316 332203303 /nfs/dbraw/zinc/20/33/03/332203303.db2.gz SFTVAXATPJRDHK-DJIMGWMZSA-N 1 1 315.417 1.302 40 0 DDABMO CCN(C[C@@H]1CC[N@@H+](CCO)C1)C(=O)OCc1ccccc1 ZINC000079411031 185170164 /nfs/dbraw/zinc/17/01/64/185170164.db2.gz KLOBPMMLGDSXKQ-MRXNPFEDSA-N 1 1 306.406 1.959 40 0 DDABMO C[N@H+]1Cc2cncn2[C@]2(CCCN(Cc3nccs3)C2)C1 ZINC000306136886 529830772 /nfs/dbraw/zinc/83/07/72/529830772.db2.gz QFQDLBIBDQDYPC-OAHLLOKOSA-N 1 1 303.435 1.776 40 0 DDABMO Cc1nc(Nc2cnccn2)cc([C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC000072360133 191130206 /nfs/dbraw/zinc/13/02/06/191130206.db2.gz MCUTUVLPTJCDIC-CYBMUJFWSA-N 1 1 314.393 1.490 40 0 DDABMO C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)N2CCOCC2)[C@@H]1O ZINC000585280632 354823108 /nfs/dbraw/zinc/82/31/08/354823108.db2.gz MJZTZPSDHPCZEM-ZACQAIPSSA-N 1 1 318.417 1.117 40 0 DDABMO Cn1cc(C[N@H+]2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)cn1 ZINC000257303572 203027681 /nfs/dbraw/zinc/02/76/81/203027681.db2.gz SHSZONJTAVICJX-RDJZCZTQSA-N 1 1 319.380 1.964 40 0 DDABMO C[NH+](C)Cc1cncc([C@H]2CCCN2C(=O)c2cscn2)n1 ZINC000257285426 203011750 /nfs/dbraw/zinc/01/17/50/203011750.db2.gz PHAYDZGYMHRWPN-CQSZACIVSA-N 1 1 317.418 1.972 40 0 DDABMO COc1ncc(C[N@H+]2CC[C@@H]3[C@@H](C2)CCCC(=O)N3C)cn1 ZINC000257340072 203061717 /nfs/dbraw/zinc/06/17/17/203061717.db2.gz ZEILQPZWDDEEFL-ZIAGYGMSSA-N 1 1 304.394 1.318 40 0 DDABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)CC)[C@H]1c1ccc(Cl)cc1 ZINC000252515972 257106236 /nfs/dbraw/zinc/10/62/36/257106236.db2.gz OZRFEMVEMOUZPJ-MCIONIFRSA-N 1 1 317.838 1.975 40 0 DDABMO C[N@@H+]1CCC[C@H]1c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000035424595 406971663 /nfs/dbraw/zinc/97/16/63/406971663.db2.gz PFMLPROLKLIUHJ-ZDUSSCGKSA-N 1 1 315.377 1.735 40 0 biogenic,in-vitro DDABMO C[N@H+]1CCC[C@H]1c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000035424595 406971667 /nfs/dbraw/zinc/97/16/67/406971667.db2.gz PFMLPROLKLIUHJ-ZDUSSCGKSA-N 1 1 315.377 1.735 40 0 biogenic,in-vitro DDABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)NCc1ccccc1 ZINC000054177491 407178958 /nfs/dbraw/zinc/17/89/58/407178958.db2.gz CPMZDSOKSMYPGP-RRFJBIMHSA-N 1 1 301.390 1.092 40 0 DDABMO CC[N@@H+](C)[C@H]1COC2(C1)CCN(C(=O)c1cnc(C)cn1)CC2 ZINC000096220800 407253202 /nfs/dbraw/zinc/25/32/02/407253202.db2.gz WESAIJLXZYMZHS-CQSZACIVSA-N 1 1 318.421 1.500 40 0 DDABMO Cn1cc(N2C[C@@]3(CC[N@@H+](Cc4cccnc4)C3)CC2=O)cn1 ZINC000096239299 407254832 /nfs/dbraw/zinc/25/48/32/407254832.db2.gz NHVNUNNBJQXEJF-KRWDZBQOSA-N 1 1 311.389 1.444 40 0 DDABMO Cn1cc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)cn1 ZINC000096246253 407255510 /nfs/dbraw/zinc/25/55/10/407255510.db2.gz IKZBCQWXXLQXNE-CABCVRRESA-N 1 1 314.389 1.750 40 0 DDABMO Cn1cc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)cn1 ZINC000096246253 407255512 /nfs/dbraw/zinc/25/55/12/407255512.db2.gz IKZBCQWXXLQXNE-CABCVRRESA-N 1 1 314.389 1.750 40 0 DDABMO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccccc3F)C[C@H]21 ZINC000096043329 407226523 /nfs/dbraw/zinc/22/65/23/407226523.db2.gz VYTQFGBTLPSURW-IJEWVQPXSA-N 1 1 306.381 1.799 40 0 DDABMO c1cnc(N[C@H]2CO[C@@]3(CC[N@H+](CC4CCOCC4)C3)C2)nc1 ZINC000096047754 407227283 /nfs/dbraw/zinc/22/72/83/407227283.db2.gz JIVXQNRSGGPCQW-WBVHZDCISA-N 1 1 318.421 1.549 40 0 DDABMO CC(C)[N@H+]1CCOC[C@]2(CN(Cc3ccccn3)CCO2)C1 ZINC000096049733 407228567 /nfs/dbraw/zinc/22/85/67/407228567.db2.gz QIBDBACFVRQNPX-KRWDZBQOSA-N 1 1 305.422 1.393 40 0 DDABMO O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccco2)C1)N1CCCCO1 ZINC000096057668 407230407 /nfs/dbraw/zinc/23/04/07/407230407.db2.gz RZSYRWPLFGBLIB-NUEKZKHPSA-N 1 1 320.389 1.813 40 0 DDABMO Cc1noc(C[C@@H]2COC[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]32)n1 ZINC000096057256 407230582 /nfs/dbraw/zinc/23/05/82/407230582.db2.gz YYFLNFWYWQBJBT-OAGGEKHMSA-N 1 1 314.389 1.710 40 0 DDABMO O=C(NCC1CC1)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccn2)O1 ZINC000096057465 407230893 /nfs/dbraw/zinc/23/08/93/407230893.db2.gz JEWUJVKXENZWGA-BRWVUGGUSA-N 1 1 315.417 1.730 40 0 DDABMO COc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cnn(C)c2)ncn1 ZINC000096063978 407232549 /nfs/dbraw/zinc/23/25/49/407232549.db2.gz ADLLYIQLDRBQKN-KBPBESRZSA-N 1 1 314.393 1.072 40 0 DDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cccc(OC)c1)CC[C@@H]2OC ZINC000096109404 407237948 /nfs/dbraw/zinc/23/79/48/407237948.db2.gz FFNMTCLHABECBU-BBWFWOEESA-N 1 1 318.417 1.876 40 0 DDABMO CN(C)C(=O)[C@H]1Cn2nccc2C[N@H+](Cc2ccsc2)C1 ZINC000096188773 407245359 /nfs/dbraw/zinc/24/53/59/407245359.db2.gz DYAWGKHKJGUVAN-CYBMUJFWSA-N 1 1 304.419 1.665 40 0 DDABMO CN(C)C(=O)[C@H]1Cn2nccc2C[N@@H+](Cc2ccsc2)C1 ZINC000096188773 407245363 /nfs/dbraw/zinc/24/53/63/407245363.db2.gz DYAWGKHKJGUVAN-CYBMUJFWSA-N 1 1 304.419 1.665 40 0 DDABMO c1cnn(Cc2cnc3n2CC[N@H+](Cc2ccccn2)CC3)c1 ZINC000096196941 407247512 /nfs/dbraw/zinc/24/75/12/407247512.db2.gz DMCSCCBGXJJOJR-UHFFFAOYSA-N 1 1 308.389 1.581 40 0 DDABMO Cn1cccc1C[NH+]1CC2(C1)CCN(C(=O)c1cccnc1)C2 ZINC000096202727 407249466 /nfs/dbraw/zinc/24/94/66/407249466.db2.gz ZLYBKQSXHVBICV-UHFFFAOYSA-N 1 1 310.401 1.768 40 0 DDABMO O=C(c1cnccn1)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000096215546 407250638 /nfs/dbraw/zinc/25/06/38/407250638.db2.gz WTSYTFYWNMXXEH-QGZVFWFLSA-N 1 1 300.406 1.815 40 0 DDABMO Cc1ccsc1C(=O)N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257213073 407496594 /nfs/dbraw/zinc/49/65/94/407496594.db2.gz CGBXKPMOVSOWLA-JHJVBQTASA-N 1 1 310.419 1.010 40 0 DDABMO O=C(Nc1nccs1)[C@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257211953 407497636 /nfs/dbraw/zinc/49/76/36/407497636.db2.gz CBFOWILDPSNOLO-GFCCVEGCSA-N 1 1 306.366 1.699 40 0 DDABMO Cn1nc([C@@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)c2nccnc21 ZINC000257225304 407503190 /nfs/dbraw/zinc/50/31/90/407503190.db2.gz FFROMVGROGKPKJ-CHWSQXEVSA-N 1 1 301.394 1.579 40 0 DDABMO CNC(=O)[C@@]1(CCCc2ccccn2)CCC[N@@H+](CCOC)C1 ZINC000257241727 407513920 /nfs/dbraw/zinc/51/39/20/407513920.db2.gz HZJMZVSTUMFHNO-SFHVURJKSA-N 1 1 319.449 1.879 40 0 DDABMO COc1cccc(C[N@H+]2CC[C@H](O)[C@@H](NC(C)=O)CC2)c1F ZINC000257247849 407517726 /nfs/dbraw/zinc/51/77/26/407517726.db2.gz JAVMXMBTTWKJED-KBPBESRZSA-N 1 1 310.369 1.296 40 0 DDABMO CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@]1([NH3+])COC ZINC000218511874 407519461 /nfs/dbraw/zinc/51/94/61/407519461.db2.gz ILLLMTZITQXMCB-AVGNSLFASA-N 1 1 303.811 1.584 40 0 DDABMO CCOC[C@@]1([NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC ZINC000218530991 407521313 /nfs/dbraw/zinc/52/13/13/407521313.db2.gz OZRFEMVEMOUZPJ-HZSPNIEDSA-N 1 1 317.838 1.975 40 0 DDABMO C[N@H+]1CCC[C@@H]1C(=O)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257264145 407527162 /nfs/dbraw/zinc/52/71/62/407527162.db2.gz LTCIPKSHZSBBLT-OAHLLOKOSA-N 1 1 313.405 1.530 40 0 DDABMO CN(C)C(=O)COC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccoc1 ZINC000248044796 408527667 /nfs/dbraw/zinc/52/76/67/408527667.db2.gz WCSZDUOVMNTLLJ-XHSDSOJGSA-N 1 1 322.405 1.364 40 0 DDABMO CN(C)C(=O)COC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccoc1 ZINC000248044796 408527672 /nfs/dbraw/zinc/52/76/72/408527672.db2.gz WCSZDUOVMNTLLJ-XHSDSOJGSA-N 1 1 322.405 1.364 40 0 DDABMO Cc1ccc(CN(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575420434 422296731 /nfs/dbraw/zinc/29/67/31/422296731.db2.gz IACLIMNWCBWFQB-INIZCTEOSA-N 1 1 310.463 1.546 40 0 DDABMO COc1ccc([C@H](O)C[N@@H+]2CCc3c(nc(C)n3C)C2)cc1 ZINC000033726196 274117523 /nfs/dbraw/zinc/11/75/23/274117523.db2.gz IFSBHVXPLMGYKF-QGZVFWFLSA-N 1 1 301.390 1.829 40 0 DDABMO COc1ccc([C@H](O)C[N@H+]2CCc3c(nc(C)n3C)C2)cc1 ZINC000033726196 274117525 /nfs/dbraw/zinc/11/75/25/274117525.db2.gz IFSBHVXPLMGYKF-QGZVFWFLSA-N 1 1 301.390 1.829 40 0 DDABMO COc1ccc([C@H](O)CN2CCc3c([nH+]c(C)n3C)C2)cc1 ZINC000033726196 274117527 /nfs/dbraw/zinc/11/75/27/274117527.db2.gz IFSBHVXPLMGYKF-QGZVFWFLSA-N 1 1 301.390 1.829 40 0 DDABMO Cc1cc(N2CCN(C(=O)c3cscn3)CC2)nc(C)[nH+]1 ZINC000072368617 191138407 /nfs/dbraw/zinc/13/84/07/191138407.db2.gz DMXVOWAJXZIRMN-UHFFFAOYSA-N 1 1 303.391 1.512 40 0 DDABMO c1ccc(C[N@H+]2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)nc1 ZINC000096047724 353913965 /nfs/dbraw/zinc/91/39/65/353913965.db2.gz BBUFIYUDWGHPGR-RDJZCZTQSA-N 1 1 311.389 1.717 40 0 DDABMO C[N@H+]1CCO[C@@H]2CN(S(=O)(=O)c3cccs3)CC[C@@H]2C1 ZINC000096249552 283015664 /nfs/dbraw/zinc/01/56/64/283015664.db2.gz VKWWPXVECTVGHP-VXGBXAGGSA-N 1 1 316.448 1.089 40 0 DDABMO COC[C@H]1C[N@H+](C)C2(CN(S(=O)(=O)c3cccc(C)c3)C2)C1 ZINC000585093741 354803305 /nfs/dbraw/zinc/80/33/05/354803305.db2.gz 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407525638 /nfs/dbraw/zinc/52/56/38/407525638.db2.gz LONPOPNYYOXSQY-QGZVFWFLSA-N 1 1 301.434 1.988 40 0 DDABMO COC[C@H]1CC[N@@H+](C)C2(CN(Cc3ccc4c(c3)OCO4)C2)C1 ZINC000248093892 408535094 /nfs/dbraw/zinc/53/50/94/408535094.db2.gz CSALAQSYBVTRDT-HNNXBMFYSA-N 1 1 318.417 1.958 40 0 DDABMO C[NH+](C)CCCNc1nc(NC[C@@H]2CCCO2)cc(C2CC2)n1 ZINC000328970842 410028442 /nfs/dbraw/zinc/02/84/42/410028442.db2.gz DMSOEPQPMZOSSW-AWEZNQCLSA-N 1 1 319.453 1.152 40 0 DDABMO CNC(=O)[C@@H]1COC[C@H]2C[N@@H+](Cc3cccc(OC)c3)C[C@H]21 ZINC000097953303 332203356 /nfs/dbraw/zinc/20/33/56/332203356.db2.gz MDHSFCLHINUNEV-FVQBIDKESA-N 1 1 304.390 1.136 40 0 DDABMO COC[C@@]1([NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218040433 484146467 /nfs/dbraw/zinc/14/64/67/484146467.db2.gz AUWZGLJRCSXNJT-IXDOHACOSA-N 1 1 317.410 1.970 40 0 DDABMO Cc1ccsc1C[N@@H+]1C[C@H]2OC[C@@H](CNC(=O)N(C)C)[C@H]2C1 ZINC000306137598 534471103 /nfs/dbraw/zinc/47/11/03/534471103.db2.gz RAWTUAOFOSHJEU-MGPQQGTHSA-N 1 1 323.462 1.775 40 0 DDABMO COc1ccc([C@@H](C[C@@H]([NH3+])C(=O)[O-])[NH+]2CCCC2)cc1OC ZINC000409438151 568413286 /nfs/dbraw/zinc/41/32/86/568413286.db2.gz CGUSQFYPJMFMBT-CHWSQXEVSA-N 1 1 308.378 1.643 40 0 DDABMO C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)C1CCCC1)C2 ZINC000072373981 191139991 /nfs/dbraw/zinc/13/99/91/191139991.db2.gz RYNDNWULCVMVSS-ZDUSSCGKSA-N 1 1 303.410 1.577 40 0 DDABMO C[N@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)C1CCCC1)C2 ZINC000072373981 191139993 /nfs/dbraw/zinc/13/99/93/191139993.db2.gz RYNDNWULCVMVSS-ZDUSSCGKSA-N 1 1 303.410 1.577 40 0 DDABMO CN(C)C(=O)[C@@]1(C)C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072379659 191141411 /nfs/dbraw/zinc/14/14/11/191141411.db2.gz FXYMVTVLDPHTGM-GOSISDBHSA-N 1 1 313.401 1.914 40 0 DDABMO CN(C)C(=O)[C@@]1(C)C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072379659 191141412 /nfs/dbraw/zinc/14/14/12/191141412.db2.gz FXYMVTVLDPHTGM-GOSISDBHSA-N 1 1 313.401 1.914 40 0 DDABMO Cc1ccc(O[C@H](C)C(=O)NCCC[NH+]2CCOCC2)c(C)c1 ZINC000008496747 352135977 /nfs/dbraw/zinc/13/59/77/352135977.db2.gz HLRNMMCIRJAZRM-MRXNPFEDSA-N 1 1 320.433 1.909 40 0 DDABMO Cn1cccc(C(=O)N2CCC3(CCCC[N@H+]3C)CC2)c1=O ZINC000585102477 354807953 /nfs/dbraw/zinc/80/79/53/354807953.db2.gz ZAFIRJSZZMQQRY-UHFFFAOYSA-N 1 1 303.406 1.476 40 0 DDABMO CC[N@H+]1CCO[C@@H]2CN(C(=O)c3ccnc(F)c3)CC[C@@H]2C1 ZINC000585107970 354808748 /nfs/dbraw/zinc/80/87/48/354808748.db2.gz ODDHQTFNNSZJCQ-ZIAGYGMSSA-N 1 1 307.369 1.404 40 0 DDABMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@@H](C(N)=O)[C@@H]1O ZINC000585280209 354823273 /nfs/dbraw/zinc/82/32/73/354823273.db2.gz COFPACMGKISEMK-UPJWGTAASA-N 1 1 316.323 1.762 40 0 DDABMO Cc1nn(C)c2nc([C@@]3(C)CCC[N@H+](CC(N)=O)C3)ccc12 ZINC000257333452 203056146 /nfs/dbraw/zinc/05/61/46/203056146.db2.gz YBPRMOVPLJDWFY-INIZCTEOSA-N 1 1 301.394 1.116 40 0 DDABMO Cc1nn(C)c2nc([C@@]3(C)CCC[N@@H+](CC(N)=O)C3)ccc12 ZINC000257333452 203056150 /nfs/dbraw/zinc/05/61/50/203056150.db2.gz YBPRMOVPLJDWFY-INIZCTEOSA-N 1 1 301.394 1.116 40 0 DDABMO CCOc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2C)cc1OC ZINC000019533705 182129528 /nfs/dbraw/zinc/12/95/28/182129528.db2.gz SQNBRMTXJLAEGL-CWRNSKLLSA-N 1 1 320.433 1.733 40 0 DDABMO [NH3+][C@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000072227632 257122217 /nfs/dbraw/zinc/12/22/17/257122217.db2.gz LFBDARJRDSQXOR-HUUCEWRRSA-N 1 1 300.289 1.970 40 0 DDABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000072227557 257122407 /nfs/dbraw/zinc/12/24/07/257122407.db2.gz GJEKQFHJPBJSFV-CVEARBPZSA-N 1 1 312.325 1.839 40 0 DDABMO NCC1(C[NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000218035763 257131848 /nfs/dbraw/zinc/13/18/48/257131848.db2.gz BFJXUQYNYILNKN-HZPDHXFCSA-N 1 1 316.426 1.530 40 0 DDABMO CN1C(=O)c2cccnc2O[C@H]2C[N@@H+](Cc3cccs3)C[C@H]21 ZINC000514289577 257216243 /nfs/dbraw/zinc/21/62/43/257216243.db2.gz LGQMCKYPQBLJRG-KGLIPLIRSA-N 1 1 315.398 1.861 40 0 biogenic,in-vitro DDABMO CN1C(=O)c2cccnc2O[C@H]2C[N@H+](Cc3cccs3)C[C@H]21 ZINC000514289577 257216244 /nfs/dbraw/zinc/21/62/44/257216244.db2.gz LGQMCKYPQBLJRG-KGLIPLIRSA-N 1 1 315.398 1.861 40 0 biogenic,in-vitro DDABMO Cc1ncsc1C[N@H+]1C[C@H]2OC[C@H](C(=O)NCC3CC3)[C@H]2C1 ZINC000096216820 407252138 /nfs/dbraw/zinc/25/21/38/407252138.db2.gz YHLIULSRPJTSAU-HZSPNIEDSA-N 1 1 321.446 1.425 40 0 DDABMO CC[N@@H+]1CCN(C)C(=O)C12CCN(Cc1nccs1)CC2 ZINC000096230243 407254385 /nfs/dbraw/zinc/25/43/85/407254385.db2.gz UTKZFDWUDNJHQZ-UHFFFAOYSA-N 1 1 308.451 1.272 40 0 DDABMO CC[N@H+]1CCN(C)C(=O)C12CCN(Cc1nccs1)CC2 ZINC000096230243 407254386 /nfs/dbraw/zinc/25/43/86/407254386.db2.gz UTKZFDWUDNJHQZ-UHFFFAOYSA-N 1 1 308.451 1.272 40 0 DDABMO O=C([C@@H]1COC[C@H]2C[N@@H+](CC3CC3)C[C@H]21)N1CCC(F)CC1 ZINC000096038633 407224908 /nfs/dbraw/zinc/22/49/08/407224908.db2.gz HPOWQSSBXMXGNG-FVQBIDKESA-N 1 1 310.413 1.551 40 0 DDABMO O=C(c1cccnc1)N1CCC2(C[NH+](Cc3cccnc3)C2)C1 ZINC000096046460 407227514 /nfs/dbraw/zinc/22/75/14/407227514.db2.gz UAWOTMMOKWLCDA-UHFFFAOYSA-N 1 1 308.385 1.825 40 0 DDABMO c1ccc(C[N@@H+]2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)nc1 ZINC000096056253 407229903 /nfs/dbraw/zinc/22/99/03/407229903.db2.gz QAPOAVHMAXIEDG-RYQLBKOJSA-N 1 1 317.433 1.251 40 0 DDABMO O=C(C[C@@H]1COC[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21)NC1CC1 ZINC000096057278 407230428 /nfs/dbraw/zinc/23/04/28/407230428.db2.gz JMUWATKFTLBWSK-BZPMIXESSA-N 1 1 321.446 1.506 40 0 DDABMO c1cc(C[N@@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)co1 ZINC000096062499 407233150 /nfs/dbraw/zinc/23/31/50/407233150.db2.gz NLERZACRCTXHQR-QGZVFWFLSA-N 1 1 314.389 1.799 40 0 DDABMO c1cc(C[N@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)co1 ZINC000096062499 407233152 /nfs/dbraw/zinc/23/31/52/407233152.db2.gz NLERZACRCTXHQR-QGZVFWFLSA-N 1 1 314.389 1.799 40 0 DDABMO O=C(C1CC(F)(F)C1)N1C[C@@H]2C[N@@H+](CC3CC3)CCO[C@@H]2C1 ZINC000096107991 407238077 /nfs/dbraw/zinc/23/80/77/407238077.db2.gz LBNXRYVTPSGZKS-UONOGXRCSA-N 1 1 314.376 1.601 40 0 DDABMO COCC[N@H+]1C[C@H]2[C@@H](C1)N(CCc1ccccc1)CC[C@@H]2OC ZINC000096111064 407238915 /nfs/dbraw/zinc/23/89/15/407238915.db2.gz KUNAOTBWDHFRMK-OTWHNJEPSA-N 1 1 318.461 1.897 40 0 DDABMO COCCN1C[C@H]2[C@@H](C1)[N@H+](CCc1ccccc1)CC[C@@H]2OC ZINC000096111064 407238917 /nfs/dbraw/zinc/23/89/17/407238917.db2.gz KUNAOTBWDHFRMK-OTWHNJEPSA-N 1 1 318.461 1.897 40 0 DDABMO COCCN1C[C@H]2[C@@H](C1)[N@@H+](CCc1ccccc1)CC[C@@H]2OC ZINC000096111064 407238920 /nfs/dbraw/zinc/23/89/20/407238920.db2.gz KUNAOTBWDHFRMK-OTWHNJEPSA-N 1 1 318.461 1.897 40 0 DDABMO Cn1cccc1C[N@@H+]1C[C@H]2CN(C(=O)c3cnccn3)C[C@H]2C1 ZINC000096182291 407243705 /nfs/dbraw/zinc/24/37/05/407243705.db2.gz GYPNRKUFAYZLDN-OKILXGFUSA-N 1 1 311.389 1.019 40 0 DDABMO CN(C)C(=O)NC[C@@H]1OC[C@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]12 ZINC000096185272 407244667 /nfs/dbraw/zinc/24/46/67/407244667.db2.gz YEJXMKADUSKNKZ-KFWWJZLASA-N 1 1 307.394 1.388 40 0 DDABMO C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3nccs3)CC[C@@H]21 ZINC000096185606 407244746 /nfs/dbraw/zinc/24/47/46/407244746.db2.gz DXPCACLANUDGHN-RDBSUJKOSA-N 1 1 318.450 1.329 40 0 DDABMO Cc1ccc(C[N@H+]2C[C@H](NC(=O)N(C)C)[C@H]3OCCC[C@H]32)o1 ZINC000096186839 407245768 /nfs/dbraw/zinc/24/57/68/407245768.db2.gz DIHRIWYYAXTRMC-RRFJBIMHSA-N 1 1 307.394 1.591 40 0 DDABMO Cc1ccc(C[N@@H+]2C[C@H](NC(=O)N(C)C)[C@H]3OCCC[C@H]32)o1 ZINC000096186839 407245770 /nfs/dbraw/zinc/24/57/70/407245770.db2.gz DIHRIWYYAXTRMC-RRFJBIMHSA-N 1 1 307.394 1.591 40 0 DDABMO COC[C@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)Cc1ccccc1F)C2 ZINC000096214964 407250353 /nfs/dbraw/zinc/25/03/53/407250353.db2.gz RBEGWCGJWYGPPJ-CRAIPNDOSA-N 1 1 320.408 1.795 40 0 DDABMO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3CC(=O)N(C)C)s1 ZINC000107251658 407371667 /nfs/dbraw/zinc/37/16/67/407371667.db2.gz XIQGPTANKSBQCQ-UONOGXRCSA-N 1 1 321.446 1.320 40 0 DDABMO Cc1ccoc1C(=O)N1CC[C@@H]2OCC[N@H+](CC3CC3)[C@H]2C1 ZINC000108532861 407387684 /nfs/dbraw/zinc/38/76/84/407387684.db2.gz SRKQRGXVSFROBO-GJZGRUSLSA-N 1 1 304.390 1.913 40 0 DDABMO Cc1ccoc1C(=O)N1CC[C@@H]2OCC[N@@H+](CC3CC3)[C@H]2C1 ZINC000108532861 407387686 /nfs/dbraw/zinc/38/76/86/407387686.db2.gz SRKQRGXVSFROBO-GJZGRUSLSA-N 1 1 304.390 1.913 40 0 DDABMO COc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cnn(C)c2)ncn1 ZINC000107768209 407379531 /nfs/dbraw/zinc/37/95/31/407379531.db2.gz ADLLYIQLDRBQKN-KGLIPLIRSA-N 1 1 314.393 1.072 40 0 DDABMO CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(OC(C)C)c2)CC[C@@H]1O ZINC000257250117 407517030 /nfs/dbraw/zinc/51/70/30/407517030.db2.gz JLCFXBMSNICXSI-ROUUACIJSA-N 1 1 320.433 1.935 40 0 DDABMO CCOC[C@]1([NH3+])[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218604218 407521048 /nfs/dbraw/zinc/52/10/48/407521048.db2.gz VDTDCTAXVYYPDW-IHRRRGAJSA-N 1 1 301.383 1.460 40 0 DDABMO COCC[N@H+]1CCC[C@@](CCCc2ccccn2)(C(N)=O)C1 ZINC000257259261 407524331 /nfs/dbraw/zinc/52/43/31/407524331.db2.gz KXNQOOBCWVLXCI-QGZVFWFLSA-N 1 1 305.422 1.618 40 0 DDABMO COCC(=O)N1CCC(c2cccc(-n3cc[nH+]c3C)n2)CC1 ZINC000072378915 191140700 /nfs/dbraw/zinc/14/07/00/191140700.db2.gz BSOCFRDBRCRJFP-UHFFFAOYSA-N 1 1 314.389 1.928 40 0 DDABMO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCC[N@H+]2CCO)n1 ZINC000072382632 191143025 /nfs/dbraw/zinc/14/30/25/191143025.db2.gz SHOQJXMVRGJASF-AWEZNQCLSA-N 1 1 314.393 1.838 40 0 DDABMO c1ccc(C[N@H+]2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)nc1 ZINC000096047725 353914392 /nfs/dbraw/zinc/91/43/92/353914392.db2.gz BBUFIYUDWGHPGR-DOTOQJQBSA-N 1 1 311.389 1.717 40 0 DDABMO CO[C@]1(CCC(=O)N(C)C)CCC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000585276066 354820263 /nfs/dbraw/zinc/82/02/63/354820263.db2.gz LPZBNZBZGBSZCJ-INIZCTEOSA-N 1 1 308.426 1.568 40 0 DDABMO CCCc1ncc(C[N@H+]2CC[C@@H](OC)[C@H](CC(=O)NC)C2)cn1 ZINC000585276670 354820785 /nfs/dbraw/zinc/82/07/85/354820785.db2.gz OUFODUAJIXGPSS-HUUCEWRRSA-N 1 1 320.437 1.402 40 0 DDABMO COc1ccc(C2(O)CC[NH+](CC(=O)NC3CC3)CC2)cc1 ZINC000004967660 181180322 /nfs/dbraw/zinc/18/03/22/181180322.db2.gz CPQOGSKSHOXDQK-UHFFFAOYSA-N 1 1 304.390 1.257 40 0 DDABMO C[N@H+]1C[C@@H]2COCCN2C2(CN(Cc3ccccc3F)C2)C1 ZINC000604381637 359744892 /nfs/dbraw/zinc/74/48/92/359744892.db2.gz IMHMTODMLJJACO-OAHLLOKOSA-N 1 1 305.397 1.026 40 0 biogenic,in-vitro DDABMO Cc1nc(N)cc([C@H]2CCCN2C(=O)C[N@H+](C)C2CCCC2)n1 ZINC000257217381 202951799 /nfs/dbraw/zinc/95/17/99/202951799.db2.gz CYRZTYCTJKFPQM-OAHLLOKOSA-N 1 1 317.437 1.905 40 0 DDABMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(C)=O)CC2 ZINC000096219816 285008954 /nfs/dbraw/zinc/00/89/54/285008954.db2.gz FLFPFRPQVHMTSH-KRWDZBQOSA-N 1 1 324.465 1.762 40 0 DDABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218487378 257130991 /nfs/dbraw/zinc/13/09/91/257130991.db2.gz ONIIGKKBVHFCNV-AVGNSLFASA-N 1 1 303.811 1.584 40 0 DDABMO CCC[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)COC)[C@@H]1c1ccccc1 ZINC000514288768 257216157 /nfs/dbraw/zinc/21/61/57/257216157.db2.gz BNHMVJZPTSLRSI-OKZBNKHCSA-N 1 1 320.433 1.726 40 0 biogenic,in-vitro DDABMO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000034115039 406964398 /nfs/dbraw/zinc/96/43/98/406964398.db2.gz ZNTAMLNNPDZFSI-NFAWXSAZSA-N 1 1 323.389 1.322 40 0 DDABMO C[NH+]1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1 ZINC000041184152 407006554 /nfs/dbraw/zinc/00/65/54/407006554.db2.gz CIRLICBRTBHVOX-UHFFFAOYSA-N 1 1 306.391 1.505 40 0 DDABMO Cc1cccc(C[N@H+]2C[C@@H]3COC[C@]3(C(=O)N3CCCO3)C2)n1 ZINC000096217739 407251588 /nfs/dbraw/zinc/25/15/88/407251588.db2.gz QHXBZSDTVYJLNK-RHSMWYFYSA-N 1 1 317.389 1.002 40 0 DDABMO Cn1ccnc1CN1CC[C@H]2OCC[N@@H+](CC3CC3)[C@@H]2CC1 ZINC000096249310 407256037 /nfs/dbraw/zinc/25/60/37/407256037.db2.gz FKIFHMHNOSPOFO-HZPDHXFCSA-N 1 1 304.438 1.495 40 0 DDABMO O=C(c1cnccn1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2CC1CCCC1 ZINC000096248707 407256209 /nfs/dbraw/zinc/25/62/09/407256209.db2.gz AMYABHOWNPIXCK-CVEARBPZSA-N 1 1 316.405 1.192 40 0 DDABMO O=C(c1cnccn1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2CC1CCCC1 ZINC000096248707 407256211 /nfs/dbraw/zinc/25/62/11/407256211.db2.gz AMYABHOWNPIXCK-CVEARBPZSA-N 1 1 316.405 1.192 40 0 DDABMO CC[N@@H+]1CCc2nc(N3CCOCC3)nc(NC(C)C)c2C1 ZINC000096254293 407257163 /nfs/dbraw/zinc/25/71/63/407257163.db2.gz 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CC(C)N1C[C@]2(CCC[N@@H+](Cc3cnc(Cl)cn3)C2)C1=O ZINC000585099682 354807110 /nfs/dbraw/zinc/80/71/10/354807110.db2.gz XEFPKIKKUCPCPE-OAHLLOKOSA-N 1 1 308.813 1.963 40 0 DDABMO CO[C@H]1C[N@@H+](Cc2[nH]cnc2C)C[C@@H]1CC(=O)N1CCCC1 ZINC000585276417 354820188 /nfs/dbraw/zinc/82/01/88/354820188.db2.gz OLZYZEDLGRCKFU-ZFWWWQNUSA-N 1 1 306.410 1.177 40 0 DDABMO COc1ccc(C[N@H+]2CCC[C@@](O)(CCC(N)=O)C2)c(F)c1 ZINC000585277572 354821839 /nfs/dbraw/zinc/82/18/39/354821839.db2.gz IXIMAWVUBPJFNA-MRXNPFEDSA-N 1 1 310.369 1.427 40 0 DDABMO O[C@H]1C[N@@H+](CC2(O)CCOCC2)CC[C@@H]1Cc1cccc(F)c1 ZINC000585280165 354823057 /nfs/dbraw/zinc/82/30/57/354823057.db2.gz YXODJEKASUMZQZ-WBVHZDCISA-N 1 1 323.408 1.593 40 0 DDABMO CCc1[nH+]ccn1CCC(=O)N1CCO[C@@H](c2nc(C)c[nH]2)C1 ZINC000257234631 202967259 /nfs/dbraw/zinc/96/72/59/202967259.db2.gz GULMYEDMOGQKOD-CYBMUJFWSA-N 1 1 317.393 1.467 40 0 DDABMO O=C(CC1CCCC1)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257292937 203017967 /nfs/dbraw/zinc/01/79/67/203017967.db2.gz 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O=C(c1cnccn1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000096215544 407250439 /nfs/dbraw/zinc/25/04/39/407250439.db2.gz WTSYTFYWNMXXEH-KRWDZBQOSA-N 1 1 300.406 1.815 40 0 DDABMO Cc1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCC(=O)N2CC1CC1 ZINC000067897119 407289234 /nfs/dbraw/zinc/28/92/34/407289234.db2.gz MIQFNDHXRIOCPC-SJORKVTESA-N 1 1 300.402 1.817 40 0 biogenic,in-vitro DDABMO Cc1ncsc1C[N@H+]1CCC2(CC(NS(C)(=O)=O)C2)C1 ZINC000108535744 407387754 /nfs/dbraw/zinc/38/77/54/407387754.db2.gz AOLPIMWLUDUDRU-UHFFFAOYSA-N 1 1 315.464 1.355 40 0 DDABMO Cn1cncc1C[N@H+]1CC[C@]2(CCC[C@@H]2C(=O)NCC2CC2)C1 ZINC000108535725 407387840 /nfs/dbraw/zinc/38/78/40/407387840.db2.gz NIDQVABYGPPTRP-SJLPKXTDSA-N 1 1 316.449 1.939 40 0 DDABMO O=C(C[C@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@@H]12)NCc1ccco1 ZINC000107745981 407379629 /nfs/dbraw/zinc/37/96/29/407379629.db2.gz DQDXZCZRKPDPFL-BJWYYQGGSA-N 1 1 318.417 1.890 40 0 DDABMO CCn1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)cn1 ZINC000257207163 407492607 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c1ccc(C[N@H+]2CCc3ncnc([C@@H]4CCOC4)c3CC2)nc1 ZINC000096058649 275067093 /nfs/dbraw/zinc/06/70/93/275067093.db2.gz XVDDMSIRYBUXJN-CQSZACIVSA-N 1 1 310.401 1.976 40 0 DDABMO CC(=O)NCc1cncc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072355769 277038175 /nfs/dbraw/zinc/03/81/75/277038175.db2.gz UPAYYXVMHUIOOI-MRXNPFEDSA-N 1 1 304.394 1.429 40 0 DDABMO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccccc3)CC[C@@H]2C1 ZINC000096249563 277121920 /nfs/dbraw/zinc/12/19/20/277121920.db2.gz GVCWUZOHJPDUCJ-HZPDHXFCSA-N 1 1 303.406 1.549 40 0 DDABMO C[NH+]1CCN(c2ncc(-c3cnccn3)c(-c3ccoc3)n2)CC1 ZINC000012326587 536425391 /nfs/dbraw/zinc/42/53/91/536425391.db2.gz MRASFYRQQQLBAZ-UHFFFAOYSA-N 1 1 322.372 1.945 40 0 DDABMO NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(Nc3ncccn3)c2)C1 ZINC000072367865 191136629 /nfs/dbraw/zinc/13/66/29/191136629.db2.gz FVTDUAXOVYUZAZ-CYBMUJFWSA-N 1 1 312.377 1.280 40 0 DDABMO NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(Nc3ncccn3)c2)C1 ZINC000072367865 191136632 /nfs/dbraw/zinc/13/66/32/191136632.db2.gz FVTDUAXOVYUZAZ-CYBMUJFWSA-N 1 1 312.377 1.280 40 0 DDABMO CNc1ccc(C[C@H]2CCCN(c3cc(N)nc(C)[nH+]3)C2)nn1 ZINC000072387361 191145100 /nfs/dbraw/zinc/14/51/00/191145100.db2.gz WYCAFHVQLSIUHA-GFCCVEGCSA-N 1 1 313.409 1.658 40 0 DDABMO COCC[N@H+]1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104385 354808053 /nfs/dbraw/zinc/80/80/53/354808053.db2.gz LQANLTGJPBWANZ-KRWDZBQOSA-N 1 1 322.380 1.527 40 0 DDABMO COc1cccc(C2(O)CC[NH+](CC(=O)NCC3CC3)CC2)c1 ZINC000004985082 181184189 /nfs/dbraw/zinc/18/41/89/181184189.db2.gz FWLCPBJHWKXKTR-UHFFFAOYSA-N 1 1 318.417 1.505 40 0 DDABMO O=C(CC[NH+]1CCOCC1)N1CCC(Cc2ccncc2)CC1 ZINC000257295739 203021422 /nfs/dbraw/zinc/02/14/22/203021422.db2.gz QZQRZUCCTZCOSF-UHFFFAOYSA-N 1 1 317.433 1.585 40 0 DDABMO C[NH+](C)Cc1c[nH]c([C@H]2CN(Cc3ccccn3)CCO2)n1 ZINC000257316295 203039854 /nfs/dbraw/zinc/03/98/54/203039854.db2.gz VEZDJMIWSYJNGB-OAHLLOKOSA-N 1 1 301.394 1.440 40 0 DDABMO Cc1cnn(CC(=O)N[C@H]2CCCN(c3cccc(C)[nH+]3)C2)c1 ZINC000257316398 203041743 /nfs/dbraw/zinc/04/17/43/203041743.db2.gz VFKVPEPXBHNPGX-HNNXBMFYSA-N 1 1 313.405 1.680 40 0 DDABMO CC[C@@H](Oc1cccc(C)c1)C(=O)NCCC[NH+]1CCOCC1 ZINC000020459767 182220247 /nfs/dbraw/zinc/22/02/47/182220247.db2.gz OOQOGEFWOIBMEC-QGZVFWFLSA-N 1 1 320.433 1.991 40 0 DDABMO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C1(CN)C[NH3+] ZINC000218374991 257130666 /nfs/dbraw/zinc/13/06/66/257130666.db2.gz QQRFFSGSVLZIJO-VXGBXAGGSA-N 1 1 302.827 1.144 40 0 DDABMO COc1ncc(C2(O)CC[NH+](Cc3ccoc3)CC2)c(OC)n1 ZINC000012186349 406838191 /nfs/dbraw/zinc/83/81/91/406838191.db2.gz PWMWZUKEBATNLJ-UHFFFAOYSA-N 1 1 319.361 1.570 40 0 DDABMO C[C@H](O)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)[NH+]1CCOCC1 ZINC000022858733 406890372 /nfs/dbraw/zinc/89/03/72/406890372.db2.gz DZJBWPMAQOFXPB-RYQLBKOJSA-N 1 1 320.433 1.142 40 0 DDABMO CN(C)CC[N@H+]1CCCC12CCN(C(=O)c1ccco1)CC2 ZINC000096227908 407253681 /nfs/dbraw/zinc/25/36/81/407253681.db2.gz PZDGHDPKRKBDNN-UHFFFAOYSA-N 1 1 305.422 1.912 40 0 DDABMO CC(=O)N1CCC2(C[N@H+](CC(C)C)C[C@@]23CCNC3=O)CC1 ZINC000096243915 407254776 /nfs/dbraw/zinc/25/47/76/407254776.db2.gz RYZMZHQJJQCEIJ-QGZVFWFLSA-N 1 1 307.438 1.093 40 0 DDABMO Cn1ccnc1CN1CC[C@H]2OCC[N@@H+](CC3CC3)[C@H]2CC1 ZINC000096249311 407255760 /nfs/dbraw/zinc/25/57/60/407255760.db2.gz FKIFHMHNOSPOFO-JKSUJKDBSA-N 1 1 304.438 1.495 40 0 DDABMO Cc1noc(C)c1C[N@@H+]1CC[C@H]2OCC[C@@]2(C(=O)N(C)C)C1 ZINC000096038690 407224346 /nfs/dbraw/zinc/22/43/46/407224346.db2.gz QTKOAOWBLMWKRI-GDBMZVCRSA-N 1 1 307.394 1.361 40 0 DDABMO C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000096051926 407228201 /nfs/dbraw/zinc/22/82/01/407228201.db2.gz AHMCWAIJFFOKDU-HZPDHXFCSA-N 1 1 310.463 1.917 40 0 DDABMO c1cc(C[N@H+]2CCc3ncnc([C@@H]4CCOC4)c3CC2)ccn1 ZINC000096058653 407230910 /nfs/dbraw/zinc/23/09/10/407230910.db2.gz QTSMQTTVMRLMFG-OAHLLOKOSA-N 1 1 310.401 1.976 40 0 DDABMO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCOCC2)O1)N1CCCO1 ZINC000096057577 407231018 /nfs/dbraw/zinc/23/10/18/407231018.db2.gz HVVRYVDLHNAPFN-BZUAXINKSA-N 1 1 324.421 1.199 40 0 DDABMO O=C([C@@H]1C[C@@H]2CC[N@H+](Cc3ccco3)C[C@H]2O1)N1CCCCO1 ZINC000096066245 407233788 /nfs/dbraw/zinc/23/37/88/407233788.db2.gz PPTYBMLCGVNXMM-CWRNSKLLSA-N 1 1 320.389 1.813 40 0 DDABMO O=C([C@@H]1C[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]2O1)N1CCCCO1 ZINC000096066245 407233791 /nfs/dbraw/zinc/23/37/91/407233791.db2.gz PPTYBMLCGVNXMM-CWRNSKLLSA-N 1 1 320.389 1.813 40 0 DDABMO COCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096100143 407236832 /nfs/dbraw/zinc/23/68/32/407236832.db2.gz GMULQVDQODBKIN-KRWDZBQOSA-N 1 1 303.406 1.543 40 0 DDABMO CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000096108696 407237259 /nfs/dbraw/zinc/23/72/59/407237259.db2.gz KVNPEMUSMPHHLL-AEFFLSMTSA-N 1 1 318.417 1.240 40 0 DDABMO COCC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1ccccc1)CC[C@H]2OC ZINC000096110980 407238776 /nfs/dbraw/zinc/23/87/76/407238776.db2.gz ZBFGLHZHHUEPLY-GVDBMIGSSA-N 1 1 318.417 1.494 40 0 DDABMO Cc1nc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CCOC4)C[C@H]3C2)cs1 ZINC000096161534 407242202 /nfs/dbraw/zinc/24/22/02/407242202.db2.gz WNHWHXFAOUUGSJ-MCIONIFRSA-N 1 1 321.446 1.378 40 0 DDABMO Cc1nc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CCOC4)C[C@H]3C2)cs1 ZINC000096161534 407242205 /nfs/dbraw/zinc/24/22/05/407242205.db2.gz WNHWHXFAOUUGSJ-MCIONIFRSA-N 1 1 321.446 1.378 40 0 DDABMO O=C([C@@H]1CCOC1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC000096161680 407242311 /nfs/dbraw/zinc/24/23/11/407242311.db2.gz MJVVGQYNGJUHKN-UPJWGTAASA-N 1 1 307.419 1.070 40 0 DDABMO O=C([C@@H]1CCOC1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC000096161680 407242313 /nfs/dbraw/zinc/24/23/13/407242313.db2.gz MJVVGQYNGJUHKN-UPJWGTAASA-N 1 1 307.419 1.070 40 0 DDABMO O=C(c1ccco1)N1CC[C@H]2[C@@H]1CC[N@H+]2CC1CCOCC1 ZINC000096184438 407244179 /nfs/dbraw/zinc/24/41/79/407244179.db2.gz WVTXVOZZPFIHRI-GJZGRUSLSA-N 1 1 304.390 1.995 40 0 DDABMO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccs2)cn1 ZINC000096184532 407244966 /nfs/dbraw/zinc/24/49/66/407244966.db2.gz SAVHYBXTXAETFR-CABCVRRESA-N 1 1 316.430 1.971 40 0 DDABMO O=C(c1ccsc1)N1C[C@@H]2COC[C@]2(C[NH+]2CCOCC2)C1 ZINC000096206060 407249697 /nfs/dbraw/zinc/24/96/97/407249697.db2.gz FHNISOVQHRCXHD-ZBFHGGJFSA-N 1 1 322.430 1.169 40 0 DDABMO CS(=O)(=O)N1CCC[C@]12CCC[N@H+](Cc1ccccn1)C2 ZINC000096215092 407250652 /nfs/dbraw/zinc/25/06/52/407250652.db2.gz FTPYOFRAMWHVNZ-HNNXBMFYSA-N 1 1 309.435 1.472 40 0 DDABMO CS(=O)(=O)N1CCC[C@]12CCC[N@@H+](Cc1ccccn1)C2 ZINC000096215092 407250653 /nfs/dbraw/zinc/25/06/53/407250653.db2.gz FTPYOFRAMWHVNZ-HNNXBMFYSA-N 1 1 309.435 1.472 40 0 DDABMO Cc1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3CC2CCOCC2)nc1 ZINC000107199382 407370619 /nfs/dbraw/zinc/37/06/19/407370619.db2.gz XPNAFKOPAASECM-JKSUJKDBSA-N 1 1 302.422 1.865 40 0 DDABMO CS(=O)(=O)N1CCO[C@H]2CC[N@@H+](C[C@H]3CC=CCC3)C[C@@H]21 ZINC000108526839 407386752 /nfs/dbraw/zinc/38/67/52/407386752.db2.gz AQIFIFHENHMZBS-KKUMJFAQSA-N 1 1 314.451 1.077 40 0 DDABMO Cc1nn(C)cc1CN1CC[C@@H]2OCC[N@@H+](CC3CC3)[C@H]2C1 ZINC000108532302 407387630 /nfs/dbraw/zinc/38/76/30/407387630.db2.gz DQYDOOKSKCJIIO-IRXDYDNUSA-N 1 1 304.438 1.414 40 0 DDABMO Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 ZINC000108532302 407387632 /nfs/dbraw/zinc/38/76/32/407387632.db2.gz DQYDOOKSKCJIIO-IRXDYDNUSA-N 1 1 304.438 1.414 40 0 DDABMO Cc1nn(C)cc1C[N@H+]1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 ZINC000108532302 407387633 /nfs/dbraw/zinc/38/76/33/407387633.db2.gz DQYDOOKSKCJIIO-IRXDYDNUSA-N 1 1 304.438 1.414 40 0 DDABMO CC(C)NC(=O)[C@H]1C[N@H+](Cc2cncc(Cl)c2)[C@@H]2CCO[C@@H]21 ZINC000108530508 407387784 /nfs/dbraw/zinc/38/77/84/407387784.db2.gz MUPLRPMSSWNNEC-RRFJBIMHSA-N 1 1 323.824 1.849 40 0 DDABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2cncc(Cl)c2)[C@@H]2CCO[C@@H]21 ZINC000108530508 407387785 /nfs/dbraw/zinc/38/77/85/407387785.db2.gz MUPLRPMSSWNNEC-RRFJBIMHSA-N 1 1 323.824 1.849 40 0 DDABMO O=C1CO[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2N1C1CCOCC1 ZINC000257218904 407501219 /nfs/dbraw/zinc/50/12/19/407501219.db2.gz DEUWHHSANJSSTB-IRXDYDNUSA-N 1 1 316.401 1.277 40 0 DDABMO CC(C)n1nccc1C[N@H+]1CC[C@@H]2OCC(=O)N(C)[C@H]2CC1 ZINC000257224286 407504846 /nfs/dbraw/zinc/50/48/46/407504846.db2.gz FBDQAZPPBGVWRX-GJZGRUSLSA-N 1 1 306.410 1.286 40 0 DDABMO Cc1cnc(C2(C)CC[NH+](CC(=O)N3CCOCC3)CC2)s1 ZINC000257259414 407522708 /nfs/dbraw/zinc/52/27/08/407522708.db2.gz KYGLSEQXJQXLBN-UHFFFAOYSA-N 1 1 323.462 1.664 40 0 DDABMO C[C@@]1(O)C[N@H+](C2CCCCC2)CC[C@H]1n1ccc(=O)[nH]c1=O ZINC000257331304 407533798 /nfs/dbraw/zinc/53/37/98/407533798.db2.gz XSHBHYRDSDTOMB-CZUORRHYSA-N 1 1 307.394 1.279 40 0 DDABMO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(c1ncccn1)CC2 ZINC000247915677 408515864 /nfs/dbraw/zinc/51/58/64/408515864.db2.gz ZGIOVHRZYICAPF-HNNXBMFYSA-N 1 1 320.437 1.288 40 0 DDABMO COc1ccc2c(c1)CCN(c1cc(NCCO)nc(C)[nH+]1)C2 ZINC000329008511 410048996 /nfs/dbraw/zinc/04/89/96/410048996.db2.gz LRTWMYIZJCVNTO-UHFFFAOYSA-N 1 1 314.389 1.761 40 0 DDABMO C[C@]1([NH2+]CCNCc2cccc(F)c2)CCS(=O)(=O)C1 ZINC000575423070 422297417 /nfs/dbraw/zinc/29/74/17/422297417.db2.gz XZQANLRJKPZLFV-AWEZNQCLSA-N 1 1 300.399 1.082 40 0 DDABMO CNC(=O)[C@]1(C)C[N@H+](Cc2ccccc2N2CCCC2)CCO1 ZINC000257312610 277255428 /nfs/dbraw/zinc/25/54/28/277255428.db2.gz UOTVIMCFFYATOA-SFHVURJKSA-N 1 1 317.433 1.624 40 0 DDABMO CNC(=O)[C@]1(C)C[N@@H+](Cc2ccccc2N2CCCC2)CCO1 ZINC000257312610 277255429 /nfs/dbraw/zinc/25/54/29/277255429.db2.gz UOTVIMCFFYATOA-SFHVURJKSA-N 1 1 317.433 1.624 40 0 DDABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1ccncc1)C2)[C@H]3O ZINC000257206909 290318051 /nfs/dbraw/zinc/31/80/51/290318051.db2.gz BFLFKRLWHZXEKL-FDPKGLCPSA-N 1 1 315.417 1.387 40 0 DDABMO CN(C)C(=O)NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]12 ZINC000306135634 231087236 /nfs/dbraw/zinc/08/72/36/231087236.db2.gz OWHPGZSRSLKTQS-MGPQQGTHSA-N 1 1 309.435 1.466 40 0 DDABMO COC[C@@H]1CC[N@H+](C)C2(CN(C(=O)c3cc(C4CC4)on3)C2)C1 ZINC000306138378 231088971 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CC(C)[N@H+]1CCC[C@H](Cc2ccc(NCC[S@](C)=O)nn2)C1 ZINC000225459490 407586205 /nfs/dbraw/zinc/58/62/05/407586205.db2.gz JQGWXVDJAOIBFZ-PEBXRYMYSA-N 1 1 324.494 1.930 40 0 DDABMO O=C1CO[C@@H]2C[N@H+](CC3CC3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000257258076 407522830 /nfs/dbraw/zinc/52/28/30/407522830.db2.gz KSILJNMPULGIAN-HZPDHXFCSA-N 1 1 304.365 1.647 40 0 DDABMO C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCCC3)C[C@@H](C(N)=O)C1 ZINC000257264107 407527143 /nfs/dbraw/zinc/52/71/43/407527143.db2.gz LSZMWFFOTPKDAO-INIZCTEOSA-N 1 1 315.417 1.055 40 0 DDABMO C[NH+]1CCN(c2nc(N)nc3c2CN(c2ccccc2)C3)CC1 ZINC000536555939 421720110 /nfs/dbraw/zinc/72/01/10/421720110.db2.gz KPRNZVZCDGQGRF-UHFFFAOYSA-N 1 1 310.405 1.331 40 0 DDABMO CN1CCC([N@@H+]2CC[C@@H](CO)N(C)c3cccnc3C2)CC1 ZINC000225496309 277027211 /nfs/dbraw/zinc/02/72/11/277027211.db2.gz KMXBYQCKHKSUPE-HNNXBMFYSA-N 1 1 304.438 1.179 40 0 biogenic,in-vitro DDABMO CN1CCC([N@H+]2CC[C@@H](CO)N(C)c3cccnc3C2)CC1 ZINC000225496309 277027212 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COc1ccc([C@H]2CNCC[N@H+]2CC2(O)CCOCC2)cc1 ZINC000257247983 295250336 /nfs/dbraw/zinc/25/03/36/295250336.db2.gz JBMLLKPBGACLLH-MRXNPFEDSA-N 1 1 306.406 1.183 40 0 DDABMO CO[C@H]1C=C[C@]23c4cc5c(cc4C[N@H+](C[C@@H]2O)[C@H]3C1)OCO5 ZINC000008652224 696036036 /nfs/dbraw/zinc/03/60/36/696036036.db2.gz YGPRSGKVLATIHT-GNCDUGFZSA-N 1 1 301.342 1.187 40 0 DDABMO C[N@H+](CCN)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391760 185168432 /nfs/dbraw/zinc/16/84/32/185168432.db2.gz PHYROUYFEVGQGZ-UHFFFAOYSA-N 1 1 305.422 1.926 40 0 DDABMO C[N@@H+](CCN)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391760 185168433 /nfs/dbraw/zinc/16/84/33/185168433.db2.gz PHYROUYFEVGQGZ-UHFFFAOYSA-N 1 1 305.422 1.926 40 0 DDABMO COCC(=O)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000072378909 191141817 /nfs/dbraw/zinc/14/18/17/191141817.db2.gz YPPUVGJCMDEOQH-CQSZACIVSA-N 1 1 314.389 1.928 40 0 DDABMO Cn1cnc2c1C[C@@H](CNc1ncccn1)[N@H+](CC1CCC1)C2 ZINC000585094543 354803704 /nfs/dbraw/zinc/80/37/04/354803704.db2.gz APLIZZIMPMNUDI-AWEZNQCLSA-N 1 1 312.421 1.849 40 0 DDABMO Cn1cnc2c1C[C@@H](CNc1ncccn1)[N@@H+](CC1CCC1)C2 ZINC000585094543 354803706 /nfs/dbraw/zinc/80/37/06/354803706.db2.gz APLIZZIMPMNUDI-AWEZNQCLSA-N 1 1 312.421 1.849 40 0 DDABMO COc1ccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)c(F)c1 ZINC000585104721 354808085 /nfs/dbraw/zinc/80/80/85/354808085.db2.gz RZSLFSLRVCPHKH-QGZVFWFLSA-N 1 1 322.380 1.515 40 0 DDABMO COc1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(C)C3)C2)c(F)c1 ZINC000585104721 354808087 /nfs/dbraw/zinc/80/80/87/354808087.db2.gz RZSLFSLRVCPHKH-QGZVFWFLSA-N 1 1 322.380 1.515 40 0 DDABMO C[NH+](C)Cc1[nH]nc2c1CCN(C(=O)c1ccnc(F)c1)C2 ZINC000585110541 354809649 /nfs/dbraw/zinc/80/96/49/354809649.db2.gz ONDXSCHJXRZGMN-UHFFFAOYSA-N 1 1 303.341 1.204 40 0 DDABMO OC[C@]1(Cc2ccc(F)cc2)C[N@H+](C2CCOCC2)CCO1 ZINC000585269272 354818684 /nfs/dbraw/zinc/81/86/84/354818684.db2.gz NXBWFNGPRAPISE-KRWDZBQOSA-N 1 1 309.381 1.611 40 0 DDABMO Cn1nccc1C[N@@H+]1CCC[C@](O)(COc2cccc(F)c2)C1 ZINC000585269320 354818698 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CC[N@@H+]1CCNC(=O)C12CCN(C(=O)Cc1ccsc1)CC2 ZINC000096230162 407253728 /nfs/dbraw/zinc/25/37/28/407253728.db2.gz BSWHQVSINAKMQO-UHFFFAOYSA-N 1 1 321.446 1.104 40 0 DDABMO CC[N@H+]1CCNC(=O)C12CCN(C(=O)Cc1ccsc1)CC2 ZINC000096230162 407253729 /nfs/dbraw/zinc/25/37/29/407253729.db2.gz BSWHQVSINAKMQO-UHFFFAOYSA-N 1 1 321.446 1.104 40 0 DDABMO Cc1ccc(C[N@H+]2C[C@H]3OCC(=O)N(CC4CC4)[C@@H]3C2)s1 ZINC000096246338 407256183 /nfs/dbraw/zinc/25/61/83/407256183.db2.gz JIOVEBMCMNENRA-HUUCEWRRSA-N 1 1 306.431 1.878 40 0 DDABMO c1cnn(Cc2nnc3n2CCC[N@H+](CC2CCOCC2)C3)c1 ZINC000096259658 407257287 /nfs/dbraw/zinc/25/72/87/407257287.db2.gz PXKBHZXVNUCIAF-UHFFFAOYSA-N 1 1 316.409 1.155 40 0 DDABMO c1cncc(CO[C@H]2C[C@@H]3CN(Cc4ccncc4)CC[N@H+]3C2)c1 ZINC000096055040 407229240 /nfs/dbraw/zinc/22/92/40/407229240.db2.gz PZASUWAVVOYLQC-MOPGFXCFSA-N 1 1 324.428 1.952 40 0 DDABMO COc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3S(C)(=O)=O)cc1 ZINC000096055810 407229278 /nfs/dbraw/zinc/22/92/78/407229278.db2.gz 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O=C(c1ccncc1)N1CCC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000096202457 407249252 /nfs/dbraw/zinc/24/92/52/407249252.db2.gz RIMFOURHIDOFPB-UHFFFAOYSA-N 1 1 308.385 1.825 40 0 DDABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(S(C)(=O)=O)C3)o1 ZINC000096215477 407250699 /nfs/dbraw/zinc/25/06/99/407250699.db2.gz SUZHTKYZALBZSM-HNNXBMFYSA-N 1 1 312.435 1.836 40 0 DDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccccc1)CC[C@H]2OC ZINC000096209436 407250706 /nfs/dbraw/zinc/25/07/06/407250706.db2.gz YVKMPGBKBWXRHW-GVDBMIGSSA-N 1 1 302.418 1.797 40 0 DDABMO CCC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000067068613 407266826 /nfs/dbraw/zinc/26/68/26/407266826.db2.gz SPRIPKAUEXSERO-UHFFFAOYSA-N 1 1 305.378 1.431 40 0 DDABMO CCS(=O)(=O)[C@@H](CO)[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000096525262 407274412 /nfs/dbraw/zinc/27/44/12/407274412.db2.gz LKOUWGFEAMZWMM-WDEREUQCSA-N 1 1 312.218 1.789 40 0 DDABMO c1cc(C[N@@H+]2C[C@@H](N3CCOCC3)[C@H]3OCCC[C@H]3C2)co1 ZINC000097953445 407303970 /nfs/dbraw/zinc/30/39/70/407303970.db2.gz 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314.389 1.414 40 0 DDABMO CNC(=O)[C@]1(C)C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000072379872 191142356 /nfs/dbraw/zinc/14/23/56/191142356.db2.gz BBQMLOZCNVCCNZ-KRWDZBQOSA-N 1 1 314.389 1.414 40 0 DDABMO COCC(=O)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2C)n1 ZINC000072378469 191141843 /nfs/dbraw/zinc/14/18/43/191141843.db2.gz FCXFQFDAPSTPFH-CQSZACIVSA-N 1 1 300.362 1.886 40 0 DDABMO C[N@H+]1CCC[C@@H](C(=O)NCc2cccc(N3CCCC3=O)c2)C1 ZINC000072954759 191257532 /nfs/dbraw/zinc/25/75/32/191257532.db2.gz GRPCURYBYVCKSV-OAHLLOKOSA-N 1 1 315.417 1.771 40 0 DDABMO O=C([C@@H]1CCCS1)N1CC2(C1)C[C@H](CO)C[N@H+]2CC1CC1 ZINC000585093712 354803539 /nfs/dbraw/zinc/80/35/39/354803539.db2.gz AAUBQWHHLFRLLV-KBPBESRZSA-N 1 1 310.463 1.187 40 0 DDABMO CC(C)[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2cccnc2)C1 ZINC000585111734 354810346 /nfs/dbraw/zinc/81/03/46/354810346.db2.gz ABUDHTBBTGGRSO-HNNXBMFYSA-N 1 1 313.405 1.863 40 0 DDABMO CC(C)[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2cccnc2)C1 ZINC000585111734 354810348 /nfs/dbraw/zinc/81/03/48/354810348.db2.gz ABUDHTBBTGGRSO-HNNXBMFYSA-N 1 1 313.405 1.863 40 0 DDABMO CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2CC1(O)CCOCC1 ZINC000585262847 354817807 /nfs/dbraw/zinc/81/78/07/354817807.db2.gz LWIJCKUFPFDOFL-IRXDYDNUSA-N 1 1 324.465 1.783 40 0 DDABMO CC(C)c1[nH+]ccn1CC(=O)N1CC[C@]2(CCCO2)C(=O)C1 ZINC000585288668 354825319 /nfs/dbraw/zinc/82/53/19/354825319.db2.gz HCFWKNLXBYIDPE-MRXNPFEDSA-N 1 1 305.378 1.357 40 0 DDABMO Cc1nn(C)c(C)c1C[N@H+]1C[C@H](c2ccccc2)[C@@H](O)[C@H]1CO ZINC000585292477 354826695 /nfs/dbraw/zinc/82/66/95/354826695.db2.gz JJBOVDYNSYXKKG-KZNAEPCWSA-N 1 1 315.417 1.358 40 0 DDABMO COc1cccc(OC)c1C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257282738 203009968 /nfs/dbraw/zinc/00/99/68/203009968.db2.gz OVCCQZXLFYFDFS-IRXDYDNUSA-N 1 1 307.390 1.820 40 0 DDABMO COc1cccc(OC)c1C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257282738 203009971 /nfs/dbraw/zinc/00/99/71/203009971.db2.gz OVCCQZXLFYFDFS-IRXDYDNUSA-N 1 1 307.390 1.820 40 0 DDABMO Cn1ccnc1C[NH+]1CCC(c2cc(=O)n3nccc3[nH]2)CC1 ZINC000257311990 203036326 /nfs/dbraw/zinc/03/63/26/203036326.db2.gz ULXYHBUAZGTPEA-UHFFFAOYSA-N 1 1 312.377 1.548 40 0 DDABMO O=C(CC[NH+]1CCOCC1)N1CCC[C@H]1CCc1ccncc1 ZINC000257320480 203046155 /nfs/dbraw/zinc/04/61/55/203046155.db2.gz VXADAEZBSLLKJT-KRWDZBQOSA-N 1 1 317.433 1.728 40 0 DDABMO CC(=O)N1CC2(C[C@]1(C)CO)CC[NH+](Cc1nccn1C)CC2 ZINC000257324465 203049289 /nfs/dbraw/zinc/04/92/89/203049289.db2.gz WOUDQVTWVFDDKX-MRXNPFEDSA-N 1 1 320.437 1.006 40 0 DDABMO O=C(NCC[C@@H]1CCCO1)N1C[C@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000110618284 194342312 /nfs/dbraw/zinc/34/23/12/194342312.db2.gz VSIHOIRCGNTOAP-QKPAOTATSA-N 1 1 307.438 1.681 40 0 DDABMO COc1cccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc3c(c2)OCO3)c1 ZINC000072227570 257122369 /nfs/dbraw/zinc/12/23/69/257122369.db2.gz HZRSHQWNSKDWBC-JKSUJKDBSA-N 1 1 312.325 1.839 40 0 DDABMO CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)N1CC[NH+](C)CC1 ZINC000030882674 257215109 /nfs/dbraw/zinc/21/51/09/257215109.db2.gz WBVXBTUHEBQEAN-ULQDDVLXSA-N 1 1 308.466 1.997 40 0 biogenic,in-vitro DDABMO CN1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000000203746 406631237 /nfs/dbraw/zinc/63/12/37/406631237.db2.gz WMCRUOUJDVCHSC-QGZVFWFLSA-N 1 1 301.434 1.673 40 0 DDABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1ccc(F)c(F)c1 ZINC000013957700 406868991 /nfs/dbraw/zinc/86/89/91/406868991.db2.gz AZYMQIRGHTVSOW-MELADBBJSA-N 1 1 323.343 1.693 40 0 DDABMO C[NH+](C)CC(=O)Nc1ccc(I)cc1 ZINC000014152885 406871583 /nfs/dbraw/zinc/87/15/83/406871583.db2.gz XNLNHRXHEJJPOP-UHFFFAOYSA-N 1 1 304.131 1.791 40 0 DDABMO CC[NH+]1CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000036633908 406981936 /nfs/dbraw/zinc/98/19/36/406981936.db2.gz SZZYTCBCWARBBI-CQSZACIVSA-N 1 1 305.353 1.095 40 0 DDABMO CC(=O)N1CC[C@]2(C1)C[N@@H+](C)C[C@H]2COCc1ccccn1 ZINC000096218074 407251569 /nfs/dbraw/zinc/25/15/69/407251569.db2.gz FJRWKHUXRVNXKA-DOTOQJQBSA-N 1 1 303.406 1.398 40 0 DDABMO c1coc(C[N@H+]2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)c1 ZINC000096219333 407251650 /nfs/dbraw/zinc/25/16/50/407251650.db2.gz KCZHCPKWLLGUEJ-BBRMVZONSA-N 1 1 300.362 1.915 40 0 DDABMO c1cncc(CN2CCO[C@@H]3C[N@@H+](Cc4ccncc4)C[C@@H]3C2)c1 ZINC000096218245 407251690 /nfs/dbraw/zinc/25/16/90/407251690.db2.gz MICHCAPLDKJRIV-RBUKOAKNSA-N 1 1 324.428 1.809 40 0 DDABMO c1cncc(C[N@@H+]2CCO[C@@H]3CN(Cc4ccncc4)C[C@@H]3C2)c1 ZINC000096218245 407251692 /nfs/dbraw/zinc/25/16/92/407251692.db2.gz MICHCAPLDKJRIV-RBUKOAKNSA-N 1 1 324.428 1.809 40 0 DDABMO c1cncc(C[N@H+]2CCO[C@@H]3CN(Cc4ccncc4)C[C@@H]3C2)c1 ZINC000096218245 407251694 /nfs/dbraw/zinc/25/16/94/407251694.db2.gz MICHCAPLDKJRIV-RBUKOAKNSA-N 1 1 324.428 1.809 40 0 DDABMO O=C([C@@H]1CCCO1)N1CCC[C@@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228799 407253597 /nfs/dbraw/zinc/25/35/97/407253597.db2.gz YKISACPCJDJMTE-FUHWJXTLSA-N 1 1 322.449 1.516 40 0 DDABMO CCO[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccs3)CC[N@@H+]2C1 ZINC000096249531 407256200 /nfs/dbraw/zinc/25/62/00/407256200.db2.gz UAUUYPXIMWSIGY-NWDGAFQWSA-N 1 1 316.448 1.232 40 0 DDABMO CCO[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccs3)CC[N@H+]2C1 ZINC000096249531 407256202 /nfs/dbraw/zinc/25/62/02/407256202.db2.gz UAUUYPXIMWSIGY-NWDGAFQWSA-N 1 1 316.448 1.232 40 0 DDABMO CC(C)C(=O)N1CC[N@@H+](CC2CC2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096036076 407224330 /nfs/dbraw/zinc/22/43/30/407224330.db2.gz FTLAKKHKIOSTCO-QGZVFWFLSA-N 1 1 307.438 1.045 40 0 DDABMO O=C(NCC1CC1)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096042891 407226158 /nfs/dbraw/zinc/22/61/58/407226158.db2.gz LQZOVOJCWYPJMA-HRCADAONSA-N 1 1 304.390 1.785 40 0 DDABMO O=C(NCC1CC1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096042891 407226161 /nfs/dbraw/zinc/22/61/61/407226161.db2.gz LQZOVOJCWYPJMA-HRCADAONSA-N 1 1 304.390 1.785 40 0 DDABMO O=C(Nc1cccnc1)[C@H]1C[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2O1 ZINC000096042837 407226607 /nfs/dbraw/zinc/22/66/07/407226607.db2.gz IRFDCPAXGRCDBV-NUEKZKHPSA-N 1 1 301.390 1.910 40 0 DDABMO CC[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1 ZINC000096049606 407226981 /nfs/dbraw/zinc/22/69/81/407226981.db2.gz VWYPOARAKHEICS-INIZCTEOSA-N 1 1 304.394 1.051 40 0 DDABMO COCC(=O)N1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC000096048030 407227597 /nfs/dbraw/zinc/22/75/97/407227597.db2.gz CBWMLSLTEHBNCD-CQSZACIVSA-N 1 1 322.405 1.508 40 0 DDABMO CC(C)[N@@H+](C)C[C@@H]1CO[C@]2(C1)COCCN(C(=O)N(C)C)C2 ZINC000096052006 407228150 /nfs/dbraw/zinc/22/81/50/407228150.db2.gz ZYDAGCDZXMQYRA-ZBFHGGJFSA-N 1 1 313.442 1.116 40 0 DDABMO C[NH+](C)C[C@@H]1CO[C@]2(C1)COCCN(Cc1cccs1)C2 ZINC000096051920 407228191 /nfs/dbraw/zinc/22/81/91/407228191.db2.gz AITYZCRPJUQZFC-ZBFHGGJFSA-N 1 1 310.463 1.917 40 0 DDABMO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096053940 407229762 /nfs/dbraw/zinc/22/97/62/407229762.db2.gz LXZGKSGNLGWZAP-BETUJISGSA-N 1 1 314.414 1.742 40 0 DDABMO c1cncc(C[N@H+]2CCc3ncnc([C@H]4CCOC4)c3CC2)c1 ZINC000096058652 407230526 /nfs/dbraw/zinc/23/05/26/407230526.db2.gz FWBSPPUAGIVMEG-HNNXBMFYSA-N 1 1 310.401 1.976 40 0 DDABMO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]21 ZINC000096058281 407230839 /nfs/dbraw/zinc/23/08/39/407230839.db2.gz UZCOHUUHUOWVLK-OWCLPIDISA-N 1 1 304.390 1.785 40 0 DDABMO CNC(=O)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000096057648 407230970 /nfs/dbraw/zinc/23/09/70/407230970.db2.gz XRMKBIJWVVWZLQ-NUEKZKHPSA-N 1 1 304.390 1.421 40 0 DDABMO CN(C)C(=O)COC[C@@]12CCCO[C@H]1CC[N@@H+](CC1CC1)C2 ZINC000096056973 407231037 /nfs/dbraw/zinc/23/10/37/407231037.db2.gz JPRPYOFWGHDTEQ-RDJZCZTQSA-N 1 1 310.438 1.372 40 0 DDABMO C[NH+](C)CCO[C@H]1CN(Cc2cccnc2)[C@@H]2CCCO[C@@H]21 ZINC000096057456 407231074 /nfs/dbraw/zinc/23/10/74/407231074.db2.gz IGQZFOLUTYTEPY-IKGGRYGDSA-N 1 1 305.422 1.392 40 0 DDABMO O=C(c1cnccn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2CC1CCOCC1 ZINC000096063950 407233350 /nfs/dbraw/zinc/23/33/50/407233350.db2.gz CENVDEBVWZFTER-CVEARBPZSA-N 1 1 316.405 1.192 40 0 DDABMO COCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2C1 ZINC000096080913 407234907 /nfs/dbraw/zinc/23/49/07/407234907.db2.gz BCXYHFVAFWHJJA-GASCZTMLSA-N 1 1 306.381 1.752 40 0 DDABMO Cc1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(CN2CCOCC2)C1 ZINC000096108279 407237479 /nfs/dbraw/zinc/23/74/79/407237479.db2.gz XCVWXEDXZYCGKS-MOPGFXCFSA-N 1 1 316.445 1.776 40 0 DDABMO COCC(=O)NC[C@]12COC[C@H]1C[N@@H+](Cc1cccc(F)c1)C2 ZINC000096108403 407237554 /nfs/dbraw/zinc/23/75/54/407237554.db2.gz VDULUTUROSWOOZ-PBHICJAKSA-N 1 1 322.380 1.037 40 0 DDABMO COCC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccco1)CC[C@H]2OC ZINC000096108550 407237629 /nfs/dbraw/zinc/23/76/29/407237629.db2.gz QZFKJZPGTMLBBX-ARFHVFGLSA-N 1 1 322.405 1.016 40 0 DDABMO CNC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C)CC1 ZINC000096112951 407238369 /nfs/dbraw/zinc/23/83/69/407238369.db2.gz WRZSGSUOXHQPQX-JKSUJKDBSA-N 1 1 323.481 1.870 40 0 biogenic,in-vitro DDABMO COc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2nccs2)ncn1 ZINC000096184776 407244930 /nfs/dbraw/zinc/24/49/30/407244930.db2.gz MAHXIPFRXMWWPH-NEPJUHHUSA-N 1 1 317.418 1.795 40 0 DDABMO COc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2nccs2)ncn1 ZINC000096184776 407244932 /nfs/dbraw/zinc/24/49/32/407244932.db2.gz MAHXIPFRXMWWPH-NEPJUHHUSA-N 1 1 317.418 1.795 40 0 DDABMO Fc1cnc(N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1 ZINC000096196946 407247767 /nfs/dbraw/zinc/24/77/67/407247767.db2.gz ITOUSKSGOJHUKP-UHFFFAOYSA-N 1 1 313.340 1.120 40 0 DDABMO c1csc(C[N@@H+]2C[C@@H]3COC[C@]3(c3nnc(C4CC4)o3)C2)n1 ZINC000096208965 407250643 /nfs/dbraw/zinc/25/06/43/407250643.db2.gz IKDVHWDCNHGGTK-IAQYHMDHSA-N 1 1 318.402 1.804 40 0 DDABMO c1csc(C[N@H+]2C[C@@H]3COC[C@]3(c3nnc(C4CC4)o3)C2)n1 ZINC000096208965 407250644 /nfs/dbraw/zinc/25/06/44/407250644.db2.gz IKDVHWDCNHGGTK-IAQYHMDHSA-N 1 1 318.402 1.804 40 0 DDABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@H]2C1 ZINC000097953829 407303877 /nfs/dbraw/zinc/30/38/77/407303877.db2.gz BTNRUKKABYUNBT-CFVMTHIKSA-N 1 1 307.394 1.359 40 0 DDABMO Cc1noc(C)c1C[N@@H+]1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@H]2C1 ZINC000097953829 407303880 /nfs/dbraw/zinc/30/38/80/407303880.db2.gz BTNRUKKABYUNBT-CFVMTHIKSA-N 1 1 307.394 1.359 40 0 DDABMO O=C(N[C@@H]1C[N@H+](C2CCC2)C[C@@H]2CCCO[C@H]12)c1ccncc1 ZINC000097953488 407303900 /nfs/dbraw/zinc/30/39/00/407303900.db2.gz IBTOSPYDMWLZQF-UAGQMJEPSA-N 1 1 315.417 1.843 40 0 DDABMO O=C(c1ccno1)N1CC[C@H]2[C@@H]1CC[N@H+]2CC1CCOCC1 ZINC000107199409 407370557 /nfs/dbraw/zinc/37/05/57/407370557.db2.gz KYDBRHKQCJZROU-KBPBESRZSA-N 1 1 305.378 1.390 40 0 DDABMO COCCN1CC[C@@]2(CCC[N@@H+](Cc3ccncc3)CC2)C1=O ZINC000108526344 407387060 /nfs/dbraw/zinc/38/70/60/407387060.db2.gz WEQSTJDDPWETNU-SFHVURJKSA-N 1 1 317.433 1.933 40 0 DDABMO O=C1CCCC[C@]2(C[N@@H+](CCO)C[C@H]2c2ccccc2F)N1 ZINC000257217760 407499222 /nfs/dbraw/zinc/49/92/22/407499222.db2.gz DAMJFMRITLVTEL-WMLDXEAASA-N 1 1 306.381 1.646 40 0 DDABMO CN1C(=O)CO[C@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C[C@@H]21 ZINC000257231048 407507249 /nfs/dbraw/zinc/50/72/49/407507249.db2.gz GEZIKVOLFKHBBS-RDJZCZTQSA-N 1 1 314.385 1.394 40 0 DDABMO CCC(=O)N1CC[C@H](O)[C@@H]([N@H+]2CCc3ccccc3C2)CC1 ZINC000257240342 407514245 /nfs/dbraw/zinc/51/42/45/407514245.db2.gz HTBMQRQFIRSOAI-IRXDYDNUSA-N 1 1 302.418 1.807 40 0 DDABMO CNC(=O)c1cccc([C@H]2C[N@H+](C3CCOCC3)CCN2C)c1 ZINC000257283994 407530740 /nfs/dbraw/zinc/53/07/40/407530740.db2.gz PAUNUGMRPPKGNF-QGZVFWFLSA-N 1 1 317.433 1.514 40 0 DDABMO COCCN1C(=O)CCC[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@H]21 ZINC000257268866 407531105 /nfs/dbraw/zinc/53/11/05/407531105.db2.gz MNOPOOCUPHIMKK-JKSUJKDBSA-N 1 1 320.437 1.270 40 0 DDABMO O=C(NCCC[NH+]1CCOCC1)c1ccc2[nH]c(Cl)nc2c1 ZINC000225975508 407611725 /nfs/dbraw/zinc/61/17/25/407611725.db2.gz WNWBVJGXHQUAMH-UHFFFAOYSA-N 1 1 322.796 1.668 40 0 DDABMO COc1ccc2c(c1)CCN(c1cc[nH+]c(N[C@@H](C)CO)n1)C2 ZINC000328984917 410038045 /nfs/dbraw/zinc/03/80/45/410038045.db2.gz HQPQWMBLDUFKQL-LBPRGKRZSA-N 1 1 314.389 1.841 40 0 DDABMO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH+]3CCCC3)C2=O)cc1 ZINC000019972534 277077341 /nfs/dbraw/zinc/07/73/41/277077341.db2.gz XJDSAXMMSNCKBZ-CQSZACIVSA-N 1 1 301.346 1.373 40 0 DDABMO COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000082314648 185175572 /nfs/dbraw/zinc/17/55/72/185175572.db2.gz SZTWOZPUTNDQBK-OAHLLOKOSA-N 1 1 317.433 1.686 40 0 DDABMO COCC[C@H]1Cn2cccc2C[N@H+](CC(=O)N2CCCC2)C1 ZINC000585095578 354803853 /nfs/dbraw/zinc/80/38/53/354803853.db2.gz YWWDJTDHXOORAD-OAHLLOKOSA-N 1 1 305.422 1.579 40 0 DDABMO COCC[C@H]1Cn2cccc2C[N@@H+](CC(=O)N2CCCC2)C1 ZINC000585095578 354803857 /nfs/dbraw/zinc/80/38/57/354803857.db2.gz YWWDJTDHXOORAD-OAHLLOKOSA-N 1 1 305.422 1.579 40 0 DDABMO Cc1cc(C(=O)N2CCC[C@]3(CC[N@H+]3C[C@@H]3CCCO3)C2)no1 ZINC000585101955 354806472 /nfs/dbraw/zinc/80/64/72/354806472.db2.gz NESDCJOAADSVKG-YOEHRIQHSA-N 1 1 319.405 1.843 40 0 DDABMO CCCC[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3cncs3)C2)C1 ZINC000585103505 354807425 /nfs/dbraw/zinc/80/74/25/354807425.db2.gz DDTIELYSJPHGNE-INIZCTEOSA-N 1 1 323.462 1.994 40 0 DDABMO CS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccccc3)C2)OC1 ZINC000585105510 354808168 /nfs/dbraw/zinc/80/81/68/354808168.db2.gz YPGYZYCJLSXRRS-HNNXBMFYSA-N 1 1 324.446 1.217 40 0 DDABMO Cn1cnc(C[N@@H+]2CCC[C@@](O)(COc3ccc(F)cc3)C2)c1 ZINC000585269000 354818464 /nfs/dbraw/zinc/81/84/64/354818464.db2.gz HBCNZEWOJSEEPX-KRWDZBQOSA-N 1 1 319.380 1.965 40 0 DDABMO Cn1cnc(C[N@H+]2CCC[C@@](O)(COc3ccc(F)cc3)C2)c1 ZINC000585269000 354818468 /nfs/dbraw/zinc/81/84/68/354818468.db2.gz HBCNZEWOJSEEPX-KRWDZBQOSA-N 1 1 319.380 1.965 40 0 DDABMO COc1cccc(NC(=O)C[C@H]2[NH2+][C@@H]3CCCC[C@@H]3NC2=O)c1 ZINC000005911374 181295801 /nfs/dbraw/zinc/29/58/01/181295801.db2.gz NYCPQLLMXVMECC-QLFBSQMISA-N 1 1 317.389 1.423 40 0 DDABMO CC(C)N1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381301 359744001 /nfs/dbraw/zinc/74/40/01/359744001.db2.gz GWXXVICDXUYBGX-GOSISDBHSA-N 1 1 315.461 1.666 40 0 biogenic,in-vitro DDABMO 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302.422 1.111 40 0 DDABMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC(=O)N(C)C)o1 ZINC000096056537 407230980 /nfs/dbraw/zinc/23/09/80/407230980.db2.gz PYVCNJHKWOJWET-HUUCEWRRSA-N 1 1 319.405 1.242 40 0 DDABMO Cc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)NC2CC2)n1 ZINC000096184772 407244427 /nfs/dbraw/zinc/24/44/27/407244427.db2.gz SXGIPQLTYGGMLT-HOTGVXAUSA-N 1 1 300.406 1.911 40 0 DDABMO CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)cc1 ZINC000096184383 407244717 /nfs/dbraw/zinc/24/47/17/407244717.db2.gz QESRUIFEKMCXRF-CVEARBPZSA-N 1 1 305.397 1.563 40 0 DDABMO CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(F)cc1 ZINC000096184383 407244718 /nfs/dbraw/zinc/24/47/18/407244718.db2.gz QESRUIFEKMCXRF-CVEARBPZSA-N 1 1 305.397 1.563 40 0 DDABMO CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)cc1 ZINC000096184383 407244719 /nfs/dbraw/zinc/24/47/19/407244719.db2.gz QESRUIFEKMCXRF-CVEARBPZSA-N 1 1 305.397 1.563 40 0 DDABMO CN(C)C(=O)N[C@H]1C[N@H+](Cc2cccc(F)c2)[C@@H]2CCCO[C@@H]21 ZINC000096186847 407245662 /nfs/dbraw/zinc/24/56/62/407245662.db2.gz ALNXTSOXVZQAQH-ARFHVFGLSA-N 1 1 321.396 1.829 40 0 DDABMO CN(C)C(=O)N[C@H]1C[N@@H+](Cc2cccc(F)c2)[C@@H]2CCCO[C@@H]21 ZINC000096186847 407245664 /nfs/dbraw/zinc/24/56/64/407245664.db2.gz ALNXTSOXVZQAQH-ARFHVFGLSA-N 1 1 321.396 1.829 40 0 DDABMO CCS(=O)(=O)N[C@@H]1CCO[C@]2(CC[N@H+](C3CCC3)C2)C1 ZINC000096208694 407250671 /nfs/dbraw/zinc/25/06/71/407250671.db2.gz WGBTXRGILPSHCO-TZMCWYRMSA-N 1 1 302.440 1.102 40 0 DDABMO C[NH+](C)Cc1cc(CC2(NCc3ccncc3)COC2)no1 ZINC000067897813 407289379 /nfs/dbraw/zinc/28/93/79/407289379.db2.gz KKXBMXMUEAUTQJ-UHFFFAOYSA-N 1 1 302.378 1.233 40 0 biogenic,in-vitro DDABMO O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCOC2)[C@@H]2COC[C@H]12)c1ccsc1 ZINC000107201407 407370609 /nfs/dbraw/zinc/37/06/09/407370609.db2.gz HLKCHJORFLCWNJ-ZGKBOVNRSA-N 1 1 322.430 1.214 40 0 DDABMO CC(C)N(C)Cc1cnc2n1CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000107212024 407371033 /nfs/dbraw/zinc/37/10/33/407371033.db2.gz CAWKZGDTBQZWFY-OAHLLOKOSA-N 1 1 306.454 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CCC[N@H+]1CCO[C@@]2(C1)COCCN(C(=O)C1(F)CCC1)C2 ZINC000585101544 354806907 /nfs/dbraw/zinc/80/69/07/354806907.db2.gz FDADAFNVQLNLSE-OAHLLOKOSA-N 1 1 314.401 1.218 40 0 DDABMO Cc1nc(C[NH+]2C[C@@H]3CN(C(=O)C4CC(O)C4)C[C@H]3C2)cs1 ZINC000585107590 354807997 /nfs/dbraw/zinc/80/79/97/354807997.db2.gz JTTQVVHXTYCPEW-DNCHLWJUSA-N 1 1 321.446 1.113 40 0 DDABMO COc1ccc(C[N@H+]2CCC[C@](O)(CCC(N)=O)C2)c(F)c1 ZINC000585277570 354821328 /nfs/dbraw/zinc/82/13/28/354821328.db2.gz IXIMAWVUBPJFNA-INIZCTEOSA-N 1 1 310.369 1.427 40 0 DDABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2ccc(-n3cccn3)cc2)[C@@H]1O ZINC000585291602 354826572 /nfs/dbraw/zinc/82/65/72/354826572.db2.gz QPVLMOMXWDYQMN-ZACQAIPSSA-N 1 1 317.389 1.079 40 0 DDABMO COCCN1C[C@H]2C[N@@H+](Cc3ccccc3C)CCN2C1=O ZINC000077266953 191682348 /nfs/dbraw/zinc/68/23/48/191682348.db2.gz NATPLLBGDBAKIS-MRXNPFEDSA-N 1 1 303.406 1.563 40 0 biogenic,in-vitro DDABMO CC(=O)N1[C@H]2CC[N@@H+](Cc3cccnc3)C[C@@H]2C[C@]1(C)CO ZINC000257307770 203032655 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OCCN1CCN(C2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000019939793 182168203 /nfs/dbraw/zinc/16/82/03/182168203.db2.gz ZREXZLAKFOBULG-FGTMMUONSA-N 1 1 319.493 1.273 40 0 DDABMO CCN1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514289136 257216503 /nfs/dbraw/zinc/21/65/03/257216503.db2.gz IHKULDNGWBVDKQ-IAGOWNOFSA-N 1 1 301.434 1.012 40 0 biogenic,in-vitro DDABMO CCN1CC2(C1)CN(Cc1ccccc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514289136 257216505 /nfs/dbraw/zinc/21/65/05/257216505.db2.gz IHKULDNGWBVDKQ-IAGOWNOFSA-N 1 1 301.434 1.012 40 0 biogenic,in-vitro DDABMO CCN1CC2(C1)CN(Cc1ccccc1)C[C@H]1C[C@@H](O)C[N@@H+]12 ZINC000514289136 257216506 /nfs/dbraw/zinc/21/65/06/257216506.db2.gz IHKULDNGWBVDKQ-IAGOWNOFSA-N 1 1 301.434 1.012 40 0 biogenic,in-vitro DDABMO CCCNC(=O)[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035876807 406974684 /nfs/dbraw/zinc/97/46/84/406974684.db2.gz NWTNVBCPHMMOQF-JKSUJKDBSA-N 1 1 315.417 1.218 40 0 DDABMO COc1cccc(O[C@H](C)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000030867829 406935508 /nfs/dbraw/zinc/93/55/08/406935508.db2.gz WMCNBCRZMVCSTE-CQSZACIVSA-N 1 1 322.405 1.301 40 0 DDABMO O=C(NCC1CC1)[C@]12COC[C@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000096217745 407252331 /nfs/dbraw/zinc/25/23/31/407252331.db2.gz IYNSMUPMHWMZIQ-NVXWUHKLSA-N 1 1 301.390 1.056 40 0 DDABMO CC(C)C[N@H+]1CC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 ZINC000096226043 407252707 /nfs/dbraw/zinc/25/27/07/407252707.db2.gz JCUWPFFKYNDFSA-MRXNPFEDSA-N 1 1 302.378 1.897 40 0 DDABMO CNC(=O)C[C@H]1C[C@H]2C[N@@H+](Cc3ccccc3OC)C[C@H]2O1 ZINC000096220302 407253103 /nfs/dbraw/zinc/25/31/03/407253103.db2.gz DQQJXOOVYPLPTE-SQWLQELKSA-N 1 1 304.390 1.421 40 0 DDABMO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(C(=O)NC4CCC4)=NO3)C2)o1 ZINC000096225555 407253281 /nfs/dbraw/zinc/25/32/81/407253281.db2.gz IDGKTGGGJDJAIM-QGZVFWFLSA-N 1 1 317.389 1.978 40 0 DDABMO Cc1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)NC4CCC4)=NO3)C2)o1 ZINC000096225555 407253283 /nfs/dbraw/zinc/25/32/83/407253283.db2.gz IDGKTGGGJDJAIM-QGZVFWFLSA-N 1 1 317.389 1.978 40 0 DDABMO COC[C@H]1CNC(=O)[C@@H]2CC[N@@H+](Cc3cccs3)CC[C@H]12 ZINC000096041101 407225020 /nfs/dbraw/zinc/22/50/20/407225020.db2.gz FMRAWIYUZRRVRR-BPLDGKMQSA-N 1 1 308.447 1.969 40 0 DDABMO O=C(c1cnccn1)N1CC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096054158 407229390 /nfs/dbraw/zinc/22/93/90/407229390.db2.gz HXMWKSDZMCZRLF-HUUCEWRRSA-N 1 1 323.400 1.466 40 0 DDABMO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cccs3)C[C@H]2[N@@H+]1C(C)C ZINC000096054240 407230030 /nfs/dbraw/zinc/23/00/30/407230030.db2.gz OHIOUHAURKMEEL-RWMBFGLXSA-N 1 1 321.446 1.417 40 0 DDABMO CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3cccs3)C[C@H]2[N@H+]1C(C)C ZINC000096054240 407230031 /nfs/dbraw/zinc/23/00/31/407230031.db2.gz OHIOUHAURKMEEL-RWMBFGLXSA-N 1 1 321.446 1.417 40 0 DDABMO C[NH+](C)CCO[C@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@@H]21 ZINC000096057455 407231027 /nfs/dbraw/zinc/23/10/27/407231027.db2.gz IOAMHYMTHPRNIO-IKGGRYGDSA-N 1 1 305.422 1.392 40 0 DDABMO COCC[N@H+]1CC[C@]2(C1)COCCN(Cc1ccccn1)C2 ZINC000096062312 407232585 /nfs/dbraw/zinc/23/25/85/407232585.db2.gz IERNRLRHNPCFLV-QGZVFWFLSA-N 1 1 305.422 1.252 40 0 DDABMO CN(C)C(=O)CN1CC[C@@]2(CCC[N@@H+](Cc3ccoc3)C2)C1=O ZINC000096073983 407234932 /nfs/dbraw/zinc/23/49/32/407234932.db2.gz ODMRXLKGTFIARM-QGZVFWFLSA-N 1 1 319.405 1.182 40 0 DDABMO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3)C[C@@H]2C1 ZINC000096107949 407238104 /nfs/dbraw/zinc/23/81/04/407238104.db2.gz IKSKPZNWYZPSAJ-SMDDNHRTSA-N 1 1 312.772 1.882 40 0 DDABMO c1ccc(CN2CC[N@H+]3C[C@H](Oc4cccnc4)C[C@H]3C2)nc1 ZINC000096183333 407243801 /nfs/dbraw/zinc/24/38/01/407243801.db2.gz PFHMFFQZPSSWMO-FUHWJXTLSA-N 1 1 310.401 1.814 40 0 DDABMO COCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccoc3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185169 407244470 /nfs/dbraw/zinc/24/44/70/407244470.db2.gz RGNUUMAMHLPFLC-RDJZCZTQSA-N 1 1 322.405 1.525 40 0 DDABMO COCC[N@H+]1C[C@@H]2C[NH+](Cc3ccoc3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185169 407244472 /nfs/dbraw/zinc/24/44/72/407244472.db2.gz RGNUUMAMHLPFLC-RDJZCZTQSA-N 1 1 322.405 1.525 40 0 DDABMO COCC[NH+]1C[C@@H]2C[N@H+](Cc3ccoc3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185169 407244475 /nfs/dbraw/zinc/24/44/75/407244475.db2.gz RGNUUMAMHLPFLC-RDJZCZTQSA-N 1 1 322.405 1.525 40 0 DDABMO COCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccoc3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185169 407244476 /nfs/dbraw/zinc/24/44/76/407244476.db2.gz RGNUUMAMHLPFLC-RDJZCZTQSA-N 1 1 322.405 1.525 40 0 DDABMO COc1cccc(CC(=O)N2CCOC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000096201952 407248787 /nfs/dbraw/zinc/24/87/87/407248787.db2.gz XQENNXHRQSYJLX-SFHVURJKSA-N 1 1 318.417 1.418 40 0 DDABMO O=C(C[C@@H]1OC[C@H]2C[N@H+](C3CCC3)CC[C@H]21)N1CCCCO1 ZINC000096206122 407249558 /nfs/dbraw/zinc/24/95/58/407249558.db2.gz FVFJJFBQOZDFGK-BMFZPTHFSA-N 1 1 308.422 1.820 40 0 DDABMO c1cc(C[N@H+]2CC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)co1 ZINC000107728287 407378956 /nfs/dbraw/zinc/37/89/56/407378956.db2.gz PCYJXNLEZDMUNJ-GDBMZVCRSA-N 1 1 300.362 1.915 40 0 DDABMO CCn1cc(C[N@H+]2CC[C@@H](c3n[nH]cc3C(=O)NC)C2)c(C)n1 ZINC000257217501 407499142 /nfs/dbraw/zinc/49/91/42/407499142.db2.gz CZFYTOZBJGOPAK-GFCCVEGCSA-N 1 1 316.409 1.284 40 0 DDABMO CN(c1cccnn1)[C@@H]1CC[C@@H]2C[N@H+](C3CCOCC3)C[C@H]12 ZINC000257216686 407500432 /nfs/dbraw/zinc/50/04/32/407500432.db2.gz CVRJXJWDXPPECA-VNQPRFMTSA-N 1 1 302.422 1.802 40 0 DDABMO CCN(CC)S(=O)(=O)N1CCC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257217707 407501046 /nfs/dbraw/zinc/50/10/46/407501046.db2.gz DAGRYKUUZHNVOF-LBPRGKRZSA-N 1 1 300.428 1.484 40 0 DDABMO CC(C)[N@H+]1CCC[C@@H](Cc2ccc(NCC[S@](C)=O)nn2)C1 ZINC000225459538 407587485 /nfs/dbraw/zinc/58/74/85/407587485.db2.gz JQGWXVDJAOIBFZ-FPTDNZKUSA-N 1 1 324.494 1.930 40 0 DDABMO CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@@]1([NH3+])COC ZINC000218511795 407518712 /nfs/dbraw/zinc/51/87/12/407518712.db2.gz ILLLMTZITQXMCB-XQQFMLRXSA-N 1 1 303.811 1.584 40 0 DDABMO COc1cccc(OC)c1C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257259562 407523084 /nfs/dbraw/zinc/52/30/84/407523084.db2.gz KYXPYWAFPJJFEQ-IRXDYDNUSA-N 1 1 307.390 1.820 40 0 DDABMO O=C(COC[C@H]1CCOC12C[NH+](C1CCC1)C2)N1CCCC1 ZINC000247744148 408507295 /nfs/dbraw/zinc/50/72/95/408507295.db2.gz QCNKTXDALWXZRV-CQSZACIVSA-N 1 1 308.422 1.269 40 0 DDABMO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2CC1CC1)c1cnccn1 ZINC000247467276 408474997 /nfs/dbraw/zinc/47/49/97/408474997.db2.gz DBAWANKCMMSDPU-BPUTZDHNSA-N 1 1 316.405 1.096 40 0 DDABMO C[C@H]1c2nc(CC(=O)NCCc3cccs3)cn2CC[N@@H+]1C ZINC000248132785 408535922 /nfs/dbraw/zinc/53/59/22/408535922.db2.gz NSJLBGPZIWTVKZ-LBPRGKRZSA-N 1 1 318.446 1.852 40 0 DDABMO COCCN1CC[C@@]2(C[N@@H+](C)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306127801 409772370 /nfs/dbraw/zinc/77/23/70/409772370.db2.gz GIBMRDCYRHTDHV-PBHICJAKSA-N 1 1 320.437 1.358 40 0 DDABMO C[C@H]1C[N@H+](Cc2nc(-c3cccnc3Cl)no2)CC[C@H]1O ZINC000245227479 222215053 /nfs/dbraw/zinc/21/50/53/222215053.db2.gz OKMUEJNICCBMHH-GXSJLCMTSA-N 1 1 308.769 1.988 40 0 DDABMO C[C@H]1C[N@@H+](Cc2nc(-c3cccnc3Cl)no2)CC[C@H]1O ZINC000245227479 222215056 /nfs/dbraw/zinc/21/50/56/222215056.db2.gz 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354806800 /nfs/dbraw/zinc/80/68/00/354806800.db2.gz OCLLJGJKVORPCJ-XUJLQICISA-N 1 1 314.401 1.074 40 0 DDABMO Cc1cc(C(=O)N2CCC[C@@]3(CC[N@H+]3C[C@@H]3CCCO3)C2)no1 ZINC000585101954 354807242 /nfs/dbraw/zinc/80/72/42/354807242.db2.gz NESDCJOAADSVKG-WMLDXEAASA-N 1 1 319.405 1.843 40 0 DDABMO COCC[N@H+]1CC[C@@]12CCCN(C(=O)c1csc(C)n1)C2 ZINC000585102038 354807630 /nfs/dbraw/zinc/80/76/30/354807630.db2.gz OLHGKXUQDUBSFJ-OAHLLOKOSA-N 1 1 309.435 1.778 40 0 DDABMO CO[C@@H]1CC[N@@H+](Cc2ccncc2)C[C@H]1CC(=O)N1CCCC1 ZINC000585275101 354819659 /nfs/dbraw/zinc/81/96/59/354819659.db2.gz WQGFGKOGXFWKJC-IAGOWNOFSA-N 1 1 317.433 1.931 40 0 DDABMO COc1cccc(C2(O)CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000004985047 181184544 /nfs/dbraw/zinc/18/45/44/181184544.db2.gz DNATWNPPHNLLLC-UHFFFAOYSA-N 1 1 318.417 1.601 40 0 DDABMO C[N@H+]1C[C@@H]2CN(C(=O)NC3CCCCC3)CCN2C(C)(C)C1 ZINC000253406545 283207942 /nfs/dbraw/zinc/20/79/42/283207942.db2.gz URTHDJAHBYZTHJ-OAHLLOKOSA-N 1 1 308.470 1.739 40 0 biogenic,in-vitro DDABMO Cc1cccc(N2CCC[C@H]([N@@H+](C)CC(=O)N3CCCC3)C2)n1 ZINC000257301908 203025156 /nfs/dbraw/zinc/02/51/56/203025156.db2.gz SALXLKLGRVOECW-INIZCTEOSA-N 1 1 316.449 1.913 40 0 DDABMO CCc1[nH+]ccn1CC(=O)N1CC[C@@H](c2nc(C)cn2C)C1 ZINC000257302404 203028492 /nfs/dbraw/zinc/02/84/92/203028492.db2.gz SCUVFEZVYTUTLD-CYBMUJFWSA-N 1 1 301.394 1.504 40 0 DDABMO O=C1CCCN1c1ccc(C[N@@H+]2C[C@H](O)[C@]3(CCCO3)C2)cc1 ZINC000257285404 203012303 /nfs/dbraw/zinc/01/23/03/203012303.db2.gz PGYHHETVBWRILY-WMZOPIPTSA-N 1 1 316.401 1.539 40 0 DDABMO O=C(C[N@H+]1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1)N1CCCCC1 ZINC000257311487 203037443 /nfs/dbraw/zinc/03/74/43/203037443.db2.gz UJRZWRWOJBXTKV-HZPDHXFCSA-N 1 1 322.380 1.262 40 0 DDABMO O=C(C[N@@H+]1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1)N1CCCCC1 ZINC000257311487 203037446 /nfs/dbraw/zinc/03/74/46/203037446.db2.gz UJRZWRWOJBXTKV-HZPDHXFCSA-N 1 1 322.380 1.262 40 0 DDABMO CN(C)C(=O)[C@@H]1CN(C)CC[N@@H+](CCCc2ccccc2)C1 ZINC000257335311 203059037 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COc1ccc(C[N@H+]2CCO[C@]3(CCCN(C(C)=O)C3)C2)cc1 ZINC000063527615 184285203 /nfs/dbraw/zinc/28/52/03/184285203.db2.gz HRFFRDCRPOPCDA-GOSISDBHSA-N 1 1 318.417 1.909 40 0 DDABMO [NH3+][C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000072228219 257122807 /nfs/dbraw/zinc/12/28/07/257122807.db2.gz VPAYLQXRQXFVFV-HOTGVXAUSA-N 1 1 314.316 1.965 40 0 DDABMO COc1ccc(C[N@@H+]2CCOC[C@H](Oc3cnccn3)C2)cc1 ZINC000077265897 406981744 /nfs/dbraw/zinc/98/17/44/406981744.db2.gz AFSQTPLQPXIRNG-MRXNPFEDSA-N 1 1 315.373 1.765 40 0 biogenic,in-vitro DDABMO COc1ccc(C[N@H+]2CCOC[C@H](Oc3cnccn3)C2)cc1 ZINC000077265897 406981746 /nfs/dbraw/zinc/98/17/46/406981746.db2.gz AFSQTPLQPXIRNG-MRXNPFEDSA-N 1 1 315.373 1.765 40 0 biogenic,in-vitro DDABMO Cn1cc(N2CC[C@@H]3C[N@@H+](CC4CCOCC4)C[C@@H]3C2=O)cn1 ZINC000096249148 407255837 /nfs/dbraw/zinc/25/58/37/407255837.db2.gz GVVYVPGOLVZFNX-ZBFHGGJFSA-N 1 1 318.421 1.131 40 0 DDABMO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1CCCO1)C2 ZINC000096252251 407257237 /nfs/dbraw/zinc/25/72/37/407257237.db2.gz SPGSGAVFVMOTJN-IJEWVQPXSA-N 1 1 319.405 1.503 40 0 DDABMO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1CCCO1)C2 ZINC000096252251 407257239 /nfs/dbraw/zinc/25/72/39/407257239.db2.gz SPGSGAVFVMOTJN-IJEWVQPXSA-N 1 1 319.405 1.503 40 0 DDABMO CS(=O)(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1ccncc1)C2 ZINC000096047430 407227507 /nfs/dbraw/zinc/22/75/07/407227507.db2.gz ICDJBYWOUDDRAL-INIZCTEOSA-N 1 1 323.462 1.862 40 0 DDABMO COCCNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096066269 407233715 /nfs/dbraw/zinc/23/37/15/407233715.db2.gz PLICQZUYANGQLV-ZNMIVQPWSA-N 1 1 308.378 1.022 40 0 DDABMO COCCNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000096066269 407233717 /nfs/dbraw/zinc/23/37/17/407233717.db2.gz PLICQZUYANGQLV-ZNMIVQPWSA-N 1 1 308.378 1.022 40 0 DDABMO c1ccc(CC[N@@H+]2C[C@@H]3[C@H](C2)OCCN3c2cncnc2)cc1 ZINC000096081791 407235871 /nfs/dbraw/zinc/23/58/71/407235871.db2.gz HQCZYVJLOFGOJS-MSOLQXFVSA-N 1 1 310.401 1.609 40 0 DDABMO CN(C)C(=O)NC[C@]12COC[C@H]1C[N@@H+](Cc1ccsc1)C2 ZINC000096108293 407237619 /nfs/dbraw/zinc/23/76/19/407237619.db2.gz QNBNLORJVUIMIS-HIFRSBDPSA-N 1 1 309.435 1.468 40 0 DDABMO Cc1cccc(C[N@H+]2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)n1 ZINC000096108276 407237744 /nfs/dbraw/zinc/23/77/44/407237744.db2.gz NQTUWECNCXTOCJ-AEFFLSMTSA-N 1 1 317.433 1.171 40 0 DDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cccc(OC)c1)CC[C@H]2OC ZINC000096108525 407237864 /nfs/dbraw/zinc/23/78/64/407237864.db2.gz FFNMTCLHABECBU-GVDBMIGSSA-N 1 1 318.417 1.876 40 0 DDABMO Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@]2(C(=O)NCC2CC2)C1 ZINC000096110025 407238352 /nfs/dbraw/zinc/23/83/52/407238352.db2.gz DHXLICXUWPYECT-CZUORRHYSA-N 1 1 321.446 1.426 40 0 DDABMO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1CCOC1 ZINC000096184588 407244826 /nfs/dbraw/zinc/24/48/26/407244826.db2.gz RPIPUWPBSGSKSH-BNOWGMLFSA-N 1 1 307.419 1.468 40 0 DDABMO C[N@H+]1CC[C@]2(C1)COCCN(C(=O)Cc1cccc(F)c1)C2 ZINC000096201923 407248702 /nfs/dbraw/zinc/24/87/02/407248702.db2.gz YYRVZWFNAUHELQ-QGZVFWFLSA-N 1 1 306.381 1.549 40 0 DDABMO C[C@H]1C[N@@H+](C)C[C@@]12COCCN(C(=O)Cc1ccccc1)C2 ZINC000096202367 407249480 /nfs/dbraw/zinc/24/94/80/407249480.db2.gz OSEWOEWBJMFAIH-MAUKXSAKSA-N 1 1 302.418 1.656 40 0 DDABMO COCC(=O)N1CCOC[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096202185 407249887 /nfs/dbraw/zinc/24/98/87/407249887.db2.gz XUGUYORUTLHYRQ-INIZCTEOSA-N 1 1 324.446 1.445 40 0 DDABMO COc1ccccc1C[N@H+]1CCC2(CC(NS(C)(=O)=O)C2)C1 ZINC000108528011 407387478 /nfs/dbraw/zinc/38/74/78/407387478.db2.gz VOKALDGNMIECAS-UHFFFAOYSA-N 1 1 324.446 1.599 40 0 DDABMO Cc1nccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)n1 ZINC000257204013 407493354 /nfs/dbraw/zinc/49/33/54/407493354.db2.gz ASQJHPSMSRESRE-HZPDHXFCSA-N 1 1 303.337 1.548 40 0 DDABMO Cc1nccc(C[N@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)n1 ZINC000257204013 407493360 /nfs/dbraw/zinc/49/33/60/407493360.db2.gz ASQJHPSMSRESRE-HZPDHXFCSA-N 1 1 303.337 1.548 40 0 DDABMO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2cnccn2)nc1 ZINC000257223807 407502347 /nfs/dbraw/zinc/50/23/47/407502347.db2.gz DYYJSVVBKIIUQT-QGZVFWFLSA-N 1 1 311.389 1.845 40 0 DDABMO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2cnccn2)nc1 ZINC000257223807 407502353 /nfs/dbraw/zinc/50/23/53/407502353.db2.gz DYYJSVVBKIIUQT-QGZVFWFLSA-N 1 1 311.389 1.845 40 0 DDABMO O=C(c1ccc(Cl)cc1)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257226898 407507742 /nfs/dbraw/zinc/50/77/42/407507742.db2.gz FMQLDMHXFVMMGW-MRXNPFEDSA-N 1 1 324.808 1.249 40 0 DDABMO CN(c1cnccn1)[C@@H]1CC[C@@H]2C[N@H+](C3CCN(C)CC3)C[C@H]12 ZINC000257308855 407532320 /nfs/dbraw/zinc/53/23/20/407532320.db2.gz TYKMBYSLIKGGOD-HYVNUMGLSA-N 1 1 315.465 1.717 40 0 DDABMO COc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1Cl ZINC000225871327 407608957 /nfs/dbraw/zinc/60/89/57/407608957.db2.gz GQXNDLCNKYXNBX-UHFFFAOYSA-N 1 1 312.797 1.801 40 0 DDABMO Cc1ccc(O)c(C(=O)NC2CCC([NH+]3CCNCC3)CC2)c1 ZINC000332447320 410164768 /nfs/dbraw/zinc/16/47/68/410164768.db2.gz FAXBODVTGJVFSG-UHFFFAOYSA-N 1 1 317.433 1.647 40 0 DDABMO O=C(c1ccc[nH]1)N1CC[C@@H]2[C@@H]1CC[N@H+]2CC1CCOCC1 ZINC000096184450 275013706 /nfs/dbraw/zinc/01/37/06/275013706.db2.gz CFLBMQWPTBUHOZ-CVEARBPZSA-N 1 1 303.406 1.730 40 0 DDABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)ncc1C(N)=O ZINC000072356018 191130456 /nfs/dbraw/zinc/13/04/56/191130456.db2.gz RFWWNHNFQWMUAI-AWEZNQCLSA-N 1 1 311.389 1.659 40 0 DDABMO COc1ccc2cc(C[N@@H+]3CCO[C@](C)(C(N)=O)C3)ccc2c1 ZINC000072379876 191142285 /nfs/dbraw/zinc/14/22/85/191142285.db2.gz MTMMIXMSVDCDER-SFHVURJKSA-N 1 1 314.385 1.925 40 0 DDABMO COc1ccc2cc(C[N@H+]3CCO[C@](C)(C(N)=O)C3)ccc2c1 ZINC000072379876 191142288 /nfs/dbraw/zinc/14/22/88/191142288.db2.gz MTMMIXMSVDCDER-SFHVURJKSA-N 1 1 314.385 1.925 40 0 DDABMO C[N@H+]1CCC[C@@H](Cc2cncc(C(=O)N3CCOCC3)c2)C1 ZINC000072387023 191145600 /nfs/dbraw/zinc/14/56/00/191145600.db2.gz UJGMPOMADHIWTF-AWEZNQCLSA-N 1 1 303.406 1.438 40 0 DDABMO Fc1cnc(N2CCC3(C[C@@H]([NH+]4CCOCC4)CO3)CC2)nc1 ZINC000096063064 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/nfs/dbraw/zinc/55/88/46/418558846.db2.gz JRPKRGPSXFEOOO-NWDGAFQWSA-N 1 1 314.341 1.126 40 0 DDABMO O=S1(=O)CC[C@@H](NCC[NH2+]Cc2ccccc2Cl)C1 ZINC000575423214 422298685 /nfs/dbraw/zinc/29/86/85/422298685.db2.gz ZIXFIDGICCTSND-GFCCVEGCSA-N 1 1 302.827 1.206 40 0 DDABMO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000253395704 277018462 /nfs/dbraw/zinc/01/84/62/277018462.db2.gz CETIYVVDMWXCPN-KRWDZBQOSA-N 1 1 319.424 1.953 40 0 biogenic,in-vitro DDABMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000253395704 277018464 /nfs/dbraw/zinc/01/84/64/277018464.db2.gz CETIYVVDMWXCPN-KRWDZBQOSA-N 1 1 319.424 1.953 40 0 biogenic,in-vitro DDABMO COCC[NH+]1CCC(c2ccnc3c(CN(C)C)cnn32)CC1 ZINC000257269205 518058482 /nfs/dbraw/zinc/05/84/82/518058482.db2.gz MPACKAUTVLZGLG-UHFFFAOYSA-N 1 1 317.437 1.617 40 0 DDABMO COCC[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104194 354807730 /nfs/dbraw/zinc/80/77/30/354807730.db2.gz KNZFSSUCOYXBTQ-SFHVURJKSA-N 1 1 318.417 1.384 40 0 DDABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(Cc3cc(C)nn3C)C2)C1 ZINC000585103096 354807748 /nfs/dbraw/zinc/80/77/48/354807748.db2.gz PVIQMFYLMAZZJI-OAHLLOKOSA-N 1 1 306.454 1.661 40 0 DDABMO Cc1nc(C[N@H+]2C[C@H]3CN(C(=O)C4(F)CC4)C[C@H]3C2)cs1 ZINC000585107618 354807907 /nfs/dbraw/zinc/80/79/07/354807907.db2.gz WAVXCLOVRMOEDG-TXEJJXNPSA-N 1 1 309.410 1.844 40 0 DDABMO Cc1nc(C[N@@H+]2C[C@H]3CN(C(=O)C4(F)CC4)C[C@H]3C2)cs1 ZINC000585107618 354807912 /nfs/dbraw/zinc/80/79/12/354807912.db2.gz WAVXCLOVRMOEDG-TXEJJXNPSA-N 1 1 309.410 1.844 40 0 DDABMO Cc1ocnc1C(=O)N1CCC[C@H]1c1cncc(C[NH+](C)C)n1 ZINC000257276071 203003883 /nfs/dbraw/zinc/00/38/83/203003883.db2.gz NSGAKXJPZLNUMV-AWEZNQCLSA-N 1 1 315.377 1.812 40 0 DDABMO CN(C)C(=O)[C@@]1(C)C[N@H+](CCCOc2ccccc2F)CCO1 ZINC000257297105 203020752 /nfs/dbraw/zinc/02/07/52/203020752.db2.gz RFWIDGOESLLBCT-QGZVFWFLSA-N 1 1 324.396 1.774 40 0 DDABMO CN(C)C(=O)[C@@]1(C)C[N@@H+](CCCOc2ccccc2F)CCO1 ZINC000257297105 203020754 /nfs/dbraw/zinc/02/07/54/203020754.db2.gz 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Cn1cc(C[N@H+]2CCO[C@@H]3[C@H](Cn4cccc4)CC[C@@H]32)cn1 ZINC000248161222 257108152 /nfs/dbraw/zinc/10/81/52/257108152.db2.gz XQSCRTMDXYYEIP-YESZJQIVSA-N 1 1 300.406 1.901 40 0 DDABMO CN1CCC([N@@H+]2C[C@@H]3[C@H](C2)Oc2ccccc2C(=O)N3C)CC1 ZINC000514289233 257216421 /nfs/dbraw/zinc/21/64/21/257216421.db2.gz GJSGDEMDWXHONK-WBVHZDCISA-N 1 1 315.417 1.298 40 0 biogenic,in-vitro DDABMO CN1C(=O)c2ccccc2O[C@H]2CN(C3CC[NH+](C)CC3)C[C@H]21 ZINC000514289233 257216422 /nfs/dbraw/zinc/21/64/22/257216422.db2.gz GJSGDEMDWXHONK-WBVHZDCISA-N 1 1 315.417 1.298 40 0 biogenic,in-vitro DDABMO CC1CCN(C(=O)C[NH+]2CCC(O)(c3cccnc3)CC2)CC1 ZINC000012222024 406838691 /nfs/dbraw/zinc/83/86/91/406838691.db2.gz PMPJRQOSWVRZTF-UHFFFAOYSA-N 1 1 317.433 1.624 40 0 DDABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1F ZINC000073742997 406893412 /nfs/dbraw/zinc/89/34/12/406893412.db2.gz MDFOLRUDAWJXSJ-NSHDSACASA-N 1 1 311.332 1.504 40 0 DDABMO CN(C)CC(=O)N1CCC2(CC[C@H](COCC3CC3)[N@@H+]2C)CC1 ZINC000096209262 407250850 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COc1ccc([C@H]([NH3+])c2nc(-c3cnccn3)n[nH]2)cc1OC ZINC000095533824 407215541 /nfs/dbraw/zinc/21/55/41/407215541.db2.gz SNJWDSVYAJUVSH-ZDUSSCGKSA-N 1 1 312.333 1.327 40 0 DDABMO Cc1ncsc1C[N@@H+]1CC[C@H]2C[C@@H](C(=O)NC3CC3)O[C@H]2C1 ZINC000096041020 407225125 /nfs/dbraw/zinc/22/51/25/407225125.db2.gz OHAQSPDXDRMAPB-UBHSHLNASA-N 1 1 321.446 1.710 40 0 DDABMO Cc1ncsc1C[N@H+]1CC[C@H]2C[C@@H](C(=O)NC3CC3)O[C@H]2C1 ZINC000096041020 407225128 /nfs/dbraw/zinc/22/51/28/407225128.db2.gz OHAQSPDXDRMAPB-UBHSHLNASA-N 1 1 321.446 1.710 40 0 DDABMO Cc1noc([C@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000096041215 407225670 /nfs/dbraw/zinc/22/56/70/407225670.db2.gz IPODHJLXPWESLZ-BFHYXJOUSA-N 1 1 303.366 1.259 40 0 DDABMO Cc1noc([C@H]2C[C@H]3OCC[C@H]3[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000096041215 407225671 /nfs/dbraw/zinc/22/56/71/407225671.db2.gz IPODHJLXPWESLZ-BFHYXJOUSA-N 1 1 303.366 1.259 40 0 DDABMO O=S(=O)(C1CC1)N1CC2(C1)CC[N@H+](Cc1ccncc1)C2 ZINC000096046431 407227272 /nfs/dbraw/zinc/22/72/72/407227272.db2.gz PTMWEWDXJVFFFB-UHFFFAOYSA-N 1 1 307.419 1.082 40 0 DDABMO O=S(=O)(C1CC1)N1CC2(C1)CC[N@@H+](Cc1ccncc1)C2 ZINC000096046431 407227275 /nfs/dbraw/zinc/22/72/75/407227275.db2.gz PTMWEWDXJVFFFB-UHFFFAOYSA-N 1 1 307.419 1.082 40 0 DDABMO O=C(c1cnn2cccnc12)N1CC[C@@]2(CC[N@H+]2CC2CC2)C1 ZINC000096075976 407234986 /nfs/dbraw/zinc/23/49/86/407234986.db2.gz LJRPDHDXUHKXBG-QGZVFWFLSA-N 1 1 311.389 1.430 40 0 DDABMO COCC[N@@H+]1C[C@H]2C[C@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000096100415 407236768 /nfs/dbraw/zinc/23/67/68/407236768.db2.gz ILGDFMWFFMFDLY-OWCLPIDISA-N 1 1 304.390 1.039 40 0 DDABMO COCC[N@H+]1C[C@H]2C[C@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000096100415 407236770 /nfs/dbraw/zinc/23/67/70/407236770.db2.gz ILGDFMWFFMFDLY-OWCLPIDISA-N 1 1 304.390 1.039 40 0 DDABMO COc1ncccc1C[N@H+]1C[C@@H]2COC[C@]2(COCC2CC2)C1 ZINC000096108719 407237357 /nfs/dbraw/zinc/23/73/57/407237357.db2.gz AOBBPMWLCORBCL-SJLPKXTDSA-N 1 1 318.417 1.965 40 0 DDABMO F[C@@H]1C[N@H+](C2CCOCC2)C[C@@H]1OCc1nc2cccnc2[nH]1 ZINC000096112148 407238305 /nfs/dbraw/zinc/23/83/05/407238305.db2.gz MFAOPZRIHQSVBY-OCCSQVGLSA-N 1 1 320.368 1.676 40 0 biogenic,in-vitro DDABMO O=C(c1cscn1)N1CC[N@H+]2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000096183301 407243542 /nfs/dbraw/zinc/24/35/42/407243542.db2.gz NXNFGGQHXOGKKW-QWHCGFSZSA-N 1 1 307.419 1.468 40 0 DDABMO CS(=O)(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC000096185892 407246057 /nfs/dbraw/zinc/24/60/57/407246057.db2.gz OQLHDTAPAAANPM-BZUAXINKSA-N 1 1 324.446 1.010 40 0 DDABMO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@H+]([C@H]3CCOC3)C2)C1 ZINC000107191795 407370634 /nfs/dbraw/zinc/37/06/34/407370634.db2.gz JOSOOLHZKSVOAV-WMZOPIPTSA-N 1 1 315.417 1.799 40 0 DDABMO COc1ccccc1[C@H]1CNCC[N@@H+]1CC1(O)CCOCC1 ZINC000257238193 407509524 /nfs/dbraw/zinc/50/95/24/407509524.db2.gz HJYIWAPMRZQVTE-OAHLLOKOSA-N 1 1 306.406 1.183 40 0 DDABMO COc1ccccc1[C@H]1CNCC[N@H+]1CC1(O)CCOCC1 ZINC000257238193 407509528 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O=C(c1cccnc1)N1CCC[C@]2(CC[N@H+]([C@H]3CCOC3)C2)C1 ZINC000107191791 407370249 /nfs/dbraw/zinc/37/02/49/407370249.db2.gz JOSOOLHZKSVOAV-FUHWJXTLSA-N 1 1 315.417 1.799 40 0 DDABMO Cn1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)NC2CCCC2)cn1 ZINC000107200045 407370460 /nfs/dbraw/zinc/37/04/60/407370460.db2.gz LDSXWCWGKFTXPF-JKSUJKDBSA-N 1 1 317.437 1.721 40 0 DDABMO CN1[C@@H]2C[C@H](NC(=O)c3[nH]nc4ccccc43)C[C@H]1C[N@H+](C)C2 ZINC000255987491 407478156 /nfs/dbraw/zinc/47/81/56/407478156.db2.gz MHNNVDILNTUWNS-CLLJXQQHSA-N 1 1 313.405 1.070 40 0 DDABMO CN1C[C@H]2C[C@H](NC(=O)c3[nH]nc4ccccc43)C[C@@H](C1)[N@H+]2C ZINC000255987491 407478164 /nfs/dbraw/zinc/47/81/64/407478164.db2.gz MHNNVDILNTUWNS-CLLJXQQHSA-N 1 1 313.405 1.070 40 0 DDABMO CN1C[C@H]2C[C@H](NC(=O)c3[nH]nc4ccccc43)C[C@@H](C1)[N@@H+]2C ZINC000255987491 407478170 /nfs/dbraw/zinc/47/81/70/407478170.db2.gz MHNNVDILNTUWNS-CLLJXQQHSA-N 1 1 313.405 1.070 40 0 DDABMO Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccn[nH]3)CCO2)[nH+]1 ZINC000257224509 407504742 /nfs/dbraw/zinc/50/47/42/407504742.db2.gz FCCQBUQKNMMMBT-OAHLLOKOSA-N 1 1 315.377 1.393 40 0 DDABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)c2cccc(C)n2)[C@H]1O ZINC000257221515 407504832 /nfs/dbraw/zinc/50/48/32/407504832.db2.gz DPJSNNKSQMUFJN-BPLDGKMQSA-N 1 1 300.362 1.389 40 0 DDABMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1cncnc1C ZINC000257326831 407535121 /nfs/dbraw/zinc/53/51/21/407535121.db2.gz WYUFICFZWUMORM-HNNXBMFYSA-N 1 1 312.373 1.580 40 0 DDABMO CN(C)c1ccc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000026483096 276802722 /nfs/dbraw/zinc/80/27/22/276802722.db2.gz PJRBMUBCJPSEJR-RYUDHWBXSA-N 1 1 311.432 1.406 40 0 DDABMO CC[NH+]1CCN([C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)CC1 ZINC000036633888 279366324 /nfs/dbraw/zinc/36/63/24/279366324.db2.gz QOJGUUTZKKAYJB-OAHLLOKOSA-N 1 1 315.417 1.573 40 0 DDABMO CC(C)n1nnnc1[C@@H](c1ccccc1F)N1CC[NH+](C)CC1 ZINC000019454675 280809720 /nfs/dbraw/zinc/80/97/20/280809720.db2.gz JAQLBNIVIAWVLN-OAHLLOKOSA-N 1 1 318.400 1.730 40 0 DDABMO O=C([C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]2OCC[C@H]21)N1CCCC1 ZINC000097953390 332203375 /nfs/dbraw/zinc/20/33/75/332203375.db2.gz OCEBMHAIAYLOBF-GVDBMIGSSA-N 1 1 315.417 1.541 40 0 DDABMO c1ccc(NC[C@H]2CO[C@@H]3C[N@H+](C4CCOCC4)C[C@H]23)nc1 ZINC000306129764 231086246 /nfs/dbraw/zinc/08/62/46/231086246.db2.gz IMHMNGLWDNHAHH-NUEKZKHPSA-N 1 1 303.406 1.619 40 0 DDABMO C[N@@H+](CCO)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391655 185168353 /nfs/dbraw/zinc/16/83/53/185168353.db2.gz LXVYCOAIEUPCKM-INIZCTEOSA-N 1 1 306.406 1.959 40 0 DDABMO C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000082315218 185175428 /nfs/dbraw/zinc/17/54/28/185175428.db2.gz DJKZJBBWCZZYBH-CQSZACIVSA-N 1 1 305.397 1.816 40 0 DDABMO NC(=O)C[NH+]1CCC(c2cncc(Oc3ccccc3)n2)CC1 ZINC000072361864 191132249 /nfs/dbraw/zinc/13/22/49/191132249.db2.gz PJAAKHIFJGWRGC-UHFFFAOYSA-N 1 1 312.373 1.934 40 0 DDABMO COCC(=O)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2C)n1 ZINC000072378468 191141084 /nfs/dbraw/zinc/14/10/84/191141084.db2.gz FCXFQFDAPSTPFH-AWEZNQCLSA-N 1 1 300.362 1.886 40 0 DDABMO Cc1cccc(C[N@@H+]2CCO[C@](C)(C(=O)N3CCOCC3)C2)c1 ZINC000072379553 191140644 /nfs/dbraw/zinc/14/06/44/191140644.db2.gz RHJIQKWESITBPV-SFHVURJKSA-N 1 1 318.417 1.445 40 0 DDABMO Cc1cccc(C[N@H+]2CCO[C@](C)(C(=O)N3CCOCC3)C2)c1 ZINC000072379553 191140646 /nfs/dbraw/zinc/14/06/46/191140646.db2.gz RHJIQKWESITBPV-SFHVURJKSA-N 1 1 318.417 1.445 40 0 DDABMO Cc1cccc(NC(=O)C[C@H]2[NH2+][C@H]3CCCC[C@H]3NC2=O)c1 ZINC000004399854 181107241 /nfs/dbraw/zinc/10/72/41/181107241.db2.gz ZJFPNYQAZRMYPG-RRFJBIMHSA-N 1 1 301.390 1.723 40 0 DDABMO CN(C)C(=O)[C@H]1CN(C)CC[N@@H+](CC2(O)CCCCCC2)C1 ZINC000585282521 354823223 /nfs/dbraw/zinc/82/32/23/354823223.db2.gz FONKCVGSPXYWMF-HNNXBMFYSA-N 1 1 311.470 1.024 40 0 DDABMO Cc1cccc(N2CCC[C@@H]([N@@H+](C)CC3(O)CCOCC3)C2)n1 ZINC000257293582 203018813 /nfs/dbraw/zinc/01/88/13/203018813.db2.gz QQFMSXGULHLBAA-MRXNPFEDSA-N 1 1 319.449 1.832 40 0 DDABMO Cc1csc(C(=O)N(C)[C@@H]2CC[C@@H]([NH+]3CCOCC3)[C@@H]2O)c1 ZINC000257293555 203019975 /nfs/dbraw/zinc/01/99/75/203019975.db2.gz QQAXVIRUDBGXDG-UMVBOHGHSA-N 1 1 324.446 1.353 40 0 DDABMO CNc1cncc(C[C@H]2COCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257330147 203053499 /nfs/dbraw/zinc/05/34/99/203053499.db2.gz XNBROEPCXVMGOQ-OAHLLOKOSA-N 1 1 313.405 1.604 40 0 DDABMO COC(C)(C)C(=O)N1CCC(c2cc(C[NH+](C)C)n(C)n2)CC1 ZINC000019710235 182137368 /nfs/dbraw/zinc/13/73/68/182137368.db2.gz KOYFKYWZPWVVFV-UHFFFAOYSA-N 1 1 322.453 1.613 40 0 DDABMO Cc1noc([C@@]23CCO[C@@H]2CC[N@@H+](CC2CCOCC2)C3)n1 ZINC000096038747 256553138 /nfs/dbraw/zinc/55/31/38/256553138.db2.gz NBSILEOEGYLTJM-GDBMZVCRSA-N 1 1 307.394 1.537 40 0 DDABMO CN(C)C(=O)[C@H]1C[C@@H]2CC[N@@H+](CCc3ccccc3)C[C@@H]2O1 ZINC000096043164 256553837 /nfs/dbraw/zinc/55/38/37/256553837.db2.gz XCZKBXXYVNWXFG-BBWFWOEESA-N 1 1 302.418 1.797 40 0 DDABMO COc1ccc(NC(=O)C[C@H]2[NH2+][C@@H]3CCCC[C@@H]3NC2=O)cc1 ZINC000013479658 406863289 /nfs/dbraw/zinc/86/32/89/406863289.db2.gz DEVCHMZFLMYXLF-QLFBSQMISA-N 1 1 317.389 1.423 40 0 DDABMO COCCNc1cc(-c2noc([C@@H]3CCC[N@@H+]3C)n2)ccn1 ZINC000035424549 406972040 /nfs/dbraw/zinc/97/20/40/406972040.db2.gz BVZGQXIJEAQQLB-LBPRGKRZSA-N 1 1 303.366 1.957 40 0 biogenic,in-vitro DDABMO COCCNc1cc(-c2noc([C@@H]3CCC[N@H+]3C)n2)ccn1 ZINC000035424549 406972042 /nfs/dbraw/zinc/97/20/42/406972042.db2.gz BVZGQXIJEAQQLB-LBPRGKRZSA-N 1 1 303.366 1.957 40 0 biogenic,in-vitro DDABMO Cn1cc(C[N@H+]2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)cn1 ZINC000096208663 407251279 /nfs/dbraw/zinc/25/12/79/407251279.db2.gz GTEZNGDMHNFYMJ-NVXWUHKLSA-N 1 1 318.421 1.166 40 0 DDABMO CNC(=O)C[C@@H]1C[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]2O1 ZINC000096217258 407251617 /nfs/dbraw/zinc/25/16/17/407251617.db2.gz IMRSBNYSLNUVOL-HEHGZKQESA-N 1 1 318.373 1.141 40 0 DDABMO Cc1ccc(N2CCC[C@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)nn1 ZINC000096217119 407252280 /nfs/dbraw/zinc/25/22/80/407252280.db2.gz DBMKJNLXZPEFFW-QGZVFWFLSA-N 1 1 317.437 1.166 40 0 DDABMO C[NH+](C)CCN1C(=O)CCC12CCN(Cc1ccoc1)CC2 ZINC000096228039 407253972 /nfs/dbraw/zinc/25/39/72/407253972.db2.gz CXIWAVXWQIYOLP-UHFFFAOYSA-N 1 1 305.422 1.798 40 0 DDABMO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096227924 407254240 /nfs/dbraw/zinc/25/42/40/407254240.db2.gz HUNDOIRQCCWKFM-UHFFFAOYSA-N 1 1 321.446 1.565 40 0 DDABMO CC[N@H+]1CCN(C)C(=O)C12CCN(Cc1csc(C)n1)CC2 ZINC000096230244 407254347 /nfs/dbraw/zinc/25/43/47/407254347.db2.gz ZMKIHYJCFLQGAH-UHFFFAOYSA-N 1 1 322.478 1.580 40 0 DDABMO Cc1ccc(C[N@@H+]2C[C@H]3CN(CC(=O)N(C)C)C(=O)[C@H]3C2)s1 ZINC000096245020 407254673 /nfs/dbraw/zinc/25/46/73/407254673.db2.gz BWEZEEUJPXEJPQ-JSGCOSHPSA-N 1 1 321.446 1.035 40 0 DDABMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CC(=O)N3CC(=O)N(C)C)s1 ZINC000096245862 407255961 /nfs/dbraw/zinc/25/59/61/407255961.db2.gz XIQGPTANKSBQCQ-KGLIPLIRSA-N 1 1 321.446 1.320 40 0 DDABMO O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccncc2)C1)N1CCCO1 ZINC000096041263 407225197 /nfs/dbraw/zinc/22/51/97/407225197.db2.gz GJUXMPFFTYODQQ-ARFHVFGLSA-N 1 1 317.389 1.225 40 0 DDABMO O=C([C@H]1C[N@@H+](Cc2ccccn2)C[C@H]2OCC[C@H]21)N1CCCO1 ZINC000096041195 407225607 /nfs/dbraw/zinc/22/56/07/407225607.db2.gz NJORSOYFTSXFBV-HRCADAONSA-N 1 1 317.389 1.082 40 0 DDABMO Cc1noc(C)c1C[N@@H+]1CC[C@H]2C[C@H](C(=O)NC3CC3)O[C@@H]2C1 ZINC000096042762 407226390 /nfs/dbraw/zinc/22/63/90/407226390.db2.gz ZSIKIMDNGMTPLI-APHBMKBZSA-N 1 1 319.405 1.549 40 0 DDABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2C[C@H](C(=O)NC3CC3)O[C@@H]2C1 ZINC000096042762 407226391 /nfs/dbraw/zinc/22/63/91/407226391.db2.gz ZSIKIMDNGMTPLI-APHBMKBZSA-N 1 1 319.405 1.549 40 0 DDABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3S(C)(=O)=O)s1 ZINC000096055809 407229961 /nfs/dbraw/zinc/22/99/61/407229961.db2.gz RSCXBSIVDMKQES-OLZOCXBDSA-N 1 1 300.449 1.665 40 0 DDABMO COCC(=O)NC[C@]12COC[C@H]1C[N@@H+](Cc1sccc1C)C2 ZINC000096108407 407238080 /nfs/dbraw/zinc/23/80/80/407238080.db2.gz RRCAQYDAVKRPOT-CJNGLKHVSA-N 1 1 324.446 1.268 40 0 DDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C)nc(C)c1)CC[C@@H]2OC ZINC000096109415 407238128 /nfs/dbraw/zinc/23/81/28/407238128.db2.gz CRGCITTXDQVTEP-BBWFWOEESA-N 1 1 317.433 1.880 40 0 DDABMO Cc1cccc(C[N@@H+]2C[C@H]3CN(C(=O)c4cccnc4)C[C@H]3C2)n1 ZINC000096182254 407243713 /nfs/dbraw/zinc/24/37/13/407243713.db2.gz RXXIZYDDKRRZDO-CALCHBBNSA-N 1 1 322.412 1.989 40 0 DDABMO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](CC2CC2)[C@@H]2CCCO[C@H]12 ZINC000096185915 407245593 /nfs/dbraw/zinc/24/55/93/407245593.db2.gz KDJHDGGTQDIRRG-IIAWOOMASA-N 1 1 303.406 1.397 40 0 DDABMO O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)[C@H]1Cc1cccnc1 ZINC000096200101 407247757 /nfs/dbraw/zinc/24/77/57/407247757.db2.gz JJTPRODAQSSKMX-JKSUJKDBSA-N 1 1 312.369 1.988 40 0 DDABMO Cc1cccc(C[N@H+]2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)n1 ZINC000096200897 407249046 /nfs/dbraw/zinc/24/90/46/407249046.db2.gz VXVQNDHLHKTRDW-MSOLQXFVSA-N 1 1 313.449 1.871 40 0 DDABMO Cc1cccc(C[N@@H+]2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)n1 ZINC000096200897 407249049 /nfs/dbraw/zinc/24/90/49/407249049.db2.gz VXVQNDHLHKTRDW-MSOLQXFVSA-N 1 1 313.449 1.871 40 0 DDABMO c1ccc(C[N@H+]2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)nc1 ZINC000107728891 407378949 /nfs/dbraw/zinc/37/89/49/407378949.db2.gz BBUFIYUDWGHPGR-WBVHZDCISA-N 1 1 311.389 1.717 40 0 DDABMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@H]3CCOC3)CC[C@@H]21 ZINC000107203613 407370913 /nfs/dbraw/zinc/37/09/13/407370913.db2.gz WTAQGHUSQUMQGU-OWSLCNJRSA-N 1 1 318.465 1.845 40 0 DDABMO O=C(c1cscn1)N1CC[C@@H]2OCC[N@H+](CC3CC3)[C@H]2C1 ZINC000108530273 407387200 /nfs/dbraw/zinc/38/72/00/407387200.db2.gz QNLKJGYPHKPZFE-KBPBESRZSA-N 1 1 307.419 1.468 40 0 DDABMO O=C(c1cscn1)N1CC[C@@H]2OCC[N@@H+](CC3CC3)[C@H]2C1 ZINC000108530273 407387202 /nfs/dbraw/zinc/38/72/02/407387202.db2.gz QNLKJGYPHKPZFE-KBPBESRZSA-N 1 1 307.419 1.468 40 0 DDABMO Cc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)[nH]c(=O)n1 ZINC000257216055 407501189 /nfs/dbraw/zinc/50/11/89/407501189.db2.gz CSXRFJACXIPFRS-DPYKFYPSSA-N 1 1 316.405 1.578 40 0 DDABMO CNC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@H]1C(=O)N1CCCCCC1 ZINC000225404326 407579723 /nfs/dbraw/zinc/57/97/23/407579723.db2.gz NCNRZPMAZDBYIF-LSDHHAIUSA-N 1 1 307.438 1.378 40 0 biogenic,in-vitro DDABMO CNC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@H]1C(=O)N1CCCCCC1 ZINC000225404326 407579731 /nfs/dbraw/zinc/57/97/31/407579731.db2.gz NCNRZPMAZDBYIF-LSDHHAIUSA-N 1 1 307.438 1.378 40 0 biogenic,in-vitro DDABMO CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@]1([NH3+])COC ZINC000218514751 407518768 /nfs/dbraw/zinc/51/87/68/407518768.db2.gz IVEIXUKTHAQUOL-XQQFMLRXSA-N 1 1 303.811 1.584 40 0 DDABMO NC(=O)C[NH+]1CCC(c2ccnc(Nc3ccccn3)n2)CC1 ZINC000257312144 407532532 /nfs/dbraw/zinc/53/25/32/407532532.db2.gz UMQKMRNIVOZPQP-UHFFFAOYSA-N 1 1 312.377 1.280 40 0 DDABMO CC(C)[N@H+]1C[C@H]2OC[C@H](CNS(=O)(=O)c3ccccc3)[C@H]2C1 ZINC000247996327 408524011 /nfs/dbraw/zinc/52/40/11/408524011.db2.gz MQKDBIGKKVPOPS-NUEKZKHPSA-N 1 1 324.446 1.320 40 0 DDABMO Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CCCC[N@@H+]3C)nc(N)n1 ZINC000257281820 280326747 /nfs/dbraw/zinc/32/67/47/280326747.db2.gz ORDKZNAFDFYNHN-ZIAGYGMSSA-N 1 1 303.410 1.456 40 0 DDABMO CN(C)C(=O)COCC[C@H]1C[N@@H+](CC2CCC2)Cc2ccnn21 ZINC000306128854 231085472 /nfs/dbraw/zinc/08/54/72/231085472.db2.gz HMQVMHQUQBDTCH-INIZCTEOSA-N 1 1 320.437 1.535 40 0 DDABMO Cn1cc(C[N@H+]2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@H]3C2)cn1 ZINC000306129627 231086322 /nfs/dbraw/zinc/08/63/22/231086322.db2.gz IIOCTURXICWQCJ-CVEARBPZSA-N 1 1 320.400 1.908 40 0 DDABMO Cc1nc(Nc2cnccn2)cc([C@@H]2CCC[N@H+]2CCO)n1 ZINC000072360131 191130984 /nfs/dbraw/zinc/13/09/84/191130984.db2.gz VCVZOBPXHFBTCR-ZDUSSCGKSA-N 1 1 300.366 1.448 40 0 DDABMO COCC[N@@H+]1CCC[C@H]1c1nccnc1Nc1cnccn1 ZINC000072363492 191133491 /nfs/dbraw/zinc/13/34/91/191133491.db2.gz SCNNVCNMMJLZLF-LBPRGKRZSA-N 1 1 300.366 1.794 40 0 DDABMO COCC[N@H+]1CCC[C@H]1c1nccnc1Nc1cnccn1 ZINC000072363492 191133493 /nfs/dbraw/zinc/13/34/93/191133493.db2.gz SCNNVCNMMJLZLF-LBPRGKRZSA-N 1 1 300.366 1.794 40 0 DDABMO Cn1cc(C(=O)C(=O)N[C@H]2C[NH+]3CCC2CC3)c2ccccc21 ZINC000001534160 180871637 /nfs/dbraw/zinc/87/16/37/180871637.db2.gz ZNAPADWWBWFMCQ-HNNXBMFYSA-N 1 1 311.385 1.571 40 0 in-vitro DDABMO Fc1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CC2CCOCC2)nc1 ZINC000107199375 283035993 /nfs/dbraw/zinc/03/59/93/283035993.db2.gz GQTWSXMQMGKQPK-CABCVRRESA-N 1 1 306.385 1.695 40 0 DDABMO COC[C@H]1CC2(C[N@H+]1C)CCN(C(=O)c1ccnc(F)c1)CC2 ZINC000585103555 354807881 /nfs/dbraw/zinc/80/78/81/354807881.db2.gz JENDYQXIYRGGKD-CQSZACIVSA-N 1 1 321.396 1.794 40 0 DDABMO Cc1ncsc1C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](O)[C@H]1CO ZINC000585295324 354826251 /nfs/dbraw/zinc/82/62/51/354826251.db2.gz UZOZRYGAQFPZKE-IIAWOOMASA-N 1 1 322.405 1.912 40 0 DDABMO Cc1ccc(NC(=O)C[C@H]2[NH2+][C@@H]3CCCC[C@@H]3NC2=O)cc1 ZINC000005968576 181301914 /nfs/dbraw/zinc/30/19/14/181301914.db2.gz FFLXBNFRQNGMHI-QLFBSQMISA-N 1 1 301.390 1.723 40 0 DDABMO CO[C@H]1C[N@@H+](Cc2ccc(OCCO)cc2)CC[C@@]12CCCO2 ZINC000257277388 203005822 /nfs/dbraw/zinc/00/58/22/203005822.db2.gz NXUCMXUKWSAICE-ROUUACIJSA-N 1 1 321.417 1.828 40 0 DDABMO O=c1cc(C[C@H]2COCC[N@@H+](Cc3ccsc3)C2)nc[nH]1 ZINC000257297692 203023237 /nfs/dbraw/zinc/02/32/37/203023237.db2.gz RIMWTSPDLZZTEM-CYBMUJFWSA-N 1 1 305.403 1.935 40 0 DDABMO Cn1cc(C[N@@H+](C)[C@@H]2CC[C@H](Oc3ccccc3)[C@H]2O)cn1 ZINC000257280358 203007545 /nfs/dbraw/zinc/00/75/45/203007545.db2.gz OKNKSHLLMZBKEW-IKGGRYGDSA-N 1 1 301.390 1.823 40 0 DDABMO CCOC(=O)C1CC[NH+](CC(=O)NCc2ccc(C)cc2)CC1 ZINC000016476479 182046901 /nfs/dbraw/zinc/04/69/01/182046901.db2.gz YIXHFRVLFLUMKY-UHFFFAOYSA-N 1 1 318.417 1.886 40 0 DDABMO CCCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000019502119 182125653 /nfs/dbraw/zinc/12/56/53/182125653.db2.gz SWUZLGZVGLXECM-HUUCEWRRSA-N 1 1 322.457 1.331 40 0 DDABMO Cc1cccc(OCC(=O)NCCC[NH+]2CCOCC2)c1C ZINC000041288765 183183435 /nfs/dbraw/zinc/18/34/35/183183435.db2.gz HKQBPEAOOKUXTJ-UHFFFAOYSA-N 1 1 306.406 1.521 40 0 DDABMO CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)C1(CN)C[NH3+] ZINC000218373599 257130768 /nfs/dbraw/zinc/13/07/68/257130768.db2.gz YLZCHGYBXIGPRL-VXGBXAGGSA-N 1 1 302.827 1.144 40 0 DDABMO CCCC[N@@H+](C)C[C@@H]1OC[C@H](NC(=O)c2cccs2)[C@H]1O ZINC000514288405 257216599 /nfs/dbraw/zinc/21/65/99/257216599.db2.gz CVDXFEKLJBPNNK-SGMGOOAPSA-N 1 1 312.435 1.338 40 0 biogenic,in-vitro DDABMO O=C(C[NH+]1CCC(Cn2ccnc2)CC1)NCc1ccco1 ZINC000090470169 407167582 /nfs/dbraw/zinc/16/75/82/407167582.db2.gz QPFUJJBIRMAXRR-UHFFFAOYSA-N 1 1 302.378 1.505 40 0 DDABMO O=C(NCc1cccs1)[C@@H]1C[N@H+](CCO)CC12CCOCC2 ZINC000096241173 407255027 /nfs/dbraw/zinc/25/50/27/407255027.db2.gz RAULJEJXIWHCDL-AWEZNQCLSA-N 1 1 324.446 1.085 40 0 DDABMO CS(=O)(=O)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC000096260736 407257997 /nfs/dbraw/zinc/25/79/97/407257997.db2.gz LTPRPPCXFIVBAZ-UHFFFAOYSA-N 1 1 317.370 1.953 40 0 DDABMO O=C([C@H]1C[N@@H+](Cc2ccoc2)C[C@H]2OCC[C@H]21)N1CCCO1 ZINC000096041194 407225503 /nfs/dbraw/zinc/22/55/03/407225503.db2.gz XOIMZOCETUYWEP-SOUVJXGZSA-N 1 1 306.362 1.280 40 0 DDABMO O=C([C@H]1C[C@@H]2CC[N@H+](C3CCOCC3)C[C@@H]2O1)N1CCCC1 ZINC000096043196 407226341 /nfs/dbraw/zinc/22/63/41/407226341.db2.gz WASVOHZWFRSDOT-IMJJTQAJSA-N 1 1 308.422 1.267 40 0 DDABMO c1cnc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096072941 407235062 /nfs/dbraw/zinc/23/50/62/407235062.db2.gz VSMNBXKPHKSAHQ-RDJZCZTQSA-N 1 1 311.389 1.717 40 0 DDABMO CC(C)n1nc(C[NH+](C)C)c2c1CN(Cc1cnn(C)c1)C2 ZINC000096084534 407235999 /nfs/dbraw/zinc/23/59/99/407235999.db2.gz CVDFSFVZUPIRKI-UHFFFAOYSA-N 1 1 302.426 1.775 40 0 DDABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)c1ccoc1)C2 ZINC000096087563 407236094 /nfs/dbraw/zinc/23/60/94/407236094.db2.gz VVJMPEUNZPJUDL-UHFFFAOYSA-N 1 1 302.378 1.972 40 0 DDABMO CNC(=O)C(C)(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000096113068 407238361 /nfs/dbraw/zinc/23/83/61/407238361.db2.gz JLUCUQASGIFCSG-AWEZNQCLSA-N 1 1 321.396 1.431 40 0 biogenic,in-vitro DDABMO CNC(=O)C(C)(C)[N@H+]1CCC[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000096113068 407238363 /nfs/dbraw/zinc/23/83/63/407238363.db2.gz JLUCUQASGIFCSG-AWEZNQCLSA-N 1 1 321.396 1.431 40 0 biogenic,in-vitro DDABMO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2C1CCOCC1 ZINC000096184591 407244984 /nfs/dbraw/zinc/24/49/84/407244984.db2.gz GFYIEGXOYGZFEO-KGLIPLIRSA-N 1 1 307.419 1.611 40 0 DDABMO CN(C)C(=O)c1nc2c(s1)CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096187580 407245273 /nfs/dbraw/zinc/24/52/73/407245273.db2.gz ILYXVQCZOWVXAF-LLVKDONJSA-N 1 1 309.435 1.282 40 0 DDABMO C[N@H+]1CC[C@]2(C1)COCCN(Cc1ccc3c(c1)OCO3)C2 ZINC000096201915 407248617 /nfs/dbraw/zinc/24/86/17/407248617.db2.gz BJZLSDIHKQPWDN-QGZVFWFLSA-N 1 1 304.390 1.569 40 0 DDABMO CS(=O)(=O)N1CCC[C@@]12CCC[N@@H+](Cc1ccncc1)C2 ZINC000096215084 407250665 /nfs/dbraw/zinc/25/06/65/407250665.db2.gz DUGJFAYZTDGFAB-OAHLLOKOSA-N 1 1 309.435 1.472 40 0 DDABMO CC[NH+]1CCN([C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)CC1 ZINC000101274122 407309162 /nfs/dbraw/zinc/30/91/62/407309162.db2.gz GHEZITIDOMJHSD-INIZCTEOSA-N 1 1 315.417 1.573 40 0 DDABMO COc1cccc(CN2CC[C@@H]3OCC[N@@H+](CC4CC4)[C@H]3C2)n1 ZINC000108531421 407387526 /nfs/dbraw/zinc/38/75/26/407387526.db2.gz FLZIGGFPJGPBJU-IRXDYDNUSA-N 1 1 317.433 1.775 40 0 DDABMO COc1cccc(C[N@@H+]2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)n1 ZINC000108531421 407387529 /nfs/dbraw/zinc/38/75/29/407387529.db2.gz FLZIGGFPJGPBJU-IRXDYDNUSA-N 1 1 317.433 1.775 40 0 DDABMO COc1cccc(C[N@H+]2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)n1 ZINC000108531421 407387531 /nfs/dbraw/zinc/38/75/31/407387531.db2.gz FLZIGGFPJGPBJU-IRXDYDNUSA-N 1 1 317.433 1.775 40 0 DDABMO O=C(Cn1ccnc1)N1CC[C@@H]2[C@H](C1)CCCC[N@H+]2CC1CC1 ZINC000257211768 407496956 /nfs/dbraw/zinc/49/69/56/407496956.db2.gz CAHRUNXZVJAQMO-DLBZAZTESA-N 1 1 316.449 1.996 40 0 DDABMO Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000257227078 407507137 /nfs/dbraw/zinc/50/71/37/407507137.db2.gz FNNIZDQFXHJOII-AWEZNQCLSA-N 1 1 300.410 1.954 40 0 DDABMO Cc1[nH+]ccn1CC(=O)N1CC[C@@H]2[C@H](C1)CCCC(=O)N2C ZINC000257233670 407511058 /nfs/dbraw/zinc/51/10/58/407511058.db2.gz GQEHLXNNRDEMGT-UONOGXRCSA-N 1 1 304.394 1.051 40 0 DDABMO O=C(c1ccncc1)N1C[C@@H](O)[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000257265774 407527414 /nfs/dbraw/zinc/52/74/14/407527414.db2.gz MAFCFGIROZARRT-QZTJIDSGSA-N 1 1 323.396 1.325 40 0 DDABMO O=C(c1ccncc1)N1C[C@@H](O)[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000257265774 407527422 /nfs/dbraw/zinc/52/74/22/407527422.db2.gz MAFCFGIROZARRT-QZTJIDSGSA-N 1 1 323.396 1.325 40 0 DDABMO CN(C)c1cc([C@@H]2CCC[N@@H+]2CC(=O)N2CCCC2)ccn1 ZINC000257325418 407533144 /nfs/dbraw/zinc/53/31/44/407533144.db2.gz WSWMFYDJDZSGPD-HNNXBMFYSA-N 1 1 302.422 1.907 40 0 DDABMO CN(C)c1cc([C@@H]2CCC[N@H+]2CC(=O)N2CCCC2)ccn1 ZINC000257325418 407533152 /nfs/dbraw/zinc/53/31/52/407533152.db2.gz WSWMFYDJDZSGPD-HNNXBMFYSA-N 1 1 302.422 1.907 40 0 DDABMO CC(=O)N1C[C@H]2c3nc(N(C)C)ncc3C[N@H+](CC3CC3)[C@H]2C1 ZINC000306123322 409773185 /nfs/dbraw/zinc/77/31/85/409773185.db2.gz AKCHKVVHSBKJNA-CABCVRRESA-N 1 1 315.421 1.083 40 0 DDABMO CC(=O)N1C[C@H]2c3nc(N(C)C)ncc3C[N@@H+](CC3CC3)[C@H]2C1 ZINC000306123322 409773191 /nfs/dbraw/zinc/77/31/91/409773191.db2.gz AKCHKVVHSBKJNA-CABCVRRESA-N 1 1 315.421 1.083 40 0 DDABMO CC[NH+]1CCN([C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)CC1 ZINC000101274127 276199499 /nfs/dbraw/zinc/19/94/99/276199499.db2.gz QOJGUUTZKKAYJB-HNNXBMFYSA-N 1 1 315.417 1.573 40 0 DDABMO CCCNC(=O)c1[nH]nc2c1COC[C@@]21CC[N@H+](C(C)C)C1 ZINC000306136032 276265771 /nfs/dbraw/zinc/26/57/71/276265771.db2.gz PHAGOJZPFLDBRY-INIZCTEOSA-N 1 1 306.410 1.432 40 0 DDABMO Cc1cc(=O)oc2cc(NC(=O)[C@H]([NH3+])Cc3c[nH]cn3)ccc12 ZINC000098092034 484021460 /nfs/dbraw/zinc/02/14/60/484021460.db2.gz YSUYDFDITKBMJW-CYBMUJFWSA-N 1 1 312.329 1.333 40 0 DDABMO Cc1nc(Nc2cnccn2)cc([C@H]2CCC[N@@H+](CCO)C2)n1 ZINC000072360134 191130867 /nfs/dbraw/zinc/13/08/67/191130867.db2.gz MCUTUVLPTJCDIC-ZDUSSCGKSA-N 1 1 314.393 1.490 40 0 DDABMO Cc1sc2c([C@H]3CCC[N@H+](CC(N)=O)C3)nc(C)n2c1C ZINC000072367841 191136301 /nfs/dbraw/zinc/13/63/01/191136301.db2.gz SKLILZXZGYSVCE-LBPRGKRZSA-N 1 1 306.435 1.986 40 0 DDABMO Cc1sc2c([C@H]3CCC[N@@H+](CC(N)=O)C3)nc(C)n2c1C ZINC000072367841 191136303 /nfs/dbraw/zinc/13/63/03/191136303.db2.gz SKLILZXZGYSVCE-LBPRGKRZSA-N 1 1 306.435 1.986 40 0 DDABMO Cc1ccc(NC(=O)C[C@H]2[NH2+][C@H]3CCCC[C@H]3NC2=O)cc1 ZINC000004702811 181139924 /nfs/dbraw/zinc/13/99/24/181139924.db2.gz FFLXBNFRQNGMHI-RRFJBIMHSA-N 1 1 301.390 1.723 40 0 DDABMO C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2CC[C@](C)(O)[C@@H]3O5 ZINC000004216906 283107992 /nfs/dbraw/zinc/10/79/92/283107992.db2.gz NBKVWIJQJMEQLE-NGTWOADLSA-N 1 1 301.386 1.812 40 0 in-man DDABMO COCC(=O)N1CC[C@H](O)[C@@H]([N@H+]2CCc3ccccc3C2)CC1 ZINC000257297063 203021085 /nfs/dbraw/zinc/02/10/85/203021085.db2.gz RFQASOOYULZIAQ-IRXDYDNUSA-N 1 1 318.417 1.043 40 0 DDABMO Cc1ncc(C[N@@H+]2CC[C@@H](c3nc(CN(C)C)c[nH]3)C2)cn1 ZINC000257306112 203029792 /nfs/dbraw/zinc/02/97/92/203029792.db2.gz SSYNGEVSXROKIT-CQSZACIVSA-N 1 1 300.410 1.559 40 0 DDABMO CC(=O)N1CC[N@H+](Cc2ccccc2F)C[C@H](C(=O)N(C)C)C1 ZINC000257329410 203053231 /nfs/dbraw/zinc/05/32/31/203053231.db2.gz XJWVGXPBQDSCSH-HNNXBMFYSA-N 1 1 321.396 1.194 40 0 DDABMO CC(=O)N1CC[N@@H+](Cc2ccccc2F)C[C@H](C(=O)N(C)C)C1 ZINC000257329410 203053233 /nfs/dbraw/zinc/05/32/33/203053233.db2.gz XJWVGXPBQDSCSH-HNNXBMFYSA-N 1 1 321.396 1.194 40 0 DDABMO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C)C3)ncc2C1 ZINC000019501624 182125660 /nfs/dbraw/zinc/12/56/60/182125660.db2.gz WIDQTXVFDNELSR-CYBMUJFWSA-N 1 1 302.422 1.971 40 0 DDABMO CCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)C1 ZINC000019501313 182125963 /nfs/dbraw/zinc/12/59/63/182125963.db2.gz PQFWDOYHRKPOLV-LBPRGKRZSA-N 1 1 318.421 1.676 40 0 DDABMO CCOC(=O)[C@H](C)C[NH+]1CCN(C[C@H](C)C(=O)OCC)CC1 ZINC000022932100 182342558 /nfs/dbraw/zinc/34/25/58/182342558.db2.gz RWWDHEQJEDLGRP-OKILXGFUSA-N 1 1 314.426 1.002 40 0 DDABMO CNC(=O)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](CCOCc2ccccc2)C1 ZINC000096041241 256554339 /nfs/dbraw/zinc/55/43/39/256554339.db2.gz YUROVCDQHZIXIQ-GVDBMIGSSA-N 1 1 318.417 1.429 40 0 DDABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)CC)[C@H]1c1cccc(Cl)c1 ZINC000242649013 257120234 /nfs/dbraw/zinc/12/02/34/257120234.db2.gz RRFKYUCXGORNGX-MCIONIFRSA-N 1 1 317.838 1.975 40 0 DDABMO COC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000242400339 257120765 /nfs/dbraw/zinc/12/07/65/257120765.db2.gz AUWZGLJRCSXNJT-ZACQAIPSSA-N 1 1 317.410 1.970 40 0 DDABMO [NH3+][C@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000072228220 257122251 /nfs/dbraw/zinc/12/22/51/257122251.db2.gz VPAYLQXRQXFVFV-HZPDHXFCSA-N 1 1 314.316 1.965 40 0 DDABMO COc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000072227556 257122500 /nfs/dbraw/zinc/12/25/00/257122500.db2.gz GJEKQFHJPBJSFV-HZPDHXFCSA-N 1 1 312.325 1.839 40 0 DDABMO NCC1(C[NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218035604 257131219 /nfs/dbraw/zinc/13/12/19/257131219.db2.gz BFJXUQYNYILNKN-CVEARBPZSA-N 1 1 316.426 1.530 40 0 DDABMO C[NH+]1CCN(NC(=O)Cn2nc(C(F)F)cc2C(F)F)CC1 ZINC000002784677 406701335 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HAMYGVRAUIRRPG-CYBMUJFWSA-N 1 1 309.435 1.571 40 0 DDABMO Cc1nccc(C[C@@H]2COCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000257333131 407533391 /nfs/dbraw/zinc/53/33/91/407533391.db2.gz YAGTYGQIICHFCC-AWEZNQCLSA-N 1 1 301.394 1.210 40 0 DDABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(c3cc(N(C)C)ncn3)C2)C1 ZINC000248136158 408538327 /nfs/dbraw/zinc/53/83/27/408538327.db2.gz RTMROSCXFFRXPM-CQSZACIVSA-N 1 1 319.453 1.480 40 0 DDABMO CC(=O)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@H]2C(=O)N(C)C ZINC000306145254 409773247 /nfs/dbraw/zinc/77/32/47/409773247.db2.gz YSPAJHIZZKSCIB-INIZCTEOSA-N 1 1 315.417 1.055 40 0 DDABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1ccncc1)C2 ZINC000225494710 281136985 /nfs/dbraw/zinc/13/69/85/281136985.db2.gz JYFJWDDGRPTHTE-KRWDZBQOSA-N 1 1 312.417 1.988 40 0 biogenic,in-vitro DDABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1ccncc1)C2 ZINC000225494710 281136989 /nfs/dbraw/zinc/13/69/89/281136989.db2.gz JYFJWDDGRPTHTE-KRWDZBQOSA-N 1 1 312.417 1.988 40 0 biogenic,in-vitro DDABMO 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UTISUHXKOOPRES-GOSISDBHSA-N 1 1 321.417 1.352 40 0 DDABMO Cc1ccc(OC[C@@]2(O)C[N@H+](C3CCOCC3)CC[C@@H]2O)cc1 ZINC000585283522 354823019 /nfs/dbraw/zinc/82/30/19/354823019.db2.gz RNICRFXZLGYSMP-ROUUACIJSA-N 1 1 321.417 1.351 40 0 DDABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2ccc3c(c2)OCCO3)[C@@H]1OC ZINC000585290845 354824813 /nfs/dbraw/zinc/82/48/13/354824813.db2.gz HVBDJLLBCFWEFE-XYPHTWIQSA-N 1 1 323.389 1.318 40 0 DDABMO COc1cc(C)ccc1C[N@H+](C)[C@@H]1COC[C@@H](OC)[C@H]1OC ZINC000585291327 354826073 /nfs/dbraw/zinc/82/60/73/354826073.db2.gz PBHOCOHIFTUKRD-OIISXLGYSA-N 1 1 309.406 1.864 40 0 DDABMO CNc1cc([C@@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)ccn1 ZINC000257298699 203024076 /nfs/dbraw/zinc/02/40/76/203024076.db2.gz RMXQPXWIRZCJBU-OAHLLOKOSA-N 1 1 318.421 1.162 40 0 DDABMO NC(=O)CC[N@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCC(=O)N2 ZINC000257326650 203051766 /nfs/dbraw/zinc/05/17/66/203051766.db2.gz WYBMLLDEUVZUHE-SUMWQHHRSA-N 1 1 319.380 1.139 40 0 DDABMO CCc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C)CC3)C2=O)cc1 ZINC000036633847 406981558 /nfs/dbraw/zinc/98/15/58/406981558.db2.gz RFFKJLFJNPXAAA-OAHLLOKOSA-N 1 1 301.390 1.128 40 0 DDABMO CCCOc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000038302537 406999860 /nfs/dbraw/zinc/99/98/60/406999860.db2.gz BAPFNHOMIBOJPU-UHFFFAOYSA-N 1 1 306.406 1.928 40 0 DDABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cnn(C)c1)C2 ZINC000096219962 407253264 /nfs/dbraw/zinc/25/32/64/407253264.db2.gz LOINRCARLPLBPA-MSOLQXFVSA-N 1 1 318.465 1.600 40 0 DDABMO CCC(CC)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1cnn(C)c1 ZINC000096248764 407256307 /nfs/dbraw/zinc/25/63/07/407256307.db2.gz JKAONEMANUUGHX-SJORKVTESA-N 1 1 306.454 1.741 40 0 DDABMO CCN1C[C@]2(CC1=O)CN(C(C)=O)CC[N@H+](Cc1ccco1)C2 ZINC000096036128 407224574 /nfs/dbraw/zinc/22/45/74/407224574.db2.gz UJARQFROVYAXFC-QGZVFWFLSA-N 1 1 319.405 1.182 40 0 DDABMO CCN1C[C@]2(CC1=O)CN(C(C)=O)CC[N@@H+](Cc1ccco1)C2 ZINC000096036128 407224575 /nfs/dbraw/zinc/22/45/75/407224575.db2.gz UJARQFROVYAXFC-QGZVFWFLSA-N 1 1 319.405 1.182 40 0 DDABMO O=C(NC1CC1)[C@@H]1CCO[C@@H]2CC[N@H+](C3CCOCC3)C[C@H]21 ZINC000096043345 407225830 /nfs/dbraw/zinc/22/58/30/407225830.db2.gz DFNBYAAAUCNFDD-OWCLPIDISA-N 1 1 308.422 1.171 40 0 DDABMO Cc1cnc(N2CCC[C@@]3(CCC[N@@H+]3CCN(C)C)C2)nc1 ZINC000096046926 407227584 /nfs/dbraw/zinc/22/75/84/407227584.db2.gz PNEFBPIYIQLNTA-QGZVFWFLSA-N 1 1 303.454 1.781 40 0 DDABMO Cc1cnc(N2CCC[C@@]3(CCCN3CC[NH+](C)C)C2)nc1 ZINC000096046926 407227585 /nfs/dbraw/zinc/22/75/85/407227585.db2.gz PNEFBPIYIQLNTA-QGZVFWFLSA-N 1 1 303.454 1.781 40 0 DDABMO CC(C)[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccn(C)n3)C2)C1 ZINC000096076245 407234881 /nfs/dbraw/zinc/23/48/81/407234881.db2.gz LSXISEZYYZNQQS-QGZVFWFLSA-N 1 1 320.437 1.383 40 0 DDABMO CC(C)[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cncn3C)C2)C1 ZINC000096076248 407235085 /nfs/dbraw/zinc/23/50/85/407235085.db2.gz OOJHICJVDOSAHH-KRWDZBQOSA-N 1 1 320.437 1.383 40 0 DDABMO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)N(C)C)C2)s1 ZINC000096108294 407237446 /nfs/dbraw/zinc/23/74/46/407237446.db2.gz USAXNHOEUZFPHU-CJNGLKHVSA-N 1 1 323.462 1.776 40 0 DDABMO O=C(Cc1ccccn1)N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161596 407242158 /nfs/dbraw/zinc/24/21/58/407242158.db2.gz DXWZCEJUADPXKP-IYBDPMFKSA-N 1 1 322.412 1.610 40 0 DDABMO c1c(CNc2ccccn2)nc2n1CC[N@H+](C[C@@H]1CCOC1)C2 ZINC000096197516 407247849 /nfs/dbraw/zinc/24/78/49/407247849.db2.gz MRPQLGJVFUWGBX-AWEZNQCLSA-N 1 1 313.405 1.742 40 0 DDABMO c1c(CNc2ccccn2)nc2n1CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000096197516 407247851 /nfs/dbraw/zinc/24/78/51/407247851.db2.gz MRPQLGJVFUWGBX-AWEZNQCLSA-N 1 1 313.405 1.742 40 0 DDABMO Cc1ccoc1C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)CCO[C@@H]2C1 ZINC000096207089 407249513 /nfs/dbraw/zinc/24/95/13/407249513.db2.gz QYVUCLLZXZENKH-LSDHHAIUSA-N 1 1 304.390 1.771 40 0 DDABMO c1coc(C[N@@H+]2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)c1 ZINC000096202290 407250181 /nfs/dbraw/zinc/25/01/81/407250181.db2.gz PDLCKVPVUQBKHU-KRWDZBQOSA-N 1 1 314.389 1.799 40 0 DDABMO c1coc(C[N@H+]2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)c1 ZINC000096202290 407250184 /nfs/dbraw/zinc/25/01/84/407250184.db2.gz PDLCKVPVUQBKHU-KRWDZBQOSA-N 1 1 314.389 1.799 40 0 DDABMO C[NH+](C)[C@@H]1CN(S(=O)(=O)c2ccccc2)[C@@H]2CCCO[C@H]12 ZINC000107203899 407371300 /nfs/dbraw/zinc/37/13/00/407371300.db2.gz IBTBYFGRUWFJSQ-KFWWJZLASA-N 1 1 310.419 1.169 40 0 DDABMO COCCN1CC[C@]2(CCC[N@@H+](Cc3ccncc3)CC2)C1=O ZINC000108526342 407387002 /nfs/dbraw/zinc/38/70/02/407387002.db2.gz WEQSTJDDPWETNU-GOSISDBHSA-N 1 1 317.433 1.933 40 0 DDABMO C[N@@H+]1CC[C@@]1(CCCc1cccc(Br)n1)C(N)=O ZINC000257197552 407489687 /nfs/dbraw/zinc/48/96/87/407489687.db2.gz CNFBNFOVZHEUDM-ZDUSSCGKSA-N 1 1 312.211 1.726 40 0 DDABMO C[N@H+]1CC[C@@]1(CCCc1cccc(Br)n1)C(N)=O ZINC000257197552 407489694 /nfs/dbraw/zinc/48/96/94/407489694.db2.gz CNFBNFOVZHEUDM-ZDUSSCGKSA-N 1 1 312.211 1.726 40 0 DDABMO CNC(=O)C[N@@H+]1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257218132 407499413 /nfs/dbraw/zinc/49/94/13/407499413.db2.gz DBZFHJVBZOXHMN-ZDUSSCGKSA-N 1 1 302.374 1.670 40 0 DDABMO 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352163827 /nfs/dbraw/zinc/16/38/27/352163827.db2.gz QHCMKZIIPYXJDV-DZGCQCFKSA-N 1 1 320.364 1.695 40 0 DDABMO CCn1ccnc1C[N@H+]1CCC[C@@]1(COC)CC(=O)N(C)C ZINC000585276799 354820621 /nfs/dbraw/zinc/82/06/21/354820621.db2.gz QOQASCURVJUCOT-INIZCTEOSA-N 1 1 308.426 1.362 40 0 DDABMO CNC(=O)C[C@H]1C[N@@H+](CCCOc2ccccc2F)C[C@@H]1OC ZINC000585278180 354821493 /nfs/dbraw/zinc/82/14/93/354821493.db2.gz MMJNUDBKHUUEFU-BBRMVZONSA-N 1 1 324.396 1.678 40 0 DDABMO Cc1ccc(OC[C@]2(O)CC[N@@H+](CC3(O)CCOCC3)C2)cc1 ZINC000585278633 354822167 /nfs/dbraw/zinc/82/21/67/354822167.db2.gz UTISUHXKOOPRES-SFHVURJKSA-N 1 1 321.417 1.352 40 0 DDABMO O=C(C[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)NC2)NCc1ccccc1 ZINC000004984412 181184599 /nfs/dbraw/zinc/18/45/99/181184599.db2.gz YCNGFDAIUMNDNI-LSDHHAIUSA-N 1 1 301.390 1.046 40 0 DDABMO O=C(C[N@H+]1[C@@H]2CCC[C@H]1CC(=O)NC2)NCc1ccccc1 ZINC000004984412 181184601 /nfs/dbraw/zinc/18/46/01/181184601.db2.gz YCNGFDAIUMNDNI-LSDHHAIUSA-N 1 1 301.390 1.046 40 0 DDABMO 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Cc1ncc(C[N@H+]2C[C@@H]3[C@H](N(C)c4cccnn4)CC[C@@H]3C2)cn1 ZINC000257331916 407534061 /nfs/dbraw/zinc/53/40/61/407534061.db2.gz XUVVPJAJUAUGCL-IXDOHACOSA-N 1 1 324.432 1.922 40 0 DDABMO CC(=O)N1CCC(O)(C[N@H+]2CCC[C@@H]2c2cncc(C)n2)CC1 ZINC000257293087 407535072 /nfs/dbraw/zinc/53/50/72/407535072.db2.gz QOAWYWOICMDTSP-MRXNPFEDSA-N 1 1 318.421 1.295 40 0 DDABMO [NH3+][C@H](C(=O)N[C@H]1C(=O)N2C=C(Cl)CS[C@@H]12)c1ccccc1 ZINC000521813221 421799844 /nfs/dbraw/zinc/79/98/44/421799844.db2.gz VWVYOMJTZSHVIP-MJVIPROJSA-N 1 1 323.805 1.167 40 0 DDABMO C[NH+](C)CCN(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000575420017 422296139 /nfs/dbraw/zinc/29/61/39/422296139.db2.gz DFFDXVYBLRYZEN-HNNXBMFYSA-N 1 1 314.426 1.376 40 0 DDABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(C(=O)c3cncc(C)c3)C2)C1 ZINC000306141344 529029801 /nfs/dbraw/zinc/02/98/01/529029801.db2.gz VSTMKXZDUOMFJA-HNNXBMFYSA-N 1 1 317.433 1.963 40 0 DDABMO COC[C@H]1CC[N@H+](C)C2(CN(C(=O)c3csc(C)n3)C2)C1 ZINC000306128333 231085739 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C[C@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@@H](C3OCCO3)C2)C1 ZINC000195529888 201397922 /nfs/dbraw/zinc/39/79/22/201397922.db2.gz DFKJLPXXNXAPEF-SOUVJXGZSA-N 1 1 310.438 1.576 40 0 DDABMO O[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[C@H]1[NH+]1CCOCC1 ZINC000019292949 182113787 /nfs/dbraw/zinc/11/37/87/182113787.db2.gz UHCBSJVBHSLIMA-HZPDHXFCSA-N 1 1 312.360 1.232 40 0 DDABMO Cc1ccc(-c2nnc([C@H]3CCC[N@H+](CC(N)=O)C3)o2)s1 ZINC000019217580 182108470 /nfs/dbraw/zinc/10/84/70/182108470.db2.gz WULDVRZIOHXQKO-JTQLQIEISA-N 1 1 306.391 1.771 40 0 DDABMO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+](CC(N)=O)C3)o2)s1 ZINC000019217580 182108471 /nfs/dbraw/zinc/10/84/71/182108471.db2.gz WULDVRZIOHXQKO-JTQLQIEISA-N 1 1 306.391 1.771 40 0 DDABMO Cc1[nH+]ccn1CCC(=O)N1CC(C(=O)N2CCCCC2)C1 ZINC000019747452 182142810 /nfs/dbraw/zinc/14/28/10/182142810.db2.gz DEVQUUDEHXIOGD-UHFFFAOYSA-N 1 1 304.394 1.053 40 0 DDABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000072227162 257122238 /nfs/dbraw/zinc/12/22/38/257122238.db2.gz NWLUDMFVKCUTTK-JKSUJKDBSA-N 1 1 312.325 1.839 40 0 DDABMO Cc1ccc(C(=O)N2C[C@@H](O)[C@H]([NH+]3CCC(F)(F)CC3)C2)cc1 ZINC000257263133 292067696 /nfs/dbraw/zinc/06/76/96/292067696.db2.gz LOOJQSNSSJQFAE-HUUCEWRRSA-N 1 1 324.371 1.911 40 0 DDABMO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1OC(=O)c1ccccc1)[N@H+]2C ZINC000000001212 406616326 /nfs/dbraw/zinc/61/63/26/406616326.db2.gz ZPUCINDJVBIVPJ-YJNKXOJESA-N 1 1 303.358 1.868 40 0 biogenic,in-vitro DDABMO Cc1[nH+]ccn1CCNC(=O)[C@]1(C)CC(c2ccccc2)=NO1 ZINC000012147306 406837024 /nfs/dbraw/zinc/83/70/24/406837024.db2.gz FQONGUYBFCQGDT-KRWDZBQOSA-N 1 1 312.373 1.891 40 0 DDABMO COc1ccccc1NC(=O)C[C@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O ZINC000013769678 406867763 /nfs/dbraw/zinc/86/77/63/406867763.db2.gz VLOFYTGPIZMFDG-MBNYWOFBSA-N 1 1 317.389 1.423 40 0 DDABMO CN1C(SCc2ccc(F)cc2)=[NH+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000032508612 406949127 /nfs/dbraw/zinc/94/91/27/406949127.db2.gz VRVUGBVWDBRWNP-NEPJUHHUSA-N 1 1 314.407 1.526 40 0 DDABMO 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DDABMO CC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)CC[C@@H]1O ZINC000585260794 354817749 /nfs/dbraw/zinc/81/77/49/354817749.db2.gz IXNQZOQJROMFHL-WMZOPIPTSA-N 1 1 315.417 1.640 40 0 DDABMO Cn1cnc(C[N@@H+]2CCC[C@](O)(COc3ccc(F)cc3)C2)c1 ZINC000585269001 354818481 /nfs/dbraw/zinc/81/84/81/354818481.db2.gz HBCNZEWOJSEEPX-QGZVFWFLSA-N 1 1 319.380 1.965 40 0 DDABMO Cn1cnc(C[N@H+]2CCC[C@](O)(COc3ccc(F)cc3)C2)c1 ZINC000585269001 354818484 /nfs/dbraw/zinc/81/84/84/354818484.db2.gz HBCNZEWOJSEEPX-QGZVFWFLSA-N 1 1 319.380 1.965 40 0 DDABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)NCCn1ccnc1 ZINC000019288247 182112666 /nfs/dbraw/zinc/11/26/66/182112666.db2.gz STCCYYATNAXGEG-UHFFFAOYSA-N 1 1 309.373 1.866 40 0 DDABMO Cc1ccc(C)c(OCC(=O)NCCC[NH+]2CCN(C)CC2)c1 ZINC000061523937 184172345 /nfs/dbraw/zinc/17/23/45/184172345.db2.gz SFEOQKSIPKDSTE-UHFFFAOYSA-N 1 1 319.449 1.436 40 0 DDABMO COc1c2c(cc3c1[C@H](c1c(C)[nH][nH]c1=O)[N@H+](C)CC3)OCO2 ZINC000019690915 286188656 /nfs/dbraw/zinc/18/86/56/286188656.db2.gz 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CCOCC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2c(C)noc2C)C1 ZINC000585102292 354807980 /nfs/dbraw/zinc/80/79/80/354807980.db2.gz WKRKCTWIZPMBPE-KRWDZBQOSA-N 1 1 321.421 1.895 40 0 DDABMO CCOCC(=O)N1CCC[C@]2(CC[N@H+]2Cc2c(C)noc2C)C1 ZINC000585102292 354807984 /nfs/dbraw/zinc/80/79/84/354807984.db2.gz WKRKCTWIZPMBPE-KRWDZBQOSA-N 1 1 321.421 1.895 40 0 DDABMO Cn1cncc1C[N@@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585269096 354818443 /nfs/dbraw/zinc/81/84/43/354818443.db2.gz JZERXQXRLGAUCB-KRWDZBQOSA-N 1 1 301.390 1.826 40 0 DDABMO Cn1cncc1C[N@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585269096 354818445 /nfs/dbraw/zinc/81/84/45/354818445.db2.gz JZERXQXRLGAUCB-KRWDZBQOSA-N 1 1 301.390 1.826 40 0 DDABMO CO[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1CC(N)=O ZINC000585275475 354819500 /nfs/dbraw/zinc/81/95/00/354819500.db2.gz BMPVTJJNDXTYBW-NVXWUHKLSA-N 1 1 313.401 1.947 40 0 DDABMO Cn1cncc1C[N@@H+](C)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O ZINC000257276677 203005924 /nfs/dbraw/zinc/00/59/24/203005924.db2.gz 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257215173 /nfs/dbraw/zinc/21/51/73/257215173.db2.gz YRPZLQCTCSDNIP-SOUVJXGZSA-N 1 1 322.409 1.063 40 0 biogenic,in-vitro DDABMO CC(C)CCn1nnnc1[C@@H](C(C)C)[NH+]1CCC(C(N)=O)CC1 ZINC000000416788 406644761 /nfs/dbraw/zinc/64/47/61/406644761.db2.gz ASIINKDXMUDVDD-CQSZACIVSA-N 1 1 322.457 1.614 40 0 DDABMO C1CN([C@@H]2CC[C@H]3S[C@@H]2CC[C@@H]3[NH+]2CCOCC2)CCO1 ZINC000015319992 406879996 /nfs/dbraw/zinc/87/99/96/406879996.db2.gz AISSRCQTANXUHV-QKPAOTATSA-N 1 1 312.479 1.446 40 0 DDABMO C1CN([C@H]2CC[C@H]3S[C@@H]2CC[C@H]3[NH+]2CCOCC2)CCO1 ZINC000015319992 406880001 /nfs/dbraw/zinc/88/00/01/406880001.db2.gz AISSRCQTANXUHV-QKPAOTATSA-N 1 1 312.479 1.446 40 0 DDABMO Cc1ccc(CSC2=[NH+][C@H]3CS(=O)(=O)C[C@H]3N2C)cc1 ZINC000032508693 406949073 /nfs/dbraw/zinc/94/90/73/406949073.db2.gz ZMCNAEPKMHSXDG-QWHCGFSZSA-N 1 1 310.444 1.695 40 0 DDABMO Cc1cccc(CSC2=[NH+][C@@H]3CS(=O)(=O)C[C@@H]3N2C)c1 ZINC000032508760 406949251 /nfs/dbraw/zinc/94/92/51/406949251.db2.gz MAHYFZWANIYXQS-OLZOCXBDSA-N 1 1 310.444 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FMKQJMXMULAEPO-PMPSAXMXSA-N 1 1 323.462 1.574 40 0 DDABMO CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC000096185705 407244391 /nfs/dbraw/zinc/24/43/91/407244391.db2.gz NSWSNTCDMGDICC-IKGGRYGDSA-N 1 1 302.422 1.604 40 0 DDABMO Cn1cc(N2C(=O)C[C@H]3[C@H]2CC[N@H+]3Cc2cccc(F)c2)cn1 ZINC000096184172 407244553 /nfs/dbraw/zinc/24/45/53/407244553.db2.gz XTOFJRJFBHCMAJ-CVEARBPZSA-N 1 1 314.364 1.939 40 0 DDABMO C[N@H+]1[C@@H](C(=O)NCC2CC2)C[C@H]2CN(Cc3nccs3)C[C@H]21 ZINC000096185737 407244657 /nfs/dbraw/zinc/24/46/57/407244657.db2.gz NCSMKMTWJXWQHQ-BFHYXJOUSA-N 1 1 320.462 1.174 40 0 DDABMO C[N@@H+]1[C@@H](C(=O)NCC2CC2)C[C@H]2CN(Cc3nccs3)C[C@H]21 ZINC000096185737 407244658 /nfs/dbraw/zinc/24/46/58/407244658.db2.gz NCSMKMTWJXWQHQ-BFHYXJOUSA-N 1 1 320.462 1.174 40 0 DDABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(CC1CCOCC1)C2 ZINC000096201075 407248171 /nfs/dbraw/zinc/24/81/71/407248171.db2.gz ZODYWCGHIZOUGC-UHFFFAOYSA-N 1 1 306.454 1.966 40 0 DDABMO Cc1ccc(CN2CC3(C2)CC[N@@H+](CC(=O)N(C)C)C3)s1 ZINC000096202648 407249906 /nfs/dbraw/zinc/24/99/06/407249906.db2.gz WOHNTARRTOKBIX-UHFFFAOYSA-N 1 1 307.463 1.652 40 0 DDABMO Cc1ccc(CN2CC3(C2)CC[N@H+](CC(=O)N(C)C)C3)s1 ZINC000096202648 407249909 /nfs/dbraw/zinc/24/99/09/407249909.db2.gz WOHNTARRTOKBIX-UHFFFAOYSA-N 1 1 307.463 1.652 40 0 DDABMO COc1ccc(CN2C(=O)CO[C@H]3C[N@@H+](C4CCC4)C[C@H]32)cc1 ZINC000067897212 407289278 /nfs/dbraw/zinc/28/92/78/407289278.db2.gz UDLZABXOIDPRED-SJORKVTESA-N 1 1 316.401 1.659 40 0 biogenic,in-vitro DDABMO O=C1CO[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2N1Cc1ccccn1 ZINC000067897142 407289433 /nfs/dbraw/zinc/28/94/33/407289433.db2.gz YEFPJJPFSSLXRO-MSOLQXFVSA-N 1 1 323.396 1.693 40 0 biogenic,in-vitro DDABMO O=C1CO[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2N1Cc1ccccn1 ZINC000067897142 407289435 /nfs/dbraw/zinc/28/94/35/407289435.db2.gz YEFPJJPFSSLXRO-MSOLQXFVSA-N 1 1 323.396 1.693 40 0 biogenic,in-vitro DDABMO c1coc(CN2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC000107746699 407379158 /nfs/dbraw/zinc/37/91/58/407379158.db2.gz SVRFHZLKGGAPMV-ZFWWWQNUSA-N 1 1 300.362 1.407 40 0 DDABMO C[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3cccnc3)CC[C@@H]21 ZINC000107203460 407370966 /nfs/dbraw/zinc/37/09/66/407370966.db2.gz SIFFBJDSUQGYJC-SQNIBIBYSA-N 1 1 311.433 1.873 40 0 DDABMO O=C(NC1CC2(C1)CC[N@@H+](Cc1ccccn1)C2)c1cnccn1 ZINC000108528359 407387759 /nfs/dbraw/zinc/38/77/59/407387759.db2.gz OETPREBAERFEIN-UHFFFAOYSA-N 1 1 323.400 1.656 40 0 DDABMO COCC[N@H+]1CCC[C@@](CCCc2cccnc2)(C(N)=O)C1 ZINC000257216147 407499626 /nfs/dbraw/zinc/49/96/26/407499626.db2.gz CTHYQHTYDVBPIE-QGZVFWFLSA-N 1 1 305.422 1.618 40 0 DDABMO CC(=O)NCc1cncc([C@@H]2CCC[N@H+]2C2CCN(C)CC2)n1 ZINC000257233717 407510190 /nfs/dbraw/zinc/51/01/90/407510190.db2.gz GQKJMQNWZYUWKM-KRWDZBQOSA-N 1 1 317.437 1.344 40 0 DDABMO CC(=O)NCc1cncc([C@@H]2CCC[N@@H+]2C2CCN(C)CC2)n1 ZINC000257233717 407510193 /nfs/dbraw/zinc/51/01/93/407510193.db2.gz GQKJMQNWZYUWKM-KRWDZBQOSA-N 1 1 317.437 1.344 40 0 DDABMO c1coc(CN2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC000253588803 407460956 /nfs/dbraw/zinc/46/09/56/407460956.db2.gz SVRFHZLKGGAPMV-HIFRSBDPSA-N 1 1 300.362 1.407 40 0 DDABMO CNC(=O)[C@@H](C1CC1)[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1 ZINC000225404056 407581064 /nfs/dbraw/zinc/58/10/64/407581064.db2.gz IPBUQDWVFWVLOB-JKSUJKDBSA-N 1 1 315.417 1.292 40 0 biogenic,in-vitro DDABMO CNC(=O)[C@@H](C1CC1)[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1 ZINC000225404056 407581071 /nfs/dbraw/zinc/58/10/71/407581071.db2.gz IPBUQDWVFWVLOB-JKSUJKDBSA-N 1 1 315.417 1.292 40 0 biogenic,in-vitro DDABMO C[NH+](C)Cc1cncc([C@H]2CCCN2C(=O)c2cncs2)n1 ZINC000257249648 407516848 /nfs/dbraw/zinc/51/68/48/407516848.db2.gz JJFHFJJSXFRNMC-CYBMUJFWSA-N 1 1 317.418 1.972 40 0 DDABMO Cc1cnc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)cn1 ZINC000257247636 407517267 /nfs/dbraw/zinc/51/72/67/407517267.db2.gz IZWPWEWFVGDMDJ-FAYQHZLMSA-N 1 1 300.406 1.872 40 0 DDABMO CC(=O)N1CCC(O)(C[N@H+]2CCC[C@@H](c3n[nH]cc3C)C2)CC1 ZINC000257259234 407523161 /nfs/dbraw/zinc/52/31/61/407523161.db2.gz KXKUSHZQFXWCHB-OAHLLOKOSA-N 1 1 320.437 1.271 40 0 DDABMO CNc1cc(CC[C@@H]2CN(C(=O)c3cc[nH]n3)CCO2)cc[nH+]1 ZINC000257269643 407530409 /nfs/dbraw/zinc/53/04/09/407530409.db2.gz MQTZGDHVJARIHW-CYBMUJFWSA-N 1 1 315.377 1.320 40 0 DDABMO CNc1cc(CC[C@@H]2CN(C(=O)c3ccn[nH]3)CCO2)cc[nH+]1 ZINC000257269643 407530417 /nfs/dbraw/zinc/53/04/17/407530417.db2.gz MQTZGDHVJARIHW-CYBMUJFWSA-N 1 1 315.377 1.320 40 0 DDABMO Cc1ccc(N2CC[C@@H]3OCC[N@@H+](CC4CC4)[C@H]3CC2)nn1 ZINC000247930015 408516759 /nfs/dbraw/zinc/51/67/59/408516759.db2.gz QKBXDFSSZSDOGK-HOTGVXAUSA-N 1 1 302.422 1.865 40 0 DDABMO CC(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3csnn3)CC[C@H]21 ZINC000248272014 408544883 /nfs/dbraw/zinc/54/48/83/408544883.db2.gz ZVPMVFAQJZGERK-ZIAGYGMSSA-N 1 1 324.450 1.500 40 0 DDABMO COC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)COC3CCCC3)C2)C1 ZINC000248145539 408540312 /nfs/dbraw/zinc/54/03/12/408540312.db2.gz RSJDZHPOSDKVEG-CQSZACIVSA-N 1 1 310.438 1.515 40 0 DDABMO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH+]3CCCC3)C2=O)cc1 ZINC000000121686 277077370 /nfs/dbraw/zinc/07/73/70/277077370.db2.gz XJDSAXMMSNCKBZ-AWEZNQCLSA-N 1 1 301.346 1.373 40 0 DDABMO CCS(=O)(=O)N[C@H]1CCO[C@]2(CC[N@H+](C3CCC3)C2)C1 ZINC000096220405 280028277 /nfs/dbraw/zinc/02/82/77/280028277.db2.gz WGBTXRGILPSHCO-GXTWGEPZSA-N 1 1 302.440 1.102 40 0 DDABMO Fc1cnc(N2CCC3(C[C@H]([NH+]4CCOCC4)CO3)CC2)nc1 ZINC000096063063 283033064 /nfs/dbraw/zinc/03/30/64/283033064.db2.gz YQCAORMHJAPLJK-AWEZNQCLSA-N 1 1 322.384 1.076 40 0 DDABMO O=C(C1CC(F)C1)N1CC[C@@H]2C[N@@H+](CC3CC3)CCO[C@@H]2C1 ZINC000585108263 354808707 /nfs/dbraw/zinc/80/87/07/354808707.db2.gz JFQVYRHJAFQWBY-PRLABOORSA-N 1 1 310.413 1.694 40 0 DDABMO CCc1[nH+]ccn1CCC(=O)N1CCOC[C@H]1c1n[nH]cc1C ZINC000257202335 202937462 /nfs/dbraw/zinc/93/74/62/202937462.db2.gz ALIGFVWJHCLCCG-ZDUSSCGKSA-N 1 1 317.393 1.467 40 0 DDABMO COCC[N@H+]1CC[C@@H](Cc2cncc(-c3cc(C)[nH]n3)n2)C1 ZINC000257330881 203052375 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C[NH+]1CCN(NC(=O)CSc2cccc3cccnc32)CC1 ZINC000016189111 182036503 /nfs/dbraw/zinc/03/65/03/182036503.db2.gz RHJZUDTWKAAIQS-UHFFFAOYSA-N 1 1 316.430 1.606 40 0 DDABMO COc1cccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc3c(c2)OCO3)c1 ZINC000072227572 257122685 /nfs/dbraw/zinc/12/26/85/257122685.db2.gz HZRSHQWNSKDWBC-HZPDHXFCSA-N 1 1 312.325 1.839 40 0 DDABMO NCC1(C[NH3+])[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000218035844 257131691 /nfs/dbraw/zinc/13/16/91/257131691.db2.gz BFJXUQYNYILNKN-JKSUJKDBSA-N 1 1 316.426 1.530 40 0 DDABMO O=C(C[C@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)Nc1cccc(F)c1 ZINC000013856450 406868933 /nfs/dbraw/zinc/86/89/33/406868933.db2.gz XLHXJMXTDYAYLA-HZSPNIEDSA-N 1 1 305.353 1.554 40 0 DDABMO C1CN([C@H]2CC[C@H]3S[C@@H]2CC[C@@H]3[NH+]2CCOCC2)CCO1 ZINC000015319995 406879726 /nfs/dbraw/zinc/87/97/26/406879726.db2.gz AISSRCQTANXUHV-CAOSSQGBSA-N 1 1 312.479 1.446 40 0 DDABMO C[C@]1(C(N)=O)C[N@H+](Cc2ccccc2N2CCCC2)CCO1 ZINC000072379849 406882166 /nfs/dbraw/zinc/88/21/66/406882166.db2.gz SQFOGJOVWDXKLL-QGZVFWFLSA-N 1 1 303.406 1.363 40 0 DDABMO C[C@]1(C(N)=O)C[N@@H+](Cc2ccccc2N2CCCC2)CCO1 ZINC000072379849 406882168 /nfs/dbraw/zinc/88/21/68/406882168.db2.gz SQFOGJOVWDXKLL-QGZVFWFLSA-N 1 1 303.406 1.363 40 0 DDABMO Cc1ccc(CSC2=[NH+][C@@H]3CS(=O)(=O)C[C@@H]3N2C)cc1 ZINC000032508696 406949125 /nfs/dbraw/zinc/94/91/25/406949125.db2.gz ZMCNAEPKMHSXDG-OLZOCXBDSA-N 1 1 310.444 1.695 40 0 DDABMO O=C1N(Cc2ccccn2)C[C@H]2C[N@H+](C3CCOCC3)CCN12 ZINC000077266599 406982349 /nfs/dbraw/zinc/98/23/49/406982349.db2.gz BMMFFQLHZBSYQK-MRXNPFEDSA-N 1 1 316.405 1.182 40 0 biogenic,in-vitro DDABMO COC[C@@H]1CC2(C[N@H+]1C)CCN(C(=O)Cc1ccco1)CC2 ZINC000096209696 407251310 /nfs/dbraw/zinc/25/13/10/407251310.db2.gz SREPBZIMEKVVRD-AWEZNQCLSA-N 1 1 306.406 1.781 40 0 DDABMO O=C(C[C@H]1OC[C@H]2C[N@H+](C3CCC3)CC[C@@H]12)N1CCCCO1 ZINC000096218017 407251609 /nfs/dbraw/zinc/25/16/09/407251609.db2.gz FVFJJFBQOZDFGK-FVQBIDKESA-N 1 1 308.422 1.820 40 0 DDABMO Cc1nc(CN2CCC3(CC2)C(=O)N(C)CC[N@@H+]3C)cs1 ZINC000096230019 407253900 /nfs/dbraw/zinc/25/39/00/407253900.db2.gz GYLXSGXUVNJCAM-UHFFFAOYSA-N 1 1 308.451 1.190 40 0 DDABMO Cc1nc(CN2CCC3(CC2)C(=O)N(C)CC[N@H+]3C)cs1 ZINC000096230019 407253902 /nfs/dbraw/zinc/25/39/02/407253902.db2.gz GYLXSGXUVNJCAM-UHFFFAOYSA-N 1 1 308.451 1.190 40 0 DDABMO Cn1cc(C[N@@H+]2CCO[C@H]3[C@@H](Cn4cccc4)CC[C@@H]32)cn1 ZINC000096250206 407255855 /nfs/dbraw/zinc/25/58/55/407255855.db2.gz XQSCRTMDXYYEIP-IKGGRYGDSA-N 1 1 300.406 1.901 40 0 DDABMO Cn1cc(C[N@H+]2CCO[C@H]3[C@@H](Cn4cccc4)CC[C@@H]32)cn1 ZINC000096250206 407255857 /nfs/dbraw/zinc/25/58/57/407255857.db2.gz XQSCRTMDXYYEIP-IKGGRYGDSA-N 1 1 300.406 1.901 40 0 DDABMO Cn1cc(CN2CCO[C@H]3C[N@H+](Cc4ccsc4)C[C@H]32)cn1 ZINC000096248753 407256004 /nfs/dbraw/zinc/25/60/04/407256004.db2.gz BTORMZRLSHATBR-CVEARBPZSA-N 1 1 318.446 1.567 40 0 DDABMO Cn1cc(CN2CCO[C@H]3C[N@@H+](Cc4ccsc4)C[C@H]32)cn1 ZINC000096248753 407256006 /nfs/dbraw/zinc/25/60/06/407256006.db2.gz BTORMZRLSHATBR-CVEARBPZSA-N 1 1 318.446 1.567 40 0 DDABMO CC(C)CNc1nc2c(cc1C(=O)N(C)C)CC[N@@H+](C)CC2 ZINC000096260516 407258156 /nfs/dbraw/zinc/25/81/56/407258156.db2.gz SAZXYXMBQCQRIL-UHFFFAOYSA-N 1 1 304.438 1.882 40 0 DDABMO CC[C@H]1CN(C(=O)NC[C@@H](c2cnn(C)c2)[NH+](C)C)C[C@H](C)O1 ZINC000096410730 407261107 /nfs/dbraw/zinc/26/11/07/407261107.db2.gz MZUBPBKZLOZVMX-QEJZJMRPSA-N 1 1 323.441 1.232 40 0 DDABMO O=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccoc2)C1 ZINC000096041205 407225361 /nfs/dbraw/zinc/22/53/61/407225361.db2.gz APSBTXNUISJUKV-ARFHVFGLSA-N 1 1 304.390 1.785 40 0 DDABMO CC[N@H+]1CC[C@H]2OCC[C@@H](C(=O)NCc3cccnc3)[C@H]2C1 ZINC000096043476 407225863 /nfs/dbraw/zinc/22/58/63/407225863.db2.gz SKKKOFYVHRLZPP-BZUAXINKSA-N 1 1 303.406 1.445 40 0 DDABMO Cc1nnc([C@H]2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3O2)[nH]1 ZINC000096046198 407226959 /nfs/dbraw/zinc/22/69/59/407226959.db2.gz UCBQKWTWXBYOCC-BFHYXJOUSA-N 1 1 302.382 1.199 40 0 DDABMO Cc1nnc([C@H]2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3O2)[nH]1 ZINC000096046198 407226962 /nfs/dbraw/zinc/22/69/62/407226962.db2.gz UCBQKWTWXBYOCC-BFHYXJOUSA-N 1 1 302.382 1.199 40 0 DDABMO Cn1cc(C[N@@H+]2C[C@@H](OCc3ccccn3)[C@H]3COC[C@H]32)cn1 ZINC000096055890 407228951 /nfs/dbraw/zinc/22/89/51/407228951.db2.gz YYPDHYDELZPNKQ-GVDBMIGSSA-N 1 1 314.389 1.231 40 0 DDABMO Cn1cc(C[N@H+]2C[C@@H](OCc3ccccn3)[C@H]3COC[C@H]32)cn1 ZINC000096055890 407228954 /nfs/dbraw/zinc/22/89/54/407228954.db2.gz YYPDHYDELZPNKQ-GVDBMIGSSA-N 1 1 314.389 1.231 40 0 DDABMO O=C(NCc1ccco1)[C@H]1C[N@H+](C2CCC2)C[C@H]2OCC[C@H]21 ZINC000096065590 407232622 /nfs/dbraw/zinc/23/26/22/407232622.db2.gz VVJBSLMCCOGMMW-HRCADAONSA-N 1 1 304.390 1.785 40 0 DDABMO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc(C)s3)C[C@@H]2C1 ZINC000096107976 407237872 /nfs/dbraw/zinc/23/78/72/407237872.db2.gz KDRLOTDBFNFPJK-GOEBONIOSA-N 1 1 310.463 1.836 40 0 DDABMO COCCN1CCO[C@@H]2C[N@H+](Cc3ccc(C)s3)C[C@@H]2C1 ZINC000096107976 407237875 /nfs/dbraw/zinc/23/78/75/407237875.db2.gz KDRLOTDBFNFPJK-GOEBONIOSA-N 1 1 310.463 1.836 40 0 DDABMO COCCN1CCO[C@@H]2C[N@@H+](Cc3ccc(C)s3)C[C@@H]2C1 ZINC000096107976 407237876 /nfs/dbraw/zinc/23/78/76/407237876.db2.gz KDRLOTDBFNFPJK-GOEBONIOSA-N 1 1 310.463 1.836 40 0 DDABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C3CC3)on1)CC[C@H]2OC ZINC000096108540 407237899 /nfs/dbraw/zinc/23/78/99/407237899.db2.gz FOEWXEVDJMAWBB-NWANDNLSSA-N 1 1 319.405 1.733 40 0 DDABMO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@H+]([C@@H]3CCOC3)C2)C1 ZINC000096158171 407241796 /nfs/dbraw/zinc/24/17/96/407241796.db2.gz JOSOOLHZKSVOAV-AEFFLSMTSA-N 1 1 315.417 1.799 40 0 DDABMO Cc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC(=O)N(C)C)n1 ZINC000096184387 407244576 /nfs/dbraw/zinc/24/45/76/407244576.db2.gz PAPWZUQAZPXQJZ-CVEARBPZSA-N 1 1 302.422 1.127 40 0 DDABMO Cc1cccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC(=O)N(C)C)n1 ZINC000096184387 407244578 /nfs/dbraw/zinc/24/45/78/407244578.db2.gz PAPWZUQAZPXQJZ-CVEARBPZSA-N 1 1 302.422 1.127 40 0 DDABMO Cc1cccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CC(=O)N(C)C)n1 ZINC000096184387 407244581 /nfs/dbraw/zinc/24/45/81/407244581.db2.gz PAPWZUQAZPXQJZ-CVEARBPZSA-N 1 1 302.422 1.127 40 0 DDABMO CN(C)C(=O)N1CCOC[C@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC000096202231 407249247 /nfs/dbraw/zinc/24/92/47/407249247.db2.gz SRJHWLQIJZQBEE-HNNXBMFYSA-N 1 1 324.450 1.349 40 0 DDABMO CN(C)C(=O)N1CCOC[C@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC000096202231 407249248 /nfs/dbraw/zinc/24/92/48/407249248.db2.gz SRJHWLQIJZQBEE-HNNXBMFYSA-N 1 1 324.450 1.349 40 0 DDABMO c1coc(CN2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096202030 407250069 /nfs/dbraw/zinc/25/00/69/407250069.db2.gz IQVYHAYNHUVKHP-SFHVURJKSA-N 1 1 320.433 1.983 40 0 DDABMO COCCNC(=O)C[C@H]1C[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096208171 407250447 /nfs/dbraw/zinc/25/04/47/407250447.db2.gz LZYHHXKSEWXHJI-RRFJBIMHSA-N 1 1 324.446 1.490 40 0 DDABMO CCS(=O)(=O)[C@H](CO)[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000096525264 407274012 /nfs/dbraw/zinc/27/40/12/407274012.db2.gz LKOUWGFEAMZWMM-GHMZBOCLSA-N 1 1 312.218 1.789 40 0 DDABMO O=C1CO[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2N1Cc1ccccc1 ZINC000067897086 407289255 /nfs/dbraw/zinc/28/92/55/407289255.db2.gz VNPWLNITOOYEJQ-MSOLQXFVSA-N 1 1 323.396 1.693 40 0 biogenic,in-vitro DDABMO O=C1CO[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]2N1Cc1ccccc1 ZINC000067897086 407289257 /nfs/dbraw/zinc/28/92/57/407289257.db2.gz VNPWLNITOOYEJQ-MSOLQXFVSA-N 1 1 323.396 1.693 40 0 biogenic,in-vitro DDABMO COCCNC(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1cncn1C)C2 ZINC000108535368 407387693 /nfs/dbraw/zinc/38/76/93/407387693.db2.gz VRUSZLGBSSXDCS-DOTOQJQBSA-N 1 1 320.437 1.175 40 0 DDABMO CC[N@@H+](Cc1cccnc1)C[C@@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257235165 407509678 /nfs/dbraw/zinc/50/96/78/407509678.db2.gz GWSHINGKKWXNIK-MRXNPFEDSA-N 1 1 314.393 1.252 40 0 DDABMO CCc1nnsc1C(=O)N[C@@H]1CC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257220601 407499942 /nfs/dbraw/zinc/49/99/42/407499942.db2.gz DLIYZPSMVVGLEW-IJLUTSLNSA-N 1 1 321.406 1.100 40 0 DDABMO COc1ccc(CN2CC[N@@H+](C)C[C@@H](C(=O)N(C)C)C2)c(F)c1 ZINC000257217491 407500998 /nfs/dbraw/zinc/50/09/98/407500998.db2.gz CZFAMXBNJZWSEL-CQSZACIVSA-N 1 1 323.412 1.286 40 0 DDABMO Cc1ncoc1C(=O)N1CCC[C@@H]1c1cncc(C[NH+](C)C)n1 ZINC000257231766 407505913 /nfs/dbraw/zinc/50/59/13/407505913.db2.gz GICNWTNAQBWJQG-CQSZACIVSA-N 1 1 315.377 1.812 40 0 DDABMO Cc1nccc(C[C@H]2COCC[N@@H+](CC3(O)CCCCC3)C2)n1 ZINC000257238896 407512284 /nfs/dbraw/zinc/51/22/84/407512284.db2.gz HMZQNGRWTGFGSG-MRXNPFEDSA-N 1 1 319.449 1.971 40 0 DDABMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2cncn2C)nc1 ZINC000257240508 407514144 /nfs/dbraw/zinc/51/41/44/407514144.db2.gz HTUQOKDGKOZLNX-KRWDZBQOSA-N 1 1 313.405 1.788 40 0 DDABMO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2cncn2C)nc1 ZINC000257240508 407514151 /nfs/dbraw/zinc/51/41/51/407514151.db2.gz HTUQOKDGKOZLNX-KRWDZBQOSA-N 1 1 313.405 1.788 40 0 DDABMO COC[C@H]1CC[N@@H+](C)C2(CN(Cc3cccnc3OC)C2)C1 ZINC000248135001 408537328 /nfs/dbraw/zinc/53/73/28/408537328.db2.gz OFWGCWBGSPVHBH-AWEZNQCLSA-N 1 1 305.422 1.633 40 0 DDABMO COC[C@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000096188895 277268157 /nfs/dbraw/zinc/26/81/57/277268157.db2.gz KUKGFPONMBXHQE-CQSZACIVSA-N 1 1 315.373 1.890 40 0 DDABMO COC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000096188895 277268158 /nfs/dbraw/zinc/26/81/58/277268158.db2.gz KUKGFPONMBXHQE-CQSZACIVSA-N 1 1 315.373 1.890 40 0 DDABMO Cc1noc([C@@H]2C[C@H]3OCC[C@H]3[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000097953408 332203359 /nfs/dbraw/zinc/20/33/59/332203359.db2.gz IPODHJLXPWESLZ-MGPQQGTHSA-N 1 1 303.366 1.259 40 0 DDABMO Cc1noc([C@@H]2C[C@H]3OCC[C@H]3[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000097953408 332203360 /nfs/dbraw/zinc/20/33/60/332203360.db2.gz IPODHJLXPWESLZ-MGPQQGTHSA-N 1 1 303.366 1.259 40 0 DDABMO c1cnc(N[C@H]2CO[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)nc1 ZINC000107728897 185490692 /nfs/dbraw/zinc/49/06/92/185490692.db2.gz MBSBCQFCOBOGPW-NVXWUHKLSA-N 1 1 311.389 1.717 40 0 DDABMO Cc1ccc(C(=O)N2CCN3[C@@H](C2)C[N@H+](C)CC3(C)C)cc1 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1.479 40 0 DDABMO O[C@]1(COc2cc(F)cc(F)c2)COCC[N@H+](C2CCC2)C1 ZINC000585283730 354823212 /nfs/dbraw/zinc/82/32/12/354823212.db2.gz UCZCJELLRINRLI-INIZCTEOSA-N 1 1 313.344 1.959 40 0 DDABMO NC(=O)C[N@H+]1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1 ZINC000257317250 283287695 /nfs/dbraw/zinc/28/76/95/283287695.db2.gz VIYSPDYCVPSRCE-HZPDHXFCSA-N 1 1 315.417 1.631 40 0 DDABMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000005999288 181304709 /nfs/dbraw/zinc/30/47/09/181304709.db2.gz OKKNYWUBFZJGGO-RCCFBDPRSA-N 1 1 324.424 1.871 40 0 DDABMO CCc1[nH+]ccn1CCC(=O)N1CCOC[C@H]1c1cc[nH]n1 ZINC000257310197 203033940 /nfs/dbraw/zinc/03/39/40/203033940.db2.gz UECAAXAFCWTUCR-ZDUSSCGKSA-N 1 1 303.366 1.159 40 0 DDABMO OC1(C[N@@H+]2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)CCOCC1 ZINC000257293853 203018327 /nfs/dbraw/zinc/01/83/27/203018327.db2.gz QRMDAIONHRFZFW-HYVNUMGLSA-N 1 1 318.417 1.712 40 0 DDABMO CC(=O)N1[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C[C@@H]2C[C@]1(C)CO ZINC000257293839 203019444 /nfs/dbraw/zinc/01/94/44/203019444.db2.gz QRKDIEDCXNSJTE-RRQGHBQHSA-N 1 1 321.396 1.414 40 0 DDABMO COCC[N@H+]1CC[C@H](Cc2cncc(-c3cnn(C)c3)n2)C1 ZINC000257316841 203041350 /nfs/dbraw/zinc/04/13/50/203041350.db2.gz VHGHQCNTSBYUIM-CYBMUJFWSA-N 1 1 301.394 1.388 40 0 DDABMO COCC[N@H+]1CCC[C@@H](Cc2cnc(-c3ccnn3C)cn2)C1 ZINC000257316071 203041718 /nfs/dbraw/zinc/04/17/18/203041718.db2.gz VDZLSHSLMPRKQG-AWEZNQCLSA-N 1 1 315.421 1.778 40 0 DDABMO CCc1[nH+]ccn1CC(=O)N1CCO[C@H](c2nc(C)cn2C)C1 ZINC000257335328 203058775 /nfs/dbraw/zinc/05/87/75/203058775.db2.gz YJRZSHAIGXQTRY-ZDUSSCGKSA-N 1 1 317.393 1.088 40 0 DDABMO COc1ncc(C2(O)CC[NH+](Cc3ccco3)CC2)c(OC)n1 ZINC000019594852 182133163 /nfs/dbraw/zinc/13/31/63/182133163.db2.gz IIDNHXLNJJCRAW-UHFFFAOYSA-N 1 1 319.361 1.570 40 0 DDABMO O=C1CCCN1C[C@@H]1Cn2nccc2C[N@H+](C2CCCC2)C1 ZINC000248008317 296319705 /nfs/dbraw/zinc/31/97/05/296319705.db2.gz UVUKUGIFZNLOKG-AWEZNQCLSA-N 1 1 302.422 1.880 40 0 DDABMO COc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000072227554 257122814 /nfs/dbraw/zinc/12/28/14/257122814.db2.gz GJEKQFHJPBJSFV-JKSUJKDBSA-N 1 1 312.325 1.839 40 0 DDABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)CC1 ZINC000035442898 406972972 /nfs/dbraw/zinc/97/29/72/406972972.db2.gz JQIMSSZSMACZBW-ZDUSSCGKSA-N 1 1 313.405 1.758 40 0 biogenic,in-vitro DDABMO CN(C(=O)c1ccc(Cl)cc1)C(=S)N1CC[NH+](C)CC1 ZINC000031852173 406943609 /nfs/dbraw/zinc/94/36/09/406943609.db2.gz WCBMSMFDYLKMFF-UHFFFAOYSA-N 1 1 311.838 1.944 40 0 DDABMO CC(C)C[N@H+]1CCNC(=O)C12CCN(C(=O)c1ccco1)CC2 ZINC000096230175 407253701 /nfs/dbraw/zinc/25/37/01/407253701.db2.gz GCOJCUGSFJGFER-UHFFFAOYSA-N 1 1 319.405 1.342 40 0 DDABMO Cc1ccc(CN2CCC3(CC2)C(=O)NCC[N@H+]3CC2CC2)o1 ZINC000096230189 407253710 /nfs/dbraw/zinc/25/37/10/407253710.db2.gz OYCUNXQLKJMDOM-UHFFFAOYSA-N 1 1 317.433 1.764 40 0 DDABMO Cc1ccc(CN2CCC3(CC2)C(=O)NCC[N@@H+]3CC2CC2)o1 ZINC000096230189 407253711 /nfs/dbraw/zinc/25/37/11/407253711.db2.gz OYCUNXQLKJMDOM-UHFFFAOYSA-N 1 1 317.433 1.764 40 0 DDABMO CC(=O)N1CCOC[C@]2(C[N@H+](Cc3ccc(C)s3)CCO2)C1 ZINC000096229526 407253754 /nfs/dbraw/zinc/25/37/54/407253754.db2.gz LWEQSRMSWVRERX-INIZCTEOSA-N 1 1 324.446 1.506 40 0 DDABMO CC(=O)N1CCOC[C@]2(C[N@@H+](Cc3ccc(C)s3)CCO2)C1 ZINC000096229526 407253755 /nfs/dbraw/zinc/25/37/55/407253755.db2.gz LWEQSRMSWVRERX-INIZCTEOSA-N 1 1 324.446 1.506 40 0 DDABMO CCN1CC[N@H+](C)C2(CCN(C(=O)C3CC=CC3)CC2)C1=O ZINC000096230046 407254025 /nfs/dbraw/zinc/25/40/25/407254025.db2.gz JWZDJIABJPUUCE-UHFFFAOYSA-N 1 1 305.422 1.108 40 0 DDABMO CCN1CC[N@@H+](C)C2(CCN(C(=O)C3CC=CC3)CC2)C1=O ZINC000096230046 407254027 /nfs/dbraw/zinc/25/40/27/407254027.db2.gz JWZDJIABJPUUCE-UHFFFAOYSA-N 1 1 305.422 1.108 40 0 DDABMO CNC(=O)c1cc2c(nc1N(C)C)CC[N@@H+](CCC(C)C)CC2 ZINC000096260322 407258003 /nfs/dbraw/zinc/25/80/03/407258003.db2.gz PMXSKBLJLZKHAV-UHFFFAOYSA-N 1 1 318.465 1.954 40 0 DDABMO 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COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](C(C)C)C2 ZINC000096111944 407238796 /nfs/dbraw/zinc/23/87/96/407238796.db2.gz BSHMBUICKMMHPB-ZFWWWQNUSA-N 1 1 304.390 1.910 40 0 biogenic,in-vitro DDABMO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](C(C)C)C2 ZINC000096111944 407238798 /nfs/dbraw/zinc/23/87/98/407238798.db2.gz BSHMBUICKMMHPB-ZFWWWQNUSA-N 1 1 304.390 1.910 40 0 biogenic,in-vitro DDABMO CNC(=O)[C@H]1C[C@@H]2CN(Cc3ccncc3)C[C@@H]2[N@H+]1C(C)C ZINC000096182644 407243240 /nfs/dbraw/zinc/24/32/40/407243240.db2.gz DWSYJIUNOZTLKU-OAGGEKHMSA-N 1 1 302.422 1.111 40 0 DDABMO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2N1C(C)C ZINC000096182644 407243241 /nfs/dbraw/zinc/24/32/41/407243241.db2.gz DWSYJIUNOZTLKU-OAGGEKHMSA-N 1 1 302.422 1.111 40 0 DDABMO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2N1C(C)C ZINC000096182644 407243244 /nfs/dbraw/zinc/24/32/44/407243244.db2.gz DWSYJIUNOZTLKU-OAGGEKHMSA-N 1 1 302.422 1.111 40 0 DDABMO c1cc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)ccn1 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312.377 1.896 40 0 DDABMO Cn1cc(C[N@H+]2CCCC[C@@H]2c2cc(=O)n3cc[nH]c3n2)cn1 ZINC000257201450 407491267 /nfs/dbraw/zinc/49/12/67/407491267.db2.gz AHTOUWHLZHQOLD-CQSZACIVSA-N 1 1 312.377 1.896 40 0 DDABMO CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@]1([NH3+])COC ZINC000218511630 407518458 /nfs/dbraw/zinc/51/84/58/407518458.db2.gz ILLLMTZITQXMCB-UPJWGTAASA-N 1 1 303.811 1.584 40 0 DDABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)CC ZINC000218531227 407521376 /nfs/dbraw/zinc/52/13/76/407521376.db2.gz OZRFEMVEMOUZPJ-IHRRRGAJSA-N 1 1 317.838 1.975 40 0 DDABMO Cc1cnc([C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)s1 ZINC000257267679 407529890 /nfs/dbraw/zinc/52/98/90/407529890.db2.gz MIHZEAGUBCHFPP-CQSZACIVSA-N 1 1 323.462 1.880 40 0 DDABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@H]32)o1 ZINC000248098542 408534896 /nfs/dbraw/zinc/53/48/96/408534896.db2.gz NFBMBQQFMJIPPX-FVQBIDKESA-N 1 1 302.378 1.859 40 0 DDABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@H]32)o1 ZINC000248098542 408534903 /nfs/dbraw/zinc/53/49/03/408534903.db2.gz NFBMBQQFMJIPPX-FVQBIDKESA-N 1 1 302.378 1.859 40 0 DDABMO CC(=O)N1C[C@H]2c3nc(N(C)C)ncc3C[N@H+](CC3CC3)[C@@H]2C1 ZINC000306123324 409771692 /nfs/dbraw/zinc/77/16/92/409771692.db2.gz AKCHKVVHSBKJNA-HUUCEWRRSA-N 1 1 315.421 1.083 40 0 DDABMO CC(=O)N1C[C@H]2c3nc(N(C)C)ncc3C[N@@H+](CC3CC3)[C@@H]2C1 ZINC000306123324 409771697 /nfs/dbraw/zinc/77/16/97/409771697.db2.gz AKCHKVVHSBKJNA-HUUCEWRRSA-N 1 1 315.421 1.083 40 0 DDABMO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]2CCCO[C@H]12 ZINC000096040640 277195938 /nfs/dbraw/zinc/19/59/38/277195938.db2.gz QGVBEFCZWGBKKI-LZWOXQAQSA-N 1 1 324.446 1.490 40 0 DDABMO COCCN1CC[N@H+](C2CCOCC2)Cc2ccc(C)nc21 ZINC000096199044 277224934 /nfs/dbraw/zinc/22/49/34/277224934.db2.gz ZRUAZCJAHXQLBI-UHFFFAOYSA-N 1 1 305.422 1.837 40 0 DDABMO CN(C(=O)OC(C)(C)C)C1CN([C@H](C(=[NH2+])NO)c2ccco2)C1 ZINC000409441034 545662477 /nfs/dbraw/zinc/66/24/77/545662477.db2.gz NOLRJGVZDSQAIY-LBPRGKRZSA-N 1 1 324.381 1.828 40 0 DDABMO NCC(=O)N(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000079404333 185169713 /nfs/dbraw/zinc/16/97/13/185169713.db2.gz SUPNLPDNTQRDGO-KRWDZBQOSA-N 1 1 301.434 1.991 40 0 DDABMO NCC(=O)N(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000079404333 185169714 /nfs/dbraw/zinc/16/97/14/185169714.db2.gz SUPNLPDNTQRDGO-KRWDZBQOSA-N 1 1 301.434 1.991 40 0 DDABMO CN(C)C(=O)NCC[C@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21 ZINC000306126878 231085434 /nfs/dbraw/zinc/08/54/34/231085434.db2.gz FHVOFIXNPQSVDO-AWEZNQCLSA-N 1 1 321.425 1.080 40 0 DDABMO CN(C)C(=O)NCC[C@H]1C[N@H+](C2CCOCC2)Cc2ccnn21 ZINC000306126878 231085437 /nfs/dbraw/zinc/08/54/37/231085437.db2.gz FHVOFIXNPQSVDO-AWEZNQCLSA-N 1 1 321.425 1.080 40 0 DDABMO CC[N@H+](CCN)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391782 185168363 /nfs/dbraw/zinc/16/83/63/185168363.db2.gz HOUUTKDFFHGREV-MRXNPFEDSA-N 1 1 305.422 1.926 40 0 DDABMO CC[N@@H+](CCN)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391782 185168364 /nfs/dbraw/zinc/16/83/64/185168364.db2.gz HOUUTKDFFHGREV-MRXNPFEDSA-N 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CCOC[C@H]1C[N@@H+](CC2CC2)C2(CN(C(=O)C3CC(O)C3)C2)C1 ZINC000585093957 354803699 /nfs/dbraw/zinc/80/36/99/354803699.db2.gz SMIJFIGIOQZTMB-QQFBHYJXSA-N 1 1 322.449 1.107 40 0 DDABMO CO[C@@H]1CC[N@@H+](CCCOc2ccccc2F)C[C@H]1CC(N)=O ZINC000585276825 354820199 /nfs/dbraw/zinc/82/01/99/354820199.db2.gz RAGDOUULIKSUOQ-UKRRQHHQSA-N 1 1 324.396 1.807 40 0 DDABMO COc1cccc(C[N@@H+](C)[C@@H]2COC[C@@H](OC)[C@H]2OC)c1F ZINC000585290417 354824840 /nfs/dbraw/zinc/82/48/40/354824840.db2.gz BZTWQVQHDWOOMC-XPKDYRNWSA-N 1 1 313.369 1.695 40 0 DDABMO COc1cccc(C[N@H+](C)[C@@H]2COC[C@@H](OC)[C@H]2OC)c1F ZINC000585290417 354824843 /nfs/dbraw/zinc/82/48/43/354824843.db2.gz BZTWQVQHDWOOMC-XPKDYRNWSA-N 1 1 313.369 1.695 40 0 DDABMO Cc1n[nH]cc1C[N@H+]1C[C@H](c2ccccc2C)[C@@H](O)[C@H]1CO ZINC000585294036 354826648 /nfs/dbraw/zinc/82/66/48/354826648.db2.gz DAENUSKYPZNGDF-BRWVUGGUSA-N 1 1 301.390 1.348 40 0 DDABMO CC(C)[N@H+]1C[C@@H]2COCCN2C2(CN(C(=O)C(C)(C)C)C2)C1 ZINC000604381034 359744727 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CC[NH+]1CCN(C(=O)CSc2ccc(OC)c(OC)c2)CC1 ZINC000022515114 182324396 /nfs/dbraw/zinc/32/43/96/182324396.db2.gz CWKBGLWLUUYXKX-UHFFFAOYSA-N 1 1 324.446 1.960 40 0 DDABMO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](C3CCOCC3)C[C@H]21 ZINC000514289376 257216779 /nfs/dbraw/zinc/21/67/79/257216779.db2.gz JFSJMRCZEVSNIS-ZBFHGGJFSA-N 1 1 302.374 1.383 40 0 biogenic,in-vitro DDABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3C)n2)c1 ZINC000035425068 406972084 /nfs/dbraw/zinc/97/20/84/406972084.db2.gz FXZSTTZAKOEKHI-ZDUSSCGKSA-N 1 1 304.350 1.924 40 0 biogenic,in-vitro DDABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3C)n2)c1 ZINC000035425068 406972085 /nfs/dbraw/zinc/97/20/85/406972085.db2.gz FXZSTTZAKOEKHI-ZDUSSCGKSA-N 1 1 304.350 1.924 40 0 biogenic,in-vitro DDABMO COC[C@@H]1CCC2(CCN(C(=O)Cc3ccco3)CC2)[N@H+]1C ZINC000096209537 407251318 /nfs/dbraw/zinc/25/13/18/407251318.db2.gz QINGWAVKFBAMBE-AWEZNQCLSA-N 1 1 306.406 1.924 40 0 DDABMO Cc1ccc(OC[C@H]2CO[C@@H]3C[N@H+](Cc4c[nH]cn4)C[C@H]23)cn1 ZINC000096220387 407253323 /nfs/dbraw/zinc/25/33/23/407253323.db2.gz BQXJBHZXMGMTCW-IAOVAPTHSA-N 1 1 314.389 1.639 40 0 DDABMO Cc1ccc(OC[C@H]2CO[C@@H]3C[N@@H+](Cc4c[nH]cn4)C[C@H]23)cn1 ZINC000096220387 407253326 /nfs/dbraw/zinc/25/33/26/407253326.db2.gz BQXJBHZXMGMTCW-IAOVAPTHSA-N 1 1 314.389 1.639 40 0 DDABMO Cc1oncc1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccn1 ZINC000096038572 407224543 /nfs/dbraw/zinc/22/45/43/407224543.db2.gz OYKINQLXDCGYQC-HOTGVXAUSA-N 1 1 312.373 1.867 40 0 DDABMO Cc1oncc1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccn1 ZINC000096038572 407224545 /nfs/dbraw/zinc/22/45/45/407224545.db2.gz OYKINQLXDCGYQC-HOTGVXAUSA-N 1 1 312.373 1.867 40 0 DDABMO O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CC[N@@H+](CC1CCC1)C2 ZINC000096038721 407224818 /nfs/dbraw/zinc/22/48/18/407224818.db2.gz UPPKGTIUEIBJDB-NVXWUHKLSA-N 1 1 308.422 1.126 40 0 DDABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2C[C@@H](C(=O)NC(C)C)O[C@H]2C1 ZINC000096040963 407225347 /nfs/dbraw/zinc/22/53/47/407225347.db2.gz RTRSCBPDOGXPNO-BPUTZDHNSA-N 1 1 321.421 1.795 40 0 DDABMO Cc1noc(C)c1C[N@@H+]1CC[C@H]2C[C@@H](C(=O)NC(C)C)O[C@H]2C1 ZINC000096040963 407225348 /nfs/dbraw/zinc/22/53/48/407225348.db2.gz RTRSCBPDOGXPNO-BPUTZDHNSA-N 1 1 321.421 1.795 40 0 DDABMO CC(C)[N@H+]1CCOC[C@]2(CN(C(=O)c3cccs3)CCO2)C1 ZINC000096049755 407228607 /nfs/dbraw/zinc/22/86/07/407228607.db2.gz BJPHSNHGFWCFGX-MRXNPFEDSA-N 1 1 324.446 1.700 40 0 DDABMO Cc1ccc(CN2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)s1 ZINC000096054298 407229894 /nfs/dbraw/zinc/22/98/94/407229894.db2.gz AUNPDQLVULHEMD-CVEARBPZSA-N 1 1 309.479 1.503 40 0 DDABMO c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C[C@@H]2CCCO2)nc1 ZINC000096054346 407230084 /nfs/dbraw/zinc/23/00/84/407230084.db2.gz AWSNCMOQEFYRPS-BBWFWOEESA-N 1 1 303.406 1.146 40 0 DDABMO c1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C[C@@H]2CCCO2)nc1 ZINC000096054346 407230086 /nfs/dbraw/zinc/23/00/86/407230086.db2.gz AWSNCMOQEFYRPS-BBWFWOEESA-N 1 1 303.406 1.146 40 0 DDABMO O=C(c1ccncc1)N1C[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC000096081440 407235406 /nfs/dbraw/zinc/23/54/06/407235406.db2.gz GGLXRTBVRJVCHS-GVDBMIGSSA-N 1 1 315.417 1.655 40 0 DDABMO Cc1nc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)N(C)C)C2)cs1 ZINC000096100501 407236585 /nfs/dbraw/zinc/23/65/85/407236585.db2.gz KFWBJISNVDMVLJ-UKRRQHHQSA-N 1 1 309.435 1.521 40 0 DDABMO C[N@H+]1CCO[C@@H]2CN(C(=O)CC3Cc4ccccc4C3)C[C@@H]2C1 ZINC000096107950 407237353 /nfs/dbraw/zinc/23/73/53/407237353.db2.gz CWGRILPVXSRLOM-ZWKOTPCHSA-N 1 1 314.429 1.581 40 0 DDABMO Cc1cnc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC000096161660 407242276 /nfs/dbraw/zinc/24/22/76/407242276.db2.gz IJJBHIHMLFSLJX-BETUJISGSA-N 1 1 301.419 1.810 40 0 DDABMO Cc1cnc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC000096161660 407242279 /nfs/dbraw/zinc/24/22/79/407242279.db2.gz IJJBHIHMLFSLJX-BETUJISGSA-N 1 1 301.419 1.810 40 0 DDABMO O=C(c1ccnnc1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC000096161675 407242749 /nfs/dbraw/zinc/24/27/49/407242749.db2.gz KCOBOJGVVMUZAE-BETUJISGSA-N 1 1 315.402 1.137 40 0 DDABMO O=C(c1ccnnc1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC000096161675 407242751 /nfs/dbraw/zinc/24/27/51/407242751.db2.gz KCOBOJGVVMUZAE-BETUJISGSA-N 1 1 315.402 1.137 40 0 DDABMO O=C(N[C@@H]1C[N@H+](Cc2cccs2)[C@@H]2COC[C@H]12)C1CCC1 ZINC000096185127 407244359 /nfs/dbraw/zinc/24/43/59/407244359.db2.gz YMULDTSDOOEFNM-RBSFLKMASA-N 1 1 306.431 1.864 40 0 DDABMO O=C(N[C@@H]1C[N@@H+](Cc2cccs2)[C@@H]2COC[C@H]12)C1CCC1 ZINC000096185127 407244361 /nfs/dbraw/zinc/24/43/61/407244361.db2.gz YMULDTSDOOEFNM-RBSFLKMASA-N 1 1 306.431 1.864 40 0 DDABMO Cc1cnc(CNC(=O)[C@H]2C[C@H]3[C@H](CC[N@@H+]3C(C)C)O2)cn1 ZINC000096183733 407244799 /nfs/dbraw/zinc/24/47/99/407244799.db2.gz WNEVTXNQVGQYGS-SOUVJXGZSA-N 1 1 304.394 1.041 40 0 DDABMO Cn1cc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)cn1 ZINC000096187091 407246115 /nfs/dbraw/zinc/24/61/15/407246115.db2.gz JTJJHFDDGVHJOW-IKGGRYGDSA-N 1 1 314.389 1.626 40 0 DDABMO Cn1cc(C[N@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)cn1 ZINC000096187091 407246117 /nfs/dbraw/zinc/24/61/17/407246117.db2.gz JTJJHFDDGVHJOW-IKGGRYGDSA-N 1 1 314.389 1.626 40 0 DDABMO C[C@@H]1C[N@@H+](Cc2ccoc2)C[C@]12CCN(CC(=O)N(C)C)C2=O ZINC000096201698 407248428 /nfs/dbraw/zinc/24/84/28/407248428.db2.gz DGVIDACAVHHYHE-CXAGYDPISA-N 1 1 319.405 1.038 40 0 DDABMO O=C(C[C@H]1C[C@H]2C[N@H+](C3CCOCC3)C[C@H]2O1)N1CCCCO1 ZINC000096215271 407250586 /nfs/dbraw/zinc/25/05/86/407250586.db2.gz XMPJFZLELZVHCY-NUEKZKHPSA-N 1 1 324.421 1.199 40 0 DDABMO CNC(=O)[C@@H]1CN(CC2=Cc3ccccc3OC2)CC[N@@H+](C)C1 ZINC000257236664 407509718 /nfs/dbraw/zinc/50/97/18/407509718.db2.gz HDDJYJKGQPQFQZ-INIZCTEOSA-N 1 1 315.417 1.072 40 0 DDABMO CNC(=O)[C@H]1CN(C)CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000257236664 407509724 /nfs/dbraw/zinc/50/97/24/407509724.db2.gz HDDJYJKGQPQFQZ-INIZCTEOSA-N 1 1 315.417 1.072 40 0 DDABMO CNC(=O)[C@H]1CN(C)CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000257236664 407509727 /nfs/dbraw/zinc/50/97/27/407509727.db2.gz HDDJYJKGQPQFQZ-INIZCTEOSA-N 1 1 315.417 1.072 40 0 DDABMO COc1ccc(CCC(=O)NCCC[NH+]2CCOCC2)cc1C ZINC000224837377 407578664 /nfs/dbraw/zinc/57/86/64/407578664.db2.gz YVDMOWKUWWFQAM-UHFFFAOYSA-N 1 1 320.433 1.775 40 0 DDABMO CCOC[C@]1([NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218482806 407518446 /nfs/dbraw/zinc/51/84/46/407518446.db2.gz YXKGGIUSXMSLIH-AGIUHOORSA-N 1 1 303.811 1.584 40 0 DDABMO Cc1cncc([C@H]2CCC[N@H+]2C2CCN(S(C)(=O)=O)CC2)n1 ZINC000257263310 407525655 /nfs/dbraw/zinc/52/56/55/407525655.db2.gz LPGKBBJLEMPTKS-OAHLLOKOSA-N 1 1 324.450 1.346 40 0 DDABMO CN(C)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000257266944 407526599 /nfs/dbraw/zinc/52/65/99/407526599.db2.gz MFFXMXQMWPSFRI-MAUKXSAKSA-N 1 1 315.417 1.213 40 0 DDABMO CS(=O)(=O)NCC[C@@H]1C[N@@H+](C2CCCC2)Cc2cncn21 ZINC000247510789 408484867 /nfs/dbraw/zinc/48/48/67/408484867.db2.gz IJILFHUEUJNLEQ-CYBMUJFWSA-N 1 1 312.439 1.122 40 0 DDABMO CS(=O)(=O)NCC[C@@H]1C[N@H+](C2CCCC2)Cc2cncn21 ZINC000247510789 408484873 /nfs/dbraw/zinc/48/48/73/408484873.db2.gz IJILFHUEUJNLEQ-CYBMUJFWSA-N 1 1 312.439 1.122 40 0 DDABMO COCC(=O)NCC[C@@H]1C[N@H+](C2CCCC2)Cc2ccnn21 ZINC000247824602 408510824 /nfs/dbraw/zinc/51/08/24/408510824.db2.gz JBSLYMXDULGAEP-CQSZACIVSA-N 1 1 306.410 1.335 40 0 DDABMO C[C@@H]1[NH2+]CCn2cc(CC(=O)NCCc3cccs3)nc21 ZINC000247961905 408518695 /nfs/dbraw/zinc/51/86/95/408518695.db2.gz OSQXDBRYEIHRLB-NSHDSACASA-N 1 1 304.419 1.510 40 0 DDABMO CC(C)[N@H+]1Cc2ccnn2[C@H](C(=O)NCC2CCOCC2)C1 ZINC000248023001 408527391 /nfs/dbraw/zinc/52/73/91/408527391.db2.gz VGDSNBBGWRUTAQ-HNNXBMFYSA-N 1 1 306.410 1.191 40 0 DDABMO CC(C)[N@@H+]1Cc2ccnn2[C@H](C(=O)NCC2CCOCC2)C1 ZINC000248023001 408527399 /nfs/dbraw/zinc/52/73/99/408527399.db2.gz VGDSNBBGWRUTAQ-HNNXBMFYSA-N 1 1 306.410 1.191 40 0 DDABMO C[C@H](NC(=O)CN1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000022816739 278236129 /nfs/dbraw/zinc/23/61/29/278236129.db2.gz AZYHOSTXORKESL-ISOUWHGUSA-N 1 1 319.493 1.955 40 0 DDABMO Cc1ncsc1C[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)NC2CC2)C1 ZINC000097953355 332203427 /nfs/dbraw/zinc/20/34/27/332203427.db2.gz XYEHFCLTSUNXGO-GDBMZVCRSA-N 1 1 321.446 1.711 40 0 DDABMO C[N@H+]1CCC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000082315217 185175526 /nfs/dbraw/zinc/17/55/26/185175526.db2.gz DJKZJBBWCZZYBH-AWEZNQCLSA-N 1 1 305.397 1.816 40 0 DDABMO Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1c1ccn2ccnc2n1 ZINC000257282572 282201508 /nfs/dbraw/zinc/20/15/08/282201508.db2.gz OUIKZISBKAZMRX-HNNXBMFYSA-N 1 1 324.388 1.988 40 0 DDABMO OCC[N@H+]1CCC[C@H](c2cnc(Nc3ncccn3)cn2)C1 ZINC000072361630 191131824 /nfs/dbraw/zinc/13/18/24/191131824.db2.gz WSEATPCVDKQPQY-LBPRGKRZSA-N 1 1 300.366 1.182 40 0 DDABMO NC(=O)C[N@@H+]1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072367820 191137349 /nfs/dbraw/zinc/13/73/49/191137349.db2.gz QTNRMLNUERHXPN-LBPRGKRZSA-N 1 1 314.364 1.947 40 0 DDABMO NC(=O)C[N@H+]1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072367820 191137352 /nfs/dbraw/zinc/13/73/52/191137352.db2.gz QTNRMLNUERHXPN-LBPRGKRZSA-N 1 1 314.364 1.947 40 0 DDABMO Cc1nc(C2CCN(C(=O)[C@]3(C)CCCC[N@@H+]3C)CC2)no1 ZINC000072367304 191137526 /nfs/dbraw/zinc/13/75/26/191137526.db2.gz ZXWFAWTXDUVHFI-INIZCTEOSA-N 1 1 306.410 1.958 40 0 DDABMO CN(C)c1cc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)ccn1 ZINC000072369432 191140042 /nfs/dbraw/zinc/14/00/42/191140042.db2.gz IKBNHJAROXDXRM-MRXNPFEDSA-N 1 1 316.449 1.949 40 0 DDABMO CC(C)[N@H+]1Cc2ccnn2[C@H](CCNC(=O)N2CCCC2)C1 ZINC000585111786 354810428 /nfs/dbraw/zinc/81/04/28/354810428.db2.gz BSQWUYNZYRPPHB-CQSZACIVSA-N 1 1 305.426 1.844 40 0 DDABMO CC(C)[N@@H+]1Cc2ccnn2[C@H](CCNC(=O)N2CCCC2)C1 ZINC000585111786 354810431 /nfs/dbraw/zinc/81/04/31/354810431.db2.gz BSQWUYNZYRPPHB-CQSZACIVSA-N 1 1 305.426 1.844 40 0 DDABMO CNC(=O)C[C@]1(COC)CCC[N@H+]1Cc1ccc(OC)c(F)c1 ZINC000585279085 354822121 /nfs/dbraw/zinc/82/21/21/354822121.db2.gz SQKZNABURUDVNI-KRWDZBQOSA-N 1 1 324.396 1.951 40 0 DDABMO O[C@H]1CC[N@H+](C2CCC2)C[C@]1(O)COc1cc(F)ccc1F ZINC000585284315 354823412 /nfs/dbraw/zinc/82/34/12/354823412.db2.gz WYIFWXNEOQEJFO-HOTGVXAUSA-N 1 1 313.344 1.694 40 0 DDABMO CC(=O)NCc1ccnc([C@@H]2CCC[N@H+]2CC2CCOCC2)n1 ZINC000257327417 203051161 /nfs/dbraw/zinc/05/11/61/203051161.db2.gz XBGDLMFUORORNB-INIZCTEOSA-N 1 1 318.421 1.676 40 0 DDABMO COCC[N@H+]1CCC[C@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 ZINC000257343045 203064751 /nfs/dbraw/zinc/06/47/51/203064751.db2.gz ZRFZLDLJQLUZHZ-CYBMUJFWSA-N 1 1 301.394 1.768 40 0 DDABMO O=C1CCCC[C@H]2[C@@H](C[C@@H](Cc3ccccc3)[N@@H+]2CCO)N1 ZINC000257342035 203065710 /nfs/dbraw/zinc/06/57/10/203065710.db2.gz ZMUWEEPXAMGIOS-ZACQAIPSSA-N 1 1 302.418 1.723 40 0 DDABMO O=C(COc1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1)N1CCCC1 ZINC000013995813 181917812 /nfs/dbraw/zinc/91/78/12/181917812.db2.gz OSUQPRVBAKUAML-MRXNPFEDSA-N 1 1 318.417 1.502 40 0 DDABMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cccnc3)cc2)CC1 ZINC000056290824 184009349 /nfs/dbraw/zinc/00/93/49/184009349.db2.gz PJZZYZSCBZXNLK-UHFFFAOYSA-N 1 1 324.384 1.722 40 0 DDABMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCOCC3)C2)cc1 ZINC000021987935 406889152 /nfs/dbraw/zinc/88/91/52/406889152.db2.gz OJNCSMJSOIQRSJ-UHFFFAOYSA-N 1 1 310.401 1.872 40 0 DDABMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCOCC3)C2)cc1 ZINC000021987935 406889154 /nfs/dbraw/zinc/88/91/54/406889154.db2.gz OJNCSMJSOIQRSJ-UHFFFAOYSA-N 1 1 310.401 1.872 40 0 DDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(F)c1 ZINC000078701476 407042393 /nfs/dbraw/zinc/04/23/93/407042393.db2.gz YSZKQPXVGXTUGO-CYBMUJFWSA-N 1 1 307.369 1.673 40 0 DDABMO Cc1cccc(O[C@H]2COCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000085435947 407101367 /nfs/dbraw/zinc/10/13/67/407101367.db2.gz QJHIOUVXQNTJOZ-OAHLLOKOSA-N 1 1 302.378 1.403 40 0 biogenic,in-vitro DDABMO Cc1cccc(O[C@H]2COCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000085435947 407101370 /nfs/dbraw/zinc/10/13/70/407101370.db2.gz QJHIOUVXQNTJOZ-OAHLLOKOSA-N 1 1 302.378 1.403 40 0 biogenic,in-vitro DDABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)CC1CC1)C2 ZINC000096219248 407251720 /nfs/dbraw/zinc/25/17/20/407251720.db2.gz PWPOFUFFHIILOD-FUHWJXTLSA-N 1 1 306.450 1.993 40 0 DDABMO CC(C)C[N@H+]1C[C@H]2C[C@H](C(=O)NCc3cccnc3)[C@@H](C1)O2 ZINC000096253311 407257367 /nfs/dbraw/zinc/25/73/67/407257367.db2.gz CEFQRSJFTNYCGW-OWCLPIDISA-N 1 1 303.406 1.443 40 0 DDABMO Cc1cccc(C[N@@H+]2CCc3nnc(CN(C)C)n3CC2)n1 ZINC000096259864 407257757 /nfs/dbraw/zinc/25/77/57/407257757.db2.gz CXDUUMMPDGFDKZ-UHFFFAOYSA-N 1 1 300.410 1.101 40 0 DDABMO O=C1CCCN1Cc1nnc2n1CC[N@H+](Cc1ccco1)CC2 ZINC000096259867 407258059 /nfs/dbraw/zinc/25/80/59/407258059.db2.gz JHYSQZKAZBTUCG-UHFFFAOYSA-N 1 1 315.377 1.052 40 0 DDABMO C[NH+](C)C[C@@H]1CO[C@@]2(C1)COCCN(Cc1ccc(F)cc1)C2 ZINC000096051940 407228488 /nfs/dbraw/zinc/22/84/88/407228488.db2.gz MGSOSEMGQBJQTO-SJLPKXTDSA-N 1 1 322.424 1.995 40 0 DDABMO COCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccnc1)C2 ZINC000096062983 407232754 /nfs/dbraw/zinc/23/27/54/407232754.db2.gz NMOJRZDSVVZTDD-QGZVFWFLSA-N 1 1 303.406 1.656 40 0 DDABMO COCC(=O)N1CCC[C@]2(CCC[N@H+]2Cc2ccncc2)C1 ZINC000096071488 407233977 /nfs/dbraw/zinc/23/39/77/407233977.db2.gz XXRGSRVXXDGTGQ-KRWDZBQOSA-N 1 1 303.406 1.685 40 0 DDABMO COCCC[N@H+]1CCCC12CCN(C(=O)c1cc[nH]n1)CC2 ZINC000096075275 407235097 /nfs/dbraw/zinc/23/50/97/407235097.db2.gz BQMDITUEKTVAGV-UHFFFAOYSA-N 1 1 306.410 1.517 40 0 DDABMO COCCC[N@@H+]1CCCC12CCN(C(=O)c1ccn[nH]1)CC2 ZINC000096075275 407235098 /nfs/dbraw/zinc/23/50/98/407235098.db2.gz BQMDITUEKTVAGV-UHFFFAOYSA-N 1 1 306.410 1.517 40 0 DDABMO COCCC[N@H+]1CCCC12CCN(C(=O)c1ccn[nH]1)CC2 ZINC000096075275 407235100 /nfs/dbraw/zinc/23/51/00/407235100.db2.gz BQMDITUEKTVAGV-UHFFFAOYSA-N 1 1 306.410 1.517 40 0 DDABMO O=S(=O)(c1cccs1)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC000096184407 407244939 /nfs/dbraw/zinc/24/49/39/407244939.db2.gz HMCLCINFHQQVJT-QWHCGFSZSA-N 1 1 312.460 1.995 40 0 DDABMO Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)N(C)C)[C@H]3OCCC[C@H]32)cc1 ZINC000096185843 407246142 /nfs/dbraw/zinc/24/61/42/407246142.db2.gz LVOYABXFRWPKNN-BRWVUGGUSA-N 1 1 317.433 1.998 40 0 DDABMO Cc1ncsc1C[N@H+]1C[C@H](C(=O)NC2CC2)[C@H]2OCC[C@H]21 ZINC000108525762 407386822 /nfs/dbraw/zinc/38/68/22/407386822.db2.gz RTYGMHUSEFMTDA-OUCADQQQSA-N 1 1 307.419 1.319 40 0 DDABMO C[N@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3ncc[nH]3)CC[C@H]21 ZINC000257237201 407509489 /nfs/dbraw/zinc/50/94/89/407509489.db2.gz HFOBYOMVZJUZSN-BZUAXINKSA-N 1 1 310.401 1.970 40 0 DDABMO O=C(Cc1cccs1)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257201104 407490813 /nfs/dbraw/zinc/49/08/13/407490813.db2.gz AGHUWHVQFQRFIK-IIAWOOMASA-N 1 1 324.446 1.021 40 0 DDABMO CC[N@H+](Cc1cscn1)C[C@@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257207034 407493770 /nfs/dbraw/zinc/49/37/70/407493770.db2.gz BGBLCKPSLGJYAP-CQSZACIVSA-N 1 1 320.422 1.313 40 0 DDABMO CC[N@@H+](Cc1cscn1)C[C@@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257207034 407493776 /nfs/dbraw/zinc/49/37/76/407493776.db2.gz BGBLCKPSLGJYAP-CQSZACIVSA-N 1 1 320.422 1.313 40 0 DDABMO CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1([NH3+])COC ZINC000218514674 407518980 /nfs/dbraw/zinc/51/89/80/407518980.db2.gz IVEIXUKTHAQUOL-AGIUHOORSA-N 1 1 303.811 1.584 40 0 DDABMO CCOC[C@@]1([NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218482735 407519138 /nfs/dbraw/zinc/51/91/38/407519138.db2.gz YXKGGIUSXMSLIH-FRRDWIJNSA-N 1 1 303.811 1.584 40 0 DDABMO CN(C)C(=O)COCC[C@H]1C[N@H+](C2CCCC2)Cc2ccnn21 ZINC000247953108 408520388 /nfs/dbraw/zinc/52/03/88/408520388.db2.gz CIEJCYYVZVJJSU-INIZCTEOSA-N 1 1 320.437 1.677 40 0 DDABMO COc1ccc(-c2nccc([C@H]3CCC[N@@H+]3CC(N)=O)n2)cc1 ZINC000072379433 191141141 /nfs/dbraw/zinc/14/11/41/191141141.db2.gz WDRKRMUCKYXNOJ-OAHLLOKOSA-N 1 1 312.373 1.774 40 0 DDABMO COc1ccc(-c2nccc([C@H]3CCC[N@H+]3CC(N)=O)n2)cc1 ZINC000072379433 191141144 /nfs/dbraw/zinc/14/11/44/191141144.db2.gz WDRKRMUCKYXNOJ-OAHLLOKOSA-N 1 1 312.373 1.774 40 0 DDABMO CC[C@H](Oc1ccc(C)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000008499337 352135885 /nfs/dbraw/zinc/13/58/85/352135885.db2.gz IVCQYMJHVUZEMC-KRWDZBQOSA-N 1 1 320.433 1.991 40 0 DDABMO COCc1nnc2n1CC[N@H+](Cc1ncccc1C)[C@@H](C)C2 ZINC000585098490 354805608 /nfs/dbraw/zinc/80/56/08/354805608.db2.gz UBVCOJXZZWGRFJ-ZDUSSCGKSA-N 1 1 301.394 1.575 40 0 DDABMO CC[C@@H](C)N1C[C@]2(CCC[N@@H+](Cc3cc(C)nn3C)C2)C1=O ZINC000585099361 354806668 /nfs/dbraw/zinc/80/66/68/354806668.db2.gz HQARRUHJDWPTNF-RHSMWYFYSA-N 1 1 304.438 1.951 40 0 DDABMO Cc1cccc(OC[C@@]2(O)CC[N@@H+](Cc3ccn(C)n3)C2)c1 ZINC000585269200 354818662 /nfs/dbraw/zinc/81/86/62/354818662.db2.gz LKCWRZDGZRWBJM-QGZVFWFLSA-N 1 1 301.390 1.744 40 0 DDABMO Cc1cccc(OC[C@@]2(O)CC[N@H+](Cc3ccn(C)n3)C2)c1 ZINC000585269200 354818663 /nfs/dbraw/zinc/81/86/63/354818663.db2.gz LKCWRZDGZRWBJM-QGZVFWFLSA-N 1 1 301.390 1.744 40 0 DDABMO CN(C)C(=O)CC[C@]1(O)CCC[N@@H+](CCOc2ccccc2)C1 ZINC000585277041 354820222 /nfs/dbraw/zinc/82/02/22/354820222.db2.gz JLWYNZYQVBESOV-GOSISDBHSA-N 1 1 320.433 1.761 40 0 DDABMO CN(C)C(=O)C[C@@H]1OC(C)(C)C[C@]12CCC[N@H+]2Cc1cc[nH]n1 ZINC000585290454 354825243 /nfs/dbraw/zinc/82/52/43/354825243.db2.gz DHOCROBOVZRXLD-WMLDXEAASA-N 1 1 320.437 1.790 40 0 DDABMO O=C(/C=C/c1cccs1)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257277853 203005514 /nfs/dbraw/zinc/00/55/14/203005514.db2.gz NZTRGKNKTOWALB-QDLOVBKTSA-N 1 1 322.430 1.057 40 0 DDABMO CNc1cc(C)[nH+]c([C@H]2CN(CC(=O)N3CCCC3)CCO2)c1 ZINC000257308430 203031715 /nfs/dbraw/zinc/03/17/15/203031715.db2.gz TWRDHSRIGCNURU-MRXNPFEDSA-N 1 1 318.421 1.427 40 0 DDABMO CC(=O)N1CC[N@H+](Cc2ccccc2F)C[C@@H](C(=O)N(C)C)C1 ZINC000257329411 203052743 /nfs/dbraw/zinc/05/27/43/203052743.db2.gz XJWVGXPBQDSCSH-OAHLLOKOSA-N 1 1 321.396 1.194 40 0 DDABMO CC(=O)N1CC[N@@H+](Cc2ccccc2F)C[C@@H](C(=O)N(C)C)C1 ZINC000257329411 203052748 /nfs/dbraw/zinc/05/27/48/203052748.db2.gz XJWVGXPBQDSCSH-OAHLLOKOSA-N 1 1 321.396 1.194 40 0 DDABMO Cc1ncc(CNC(=O)C2CCOCC2)c([C@@H]2CCC[N@@H+]2C)n1 ZINC000257314803 203038144 /nfs/dbraw/zinc/03/81/44/203038144.db2.gz UYMMCNLSQZVONE-HNNXBMFYSA-N 1 1 318.421 1.595 40 0 DDABMO CN(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC3CCCC3)C[C@H]2C1 ZINC000096246108 193598183 /nfs/dbraw/zinc/59/81/83/193598183.db2.gz KNXMBRWNHIHTFT-DLBZAZTESA-N 1 1 307.482 1.909 40 0 DDABMO C[NH+](C)CCN1CC[C@H]2CN(C(=O)CC3CCCC3)C[C@H]2C1 ZINC000096246108 193598185 /nfs/dbraw/zinc/59/81/85/193598185.db2.gz KNXMBRWNHIHTFT-DLBZAZTESA-N 1 1 307.482 1.909 40 0 DDABMO Cc1ccc(/C=C/C(=O)NCCC[NH+]2CCN(C)CC2)cc1 ZINC000022933765 182341933 /nfs/dbraw/zinc/34/19/33/182341933.db2.gz XGLXGZVOUKWTNA-CMDGGOBGSA-N 1 1 301.434 1.762 40 0 DDABMO COc1ccc(-c2nnc3n2C2(CC[NH2+]CC2)CN(C)C3)cc1 ZINC000306135075 286265027 /nfs/dbraw/zinc/26/50/27/286265027.db2.gz OHDLXFNIRMWNDQ-UHFFFAOYSA-N 1 1 313.405 1.478 40 0 DDABMO O=C1NC(N2CCN(c3ccccc3)CC2)=[NH+][C@@H]2CCCC[C@H]12 ZINC000001718141 406678021 /nfs/dbraw/zinc/67/80/21/406678021.db2.gz RQOSPVWDWCTUIB-JKSUJKDBSA-N 1 1 312.417 1.853 40 0 DDABMO Cc1nc2ccc(C)cn2c1C(=O)NCCC[NH+]1CCOCC1 ZINC000071476667 406839874 /nfs/dbraw/zinc/83/98/74/406839874.db2.gz TYEGIVSXLHNJLW-UHFFFAOYSA-N 1 1 316.405 1.403 40 0 DDABMO COc1ccc([C@@H](O)C[N@@H+]2CCc3c(nc(C)n3C)C2)cc1 ZINC000033726195 406962510 /nfs/dbraw/zinc/96/25/10/406962510.db2.gz IFSBHVXPLMGYKF-KRWDZBQOSA-N 1 1 301.390 1.829 40 0 DDABMO COc1ccc([C@@H](O)C[N@H+]2CCc3c(nc(C)n3C)C2)cc1 ZINC000033726195 406962512 /nfs/dbraw/zinc/96/25/12/406962512.db2.gz IFSBHVXPLMGYKF-KRWDZBQOSA-N 1 1 301.390 1.829 40 0 DDABMO COc1ccc([C@@H](O)CN2CCc3c([nH+]c(C)n3C)C2)cc1 ZINC000033726195 406962514 /nfs/dbraw/zinc/96/25/14/406962514.db2.gz IFSBHVXPLMGYKF-KRWDZBQOSA-N 1 1 301.390 1.829 40 0 DDABMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H](CC(=O)N4CCC4)O[C@@H]3C2)o1 ZINC000096217271 407251598 /nfs/dbraw/zinc/25/15/98/407251598.db2.gz XDKPPTJDYMMWPN-CWRNSKLLSA-N 1 1 304.390 1.800 40 0 DDABMO CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096038760 407224191 /nfs/dbraw/zinc/22/41/91/407224191.db2.gz PERKUIGQRULTKL-NVXWUHKLSA-N 1 1 318.373 1.142 40 0 DDABMO O=C(NC1CC1)[C@@]12CCO[C@@H]1CC[N@H+](Cc1nccs1)C2 ZINC000096038782 407224279 /nfs/dbraw/zinc/22/42/79/407224279.db2.gz AVQCKLMZQKIVSI-IUODEOHRSA-N 1 1 307.419 1.403 40 0 DDABMO O=C(NC1CC1)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1nccs1)C2 ZINC000096038782 407224282 /nfs/dbraw/zinc/22/42/82/407224282.db2.gz AVQCKLMZQKIVSI-IUODEOHRSA-N 1 1 307.419 1.403 40 0 DDABMO CN(C)C(=O)CN1C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096038526 407224368 /nfs/dbraw/zinc/22/43/68/407224368.db2.gz LXLSBQOXYAKCGP-GASCZTMLSA-N 1 1 305.397 1.278 40 0 DDABMO CN(C)C(=O)C[N@H+]1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096038526 407224370 /nfs/dbraw/zinc/22/43/70/407224370.db2.gz LXLSBQOXYAKCGP-GASCZTMLSA-N 1 1 305.397 1.278 40 0 DDABMO CN(C)C(=O)C[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096038526 407224372 /nfs/dbraw/zinc/22/43/72/407224372.db2.gz LXLSBQOXYAKCGP-GASCZTMLSA-N 1 1 305.397 1.278 40 0 DDABMO O=C([C@H]1C[N@@H+](Cc2cccnc2)C[C@H]2OCC[C@H]21)N1CCCO1 ZINC000096041196 407225641 /nfs/dbraw/zinc/22/56/41/407225641.db2.gz MNIMRTXGDFPJQO-HRCADAONSA-N 1 1 317.389 1.082 40 0 DDABMO O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2O1 ZINC000096042722 407226428 /nfs/dbraw/zinc/22/64/28/407226428.db2.gz JUJAOAOJNVWUPM-GVDBMIGSSA-N 1 1 322.449 1.419 40 0 DDABMO CC(C)[N@@H+](C)C[C@H]1CO[C@]2(C1)COCCN(C(=O)N(C)C)C2 ZINC000096052005 407228342 /nfs/dbraw/zinc/22/83/42/407228342.db2.gz ZYDAGCDZXMQYRA-HOCLYGCPSA-N 1 1 313.442 1.116 40 0 DDABMO Cc1noc(C)c1C[N@@H+]1CC[C@@H]2OC[C@H](C(=O)N(C)C)C[C@@H]2C1 ZINC000096065996 407233217 /nfs/dbraw/zinc/23/32/17/407233217.db2.gz XBGQLWAZVLSWSM-FMKPAKJESA-N 1 1 321.421 1.607 40 0 DDABMO c1cc(CN2CCC[C@]3(C2)COCC[N@H+](CC2CC2)C3)n[nH]1 ZINC000096076323 407235018 /nfs/dbraw/zinc/23/50/18/407235018.db2.gz WKDLXFJEUNPKNW-QGZVFWFLSA-N 1 1 304.438 1.734 40 0 DDABMO c1csc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CN3CCOCC3)C2)n1 ZINC000096083115 407235927 /nfs/dbraw/zinc/23/59/27/407235927.db2.gz ASGRXFJNIKPEGK-KFWWJZLASA-N 1 1 323.462 1.312 40 0 DDABMO c1coc(C[N@H+]2C[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)c1 ZINC000096082320 407236226 /nfs/dbraw/zinc/23/62/26/407236226.db2.gz JGSDEJITRXRDFL-UKRRQHHQSA-N 1 1 300.362 1.407 40 0 DDABMO CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](Cc1cccs1)C2 ZINC000096108689 407238146 /nfs/dbraw/zinc/23/81/46/407238146.db2.gz IGWFLHGNWVRIAR-CJNGLKHVSA-N 1 1 324.446 1.301 40 0 DDABMO CNC(=O)C(C)(C)[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000096113061 407238699 /nfs/dbraw/zinc/23/86/99/407238699.db2.gz GJFZPYUORWRCNO-HNNXBMFYSA-N 1 1 317.433 1.634 40 0 biogenic,in-vitro DDABMO CNC(=O)C(C)(C)[N@H+]1CCC[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000096113061 407238701 /nfs/dbraw/zinc/23/87/01/407238701.db2.gz GJFZPYUORWRCNO-HNNXBMFYSA-N 1 1 317.433 1.634 40 0 biogenic,in-vitro DDABMO COc1cccc(C(=O)N2CCOC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000096201955 407248710 /nfs/dbraw/zinc/24/87/10/407248710.db2.gz IJVKETUTSADRJJ-QGZVFWFLSA-N 1 1 304.390 1.490 40 0 DDABMO O=C(C[C@H]1OC[C@H]2C[N@H+](C3CCOCC3)CC[C@@H]12)N1CCCO1 ZINC000096207041 407249677 /nfs/dbraw/zinc/24/96/77/407249677.db2.gz GDBJMQRCLZUTRM-FVQBIDKESA-N 1 1 324.421 1.056 40 0 DDABMO CC(=O)N1CC[N@@H+](CC2(O)CCOCC2)[C@@H](c2ccccc2)C1 ZINC000257206153 407493334 /nfs/dbraw/zinc/49/33/34/407493334.db2.gz BCBUOOLLZNKLGB-QGZVFWFLSA-N 1 1 318.417 1.433 40 0 DDABMO Cc1ncc(CNC(=O)c2cscn2)c([C@H]2CCC[N@@H+]2C)n1 ZINC000257213511 407498114 /nfs/dbraw/zinc/49/81/14/407498114.db2.gz CHWACLBYJLXEMW-CYBMUJFWSA-N 1 1 317.418 1.938 40 0 DDABMO Cc1nccc([C@H]2CN(C(=O)C[N@H+](C)C3CCCC3)CCO2)n1 ZINC000257216818 407500306 /nfs/dbraw/zinc/50/03/06/407500306.db2.gz CWEYGIXJGMMUSY-MRXNPFEDSA-N 1 1 318.421 1.559 40 0 DDABMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257264144 407526118 /nfs/dbraw/zinc/52/61/18/407526118.db2.gz LTCIPKSHZSBBLT-HNNXBMFYSA-N 1 1 313.405 1.530 40 0 DDABMO O=C1CO[C@H]2C[N@H+](Cc3cccs3)C[C@@H]2N1C1CCOCC1 ZINC000257316767 407532713 /nfs/dbraw/zinc/53/27/13/407532713.db2.gz VGXSPMLGXDXRES-GJZGRUSLSA-N 1 1 322.430 1.339 40 0 DDABMO O=C1CO[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]2N1C1CCOCC1 ZINC000257316767 407532716 /nfs/dbraw/zinc/53/27/16/407532716.db2.gz VGXSPMLGXDXRES-GJZGRUSLSA-N 1 1 322.430 1.339 40 0 DDABMO Cc1c(C[N@@H+]2CC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)cnn1C ZINC000257333995 407534595 /nfs/dbraw/zinc/53/45/95/407534595.db2.gz YEBDSCUFGSDSSX-LBPRGKRZSA-N 1 1 316.409 1.143 40 0 DDABMO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2CC1CC1)c1cnccn1 ZINC000247467283 408476187 /nfs/dbraw/zinc/47/61/87/408476187.db2.gz DBAWANKCMMSDPU-IMJJTQAJSA-N 1 1 316.405 1.096 40 0 DDABMO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000248093768 408533819 /nfs/dbraw/zinc/53/38/19/408533819.db2.gz YIJKNUCLAVQBFF-RDJZCZTQSA-N 1 1 302.422 1.946 40 0 DDABMO [NH3+][C@@H](C(=O)N[C@H]1C(=O)N2C=C(Cl)CS[C@@H]12)c1ccccc1 ZINC000521813222 421799357 /nfs/dbraw/zinc/79/93/57/421799357.db2.gz VWVYOMJTZSHVIP-SUNKGSAMSA-N 1 1 323.805 1.167 40 0 DDABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncccn1)C2 ZINC000096217999 277254130 /nfs/dbraw/zinc/25/41/30/277254130.db2.gz IPCLIIAQQGSJKS-DOTOQJQBSA-N 1 1 302.422 1.661 40 0 DDABMO Cc1cccc(C(=O)N2CCc3c(C[NH+](C)C)nn(C)c3C2)c1 ZINC000096084142 281191718 /nfs/dbraw/zinc/19/17/18/281191718.db2.gz WPYDVAVCMSOJDF-UHFFFAOYSA-N 1 1 312.417 1.989 40 0 DDABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(S(=O)(=O)C3CC3)C[C@H]12 ZINC000096251825 290188309 /nfs/dbraw/zinc/18/83/09/290188309.db2.gz AJGZEHZHXBTMOY-IRXDYDNUSA-N 1 1 320.458 1.826 40 0 DDABMO NC(=O)CCC(=O)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2CC1CC1 ZINC000257233738 303241956 /nfs/dbraw/zinc/24/19/56/303241956.db2.gz GQNMMWGRJWMLIG-HUUCEWRRSA-N 1 1 307.438 1.507 40 0 DDABMO COCC[NH+]1CCN(Cc2cnc([C@H]3CCCCO3)nc2)CC1 ZINC000257207270 545652419 /nfs/dbraw/zinc/65/24/19/545652419.db2.gz BHAVTPCLPDMRFZ-MRXNPFEDSA-N 1 1 320.437 1.482 40 0 DDABMO CN(C)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC000306129392 231086532 /nfs/dbraw/zinc/08/65/32/231086532.db2.gz IBVRTKCFJBEJJL-LSDHHAIUSA-N 1 1 304.394 1.038 40 0 DDABMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@]1(C)C(=O)NC1CCCC1 ZINC000072392236 191147141 /nfs/dbraw/zinc/14/71/41/191147141.db2.gz KJOYTMOLJCDMFL-KRWDZBQOSA-N 1 1 318.421 1.631 40 0 DDABMO CC(C)[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)N2CCCC2)C1 ZINC000585111782 354810052 /nfs/dbraw/zinc/81/00/52/354810052.db2.gz BSQWUYNZYRPPHB-AWEZNQCLSA-N 1 1 305.426 1.844 40 0 DDABMO CC(C)[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)N2CCCC2)C1 ZINC000585111782 354810057 /nfs/dbraw/zinc/81/00/57/354810057.db2.gz BSQWUYNZYRPPHB-AWEZNQCLSA-N 1 1 305.426 1.844 40 0 DDABMO O=C(NCC[C@@H]1C[N@@H+](C2CCC2)Cc2ccnn21)N1CCCC1 ZINC000585112871 354810478 /nfs/dbraw/zinc/81/04/78/354810478.db2.gz XKRFHRQSADLUMM-OAHLLOKOSA-N 1 1 317.437 1.988 40 0 DDABMO O=C(NCC[C@@H]1C[N@H+](C2CCC2)Cc2ccnn21)N1CCCC1 ZINC000585112871 354810481 /nfs/dbraw/zinc/81/04/81/354810481.db2.gz XKRFHRQSADLUMM-OAHLLOKOSA-N 1 1 317.437 1.988 40 0 DDABMO CCc1nc(C)c(C[N@H+]2CCC[C@]2(COC)CC(=O)NC)[nH]1 ZINC000585278399 354822383 /nfs/dbraw/zinc/82/23/83/354822383.db2.gz SLWXQKUKBXRNJF-MRXNPFEDSA-N 1 1 308.426 1.398 40 0 DDABMO COC[C@]1(CC(=O)N(C)C)CCC[N@H+]1Cc1nccn1C(C)C ZINC000585278966 354822563 /nfs/dbraw/zinc/82/25/63/354822563.db2.gz XHCVLNAPPCBJQY-QGZVFWFLSA-N 1 1 322.453 1.923 40 0 DDABMO Nc1cc(CC[C@H]2C[N@H+](CC3(O)CCCCC3)CCO2)ccn1 ZINC000257317216 203041765 /nfs/dbraw/zinc/04/17/65/203041765.db2.gz VIVSGGIHOOIGNC-INIZCTEOSA-N 1 1 319.449 1.992 40 0 DDABMO Nc1cc(CC[C@H]2C[N@@H+](CC3(O)CCCCC3)CCO2)ccn1 ZINC000257317216 203041768 /nfs/dbraw/zinc/04/17/68/203041768.db2.gz VIVSGGIHOOIGNC-INIZCTEOSA-N 1 1 319.449 1.992 40 0 DDABMO O=C(CCc1ccc2c(c1)OCO2)NCCC[NH+]1CCOCC1 ZINC000022688346 182330292 /nfs/dbraw/zinc/33/02/92/182330292.db2.gz IVCNAVOTMIYCNZ-UHFFFAOYSA-N 1 1 320.389 1.186 40 0 DDABMO O=c1[nH]c2cc3c(cc2cc1CNCC[NH+]1CCCC1)OCO3 ZINC000023247891 182354381 /nfs/dbraw/zinc/35/43/81/182354381.db2.gz VHBPQGYUNJQDCE-UHFFFAOYSA-N 1 1 315.373 1.442 40 0 DDABMO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000038756810 183009562 /nfs/dbraw/zinc/00/95/62/183009562.db2.gz AFCJZKKECMXHPS-MRXNPFEDSA-N 1 1 324.396 1.822 40 0 DDABMO O=C(c1ccncc1)N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000063526860 184284627 /nfs/dbraw/zinc/28/46/27/184284627.db2.gz SKXSKLVLSIALGI-IYBDPMFKSA-N 1 1 308.385 1.681 40 0 DDABMO Cc1cc(C)c2c(n[nH]c2N[C@H]2COC3(C2)CC[NH2+]CC3)n1 ZINC000019657288 406886138 /nfs/dbraw/zinc/88/61/38/406886138.db2.gz MXZVUCCPNGDVQR-GFCCVEGCSA-N 1 1 301.394 1.898 40 0 DDABMO C[NH+]1CCN(CC(=O)NCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000023473225 406891834 /nfs/dbraw/zinc/89/18/34/406891834.db2.gz FBHMNKARGKKKLO-UHFFFAOYSA-N 1 1 319.493 1.957 40 0 DDABMO COc1ccccc1C1(O)CC[NH+](Cc2cnc(N)nc2)CC1 ZINC000012328658 406841762 /nfs/dbraw/zinc/84/17/62/406841762.db2.gz OGHPQRKKMHLJTM-UHFFFAOYSA-N 1 1 314.389 1.551 40 0 DDABMO CC[NH+]1CCN([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)CC1 ZINC000036633883 406981682 /nfs/dbraw/zinc/98/16/82/406981682.db2.gz YSUFMIPXUUBTTO-MRXNPFEDSA-N 1 1 315.417 1.573 40 0 DDABMO COc1ccc(NC(=S)NCCC[NH+]2CCOCC2)cn1 ZINC000047807125 407080871 /nfs/dbraw/zinc/08/08/71/407080871.db2.gz ALCPNGMYUJKBSK-UHFFFAOYSA-N 1 1 310.423 1.099 40 0 DDABMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(C)=O)CC2 ZINC000096219815 407251751 /nfs/dbraw/zinc/25/17/51/407251751.db2.gz FLFPFRPQVHMTSH-QGZVFWFLSA-N 1 1 324.465 1.762 40 0 DDABMO O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCC[N@H+](CCO)C2 ZINC000096225227 407252716 /nfs/dbraw/zinc/25/27/16/407252716.db2.gz OPYZXVGJRGIYST-INIZCTEOSA-N 1 1 303.362 1.228 40 0 DDABMO Cn1ccnc1C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC000096227901 407254362 /nfs/dbraw/zinc/25/43/62/407254362.db2.gz OBIZGBQFOGMETI-UHFFFAOYSA-N 1 1 302.422 1.901 40 0 DDABMO c1coc(C[N@@H+]2CCc3nnc(CN4CCCCC4)n3CC2)c1 ZINC000096259887 407258418 /nfs/dbraw/zinc/25/84/18/407258418.db2.gz VACQSXFQJUOZNS-UHFFFAOYSA-N 1 1 315.421 1.915 40 0 DDABMO Cc1oncc1C(=O)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccn1 ZINC000096038571 407224520 /nfs/dbraw/zinc/22/45/20/407224520.db2.gz OYKINQLXDCGYQC-CVEARBPZSA-N 1 1 312.373 1.867 40 0 DDABMO Cc1oncc1C(=O)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccn1 ZINC000096038571 407224521 /nfs/dbraw/zinc/22/45/21/407224521.db2.gz OYKINQLXDCGYQC-CVEARBPZSA-N 1 1 312.373 1.867 40 0 DDABMO c1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)[C@H]3OCCC[C@H]3C2)cc1 ZINC000096040615 407225048 /nfs/dbraw/zinc/22/50/48/407225048.db2.gz WHMOCCPANRMUNS-OTWHNJEPSA-N 1 1 316.445 1.998 40 0 DDABMO CS(=O)(=O)N1CCCC12CC[NH+](Cc1ccccn1)CC2 ZINC000096049351 407226790 /nfs/dbraw/zinc/22/67/90/407226790.db2.gz PXHXKPBMUYUUOY-UHFFFAOYSA-N 1 1 309.435 1.472 40 0 DDABMO COc1ncccc1C[N@@H+]1C[C@@H]2C[C@@H](c3nnc(C)[nH]3)O[C@@H]2C1 ZINC000096045876 407226923 /nfs/dbraw/zinc/22/69/23/407226923.db2.gz YBBGHMUVDWGXEY-MELADBBJSA-N 1 1 315.377 1.479 40 0 DDABMO COc1ncccc1C[N@H+]1C[C@@H]2C[C@@H](c3nnc(C)[nH]3)O[C@@H]2C1 ZINC000096045876 407226925 /nfs/dbraw/zinc/22/69/25/407226925.db2.gz YBBGHMUVDWGXEY-MELADBBJSA-N 1 1 315.377 1.479 40 0 DDABMO Cc1ccc(CN2CCO[C@@]3(C2)COCC[N@H+](C(C)C)C3)o1 ZINC000096049726 407228628 /nfs/dbraw/zinc/22/86/28/407228628.db2.gz PXVBFGQOBVRVSE-QGZVFWFLSA-N 1 1 308.422 1.900 40 0 DDABMO c1csc(CN2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC000096055011 407229929 /nfs/dbraw/zinc/22/99/29/407229929.db2.gz VUFOFFZRZXYDCE-CHWSQXEVSA-N 1 1 317.418 1.271 40 0 DDABMO O=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccco2)C1 ZINC000096057593 407230630 /nfs/dbraw/zinc/23/06/30/407230630.db2.gz JGUQNROANVXCNL-NUEKZKHPSA-N 1 1 304.390 1.785 40 0 DDABMO O=C(C[C@@H]1COC[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21)N1CCCO1 ZINC000096057301 407231061 /nfs/dbraw/zinc/23/10/61/407231061.db2.gz NIAZGKSLUQWISD-FMKPAKJESA-N 1 1 320.389 1.528 40 0 DDABMO O=C(C[C@@H]1COC[C@H]2C[N@@H+](CC3CC3)C[C@H]21)N1CCCCO1 ZINC000096057299 407231141 /nfs/dbraw/zinc/23/11/41/407231141.db2.gz UDVALSCZZHUGFS-OAGGEKHMSA-N 1 1 308.422 1.535 40 0 DDABMO CN(C)C(=O)[C@H]1CCC2(CC[NH+](Cc3nccs3)CC2)O1 ZINC000096061129 407231924 /nfs/dbraw/zinc/23/19/24/407231924.db2.gz JMTCHNMSRVRDOQ-GFCCVEGCSA-N 1 1 309.435 1.745 40 0 DDABMO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](CC1CC1)C2 ZINC000096111941 407239048 /nfs/dbraw/zinc/23/90/48/407239048.db2.gz OSOIBIFVPDUQDG-HOCLYGCPSA-N 1 1 316.401 1.911 40 0 biogenic,in-vitro DDABMO CNC(=O)[C@@]12CCC3(CCN(C(=O)C(C)C)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096143832 407240402 /nfs/dbraw/zinc/24/04/02/407240402.db2.gz BPQJJFGBCNBJCW-KBXCAEBGSA-N 1 1 321.465 1.339 40 0 DDABMO O=C(c1ccccn1)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CCOCC1 ZINC000096184459 407244176 /nfs/dbraw/zinc/24/41/76/407244176.db2.gz BHDHYKRROAXQGQ-DLBZAZTESA-N 1 1 315.417 1.797 40 0 DDABMO c1coc(C[N@H+]2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)c1 ZINC000096185040 407244803 /nfs/dbraw/zinc/24/48/03/407244803.db2.gz KKKYAQOUIGPKRY-BBWFWOEESA-N 1 1 307.390 1.922 40 0 DDABMO c1coc(C[N@@H+]2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)c1 ZINC000096185040 407244805 /nfs/dbraw/zinc/24/48/05/407244805.db2.gz KKKYAQOUIGPKRY-BBWFWOEESA-N 1 1 307.390 1.922 40 0 DDABMO COC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000096188894 407245425 /nfs/dbraw/zinc/24/54/25/407245425.db2.gz KUKGFPONMBXHQE-AWEZNQCLSA-N 1 1 315.373 1.890 40 0 DDABMO COC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000096188894 407245428 /nfs/dbraw/zinc/24/54/28/407245428.db2.gz KUKGFPONMBXHQE-AWEZNQCLSA-N 1 1 315.373 1.890 40 0 DDABMO O[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)[C@H]1Cc1cccnc1 ZINC000096200436 407248967 /nfs/dbraw/zinc/24/89/67/407248967.db2.gz JJTPRODAQSSKMX-HOTGVXAUSA-N 1 1 312.369 1.988 40 0 DDABMO O=C1NCCO[C@H]2C[N@@H+](Cc3ccc4ccccc4n3)CC[C@@H]12 ZINC000096205874 407249715 /nfs/dbraw/zinc/24/97/15/407249715.db2.gz NWKRCRSBPOUWHL-WBVHZDCISA-N 1 1 311.385 1.572 40 0 DDABMO O=C(C[C@H]1OC[C@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]12)NC1CC1 ZINC000096206544 407249776 /nfs/dbraw/zinc/24/97/76/407249776.db2.gz DCVQVSFSJSQCFY-FVQBIDKESA-N 1 1 304.390 1.785 40 0 DDABMO Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2csc(C)n2)C3)n1 ZINC000096208750 407250431 /nfs/dbraw/zinc/25/04/31/407250431.db2.gz ASUCLBWYQNXWIJ-BXUZGUMPSA-N 1 1 306.391 1.543 40 0 DDABMO Cc1noc([C@]23COC[C@H]2C[N@H+](Cc2csc(C)n2)C3)n1 ZINC000096208750 407250434 /nfs/dbraw/zinc/25/04/34/407250434.db2.gz ASUCLBWYQNXWIJ-BXUZGUMPSA-N 1 1 306.391 1.543 40 0 DDABMO C[C@H]1c2ncc(CNC(=O)C3CC3)n2CC[N@H+]1C[C@H]1CCOC1 ZINC000107781130 407379461 /nfs/dbraw/zinc/37/94/61/407379461.db2.gz YPMVJZHKSMBVNW-QWHCGFSZSA-N 1 1 318.421 1.322 40 0 DDABMO C[C@H]1c2ncc(CNC(=O)C3CC3)n2CC[N@@H+]1C[C@H]1CCOC1 ZINC000107781130 407379462 /nfs/dbraw/zinc/37/94/62/407379462.db2.gz YPMVJZHKSMBVNW-QWHCGFSZSA-N 1 1 318.421 1.322 40 0 DDABMO Cc1cnc(C(=O)N2CC[C@@H]3OCC[N@H+](CC4CC4)[C@H]3C2)cn1 ZINC000108535926 407387299 /nfs/dbraw/zinc/38/72/99/407387299.db2.gz RIXDLOSKDQNECP-HOTGVXAUSA-N 1 1 316.405 1.110 40 0 DDABMO Cc1cnc(C(=O)N2CC[C@@H]3OCC[N@@H+](CC4CC4)[C@H]3C2)cn1 ZINC000108535926 407387301 /nfs/dbraw/zinc/38/73/01/407387301.db2.gz RIXDLOSKDQNECP-HOTGVXAUSA-N 1 1 316.405 1.110 40 0 DDABMO COCCN1CCO[C@H]2CC[N@@H+](Cc3ncccc3C)C[C@@H]21 ZINC000108527352 407387443 /nfs/dbraw/zinc/38/74/43/407387443.db2.gz CIFHKNMXDNSYHM-IRXDYDNUSA-N 1 1 305.422 1.312 40 0 DDABMO COCCN1CCO[C@H]2CC[N@H+](Cc3cccc(OC)n3)C[C@@H]21 ZINC000108531356 407387454 /nfs/dbraw/zinc/38/74/54/407387454.db2.gz NKWUPGOZEPTOKG-HOTGVXAUSA-N 1 1 321.421 1.012 40 0 DDABMO COCCN1CCO[C@H]2CC[N@@H+](Cc3cccc(OC)n3)C[C@@H]21 ZINC000108531356 407387456 /nfs/dbraw/zinc/38/74/56/407387456.db2.gz NKWUPGOZEPTOKG-HOTGVXAUSA-N 1 1 321.421 1.012 40 0 DDABMO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2cncnc2)n1 ZINC000257200069 407489337 /nfs/dbraw/zinc/48/93/37/407489337.db2.gz ABWWMFNALJGYFM-QGZVFWFLSA-N 1 1 311.389 1.845 40 0 DDABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2cncnc2)n1 ZINC000257200069 407489341 /nfs/dbraw/zinc/48/93/41/407489341.db2.gz ABWWMFNALJGYFM-QGZVFWFLSA-N 1 1 311.389 1.845 40 0 DDABMO Cn1nc([C@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)c2nccnc21 ZINC000257225305 407504341 /nfs/dbraw/zinc/50/43/41/407504341.db2.gz FFROMVGROGKPKJ-OLZOCXBDSA-N 1 1 301.394 1.579 40 0 DDABMO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](C1CCCCC1)C[C@@H]2O ZINC000257332199 407534147 /nfs/dbraw/zinc/53/41/47/407534147.db2.gz XWFMVNYWMUHFOY-GJZGRUSLSA-N 1 1 316.467 1.180 40 0 DDABMO O=C(C[C@H]1C[N@@H+](C2CCOCC2)Cc2ccnn21)N1CCCC1 ZINC000247809034 408511901 /nfs/dbraw/zinc/51/19/01/408511901.db2.gz DCADJGDMYBFWKN-INIZCTEOSA-N 1 1 318.421 1.431 40 0 DDABMO O=C(C[C@H]1C[N@H+](C2CCOCC2)Cc2ccnn21)N1CCCC1 ZINC000247809034 408511905 /nfs/dbraw/zinc/51/19/05/408511905.db2.gz DCADJGDMYBFWKN-INIZCTEOSA-N 1 1 318.421 1.431 40 0 DDABMO COCC[N@H+]1CC[C@H]2OCCC[C@@]2(COc2cccnc2)C1 ZINC000247907964 408514813 /nfs/dbraw/zinc/51/48/13/408514813.db2.gz XMFITNAHAOLRIU-SJORKVTESA-N 1 1 306.406 1.978 40 0 DDABMO C[C@@H]1C[C@@H](NC(=O)[C@](C)(O)CCc2ccccc2)CC[N@H+]1C ZINC000330389267 410662375 /nfs/dbraw/zinc/66/23/75/410662375.db2.gz DXIMROQBLROYKM-UWWQBHOKSA-N 1 1 304.434 1.969 40 0 DDABMO C[NH+]1CCN(c2n[nH]c(=O)c3c2nnn3C2CCCCC2)CC1 ZINC000016958843 277115527 /nfs/dbraw/zinc/11/55/27/277115527.db2.gz CBKVJEDOWJQSFM-UHFFFAOYSA-N 1 1 317.397 1.184 40 0 DDABMO O=C(C1CCOCC1)N1CC[C@@H]2OCC[N@H+](CC3CC3)[C@H]2C1 ZINC000108525776 185518724 /nfs/dbraw/zinc/51/87/24/185518724.db2.gz WUVNUFJLQFUJNH-HOTGVXAUSA-N 1 1 308.422 1.125 40 0 DDABMO O=C(C1CCOCC1)N1CC[C@@H]2OCC[N@@H+](CC3CC3)[C@H]2C1 ZINC000108525776 185518725 /nfs/dbraw/zinc/51/87/25/185518725.db2.gz WUVNUFJLQFUJNH-HOTGVXAUSA-N 1 1 308.422 1.125 40 0 DDABMO C[N@H+]1C[C@@H]2CN(C(=O)CCc3ccccc3)CCN2C(C)(C)C1 ZINC000253400068 186307133 /nfs/dbraw/zinc/30/71/33/186307133.db2.gz KLLMDHAWJKNLEZ-QGZVFWFLSA-N 1 1 315.461 1.856 40 0 biogenic,in-vitro DDABMO CNC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccnc(N2CCCC2)n1 ZINC000072348337 191128261 /nfs/dbraw/zinc/12/82/61/191128261.db2.gz BUPLXLTUULVSHC-INIZCTEOSA-N 1 1 303.410 1.177 40 0 DDABMO CNC(=O)[C@]1(C)CCC[N@H+]1Cc1ccnc(N2CCCC2)n1 ZINC000072348337 191128263 /nfs/dbraw/zinc/12/82/63/191128263.db2.gz BUPLXLTUULVSHC-INIZCTEOSA-N 1 1 303.410 1.177 40 0 DDABMO CCc1nccn1-c1cccc([C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072355715 191129883 /nfs/dbraw/zinc/12/98/83/191129883.db2.gz CSWMKTPDABNCND-ZDUSSCGKSA-N 1 1 313.405 1.494 40 0 DDABMO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072355715 191129886 /nfs/dbraw/zinc/12/98/86/191129886.db2.gz CSWMKTPDABNCND-ZDUSSCGKSA-N 1 1 313.405 1.494 40 0 DDABMO COc1ncccc1CN1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC000096184313 353914042 /nfs/dbraw/zinc/91/40/42/353914042.db2.gz RHBSKZYEZKBUBK-JKSUJKDBSA-N 1 1 304.438 1.300 40 0 DDABMO COc1ncccc1CN1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC000096184313 353914046 /nfs/dbraw/zinc/91/40/46/353914046.db2.gz RHBSKZYEZKBUBK-JKSUJKDBSA-N 1 1 304.438 1.300 40 0 DDABMO COc1ncccc1CN1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC000096184313 353914048 /nfs/dbraw/zinc/91/40/48/353914048.db2.gz RHBSKZYEZKBUBK-JKSUJKDBSA-N 1 1 304.438 1.300 40 0 DDABMO CCOC[C@@H]1C[N@@H+](C)C2(CN(C(=O)c3cncc(C)c3)C2)C1 ZINC000585093736 354803343 /nfs/dbraw/zinc/80/33/43/354803343.db2.gz BDAFARPYUCGGEQ-AWEZNQCLSA-N 1 1 303.406 1.573 40 0 DDABMO CC[C@H](C)[N@H+]1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099383 354807353 /nfs/dbraw/zinc/80/73/53/354807353.db2.gz HSLCCVONXWKXPV-GUYCJALGSA-N 1 1 303.406 1.613 40 0 DDABMO O=C(NC[C@H]1C[N@@H+](C2CCCC2)Cc2ccnn21)N1CCCC1 ZINC000585111581 354809235 /nfs/dbraw/zinc/80/92/35/354809235.db2.gz CXYKTOZCDOQBIV-INIZCTEOSA-N 1 1 317.437 1.988 40 0 DDABMO O=C(NC[C@H]1C[N@H+](C2CCCC2)Cc2ccnn21)N1CCCC1 ZINC000585111581 354809238 /nfs/dbraw/zinc/80/92/38/354809238.db2.gz CXYKTOZCDOQBIV-INIZCTEOSA-N 1 1 317.437 1.988 40 0 DDABMO Cc1cccc(C[N@@H+]2CCC[C@@](O)(CCC(=O)N(C)C)C2)n1 ZINC000585276868 354820728 /nfs/dbraw/zinc/82/07/28/354820728.db2.gz SDQLCIQHEKNURE-QGZVFWFLSA-N 1 1 305.422 1.585 40 0 DDABMO COc1ccc2[nH]c(C[N@H+]3C[C@H](O)[C@]4(CCCO4)C3)cc2c1 ZINC000257270475 203000183 /nfs/dbraw/zinc/00/01/83/203000183.db2.gz MUIZOVOEHPJGEQ-IRXDYDNUSA-N 1 1 302.374 1.902 40 0 DDABMO CNc1cc([C@@H]2CCCN2C(=O)CC[NH+]2CCOCC2)ccn1 ZINC000257334436 203056554 /nfs/dbraw/zinc/05/65/54/203056554.db2.gz YFWCVJBHKAUWMA-HNNXBMFYSA-N 1 1 318.421 1.509 40 0 DDABMO CCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)C1 ZINC000019501312 182125881 /nfs/dbraw/zinc/12/58/81/182125881.db2.gz PQFWDOYHRKPOLV-GFCCVEGCSA-N 1 1 318.421 1.676 40 0 DDABMO Cc1cccc(O[C@H](C)C(=O)NCCC[NH+]2CCOCC2)c1C ZINC000020491374 182223881 /nfs/dbraw/zinc/22/38/81/182223881.db2.gz SBHXSSSPTVLBAN-MRXNPFEDSA-N 1 1 320.433 1.909 40 0 DDABMO O=C(C[NH+]1CCC(n2c(=O)oc3ccccc32)CC1)NC1CC1 ZINC000012184672 406838751 /nfs/dbraw/zinc/83/87/51/406838751.db2.gz NBOMVKYYVRZFAX-UHFFFAOYSA-N 1 1 315.373 1.510 40 0 DDABMO CN1C(SCc2ccc(F)cc2)=[NH+][C@H]2CS(=O)(=O)C[C@H]21 ZINC000032508609 406948750 /nfs/dbraw/zinc/94/87/50/406948750.db2.gz VRVUGBVWDBRWNP-NWDGAFQWSA-N 1 1 314.407 1.526 40 0 DDABMO Cn1cncc1-c1nnc([C@H]2CC[N@@H+](Cc3cccnc3)C2)o1 ZINC000049170483 407116341 /nfs/dbraw/zinc/11/63/41/407116341.db2.gz XFDZCDNOCJALNF-ZDUSSCGKSA-N 1 1 310.361 1.855 40 0 biogenic,in-vitro DDABMO C[N@H+]1CCOC[C@@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096228725 407253637 /nfs/dbraw/zinc/25/36/37/407253637.db2.gz JOHPSTBXTDOWFO-INIZCTEOSA-N 1 1 308.447 1.861 40 0 DDABMO O=C(c1ccoc1)N1CCO[C@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228912 407253919 /nfs/dbraw/zinc/25/39/19/407253919.db2.gz QYQKUYOGGNAFJX-QGZVFWFLSA-N 1 1 320.389 1.233 40 0 DDABMO 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1.361 40 0 DDABMO O=C(NCc1cccnc1)[C@@H]1C[N@@H+](CC2CC2)Cc2ccnn21 ZINC000247499021 408481363 /nfs/dbraw/zinc/48/13/63/408481363.db2.gz PHCDPTPRAZIYHW-INIZCTEOSA-N 1 1 311.389 1.361 40 0 DDABMO COC[C@@H]1C[N@@H+](C)CC12CCN(C(=O)Cc1ccco1)CC2 ZINC000248092926 408534128 /nfs/dbraw/zinc/53/41/28/408534128.db2.gz WGUUSGUAJXFOLB-AWEZNQCLSA-N 1 1 306.406 1.639 40 0 DDABMO C[N@H+]1CCN2[C@H](CN(C(=O)NCc3ccccc3)CC2(C)C)C1 ZINC000253403421 186307525 /nfs/dbraw/zinc/30/75/25/186307525.db2.gz PUXMLSVQGWYXNU-INIZCTEOSA-N 1 1 316.449 1.606 40 0 biogenic,in-vitro DDABMO CN(C)c1cc(C[C@@H]2CNCC[N@@H+](C3CCCC3)C2)ncn1 ZINC000072355042 191128813 /nfs/dbraw/zinc/12/88/13/191128813.db2.gz YOEOAKQPSJVODK-CQSZACIVSA-N 1 1 303.454 1.549 40 0 DDABMO CN(C)c1cc(C[C@@H]2CNCC[N@H+](C3CCCC3)C2)ncn1 ZINC000072355042 191128814 /nfs/dbraw/zinc/12/88/14/191128814.db2.gz YOEOAKQPSJVODK-CQSZACIVSA-N 1 1 303.454 1.549 40 0 DDABMO CN(C)c1cc(C[C@@H]2C[NH2+]CCN(C3CCCC3)C2)ncn1 ZINC000072355042 191128815 /nfs/dbraw/zinc/12/88/15/191128815.db2.gz YOEOAKQPSJVODK-CQSZACIVSA-N 1 1 303.454 1.549 40 0 DDABMO Cc1nc(Nc2ncccn2)cc([C@H]2CCCC[N@H+]2CCO)n1 ZINC000072382629 191143300 /nfs/dbraw/zinc/14/33/00/191143300.db2.gz WXTUMLNKALGSMY-CQSZACIVSA-N 1 1 314.393 1.838 40 0 DDABMO COCc1nnc2n1CC[N@H+](Cc1ncccc1C)[C@H](C)C2 ZINC000585098489 354805676 /nfs/dbraw/zinc/80/56/76/354805676.db2.gz UBVCOJXZZWGRFJ-CYBMUJFWSA-N 1 1 301.394 1.575 40 0 DDABMO O=C(C[N@@H+]1CCC[C@@]2(CCC(=O)O2)C1)NCc1cccc(F)c1 ZINC000585282782 354823508 /nfs/dbraw/zinc/82/35/08/354823508.db2.gz HUJWMAIIQMLUKF-QGZVFWFLSA-N 1 1 320.364 1.614 40 0 DDABMO O=C(C[N@H+]1CCC[C@@]2(CCC(=O)O2)C1)NCc1cccc(F)c1 ZINC000585282782 354823512 /nfs/dbraw/zinc/82/35/12/354823512.db2.gz HUJWMAIIQMLUKF-QGZVFWFLSA-N 1 1 320.364 1.614 40 0 DDABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2cccc(-n3cccc3)c2)[C@@H]1O ZINC000585291294 354826265 /nfs/dbraw/zinc/82/62/65/354826265.db2.gz OOSZIGJIGVKCDY-KURKYZTESA-N 1 1 316.401 1.684 40 0 DDABMO CCOc1ccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)NC3)cc1 ZINC000004984488 181184367 /nfs/dbraw/zinc/18/43/67/181184367.db2.gz IYZUEEXKOQYADP-UONOGXRCSA-N 1 1 317.389 1.377 40 0 DDABMO CCOc1ccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(=O)NC3)cc1 ZINC000004984488 181184370 /nfs/dbraw/zinc/18/43/70/181184370.db2.gz IYZUEEXKOQYADP-UONOGXRCSA-N 1 1 317.389 1.377 40 0 DDABMO CNc1nccnc1[C@H]1C[N@H+](CC2(O)CCCCC2)CCO1 ZINC000257274122 203002106 /nfs/dbraw/zinc/00/21/06/203002106.db2.gz NJQSUGWQEGKLNR-CYBMUJFWSA-N 1 1 306.410 1.587 40 0 DDABMO CNc1nccnc1[C@H]1C[N@@H+](CC2(O)CCCCC2)CCO1 ZINC000257274122 203002109 /nfs/dbraw/zinc/00/21/09/203002109.db2.gz NJQSUGWQEGKLNR-CYBMUJFWSA-N 1 1 306.410 1.587 40 0 DDABMO CC1(c2ncc(C(N)=O)s2)CC[NH+](Cc2cnccn2)CC1 ZINC000257324145 203047752 /nfs/dbraw/zinc/04/77/52/203047752.db2.gz WNJKAIYVLBHTTJ-UHFFFAOYSA-N 1 1 317.418 1.586 40 0 DDABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@H]2c2ccco2)cc1OC ZINC000072227066 257123553 /nfs/dbraw/zinc/12/35/53/257123553.db2.gz FRSNDYLJWQTRKO-HUUCEWRRSA-N 1 1 302.330 1.708 40 0 DDABMO Cc1cc(C)c(N2C(=O)C[C@H](N3CC[NH+](C)CC3)C2=O)c(C)c1 ZINC000036633845 406981824 /nfs/dbraw/zinc/98/18/24/406981824.db2.gz GCJIXYODCLEMIN-HNNXBMFYSA-N 1 1 315.417 1.491 40 0 DDABMO O[C@@H]1C[N@H+](Cc2ccc(F)cc2)CC[C@H]1NCc1ccccn1 ZINC000036739958 406982557 /nfs/dbraw/zinc/98/25/57/406982557.db2.gz HXQVXGNOTVWVHN-QZTJIDSGSA-N 1 1 315.392 1.946 40 0 DDABMO O[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC[C@H]1NCc1ccccn1 ZINC000036739958 406982560 /nfs/dbraw/zinc/98/25/60/406982560.db2.gz HXQVXGNOTVWVHN-QZTJIDSGSA-N 1 1 315.392 1.946 40 0 DDABMO COC[C@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)COc1ccccc1)C2 ZINC000096216271 407251070 /nfs/dbraw/zinc/25/10/70/407251070.db2.gz NWRFJAFOYDJREE-CRAIPNDOSA-N 1 1 318.417 1.492 40 0 DDABMO Cc1cnc(N2CCC[C@]3(CCC[N@@H+]3CC(=O)N(C)C)C2)nc1 ZINC000096214886 407251303 /nfs/dbraw/zinc/25/13/03/407251303.db2.gz MLZAXIHRBSHTLB-KRWDZBQOSA-N 1 1 317.437 1.308 40 0 DDABMO C[N@H+]1CCOC[C@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096228724 407253882 /nfs/dbraw/zinc/25/38/82/407253882.db2.gz JOHPSTBXTDOWFO-MRXNPFEDSA-N 1 1 308.447 1.861 40 0 DDABMO CC(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccno3)CC[C@H]21 ZINC000096249251 407256124 /nfs/dbraw/zinc/25/61/24/407256124.db2.gz WZPHSDJZFUWYFQ-ZIAGYGMSSA-N 1 1 307.394 1.636 40 0 DDABMO Cn1cc(N2CC[C@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2=O)cn1 ZINC000096249158 407256392 /nfs/dbraw/zinc/25/63/92/407256392.db2.gz COJKDCRZHCVKCZ-BBRMVZONSA-N 1 1 311.389 1.300 40 0 DDABMO Cc1cccc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)n1 ZINC000096043415 407226674 /nfs/dbraw/zinc/22/66/74/407226674.db2.gz WTCXGCXQNIUCST-BRWVUGGUSA-N 1 1 317.433 1.705 40 0 DDABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CC12CCOCC2 ZINC000096052105 407228024 /nfs/dbraw/zinc/22/80/24/407228024.db2.gz VVGSCGVNVXQTQS-INIZCTEOSA-N 1 1 317.433 1.835 40 0 DDABMO CC(C)N(C)Cc1nnc2n1CC[N@H+](Cc1cccnc1)CC2 ZINC000096058956 407231799 /nfs/dbraw/zinc/23/17/99/407231799.db2.gz AFESEHYIJVTQOZ-UHFFFAOYSA-N 1 1 314.437 1.572 40 0 DDABMO Cn1cc(CN2CCn3cc(C[NH+]4CCCCC4)nc3C2)cn1 ZINC000096059402 407231962 /nfs/dbraw/zinc/23/19/62/407231962.db2.gz LQRSVCZCOFMUOR-UHFFFAOYSA-N 1 1 314.437 1.618 40 0 DDABMO C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccncc3F)C2)C1 ZINC000096076198 407234709 /nfs/dbraw/zinc/23/47/09/407234709.db2.gz ZLZLRMLYQOHJAP-INIZCTEOSA-N 1 1 307.369 1.405 40 0 DDABMO CCc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3CC(=O)N(C)C)o1 ZINC000096183898 407244209 /nfs/dbraw/zinc/24/42/09/407244209.db2.gz IRDSYLWUHGDTSM-LSDHHAIUSA-N 1 1 319.405 1.105 40 0 DDABMO CCc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3CC(=O)N(C)C)o1 ZINC000096183898 407244210 /nfs/dbraw/zinc/24/42/10/407244210.db2.gz IRDSYLWUHGDTSM-LSDHHAIUSA-N 1 1 319.405 1.105 40 0 DDABMO CS(=O)(=O)N[C@H]1C[N@H+](Cc2cccs2)[C@@H]2CCCO[C@@H]21 ZINC000096186851 407245996 /nfs/dbraw/zinc/24/59/96/407245996.db2.gz JOQFTRSQVDZYPL-YNEHKIRRSA-N 1 1 316.448 1.029 40 0 DDABMO CS(=O)(=O)N[C@H]1C[N@@H+](Cc2cccs2)[C@@H]2CCCO[C@@H]21 ZINC000096186851 407245999 /nfs/dbraw/zinc/24/59/99/407245999.db2.gz JOQFTRSQVDZYPL-YNEHKIRRSA-N 1 1 316.448 1.029 40 0 DDABMO COCC[N@H+]1CC[C@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000096201973 407248576 /nfs/dbraw/zinc/24/85/76/407248576.db2.gz PNVNEWMODIMBTL-MRXNPFEDSA-N 1 1 310.463 1.919 40 0 DDABMO C[N@H+]1CC[C@]2(C1)COCCN(C(=O)NCc1ccccc1)C2 ZINC000096201967 407248667 /nfs/dbraw/zinc/24/86/67/407248667.db2.gz PYXCPGHTOWINCX-QGZVFWFLSA-N 1 1 303.406 1.550 40 0 DDABMO CN(C)C(=O)C[N@H+]1CCC[C@@]12CCCN(Cc1ccccn1)C2 ZINC000096214878 407250380 /nfs/dbraw/zinc/25/03/80/407250380.db2.gz MZNVFQUREBMVEO-GOSISDBHSA-N 1 1 316.449 1.600 40 0 DDABMO CN(C)C(=O)CN1CCC[C@@]12CCC[N@H+](Cc1ccccn1)C2 ZINC000096214878 407250383 /nfs/dbraw/zinc/25/03/83/407250383.db2.gz MZNVFQUREBMVEO-GOSISDBHSA-N 1 1 316.449 1.600 40 0 DDABMO CN(C)C(=O)CN1CCC[C@@]12CCC[N@@H+](Cc1ccccn1)C2 ZINC000096214878 407250386 /nfs/dbraw/zinc/25/03/86/407250386.db2.gz MZNVFQUREBMVEO-GOSISDBHSA-N 1 1 316.449 1.600 40 0 DDABMO 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DDABMO COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cccs2)O1 ZINC000096055570 407228887 /nfs/dbraw/zinc/22/88/87/407228887.db2.gz DLXCRZWGUDEPFC-MCIONIFRSA-N 1 1 310.419 1.243 40 0 DDABMO c1cncc(C[N@@H+]2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)c1 ZINC000096056254 407229109 /nfs/dbraw/zinc/22/91/09/407229109.db2.gz POUCMKAZIIYYGZ-OKZBNKHCSA-N 1 1 317.433 1.251 40 0 DDABMO CC(C)C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)NCc2ccco2)C1 ZINC000096065588 407232741 /nfs/dbraw/zinc/23/27/41/407232741.db2.gz TWFUUHVDDUWQFN-HRCADAONSA-N 1 1 306.406 1.889 40 0 DDABMO Cn1ccnc1C[N@@H+]1CC[C@@]2(C[C@H](Nc3cccnc3)CO2)C1 ZINC000096072633 407234815 /nfs/dbraw/zinc/23/48/15/407234815.db2.gz FXMJPEOGBTYNMF-DOTOQJQBSA-N 1 1 313.405 1.661 40 0 DDABMO Cn1ccnc1C[N@H+]1CC[C@@]2(C[C@H](Nc3cccnc3)CO2)C1 ZINC000096072633 407234818 /nfs/dbraw/zinc/23/48/18/407234818.db2.gz FXMJPEOGBTYNMF-DOTOQJQBSA-N 1 1 313.405 1.661 40 0 DDABMO O=C(c1ccncc1)N1C[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC000096081439 407235028 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/nfs/dbraw/zinc/30/38/05/407303805.db2.gz POWFXXVUYPDXDC-LZWOXQAQSA-N 1 1 308.378 1.022 40 0 DDABMO Cn1ccnc1C[N@H+]1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC000107195640 407370705 /nfs/dbraw/zinc/37/07/05/407370705.db2.gz DRIVQEPGTVELJS-CRAIPNDOSA-N 1 1 310.401 1.526 40 0 DDABMO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2cnccn2)nc1 ZINC000257223806 407504903 /nfs/dbraw/zinc/50/49/03/407504903.db2.gz DYYJSVVBKIIUQT-KRWDZBQOSA-N 1 1 311.389 1.845 40 0 DDABMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2cnccn2)nc1 ZINC000257223806 407504909 /nfs/dbraw/zinc/50/49/09/407504909.db2.gz DYYJSVVBKIIUQT-KRWDZBQOSA-N 1 1 311.389 1.845 40 0 DDABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1ccccn1)C2 ZINC000225494607 407589906 /nfs/dbraw/zinc/58/99/06/407589906.db2.gz JEHRHHHTLQGCCJ-KRWDZBQOSA-N 1 1 312.417 1.988 40 0 biogenic,in-vitro DDABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1ccccn1)C2 ZINC000225494607 407589911 /nfs/dbraw/zinc/58/99/11/407589911.db2.gz JEHRHHHTLQGCCJ-KRWDZBQOSA-N 1 1 312.417 1.988 40 0 biogenic,in-vitro DDABMO Cc1nccc([C@H]2CCC[N@H+]2C2CCN(S(C)(=O)=O)CC2)n1 ZINC000257235744 407511434 /nfs/dbraw/zinc/51/14/34/407511434.db2.gz GZEUUORGIAKFAV-OAHLLOKOSA-N 1 1 324.450 1.346 40 0 DDABMO CN1CC[N@@H+](Cc2cc3ccccc3s2)C[C@@H](C(N)=O)C1 ZINC000257252160 407521014 /nfs/dbraw/zinc/52/10/14/407521014.db2.gz JTTIPMRHNKIQTQ-ZDUSSCGKSA-N 1 1 303.431 1.750 40 0 DDABMO C[N@@H+]1CCN(Cc2cc3ccccc3s2)C[C@@H](C(N)=O)C1 ZINC000257252160 407521020 /nfs/dbraw/zinc/52/10/20/407521020.db2.gz JTTIPMRHNKIQTQ-ZDUSSCGKSA-N 1 1 303.431 1.750 40 0 DDABMO C[N@H+]1CCN(Cc2cc3ccccc3s2)C[C@@H](C(N)=O)C1 ZINC000257252160 407521026 /nfs/dbraw/zinc/52/10/26/407521026.db2.gz JTTIPMRHNKIQTQ-ZDUSSCGKSA-N 1 1 303.431 1.750 40 0 DDABMO Cc1ocnc1C(=O)NCc1cnc(C)nc1[C@H]1CCC[N@@H+]1C ZINC000257263431 407525574 /nfs/dbraw/zinc/52/55/74/407525574.db2.gz LPXGQEPENQDCMD-CYBMUJFWSA-N 1 1 315.377 1.778 40 0 DDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)c1ccccc1 ZINC000408708108 418810722 /nfs/dbraw/zinc/81/07/22/418810722.db2.gz UWKSDJYJVSRGLL-GDBMZVCRSA-N 1 1 317.433 1.507 40 0 DDABMO Cc1cc(C)c(N2C(=O)C[C@@H](N3CC[NH+](C)CC3)C2=O)c(C)c1 ZINC000101274001 301183519 /nfs/dbraw/zinc/18/35/19/301183519.db2.gz GCJIXYODCLEMIN-OAHLLOKOSA-N 1 1 315.417 1.491 40 0 DDABMO CNC(=O)[C@@H]1COC[C@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]21 ZINC000097953304 332203399 /nfs/dbraw/zinc/20/33/99/332203399.db2.gz RIHXEQMVFFCPKX-BRWVUGGUSA-N 1 1 318.417 1.144 40 0 DDABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)c2cccc(C)n2)[C@H]1O ZINC000257330683 282217400 /nfs/dbraw/zinc/21/74/00/282217400.db2.gz XPLZJBZSVJXTED-FVQBIDKESA-N 1 1 314.389 1.779 40 0 DDABMO COc1ccc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C[C@@H]2C)cc1OC ZINC000072324761 191123070 /nfs/dbraw/zinc/12/30/70/191123070.db2.gz ZZNORGIHCLYKFO-NWANDNLSSA-N 1 1 306.406 1.343 40 0 DDABMO NC(=O)CN1CCC([C@@H]2CCCC[N@H+]2Cc2ccccn2)CC1 ZINC000072367849 191137003 /nfs/dbraw/zinc/13/70/03/191137003.db2.gz MQKPZEJESRFKKZ-KRWDZBQOSA-N 1 1 316.449 1.633 40 0 DDABMO CN(C)c1ccc(N2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000138908476 354124768 /nfs/dbraw/zinc/12/47/68/354124768.db2.gz PJRBMUBCJPSEJR-VXGBXAGGSA-N 1 1 311.432 1.406 40 0 DDABMO O=C(C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1)NC1CC1 ZINC000004401472 181107739 /nfs/dbraw/zinc/10/77/39/181107739.db2.gz UGVVFTADTVBREL-UHFFFAOYSA-N 1 1 322.453 1.361 40 0 DDABMO COCC[N@H+]1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104395 354808128 /nfs/dbraw/zinc/80/81/28/354808128.db2.gz LQANLTGJPBWANZ-QGZVFWFLSA-N 1 1 322.380 1.527 40 0 DDABMO CC(C)C[N@H+]1CCOC[C@@]2(CC(=O)N(c3ccncn3)C2)C1 ZINC000585105022 354808153 /nfs/dbraw/zinc/80/81/53/354808153.db2.gz YVKGPYHJZLYRCL-INIZCTEOSA-N 1 1 304.394 1.188 40 0 DDABMO CNC(=O)C[C@@]1(COC)CCC[N@H+]1Cc1ccc(Cl)cn1 ZINC000585276791 354820295 /nfs/dbraw/zinc/82/02/95/354820295.db2.gz JBHYHAWFGZJBHB-OAHLLOKOSA-N 1 1 311.813 1.852 40 0 DDABMO CN(C)c1cc([C@@H]2CCC[N@@H+](CC3(O)CCOCC3)C2)ccn1 ZINC000257279123 203007955 /nfs/dbraw/zinc/00/79/55/203007955.db2.gz OFCWCDVJHIDQOX-MRXNPFEDSA-N 1 1 319.449 1.869 40 0 DDABMO C[NH+](C)Cc1cncc([C@@H]2CCCN2C(=O)c2cscn2)n1 ZINC000257285425 203011819 /nfs/dbraw/zinc/01/18/19/203011819.db2.gz PHAYDZGYMHRWPN-AWEZNQCLSA-N 1 1 317.418 1.972 40 0 DDABMO CN(C)c1cc(CC[C@@H]2CN(Cc3ncc[nH]3)CCO2)cc[nH+]1 ZINC000257284414 203012003 /nfs/dbraw/zinc/01/20/03/203012003.db2.gz PCPKVKVKDXJQGS-OAHLLOKOSA-N 1 1 315.421 1.704 40 0 DDABMO C[N@@H+]1CCN(C(=O)CN2CCCC2=O)C[C@@H]1c1ccccc1 ZINC000257320800 203046236 /nfs/dbraw/zinc/04/62/36/203046236.db2.gz VYSMAHPEFDVGFA-OAHLLOKOSA-N 1 1 301.390 1.124 40 0 DDABMO C[N@H+]1CCN(C(=O)CN2CCCC2=O)C[C@@H]1c1ccccc1 ZINC000257320800 203046239 /nfs/dbraw/zinc/04/62/39/203046239.db2.gz VYSMAHPEFDVGFA-OAHLLOKOSA-N 1 1 301.390 1.124 40 0 DDABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)c2cscn2)[C@H]1O ZINC000257342596 203064775 /nfs/dbraw/zinc/06/47/75/203064775.db2.gz ZPKFHIZLBPMLOF-JHJVBQTASA-N 1 1 306.391 1.485 40 0 DDABMO CC(C)NC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]21 ZINC000096066325 193517147 /nfs/dbraw/zinc/51/71/47/193517147.db2.gz UPIUMDCPUWYVMO-OWCLPIDISA-N 1 1 320.437 1.172 40 0 DDABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000072227229 257122775 /nfs/dbraw/zinc/12/27/75/257122775.db2.gz FSEBTVODJKBUJL-CABCVRRESA-N 1 1 300.289 1.970 40 0 DDABMO CCCC[N@@H+](C)C[C@@H]1OC[C@H](NC(=O)Cc2ccccc2)[C@H]1O ZINC000514288650 257216659 /nfs/dbraw/zinc/21/66/59/257216659.db2.gz JUICWDCQZHARKR-XYJFISCASA-N 1 1 320.433 1.206 40 0 biogenic,in-vitro DDABMO CCCCCC[N@@H+]1C[C@H]2NS(=O)(=O)c3ccccc3O[C@H]2C1 ZINC000514290260 257215633 /nfs/dbraw/zinc/21/56/33/257215633.db2.gz WVLJRFDOYRXACB-HIFRSBDPSA-N 1 1 324.446 1.990 40 0 biogenic,in-vitro DDABMO CCCCCC[N@H+]1C[C@H]2NS(=O)(=O)c3ccccc3O[C@H]2C1 ZINC000514290260 257215635 /nfs/dbraw/zinc/21/56/35/257215635.db2.gz WVLJRFDOYRXACB-HIFRSBDPSA-N 1 1 324.446 1.990 40 0 biogenic,in-vitro DDABMO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3C)n2)ccn1 ZINC000035424777 406971745 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CCN(CC)C(=O)C[N@H+]1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257253592 407519966 /nfs/dbraw/zinc/51/99/66/407519966.db2.gz JZMOWOYZYRHPGY-SJLPKXTDSA-N 1 1 320.433 1.759 40 0 DDABMO CN1CCN(C(=O)c2cncc(C[C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000257255672 407520798 /nfs/dbraw/zinc/52/07/98/407520798.db2.gz KIKPFGKKNZGHPZ-OAHLLOKOSA-N 1 1 316.449 1.354 40 0 DDABMO Cc1ccc[nH+]c1N1CCC[C@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257264044 407527102 /nfs/dbraw/zinc/52/71/02/407527102.db2.gz LSQQPPQAFTWFCC-LBPRGKRZSA-N 1 1 320.418 1.901 40 0 DDABMO Cn1cc(C[NH+]2CC3(C2)C[C@H](Oc2ccccn2)CS3)cn1 ZINC000248147726 408540928 /nfs/dbraw/zinc/54/09/28/408540928.db2.gz SLDUHOVARDMOCP-AWEZNQCLSA-N 1 1 316.430 1.954 40 0 DDABMO C[C@@]1([NH2+]CCNCc2cccc(Cl)c2)CCS(=O)(=O)C1 ZINC000575423065 422297293 /nfs/dbraw/zinc/29/72/93/422297293.db2.gz XWVMNLKDVMONJR-CQSZACIVSA-N 1 1 316.854 1.596 40 0 DDABMO O=S1(=O)CC[C@H](NCC[NH2+]Cc2ccccc2Cl)C1 ZINC000575423222 422297324 /nfs/dbraw/zinc/29/73/24/422297324.db2.gz 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CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(F)cc1 ZINC000073742885 406893381 /nfs/dbraw/zinc/89/33/81/406893381.db2.gz XXYTXYSRMFRORM-CQSZACIVSA-N 1 1 307.369 1.042 40 0 DDABMO CC[NH+]1CCN(C(=O)CCc2nc(-c3cccnc3)no2)CC1 ZINC000046417988 407060022 /nfs/dbraw/zinc/06/00/22/407060022.db2.gz SBDOLMYJSZOCRZ-UHFFFAOYSA-N 1 1 315.377 1.228 40 0 DDABMO Cc1ccc(OCC(=O)NCCC[NH+]2CCOCC2)cc1C ZINC000047465716 407074322 /nfs/dbraw/zinc/07/43/22/407074322.db2.gz WGSUQSMRIPLGHI-UHFFFAOYSA-N 1 1 306.406 1.521 40 0 DDABMO Cn1cc(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)cn1 ZINC000096222280 407252744 /nfs/dbraw/zinc/25/27/44/407252744.db2.gz ZEGHDRBDLVCDIE-DLBZAZTESA-N 1 1 305.422 1.970 40 0 DDABMO COCC[N@H+]1CCC[C@@]2(CCN(Cc3cccc(C)n3)C2=O)C1 ZINC000096224701 407252973 /nfs/dbraw/zinc/25/29/73/407252973.db2.gz LIBSJZFJDFWUHT-GOSISDBHSA-N 1 1 317.433 1.851 40 0 DDABMO Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](CCO)CCC3(F)F)nn1 ZINC000096239822 407254710 /nfs/dbraw/zinc/25/47/10/407254710.db2.gz IFDVKRZYDSCPOW-AWEZNQCLSA-N 1 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CCOC[C@]1([NH3+])[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)CC ZINC000242649014 257120263 /nfs/dbraw/zinc/12/02/63/257120263.db2.gz RRFKYUCXGORNGX-MJBXVCDLSA-N 1 1 317.838 1.975 40 0 DDABMO CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)C1(CN)C[NH3+] ZINC000218373830 257130963 /nfs/dbraw/zinc/13/09/63/257130963.db2.gz YLZCHGYBXIGPRL-RYUDHWBXSA-N 1 1 302.827 1.144 40 0 DDABMO CCCC[N@@H+](C)C[C@@H]1OC[C@H](NC(=O)c2cccc(F)c2)[C@H]1O ZINC000514288567 257216515 /nfs/dbraw/zinc/21/65/15/257216515.db2.gz IFSHBJQKFVVGRM-HRCADAONSA-N 1 1 324.396 1.416 40 0 biogenic,in-vitro DDABMO CC[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1 ZINC000007505012 406761074 /nfs/dbraw/zinc/76/10/74/406761074.db2.gz FSUZAJQSWKUGLA-UHFFFAOYSA-N 1 1 303.406 1.301 40 0 DDABMO C1CN([C@@H]2CC[C@@H]3S[C@H]2CC[C@@H]3[NH+]2CCOCC2)CCO1 ZINC000035904208 406975878 /nfs/dbraw/zinc/97/58/78/406975878.db2.gz AISSRCQTANXUHV-FZKCQIBNSA-N 1 1 312.479 1.446 40 0 DDABMO C1CN([C@H]2CC[C@@H]3S[C@H]2CC[C@H]3[NH+]2CCOCC2)CCO1 ZINC000035904208 406975880 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ZINC000257313351 203039213 /nfs/dbraw/zinc/03/92/13/203039213.db2.gz USBAYPITLYZOKJ-HZPDHXFCSA-N 1 1 304.390 1.109 40 0 DDABMO CN(C)c1cc([C@H]2CCC[N@@H+]2CC(=O)N2CCCC2)ccn1 ZINC000257325419 203049699 /nfs/dbraw/zinc/04/96/99/203049699.db2.gz WSWMFYDJDZSGPD-OAHLLOKOSA-N 1 1 302.422 1.907 40 0 DDABMO CN(C)c1cc([C@H]2CCC[N@H+]2CC(=O)N2CCCC2)ccn1 ZINC000257325419 203049703 /nfs/dbraw/zinc/04/97/03/203049703.db2.gz WSWMFYDJDZSGPD-OAHLLOKOSA-N 1 1 302.422 1.907 40 0 DDABMO Cc1nc(C(=O)NCc2cnc(C)nc2[C@H]2CCC[N@@H+]2C)co1 ZINC000257344082 203067255 /nfs/dbraw/zinc/06/72/55/203067255.db2.gz ZVSIUOSFXKLCOS-CQSZACIVSA-N 1 1 315.377 1.778 40 0 DDABMO COc1ccc(CN2C(=O)CO[C@H]3C[N@H+](CC4CC4)C[C@H]32)cc1 ZINC000067897235 184490563 /nfs/dbraw/zinc/49/05/63/184490563.db2.gz HWIJCQSLIOVNGZ-SJORKVTESA-N 1 1 316.401 1.517 40 0 biogenic,in-vitro DDABMO O=c1[nH]c(N2CCCC2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000013267129 285195957 /nfs/dbraw/zinc/19/59/57/285195957.db2.gz OSZZGAZSAXDKAV-UHFFFAOYSA-N 1 1 310.401 1.928 40 0 DDABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccccc1F ZINC000072227593 257122838 /nfs/dbraw/zinc/12/28/38/257122838.db2.gz AWPFYJLERJRASB-CABCVRRESA-N 1 1 300.289 1.970 40 0 DDABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(F)c1 ZINC000078701482 407042442 /nfs/dbraw/zinc/04/24/42/407042442.db2.gz YSZKQPXVGXTUGO-ZDUSSCGKSA-N 1 1 307.369 1.673 40 0 DDABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)N1CCCC1)C2 ZINC000096215774 407250858 /nfs/dbraw/zinc/25/08/58/407250858.db2.gz UREIVQCDROVEGA-SJLPKXTDSA-N 1 1 321.465 1.883 40 0 DDABMO CNC(=O)C[C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3OC)C[C@H]2O1 ZINC000096218836 407251623 /nfs/dbraw/zinc/25/16/23/407251623.db2.gz DQQJXOOVYPLPTE-OFQRWUPVSA-N 1 1 304.390 1.421 40 0 DDABMO c1nnc(N2CCC[C@@]3(C2)C[N@H+](C2CCOCC2)CCO3)s1 ZINC000096226636 407254317 /nfs/dbraw/zinc/25/43/17/407254317.db2.gz LFHZHAGLJGXDTL-HNNXBMFYSA-N 1 1 324.450 1.388 40 0 DDABMO O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2cccs2)N1c1cncnc1 ZINC000096245932 407256401 /nfs/dbraw/zinc/25/64/01/407256401.db2.gz DWLWZAIODHQHLR-KGLIPLIRSA-N 1 1 300.387 1.918 40 0 DDABMO CCOCc1nnc2n1CC[N@@H+](Cc1c(C)noc1C)CC2 ZINC000096259193 407257064 /nfs/dbraw/zinc/25/70/64/407257064.db2.gz YPKLULSMIWOFMV-UHFFFAOYSA-N 1 1 305.382 1.478 40 0 DDABMO CCOCc1nnc2n1CC[N@H+](Cc1c(C)noc1C)CC2 ZINC000096259193 407257066 /nfs/dbraw/zinc/25/70/66/407257066.db2.gz YPKLULSMIWOFMV-UHFFFAOYSA-N 1 1 305.382 1.478 40 0 DDABMO COc1ccc(C[N@@H+]2CCOC[C@H](OCC(=O)N(C)C)C2)cc1 ZINC000096296511 407258675 /nfs/dbraw/zinc/25/86/75/407258675.db2.gz ICYRZCSOXVPRLZ-MRXNPFEDSA-N 1 1 322.405 1.001 40 0 biogenic,in-vitro DDABMO COc1ccc(C[N@H+]2CCOC[C@H](OCC(=O)N(C)C)C2)cc1 ZINC000096296511 407258677 /nfs/dbraw/zinc/25/86/77/407258677.db2.gz ICYRZCSOXVPRLZ-MRXNPFEDSA-N 1 1 322.405 1.001 40 0 biogenic,in-vitro DDABMO O=C(NC[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@@H]21)C1CC1 ZINC000096056272 407228861 /nfs/dbraw/zinc/22/88/61/407228861.db2.gz SMQOEWXXKZFJCH-HRCADAONSA-N 1 1 304.390 1.643 40 0 DDABMO O=C(NC1CCCC1)[C@@H]1C[C@@H]2CC[N@H+](C3CCOCC3)C[C@@H]2O1 ZINC000096065478 407233275 /nfs/dbraw/zinc/23/32/75/407233275.db2.gz YVFHRNITXCFDJN-JQFCIGGWSA-N 1 1 322.449 1.704 40 0 DDABMO c1cnc(NCc2n[nH]c3c2CC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096084118 407235750 /nfs/dbraw/zinc/23/57/50/407235750.db2.gz YACXOTODWPLFMC-UHFFFAOYSA-N 1 1 321.388 1.765 40 0 DDABMO c1cnc(NCc2n[nH]c3c2CC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096084118 407235752 /nfs/dbraw/zinc/23/57/52/407235752.db2.gz YACXOTODWPLFMC-UHFFFAOYSA-N 1 1 321.388 1.765 40 0 DDABMO Cn1ccnc1C[N@@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC000096158242 407241103 /nfs/dbraw/zinc/24/11/03/407241103.db2.gz FJMCGEIZUUXZQO-KRWDZBQOSA-N 1 1 312.421 1.703 40 0 DDABMO Cn1ccnc1C[N@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC000096158242 407241106 /nfs/dbraw/zinc/24/11/06/407241106.db2.gz FJMCGEIZUUXZQO-KRWDZBQOSA-N 1 1 312.421 1.703 40 0 DDABMO Cc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cnn(C)c2)n1 ZINC000096184602 407244297 /nfs/dbraw/zinc/24/42/97/407244297.db2.gz PSBDDWHXCMCENZ-ZWKOTPCHSA-N 1 1 311.433 1.972 40 0 DDABMO Cc1cccc(CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2cnn(C)c2)n1 ZINC000096184602 407244299 /nfs/dbraw/zinc/24/42/99/407244299.db2.gz PSBDDWHXCMCENZ-ZWKOTPCHSA-N 1 1 311.433 1.972 40 0 DDABMO Cc1cccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cnn(C)c2)n1 ZINC000096184602 407244301 /nfs/dbraw/zinc/24/43/01/407244301.db2.gz PSBDDWHXCMCENZ-ZWKOTPCHSA-N 1 1 311.433 1.972 40 0 DDABMO O=C1CC[C@H]2[C@H](CC[N@H+]2[C@@H]2CCOC2)N1Cc1ccncc1 ZINC000096186402 407245731 /nfs/dbraw/zinc/24/57/31/407245731.db2.gz CASHZOMKZVQZLY-PMPSAXMXSA-N 1 1 301.390 1.436 40 0 DDABMO c1coc(CN2CCO[C@@H]3C[N@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096207340 407249661 /nfs/dbraw/zinc/24/96/61/407249661.db2.gz XPKSEAABUIKEIZ-WMLDXEAASA-N 1 1 306.406 1.591 40 0 DDABMO O=C(C[C@@H]1C[C@H]2C[N@H+](C3CCCC3)C[C@H]2O1)N1CCCCO1 ZINC000096207778 407250189 /nfs/dbraw/zinc/25/01/89/407250189.db2.gz DOXSFFBDHHBSTM-CWRNSKLLSA-N 1 1 308.422 1.962 40 0 DDABMO COCCNC(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000107714587 407378720 /nfs/dbraw/zinc/37/87/20/407378720.db2.gz PLICQZUYANGQLV-KKUMJFAQSA-N 1 1 308.378 1.022 40 0 DDABMO COCCNC(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000107714587 407378721 /nfs/dbraw/zinc/37/87/21/407378721.db2.gz PLICQZUYANGQLV-KKUMJFAQSA-N 1 1 308.378 1.022 40 0 DDABMO c1ccc(CO[C@@H]2C[C@H]3CN(c4ncccn4)CC[N@H+]3C2)cc1 ZINC000107197910 407370552 /nfs/dbraw/zinc/37/05/52/407370552.db2.gz HVYSMBSNGDTLNB-DLBZAZTESA-N 1 1 310.401 1.956 40 0 DDABMO CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCC[N@H+]2CC(N)=O ZINC000257237098 407509360 /nfs/dbraw/zinc/50/93/60/407509360.db2.gz HFEAQYUNGXJYLI-BQFCYCMXSA-N 1 1 315.417 1.341 40 0 DDABMO COCC[NH+]1CCN(Cc2ccnc([C@H]3CCCO3)n2)CC1 ZINC000257247230 407518429 /nfs/dbraw/zinc/51/84/29/407518429.db2.gz IYBOJSLWPZGATF-OAHLLOKOSA-N 1 1 306.410 1.092 40 0 DDABMO Cc1nc(C(=O)N2CCC[C@@H]2c2cncc(C[NH+](C)C)n2)co1 ZINC000257260309 407524218 /nfs/dbraw/zinc/52/42/18/407524218.db2.gz LCGYWKIFVYMSMN-OAHLLOKOSA-N 1 1 315.377 1.812 40 0 DDABMO COc1ccc2ccccc2c1C[N@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC000257324298 407532896 /nfs/dbraw/zinc/53/28/96/407532896.db2.gz WOAXNZVIJTWAQY-IAGOWNOFSA-N 1 1 314.385 1.530 40 0 DDABMO COC[C@H]1C[N@@H+](C)CC12CCN(C(=O)Cc1ccco1)CC2 ZINC000248092933 408533605 /nfs/dbraw/zinc/53/36/05/408533605.db2.gz WGUUSGUAJXFOLB-CQSZACIVSA-N 1 1 306.406 1.639 40 0 DDABMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc2c(c1)OCO2 ZINC000299853158 410641325 /nfs/dbraw/zinc/64/13/25/410641325.db2.gz GPXOGPUSWKNCEN-HZPDHXFCSA-N 1 1 317.433 1.626 40 0 DDABMO C[N@H+]1CC[C@H](COCC2CC2)CC12CN(c1ncc(F)cn1)C2 ZINC000248143365 277163374 /nfs/dbraw/zinc/16/33/74/277163374.db2.gz QZZGLYSFGLRPAE-AWEZNQCLSA-N 1 1 320.412 1.943 40 0 DDABMO C[C@H]1C[N@@H+](C)C[C@@]12COCCN(S(=O)(=O)c1ccccc1)C2 ZINC000096202370 300222563 /nfs/dbraw/zinc/22/25/63/300222563.db2.gz BSMSAUYNLULFIO-GOEBONIOSA-N 1 1 324.446 1.275 40 0 DDABMO Cc1nc(C2CCN(C(=O)[C@@]3(C)CCCC[N@@H+]3C)CC2)no1 ZINC000072367305 191137649 /nfs/dbraw/zinc/13/76/49/191137649.db2.gz ZXWFAWTXDUVHFI-MRXNPFEDSA-N 1 1 306.410 1.958 40 0 DDABMO CN(C)C(=O)[C@]1(C)C[N@@H+](Cc2c[nH]c3ccccc23)CCO1 ZINC000072379555 191140468 /nfs/dbraw/zinc/14/04/68/191140468.db2.gz ICISXCBVABBBKQ-KRWDZBQOSA-N 1 1 301.390 1.847 40 0 DDABMO O=C1NC(=O)C2(C[NH+](C(c3ccccc3)c3ccccc3)C2)N1 ZINC000113150601 353976145 /nfs/dbraw/zinc/97/61/45/353976145.db2.gz WKSAPRZVBCMEQA-UHFFFAOYSA-N 1 1 307.353 1.670 40 0 DDABMO NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000004770559 181149712 /nfs/dbraw/zinc/14/97/12/181149712.db2.gz OVTYKIUGSFYWRG-PVAVHDDUSA-N 1 1 306.381 1.979 40 0 DDABMO NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000004770559 181149713 /nfs/dbraw/zinc/14/97/13/181149713.db2.gz OVTYKIUGSFYWRG-PVAVHDDUSA-N 1 1 306.381 1.979 40 0 DDABMO CCc1nc(C)c(C[N@H+]2CCC[C@@]2(COC)CC(=O)NC)[nH]1 ZINC000585278395 354822062 /nfs/dbraw/zinc/82/20/62/354822062.db2.gz SLWXQKUKBXRNJF-INIZCTEOSA-N 1 1 308.426 1.398 40 0 DDABMO O[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CC[C@@]12CCCO2 ZINC000257307242 203031685 /nfs/dbraw/zinc/03/16/85/203031685.db2.gz SXVBXGBNSHBDSE-IRXDYDNUSA-N 1 1 305.374 1.574 40 0 DDABMO C[N@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@@H](C(N)=O)C1 ZINC000257312980 203036457 /nfs/dbraw/zinc/03/64/57/203036457.db2.gz UQMIGZUITMKJRW-LBPRGKRZSA-N 1 1 315.339 1.554 40 0 DDABMO CN1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H](C(N)=O)C1 ZINC000257312980 203036460 /nfs/dbraw/zinc/03/64/60/203036460.db2.gz UQMIGZUITMKJRW-LBPRGKRZSA-N 1 1 315.339 1.554 40 0 DDABMO CN1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H](C(N)=O)C1 ZINC000257312980 203036463 /nfs/dbraw/zinc/03/64/63/203036463.db2.gz UQMIGZUITMKJRW-LBPRGKRZSA-N 1 1 315.339 1.554 40 0 DDABMO O=c1cc(C[C@H]2COCC[N@@H+](Cc3ncccc3F)C2)nc[nH]1 ZINC000257314598 203038329 /nfs/dbraw/zinc/03/83/29/203038329.db2.gz UXRBCPQRVBFVCZ-GFCCVEGCSA-N 1 1 318.352 1.407 40 0 DDABMO O=c1cc(C[C@H]2COCC[N@H+](Cc3ncccc3F)C2)nc[nH]1 ZINC000257314598 203038333 /nfs/dbraw/zinc/03/83/33/203038333.db2.gz UXRBCPQRVBFVCZ-GFCCVEGCSA-N 1 1 318.352 1.407 40 0 DDABMO CC(=O)N1CC[N@H+](Cc2cccc(Cl)c2)C[C@@H](C(N)=O)C1 ZINC000257324146 203048070 /nfs/dbraw/zinc/04/80/70/203048070.db2.gz WNJNQFKDEWZHHD-CYBMUJFWSA-N 1 1 309.797 1.106 40 0 DDABMO CC(=O)N1CC[N@@H+](Cc2cccc(Cl)c2)C[C@@H](C(N)=O)C1 ZINC000257324146 203048071 /nfs/dbraw/zinc/04/80/71/203048071.db2.gz WNJNQFKDEWZHHD-CYBMUJFWSA-N 1 1 309.797 1.106 40 0 DDABMO C[C@H]1c2ncc(CNC(=O)C3CC3)n2CC[N@H+]1C[C@@H]1CCOC1 ZINC000096070192 193520112 /nfs/dbraw/zinc/52/01/12/193520112.db2.gz YPMVJZHKSMBVNW-STQMWFEESA-N 1 1 318.421 1.322 40 0 DDABMO C[C@H]1c2ncc(CNC(=O)C3CC3)n2CC[N@@H+]1C[C@@H]1CCOC1 ZINC000096070192 193520114 /nfs/dbraw/zinc/52/01/14/193520114.db2.gz YPMVJZHKSMBVNW-STQMWFEESA-N 1 1 318.421 1.322 40 0 DDABMO O=C1C[C@H]([N@H+]2CCCC[C@@H]2CCO)C(=O)N1c1ccccc1F ZINC000017055205 182072996 /nfs/dbraw/zinc/07/29/96/182072996.db2.gz XHSXIGAWLHPGST-DOMZBBRYSA-N 1 1 320.364 1.695 40 0 DDABMO O=C1C[C@H]([N@@H+]2CCCC[C@@H]2CCO)C(=O)N1c1ccccc1F ZINC000017055205 182073000 /nfs/dbraw/zinc/07/30/00/182073000.db2.gz XHSXIGAWLHPGST-DOMZBBRYSA-N 1 1 320.364 1.695 40 0 DDABMO C[C@@H](NC(=O)CN1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000022816745 182336053 /nfs/dbraw/zinc/33/60/53/182336053.db2.gz AZYHOSTXORKESL-DGTBMVLOSA-N 1 1 319.493 1.955 40 0 DDABMO O=C(CCCOc1ccccc1)NCCC[NH+]1CCOCC1 ZINC000024521411 182382606 /nfs/dbraw/zinc/38/26/06/182382606.db2.gz SFOSCBMIKHVLLI-UHFFFAOYSA-N 1 1 306.406 1.684 40 0 DDABMO CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@]1([NH3+])COC ZINC000252515332 257106639 /nfs/dbraw/zinc/10/66/39/257106639.db2.gz IVEIXUKTHAQUOL-JHJVBQTASA-N 1 1 303.811 1.584 40 0 DDABMO COc1cccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000072227745 257122431 /nfs/dbraw/zinc/12/24/31/257122431.db2.gz AHYDUAMDHFHQPJ-CVEARBPZSA-N 1 1 312.325 1.839 40 0 DDABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000006953122 406745181 /nfs/dbraw/zinc/74/51/81/406745181.db2.gz OCBSHZTUYTVKHK-OAHLLOKOSA-N 1 1 303.406 1.842 40 0 DDABMO C[NH+]1CCN(c2nc(Cc3ccccc3F)cc(=O)[nH]2)CC1 ZINC000019590116 406886353 /nfs/dbraw/zinc/88/63/53/406886353.db2.gz ICOZCUOATVIPFO-UHFFFAOYSA-N 1 1 302.353 1.664 40 0 DDABMO CC[NH+]1CCN([C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 ZINC000036633910 406981971 /nfs/dbraw/zinc/98/19/71/406981971.db2.gz GUZZHPJBRLPBOH-CQSZACIVSA-N 1 1 305.353 1.095 40 0 DDABMO COCC[N@@H+]1CCOCC12CCN(C(=O)c1ccncc1)CC2 ZINC000096226168 407253676 /nfs/dbraw/zinc/25/36/76/407253676.db2.gz XXWCZPUHNBORPP-UHFFFAOYSA-N 1 1 319.405 1.035 40 0 DDABMO COCC[N@H+]1CCOCC12CCN(C(=O)c1ccncc1)CC2 ZINC000096226168 407253677 /nfs/dbraw/zinc/25/36/77/407253677.db2.gz XXWCZPUHNBORPP-UHFFFAOYSA-N 1 1 319.405 1.035 40 0 DDABMO CC(C)[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cn(C)cn3)C2)C1 ZINC000096228761 407253749 /nfs/dbraw/zinc/25/37/49/407253749.db2.gz PFGAMIAJEQKSHE-KRWDZBQOSA-N 1 1 320.437 1.383 40 0 DDABMO CN(C)CC[N@H+]1CCCC12CCN(C(=O)c1ccncc1)CC2 ZINC000096227907 407254371 /nfs/dbraw/zinc/25/43/71/407254371.db2.gz NKPAZAFKJQTGQS-UHFFFAOYSA-N 1 1 316.449 1.714 40 0 DDABMO O=C(NCc1ccccc1)[C@H]1C[C@@H]2C[N@@H+](CC3CC3)C[C@H]1O2 ZINC000096253448 407257103 /nfs/dbraw/zinc/25/71/03/407257103.db2.gz GCKJZLASPADASH-IXDOHACOSA-N 1 1 300.402 1.802 40 0 DDABMO Cn1cc(C[N@H+]2Cc3c(cnn3C)[C@H](COCC3CC3)C2)cn1 ZINC000096044636 407226307 /nfs/dbraw/zinc/22/63/07/407226307.db2.gz HBILMVLEHUUPKS-HNNXBMFYSA-N 1 1 315.421 1.680 40 0 DDABMO Cn1cc(C[N@@H+]2Cc3c(cnn3C)[C@H](COCC3CC3)C2)cn1 ZINC000096044636 407226309 /nfs/dbraw/zinc/22/63/09/407226309.db2.gz HBILMVLEHUUPKS-HNNXBMFYSA-N 1 1 315.421 1.680 40 0 DDABMO O=C1CO[C@]2(CN1c1ccccc1)COCC[N@@H+](CC1CC1)C2 ZINC000096051280 407228329 /nfs/dbraw/zinc/22/83/29/407228329.db2.gz FBEJXDCZNMDNIB-GOSISDBHSA-N 1 1 316.401 1.531 40 0 DDABMO c1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C[C@@H]2CCCO2)ccn1 ZINC000096054348 407229288 /nfs/dbraw/zinc/22/92/88/407229288.db2.gz MDUDVXMBYWJNLD-BBWFWOEESA-N 1 1 303.406 1.146 40 0 DDABMO c1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C[C@@H]2CCCO2)ccn1 ZINC000096054348 407229290 /nfs/dbraw/zinc/22/92/90/407229290.db2.gz MDUDVXMBYWJNLD-BBWFWOEESA-N 1 1 303.406 1.146 40 0 DDABMO C[N@@H+](C[C@@H]1CO[C@@]2(C1)CCCN(c1cnccn1)C2)C1CC1 ZINC000096075664 407234722 /nfs/dbraw/zinc/23/47/22/407234722.db2.gz DEUUHZDOQBKSCA-RHSMWYFYSA-N 1 1 302.422 1.946 40 0 DDABMO CO[C@H]1CCN(C(=O)C2CC2)[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000096109487 407237892 /nfs/dbraw/zinc/23/78/92/407237892.db2.gz XWZZUFSLXMPBOJ-BBWFWOEESA-N 1 1 315.417 1.539 40 0 DDABMO CN(C)C(=O)COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1nccs1)C2 ZINC000096109162 407238169 /nfs/dbraw/zinc/23/81/69/407238169.db2.gz HHDFDTYKMYRVGH-CJNGLKHVSA-N 1 1 323.462 1.850 40 0 DDABMO CCOCC(=O)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096157423 407241682 /nfs/dbraw/zinc/24/16/82/407241682.db2.gz ORRPDMCWEFDZMZ-UHFFFAOYSA-N 1 1 317.433 1.933 40 0 DDABMO 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CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCC[N@H+]2Cc1ncc[nH]1 ZINC000585290523 354825089 /nfs/dbraw/zinc/82/50/89/354825089.db2.gz FCICOHAXSZTUAO-BLLLJJGKSA-N 1 1 306.410 1.448 40 0 DDABMO CNc1nccnc1[C@@H]1C[N@H+](CC2(O)CCCCC2)CCO1 ZINC000257274123 203001574 /nfs/dbraw/zinc/00/15/74/203001574.db2.gz NJQSUGWQEGKLNR-ZDUSSCGKSA-N 1 1 306.410 1.587 40 0 DDABMO CNc1nccnc1[C@@H]1C[N@@H+](CC2(O)CCCCC2)CCO1 ZINC000257274123 203001577 /nfs/dbraw/zinc/00/15/77/203001577.db2.gz NJQSUGWQEGKLNR-ZDUSSCGKSA-N 1 1 306.410 1.587 40 0 DDABMO [NH3+]C[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257284051 203012460 /nfs/dbraw/zinc/01/24/60/203012460.db2.gz PBBNJGNEXVGBIC-OKZBNKHCSA-N 1 1 304.434 1.519 40 0 DDABMO [NH3+][C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000072227227 257122673 /nfs/dbraw/zinc/12/26/73/257122673.db2.gz FSEBTVODJKBUJL-GJZGRUSLSA-N 1 1 300.289 1.970 40 0 DDABMO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@H+](C)C[C@H]2N(C)C3=O)cn1 ZINC000514289641 257215698 /nfs/dbraw/zinc/21/56/98/257215698.db2.gz MQEIMHBIIRLOTF-ZBFHGGJFSA-N 1 1 312.373 1.234 40 0 biogenic,in-vitro DDABMO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@@H+](C)C[C@H]2N(C)C3=O)cn1 ZINC000514289641 257215700 /nfs/dbraw/zinc/21/57/00/257215700.db2.gz MQEIMHBIIRLOTF-ZBFHGGJFSA-N 1 1 312.373 1.234 40 0 biogenic,in-vitro DDABMO CCc1[nH+]ccn1CC(=O)NCc1noc(-c2ccccc2)n1 ZINC000012143798 406835470 /nfs/dbraw/zinc/83/54/70/406835470.db2.gz OZXRHJWOOUTVHQ-UHFFFAOYSA-N 1 1 311.345 1.812 40 0 DDABMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000027530299 406911562 /nfs/dbraw/zinc/91/15/62/406911562.db2.gz OAZICWNFIBMFIC-UKRRQHHQSA-N 1 1 307.390 1.945 40 0 DDABMO CCCc1nnc([C@H]2CC[N@H+](C3CCN(C(C)=O)CC3)C2)o1 ZINC000049170358 407116757 /nfs/dbraw/zinc/11/67/57/407116757.db2.gz HGDCHMLDCBKLIZ-ZDUSSCGKSA-N 1 1 306.410 1.822 40 0 biogenic,in-vitro DDABMO CC(C)Nc1nc(N(C)C)c2c([nH+]1)CCN(c1ncccn1)C2 ZINC000096254039 407257519 /nfs/dbraw/zinc/25/75/19/407257519.db2.gz VRFPAFWXHJMGAR-UHFFFAOYSA-N 1 1 313.409 1.716 40 0 DDABMO O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC000096040663 407225465 /nfs/dbraw/zinc/22/54/65/407225465.db2.gz FPWSCBTXCRYQLK-IMJJTQAJSA-N 1 1 316.405 1.096 40 0 DDABMO O=C([C@@H]1C[C@@H]2CC[N@@H+](CC3CCOCC3)C[C@@H]2O1)N1CCCC1 ZINC000096040994 407225580 /nfs/dbraw/zinc/22/55/80/407225580.db2.gz WKJSHPCBPJBKEA-ULQDDVLXSA-N 1 1 322.449 1.515 40 0 DDABMO c1csc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)n1 ZINC000096047716 407226841 /nfs/dbraw/zinc/22/68/41/407226841.db2.gz TUOGGBCLRAUXOH-IUODEOHRSA-N 1 1 317.418 1.779 40 0 DDABMO c1csc(C[N@H+]2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)n1 ZINC000096047716 407226842 /nfs/dbraw/zinc/22/68/42/407226842.db2.gz TUOGGBCLRAUXOH-IUODEOHRSA-N 1 1 317.418 1.779 40 0 DDABMO CS(=O)(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1ccccn1)C2 ZINC000096047426 407227600 /nfs/dbraw/zinc/22/76/00/407227600.db2.gz KHWPHZOZWQKUQI-INIZCTEOSA-N 1 1 323.462 1.862 40 0 DDABMO c1cnc(N2CCOC[C@]3(CCC[N@H+](CC4CC4)C3)C2)cn1 ZINC000096049651 407228324 /nfs/dbraw/zinc/22/83/24/407228324.db2.gz PDKQHAJVIDOJNE-KRWDZBQOSA-N 1 1 302.422 1.805 40 0 DDABMO O=C1[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054638 407229104 /nfs/dbraw/zinc/22/91/04/407229104.db2.gz HRELOQWIDAZNFM-WMZOPIPTSA-N 1 1 322.412 1.957 40 0 DDABMO C(OCC1CC1)c1nnn2c1C[N@@H+](CC1CCOCC1)CCC2 ZINC000096058856 407230472 /nfs/dbraw/zinc/23/04/72/407230472.db2.gz XNRKJRLFRWYXRK-UHFFFAOYSA-N 1 1 320.437 1.837 40 0 DDABMO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccco2)O1)N1CCOCC1 ZINC000096057489 407230561 /nfs/dbraw/zinc/23/05/61/407230561.db2.gz TUNKWYKOCOMDEA-BZUAXINKSA-N 1 1 320.389 1.260 40 0 DDABMO c1ccc(COC[C@]23COC[C@H]2C[N@H+](C2CCOCC2)C3)nc1 ZINC000096109021 407237723 /nfs/dbraw/zinc/23/77/23/407237723.db2.gz GPQJYCJLAJYVKI-QAPCUYQASA-N 1 1 318.417 1.726 40 0 DDABMO CNC(=O)[C@@H](C1CCCCC1)[N@H+]1CCC[C@H]1C(=O)N1CCC1 ZINC000096112997 407238996 /nfs/dbraw/zinc/23/89/96/407238996.db2.gz ZJLJGDVXNVWRGM-LSDHHAIUSA-N 1 1 307.438 1.378 40 0 biogenic,in-vitro DDABMO CC(C)[N@@H+](C)C[C@H]1OC[C@@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC000096185409 407244730 /nfs/dbraw/zinc/24/47/30/407244730.db2.gz DPCADZJMYRKLKW-OFQRWUPVSA-N 1 1 305.422 1.832 40 0 DDABMO CCN(CC)Cc1cnc2n1CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096196836 407246954 /nfs/dbraw/zinc/24/69/54/407246954.db2.gz VTLZAYQCAMSRSF-OAHLLOKOSA-N 1 1 306.454 1.620 40 0 DDABMO CCN(CC)Cc1cnc2n1CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000096196836 407246957 /nfs/dbraw/zinc/24/69/57/407246957.db2.gz VTLZAYQCAMSRSF-OAHLLOKOSA-N 1 1 306.454 1.620 40 0 DDABMO O=C(C1CCOCC1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccn1 ZINC000107768481 407379233 /nfs/dbraw/zinc/37/92/33/407379233.db2.gz QBZZIQLVHYUJEC-IAGOWNOFSA-N 1 1 315.417 1.683 40 0 DDABMO COc1ncccc1CN1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC000107198933 407370436 /nfs/dbraw/zinc/37/04/36/407370436.db2.gz RHBSKZYEZKBUBK-CVEARBPZSA-N 1 1 304.438 1.300 40 0 DDABMO COc1ncccc1CN1CC[C@@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC000107198933 407370437 /nfs/dbraw/zinc/37/04/37/407370437.db2.gz RHBSKZYEZKBUBK-CVEARBPZSA-N 1 1 304.438 1.300 40 0 DDABMO COc1ncccc1CN1CC[C@@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC000107198933 407370439 /nfs/dbraw/zinc/37/04/39/407370439.db2.gz RHBSKZYEZKBUBK-CVEARBPZSA-N 1 1 304.438 1.300 40 0 DDABMO COCC[NH+]1CCN(Cc2cnc([C@@H]3CCCCO3)nc2)CC1 ZINC000257207269 407494820 /nfs/dbraw/zinc/49/48/20/407494820.db2.gz BHAVTPCLPDMRFZ-INIZCTEOSA-N 1 1 320.437 1.482 40 0 DDABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2n[nH]cc2C)C1 ZINC000257224576 407503878 /nfs/dbraw/zinc/50/38/78/407503878.db2.gz FCJJAAIVXTYXSG-ZDUSSCGKSA-N 1 1 301.394 1.883 40 0 DDABMO CNC(=O)[C@H]1CN(CC2=Cc3ccccc3OC2)CC[N@@H+](C)C1 ZINC000257236665 407510853 /nfs/dbraw/zinc/51/08/53/407510853.db2.gz HDDJYJKGQPQFQZ-MRXNPFEDSA-N 1 1 315.417 1.072 40 0 DDABMO CNC(=O)[C@@H]1CN(C)CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000257236665 407510858 /nfs/dbraw/zinc/51/08/58/407510858.db2.gz HDDJYJKGQPQFQZ-MRXNPFEDSA-N 1 1 315.417 1.072 40 0 DDABMO CNC(=O)[C@@H]1CN(C)CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000257236665 407510861 /nfs/dbraw/zinc/51/08/61/407510861.db2.gz HDDJYJKGQPQFQZ-MRXNPFEDSA-N 1 1 315.417 1.072 40 0 DDABMO CCOc1ccccc1CN1CC[N@@H+](C)C[C@@H](C(=O)NC)C1 ZINC000257285250 407529177 /nfs/dbraw/zinc/52/91/77/407529177.db2.gz PGHLTMHSAKRBIA-OAHLLOKOSA-N 1 1 305.422 1.195 40 0 DDABMO CCOc1ccccc1C[N@@H+]1CCN(C)C[C@@H](C(=O)NC)C1 ZINC000257285250 407529184 /nfs/dbraw/zinc/52/91/84/407529184.db2.gz PGHLTMHSAKRBIA-OAHLLOKOSA-N 1 1 305.422 1.195 40 0 DDABMO CCOc1ccccc1C[N@H+]1CCN(C)C[C@@H](C(=O)NC)C1 ZINC000257285250 407529193 /nfs/dbraw/zinc/52/91/93/407529193.db2.gz PGHLTMHSAKRBIA-OAHLLOKOSA-N 1 1 305.422 1.195 40 0 DDABMO COCC(=O)NCC[C@H]1C[N@@H+](CC2CCC2)Cc2ccnn21 ZINC000247856086 408513488 /nfs/dbraw/zinc/51/34/88/408513488.db2.gz UEOVZRMBXHOTNU-AWEZNQCLSA-N 1 1 306.410 1.193 40 0 DDABMO C[NH+]1CCN(c2nc(N)c(Br)c(Cl)n2)CC1 ZINC000001617170 273900916 /nfs/dbraw/zinc/90/09/16/273900916.db2.gz JXTHAGZLFHEXKF-UHFFFAOYSA-N 1 1 306.595 1.227 40 0 DDABMO CCN1[C@H]2CC[N@@H+](C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145744 276254413 /nfs/dbraw/zinc/25/44/13/276254413.db2.gz FRFREFZVDVREFS-STQMWFEESA-N 1 1 310.419 1.552 40 0 DDABMO CN1c2ccccc2[C@@]2(NC(=[NH2+])Nc3nc4ccccc4n32)C1=O ZINC000022239220 290321615 /nfs/dbraw/zinc/32/16/15/290321615.db2.gz GEMCBACTOOZKCZ-KRWDZBQOSA-N 1 1 318.340 1.263 40 0 DDABMO