smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(F)c(C[N@H+](Cc2sccc2C)C[C@H](C)O)c1 ZINC000013991670 1022011695 /nfs/dbraw/zinc/01/16/95/1022011695.db2.gz IXOMUNIHWCAFFA-ZDUSSCGKSA-N 1 1 323.433 3.587 40 0 DHABMO CC[C@H]1C[C@H]2C[C@H]3c4c(c5cc(OC)ccc5n4C)CC[N@H+](C2)[C@@H]31 ZINC000002029101 1024552078 /nfs/dbraw/zinc/55/20/78/1024552078.db2.gz GZIPIZQXYGKJCX-UQFOYQTNSA-N 1 1 324.468 3.947 40 0 DHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(C)ccc1C ZINC000143245190 186033529 /nfs/dbraw/zinc/03/35/29/186033529.db2.gz MREBHQPOWWCLTR-UHFFFAOYSA-N 1 1 319.408 3.728 40 0 DHABMO C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358371 191130562 /nfs/dbraw/zinc/13/05/62/191130562.db2.gz AIOIUVPPLNEVHV-CYBMUJFWSA-N 1 1 321.346 3.972 40 0 DHABMO c1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390020 191147620 /nfs/dbraw/zinc/14/76/20/191147620.db2.gz MJZWAHGUYMPAIA-MRXNPFEDSA-N 1 1 320.396 3.511 40 0 DHABMO Fc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1 ZINC000072395172 191149207 /nfs/dbraw/zinc/14/92/07/191149207.db2.gz FHDIBVUVCMAZNG-ZWKOTPCHSA-N 1 1 321.399 3.932 40 0 DHABMO COc1ccc(/C=C\[C@H](O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000004934873 181174783 /nfs/dbraw/zinc/17/47/83/181174783.db2.gz GDNSQQLLCBYQEJ-RZFAWWKGSA-N 1 1 315.457 3.581 40 0 DHABMO CC(C)[N@@H+](C)CCOC(=O)[C@@H](c1ccccc1)C1CCCC1 ZINC000005962880 181301630 /nfs/dbraw/zinc/30/16/30/181301630.db2.gz RGWSLNIQOSVCQW-SFHVURJKSA-N 1 1 303.446 3.844 40 0 DHABMO Cc1cc(OC[C@H](O)C[N@H+](C)C2CCCCC2)ccc1Cl ZINC000006008666 181305848 /nfs/dbraw/zinc/30/58/48/181305848.db2.gz GGVNPHJWWXXEJG-OAHLLOKOSA-N 1 1 311.853 3.653 40 0 DHABMO CC[C@@H](OC[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000006356107 181333979 /nfs/dbraw/zinc/33/39/79/181333979.db2.gz FWILNCFMKJDLDO-UKBAYJJMSA-N 1 1 305.462 3.778 40 0 DHABMO CC(=O)N1CCCCC[C@@H]2[N@@H+](C)[C@H](c3ccccc3)C[C@@]21C ZINC000257274277 203001545 /nfs/dbraw/zinc/00/15/45/203001545.db2.gz NKHPCNWRNRFISU-FHWLQOOXSA-N 1 1 300.446 3.613 40 0 DHABMO c1ncc(C[N@@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)s1 ZINC000257272819 203001559 /nfs/dbraw/zinc/00/15/59/203001559.db2.gz NDZMJIFTPZZVGF-CQSZACIVSA-N 1 1 309.438 3.756 40 0 DHABMO Cc1nc2sccn2c1C[N@@H+]1CCc2sccc2[C@H]1C ZINC000019555083 182130059 /nfs/dbraw/zinc/13/00/59/182130059.db2.gz MKQAJKDRMLZDOA-LLVKDONJSA-N 1 1 303.456 3.885 40 0 DHABMO Cc1nc2sccn2c1C[N@H+]1CCc2sccc2[C@H]1C ZINC000019555083 182130061 /nfs/dbraw/zinc/13/00/61/182130061.db2.gz MKQAJKDRMLZDOA-LLVKDONJSA-N 1 1 303.456 3.885 40 0 DHABMO C[C@@H]1CCCN(C(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000020485994 182223112 /nfs/dbraw/zinc/22/31/12/182223112.db2.gz CKEJEBVIPPRBQU-IAGOWNOFSA-N 1 1 314.473 3.791 40 0 DHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NC(C(C)C)C(C)C)cc1 ZINC000038849203 183011046 /nfs/dbraw/zinc/01/10/46/183011046.db2.gz SNTYOHFWLGRXNI-UHFFFAOYSA-N 1 1 313.445 3.650 40 0 DHABMO Cc1[nH+]c(N(C)C)ccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072218777 257124024 /nfs/dbraw/zinc/12/40/24/257124024.db2.gz YMCUMJBAVUWBML-GOSISDBHSA-N 1 1 323.440 3.823 40 0 DHABMO CCCC[N@H+]1CCCC[C@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219425 257124633 /nfs/dbraw/zinc/12/46/33/257124633.db2.gz XCMSHKSUDFNSKQ-SFHVURJKSA-N 1 1 317.477 3.554 40 0 DHABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1CC ZINC000072214790 257125877 /nfs/dbraw/zinc/12/58/77/257125877.db2.gz LKDPMAMQXKACMM-HNNXBMFYSA-N 1 1 319.449 4.000 40 0 DHABMO CC[N@H+]1CCCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214515 257125908 /nfs/dbraw/zinc/12/59/08/257125908.db2.gz ZDVKJQRKFCQYSR-HNNXBMFYSA-N 1 1 319.449 4.000 40 0 DHABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1C ZINC000072214783 257126083 /nfs/dbraw/zinc/12/60/83/257126083.db2.gz LSHVDJPNNJFOJH-AWEZNQCLSA-N 1 1 305.422 3.610 40 0 DHABMO CC[N@H+]1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214395 257126706 /nfs/dbraw/zinc/12/67/06/257126706.db2.gz HAUNIPIPAFSPKJ-AWEZNQCLSA-N 1 1 305.422 3.976 40 0 DHABMO Cc1cccc([C@]2(O)CCC[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]32)c1 ZINC000248119720 341373550 /nfs/dbraw/zinc/37/35/50/341373550.db2.gz WZKXWNXCIGMSRI-CEWLAPEOSA-N 1 1 322.452 3.510 40 0 DHABMO COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)[N@H+]2Cc2cccnc2)c1 ZINC000012085288 563361905 /nfs/dbraw/zinc/36/19/05/563361905.db2.gz XAGFKPXRNZMYRL-UWVAXJGDSA-N 1 1 324.424 3.522 40 0 DHABMO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1ccc(OC(C)C)cc1 ZINC000012186473 563364099 /nfs/dbraw/zinc/36/40/99/563364099.db2.gz OIUYRKDEEHHPFT-OXJNMPFZSA-N 1 1 323.440 3.834 40 0 DHABMO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1ccc(OC(C)C)cc1 ZINC000012186473 563364101 /nfs/dbraw/zinc/36/41/01/563364101.db2.gz OIUYRKDEEHHPFT-OXJNMPFZSA-N 1 1 323.440 3.834 40 0 DHABMO c1cncc(-c2nccc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)n2)c1 ZINC000012670946 563372119 /nfs/dbraw/zinc/37/21/19/563372119.db2.gz QOPIFIMHBKCQAS-QAPCUYQASA-N 1 1 308.429 3.693 40 0 DHABMO Nc1nc(N)c2cc(Sc3ccc(Cl)cc3)ccc2[nH+]1 ZINC000013207519 563420838 /nfs/dbraw/zinc/42/08/38/563420838.db2.gz OFGRXGJDGPQWBD-UHFFFAOYSA-N 1 1 302.790 3.599 40 0 DHABMO [NH3+]CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000031939056 563441242 /nfs/dbraw/zinc/44/12/42/563441242.db2.gz WCOJQKOAFOCPQO-UHFFFAOYSA-N 1 1 323.390 3.818 40 0 DHABMO CCOc1ccc([C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1Cl ZINC000031911877 563441325 /nfs/dbraw/zinc/44/13/25/563441325.db2.gz OMDIBWATEJSJEB-KRWDZBQOSA-N 1 1 319.832 3.904 40 0 DHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N(C)c2ccccc2)cc1 ZINC000044910341 563464247 /nfs/dbraw/zinc/46/42/47/563464247.db2.gz IMRXIKUUMYUCBO-UHFFFAOYSA-N 1 1 305.381 3.516 40 0 DHABMO CC[C@@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1 ZINC000585100196 563517102 /nfs/dbraw/zinc/51/71/02/563517102.db2.gz HLMHPFIYXBXSAN-XLIONFOSSA-N 1 1 314.473 3.832 40 0 DHABMO COc1ccc(C[N@@H+]2CC[C@@H](OC)[C@@H]2Cc2ccccc2)cc1 ZINC000096061576 563531990 /nfs/dbraw/zinc/53/19/90/563531990.db2.gz FJLMUHBVMNEAFZ-VQTJNVASSA-N 1 1 311.425 3.527 40 0 DHABMO c1cc(C[N@@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)co1 ZINC000096061585 563532303 /nfs/dbraw/zinc/53/23/03/563532303.db2.gz BBLYVSASGMNVFO-VQTJNVASSA-N 1 1 311.425 3.892 40 0 DHABMO [NH3+][C@@H](c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1)c1ccccc1 ZINC000095533449 563567760 /nfs/dbraw/zinc/56/77/60/563567760.db2.gz OVQTWHYWIBDAJJ-CYBMUJFWSA-N 1 1 318.302 3.539 40 0 DHABMO Fc1ccccc1-c1nnc([C@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC000049170532 563700966 /nfs/dbraw/zinc/70/09/66/563700966.db2.gz YZTFCVVGTKCHQO-ZDUSSCGKSA-N 1 1 315.392 3.998 40 0 biogenic,in-vitro DHABMO CC(C)[C@H](C)NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225213976 563750220 /nfs/dbraw/zinc/75/02/20/563750220.db2.gz GIEICFOSJOJGJH-CVEARBPZSA-N 1 1 302.462 3.693 40 0 DHABMO CC(C)[C@@H](C)NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225213938 563750482 /nfs/dbraw/zinc/75/04/82/563750482.db2.gz GIEICFOSJOJGJH-HZPDHXFCSA-N 1 1 302.462 3.693 40 0 DHABMO Cc1csc(-c2cc(C)nc([C@H]3CCC[N@H+](C(C)C)C3)n2)n1 ZINC000257332367 563792498 /nfs/dbraw/zinc/79/24/98/563792498.db2.gz XWZARYMOXQQPLU-AWEZNQCLSA-N 1 1 316.474 3.805 40 0 DHABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](CC4CCCCC4)C3)nc2c1 ZINC000035446748 563867027 /nfs/dbraw/zinc/86/70/27/563867027.db2.gz UBZBSXLGDJZDMT-HNNXBMFYSA-N 1 1 313.445 3.941 40 0 biogenic,in-vitro DHABMO COc1ccc2nc([C@H]3CC[N@H+](CC4CCCCC4)C3)[nH]c2c1 ZINC000035446748 563867030 /nfs/dbraw/zinc/86/70/30/563867030.db2.gz UBZBSXLGDJZDMT-HNNXBMFYSA-N 1 1 313.445 3.941 40 0 biogenic,in-vitro DHABMO COc1ccc2nc([C@H]3CC[N@@H+](CC4CCCCC4)C3)[nH]c2c1 ZINC000035446748 563867031 /nfs/dbraw/zinc/86/70/31/563867031.db2.gz UBZBSXLGDJZDMT-HNNXBMFYSA-N 1 1 313.445 3.941 40 0 biogenic,in-vitro DHABMO COc1ccc(C[N@H+]2CC[C@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000035446542 563867418 /nfs/dbraw/zinc/86/74/18/563867418.db2.gz TVPTVJLEVWLYNH-INIZCTEOSA-N 1 1 321.424 3.869 40 0 biogenic,in-vitro DHABMO COc1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000035446542 563867420 /nfs/dbraw/zinc/86/74/20/563867420.db2.gz TVPTVJLEVWLYNH-INIZCTEOSA-N 1 1 321.424 3.869 40 0 biogenic,in-vitro DHABMO COc1ccc(C[N@H+]2CC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000035446542 563867422 /nfs/dbraw/zinc/86/74/22/563867422.db2.gz TVPTVJLEVWLYNH-INIZCTEOSA-N 1 1 321.424 3.869 40 0 biogenic,in-vitro DHABMO C[N@H+]1CCCCC[C@@H]2N(C(=O)CC3CCCCC3)CC[C@@]21C ZINC000019713417 563922803 /nfs/dbraw/zinc/92/28/03/563922803.db2.gz VTGUYMITJBJSAY-HKUYNNGSSA-N 1 1 306.494 3.822 40 0 DHABMO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)C1 ZINC000036067876 563923151 /nfs/dbraw/zinc/92/31/51/563923151.db2.gz CKEJEBVIPPRBQU-SJORKVTESA-N 1 1 314.473 3.791 40 0 DHABMO c1ccc2c(c1)cncc2C[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000072367969 191137749 /nfs/dbraw/zinc/13/77/49/191137749.db2.gz WZWMNFIANIMUCR-INIZCTEOSA-N 1 1 303.409 3.694 40 0 DHABMO c1cn(-c2cccc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)cn1 ZINC000072378657 191141681 /nfs/dbraw/zinc/14/16/81/191141681.db2.gz ARYAAYBLDYTALS-SFHVURJKSA-N 1 1 318.424 3.647 40 0 DHABMO C[C@H]1CCC[N@@H+](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000003564623 181035178 /nfs/dbraw/zinc/03/51/78/181035178.db2.gz FXLKDKLLSAGXGV-KRWDZBQOSA-N 1 1 322.452 3.624 40 0 DHABMO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000257276644 203003347 /nfs/dbraw/zinc/00/33/47/203003347.db2.gz NUOPTTVKRXAHDD-CQSZACIVSA-N 1 1 323.362 3.737 40 0 DHABMO Cc1cn(C)c([C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000257276643 203005037 /nfs/dbraw/zinc/00/50/37/203005037.db2.gz NUOPTTVKRXAHDD-AWEZNQCLSA-N 1 1 323.362 3.737 40 0 DHABMO CN(C)c1cccc(CC[C@@H]2CCCC[N@H+]2Cc2cccnc2)n1 ZINC000257286939 203013607 /nfs/dbraw/zinc/01/36/07/203013607.db2.gz PNSPYMUGHLRQGI-IBGZPJMESA-N 1 1 324.472 3.530 40 0 DHABMO COc1ccc(C[N@H+]2CCC[C@H]2c2cc3cccnc3[nH]2)cc1 ZINC000012236403 181742887 /nfs/dbraw/zinc/74/28/87/181742887.db2.gz LSBHUEHEOSZKOE-SFHVURJKSA-N 1 1 307.397 3.909 40 0 DHABMO CCc1ccc2nc(NC(=O)C[NH+]3CCCCCC3)sc2c1 ZINC000016740503 182059523 /nfs/dbraw/zinc/05/95/23/182059523.db2.gz LDZWNWSVVREZGG-UHFFFAOYSA-N 1 1 317.458 3.673 40 0 DHABMO c1cc(-c2noc([C@@H]3CC[N@H+](CC4CCCCC4)C3)n2)ccn1 ZINC000019405871 182121629 /nfs/dbraw/zinc/12/16/29/182121629.db2.gz AATCIHJDOVYKNY-MRXNPFEDSA-N 1 1 312.417 3.501 40 0 DHABMO c1cc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccn3)o2)cs1 ZINC000019403391 182122025 /nfs/dbraw/zinc/12/20/25/182122025.db2.gz VRXTXHAWAOSVCW-CQSZACIVSA-N 1 1 312.398 3.530 40 0 DHABMO c1cc(C[N@H+]2CCC[C@@H]2c2nnc(-c3ccccn3)o2)cs1 ZINC000019403391 182122027 /nfs/dbraw/zinc/12/20/27/182122027.db2.gz VRXTXHAWAOSVCW-CQSZACIVSA-N 1 1 312.398 3.530 40 0 DHABMO Cc1nn(C)cc1C[N@H+]1C[C@@H](c2ccccc2)C2(CCCC2)C1 ZINC000019583732 182132272 /nfs/dbraw/zinc/13/22/72/182132272.db2.gz UQWQSJGPWLYRMU-IBGZPJMESA-N 1 1 309.457 3.888 40 0 DHABMO C[C@@H]1CCCN(C(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000020485997 182223035 /nfs/dbraw/zinc/22/30/35/182223035.db2.gz CKEJEBVIPPRBQU-DLBZAZTESA-N 1 1 314.473 3.791 40 0 DHABMO Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000028245130 182516922 /nfs/dbraw/zinc/51/69/22/182516922.db2.gz BJYXWUFILFJLLD-RTBURBONSA-N 1 1 317.392 3.923 40 0 DHABMO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cccnc1 ZINC000043277827 183350820 /nfs/dbraw/zinc/35/08/20/183350820.db2.gz MKHYURZEBMSGLI-UHFFFAOYSA-N 1 1 324.403 3.510 40 0 DHABMO Fc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cccnc1 ZINC000043277827 183350822 /nfs/dbraw/zinc/35/08/22/183350822.db2.gz MKHYURZEBMSGLI-UHFFFAOYSA-N 1 1 324.403 3.510 40 0 DHABMO Cc1cc(C)cc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000044080846 183394107 /nfs/dbraw/zinc/39/41/07/183394107.db2.gz GBNCMPMAVAXBOY-CQSZACIVSA-N 1 1 319.518 3.712 40 0 DHABMO Cc1[nH+]c(N(C)C)ccc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072218737 257123914 /nfs/dbraw/zinc/12/39/14/257123914.db2.gz REUUIBBYZJSEQX-AWEZNQCLSA-N 1 1 305.422 3.528 40 0 DHABMO CNc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000072219128 257124202 /nfs/dbraw/zinc/12/42/02/257124202.db2.gz GBXGTIRNLURGME-AWEZNQCLSA-N 1 1 305.422 3.894 40 0 DHABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214379 257125962 /nfs/dbraw/zinc/12/59/62/257125962.db2.gz YAWHDDMFCOZZIY-CQSZACIVSA-N 1 1 305.422 3.976 40 0 DHABMO COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2ccccn2)c1 ZINC000012085264 563361546 /nfs/dbraw/zinc/36/15/46/563361546.db2.gz YBKLQPLDFPGHIL-XAUMDUMWSA-N 1 1 324.424 3.522 40 0 DHABMO CCCc1ccc(C[N@H+](C)Cc2[nH]nc3c2CCCC3)s1 ZINC000012147145 563363302 /nfs/dbraw/zinc/36/33/02/563363302.db2.gz UHBVZCDZFJYMCP-UHFFFAOYSA-N 1 1 303.475 3.935 40 0 DHABMO CCCc1ccc(C[N@@H+](C)Cc2[nH]nc3c2CCCC3)s1 ZINC000012147145 563363305 /nfs/dbraw/zinc/36/33/05/563363305.db2.gz UHBVZCDZFJYMCP-UHFFFAOYSA-N 1 1 303.475 3.935 40 0 DHABMO COc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)[N@H+]2Cc2cccnc2)cc1 ZINC000012222600 563364674 /nfs/dbraw/zinc/36/46/74/563364674.db2.gz AWCDBPOHAKXSBK-UWVAXJGDSA-N 1 1 324.424 3.522 40 0 DHABMO C[C@H]1CCC[N@@H+](CCCNC(=O)CCc2ccc(Cl)cc2)C1 ZINC000046960935 563465536 /nfs/dbraw/zinc/46/55/36/563465536.db2.gz MIKABUNYWYRRTM-HNNXBMFYSA-N 1 1 322.880 3.511 40 0 DHABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000247884855 563480088 /nfs/dbraw/zinc/48/00/88/563480088.db2.gz SLJQCXKWMCDIOX-ZBRFXRBCSA-N 1 1 311.510 3.557 40 0 DHABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000078578424 563513772 /nfs/dbraw/zinc/51/37/72/563513772.db2.gz JIMIGUPCOVPMKW-OAHLLOKOSA-N 1 1 310.397 3.759 40 0 DHABMO C[N@@H+](C1CCCCC1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585289907 563542549 /nfs/dbraw/zinc/54/25/49/563542549.db2.gz XDQUBWVDKCHBGY-IPMKNSEASA-N 1 1 321.436 3.751 40 0 DHABMO Fc1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1F ZINC000049169045 563701130 /nfs/dbraw/zinc/70/11/30/563701130.db2.gz KKEGEKFLGAEIIM-ZDUSSCGKSA-N 1 1 313.351 3.831 40 0 biogenic,in-vitro DHABMO CC[NH+](CC)CCNCc1ccc(OCc2cccs2)cc1 ZINC000022076420 563713780 /nfs/dbraw/zinc/71/37/80/563713780.db2.gz SKTNVDCPJXNJTI-UHFFFAOYSA-N 1 1 318.486 3.759 40 0 DHABMO CC(C)[C@H](C)NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260893039 563781371 /nfs/dbraw/zinc/78/13/71/563781371.db2.gz GIEICFOSJOJGJH-HOTGVXAUSA-N 1 1 302.462 3.693 40 0 DHABMO CC(C)n1cc(-c2nccnc2[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257333880 563793073 /nfs/dbraw/zinc/79/30/73/563793073.db2.gz YDMRWYPDLRTTQK-HNNXBMFYSA-N 1 1 313.449 3.509 40 0 DHABMO Cc1nc(NC2CC2)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000328994380 563832661 /nfs/dbraw/zinc/83/26/61/563832661.db2.gz JCWYJPMUQVPFLM-UHFFFAOYSA-N 1 1 308.429 3.701 40 0 DHABMO Cc1nc(NC2CC2)cc(N2Cc3ccccc3C(C)(C)C2)[nH+]1 ZINC000328997318 563832739 /nfs/dbraw/zinc/83/27/39/563832739.db2.gz JOTDQIQUNKEQRI-UHFFFAOYSA-N 1 1 308.429 3.657 40 0 DHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1N ZINC000218867772 563945567 /nfs/dbraw/zinc/94/55/67/563945567.db2.gz DIKKZBGQGPTGNT-MJQMVNBJSA-N 1 1 302.462 3.545 40 0 DHABMO CC(C)(C)OC(=O)N1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000079438596 185171388 /nfs/dbraw/zinc/17/13/88/185171388.db2.gz VCJLQCBCXPIHIL-YRNVUSSQSA-N 1 1 316.445 3.643 40 0 DHABMO Cn1ccc2c1C[N@H+](CC1CC1)Cc1cn(-c3ccccc3)nc1-2 ZINC000306138897 231090409 /nfs/dbraw/zinc/09/04/09/231090409.db2.gz SKISNESAAGNULU-UHFFFAOYSA-N 1 1 318.424 3.603 40 0 DHABMO Cn1ccc2c1C[N@@H+](CC1CC1)Cc1cn(-c3ccccc3)nc1-2 ZINC000306138897 231090412 /nfs/dbraw/zinc/09/04/12/231090412.db2.gz SKISNESAAGNULU-UHFFFAOYSA-N 1 1 318.424 3.603 40 0 DHABMO Cc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000072366757 191136932 /nfs/dbraw/zinc/13/69/32/191136932.db2.gz ZCIXBNJDXNNAEG-IBGZPJMESA-N 1 1 318.424 3.913 40 0 DHABMO C[N@@H+](CCc1ccncc1)Cc1c2cccnc2[nH]c1C(C)(C)C ZINC000072393648 191149388 /nfs/dbraw/zinc/14/93/88/191149388.db2.gz QWRJXPNPPSIFRE-UHFFFAOYSA-N 1 1 322.456 3.930 40 0 DHABMO c1cc([C@@H]2C[N@H+](C[C@@H]3CC=CCC3)C[C@H]2c2ccccc2)n[nH]1 ZINC000072395192 191150131 /nfs/dbraw/zinc/15/01/31/191150131.db2.gz JGSZVWCSZFRMMG-NZSAHSFTSA-N 1 1 307.441 3.949 40 0 DHABMO C[C@@H]1CCCC[N@H+]1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000004968578 181181210 /nfs/dbraw/zinc/18/12/10/181181210.db2.gz HUAVVMNRDYDBOF-QGZVFWFLSA-N 1 1 322.452 3.767 40 0 DHABMO CCCCOc1ccc(C[C@@H](O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000005732803 181278733 /nfs/dbraw/zinc/27/87/33/181278733.db2.gz CAYFNLUNTXBSSB-FUHWJXTLSA-N 1 1 305.462 3.643 40 0 DHABMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000006008042 181305856 /nfs/dbraw/zinc/30/58/56/181305856.db2.gz NXCMPCZBKQUWRK-JTDSTZFVSA-N 1 1 313.441 3.842 40 0 DHABMO CC(C)n1cc(-c2cnc([C@H]3CCC[N@H+](C(C)C)C3)cn2)cn1 ZINC000257301462 203025917 /nfs/dbraw/zinc/02/59/17/203025917.db2.gz RYNMPNBGXGANIC-HNNXBMFYSA-N 1 1 313.449 3.509 40 0 DHABMO Cc1ccc([C@@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)nc1 ZINC000257312828 203037321 /nfs/dbraw/zinc/03/73/21/203037321.db2.gz UPSUDWOPMKECOT-FQEVSTJZSA-N 1 1 319.408 3.512 40 0 DHABMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)nc1 ZINC000257312828 203037324 /nfs/dbraw/zinc/03/73/24/203037324.db2.gz UPSUDWOPMKECOT-FQEVSTJZSA-N 1 1 319.408 3.512 40 0 DHABMO Cc1c[nH]c([C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)[nH+]1 ZINC000257319930 203046348 /nfs/dbraw/zinc/04/63/48/203046348.db2.gz VUQMZXGDKGEOTR-NSHDSACASA-N 1 1 310.323 3.516 40 0 DHABMO c1ccc(C[N@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)cc1 ZINC000019927144 182165056 /nfs/dbraw/zinc/16/50/56/182165056.db2.gz ODVVJXVYUJETBD-NRFANRHFSA-N 1 1 306.453 3.709 40 0 DHABMO c1ccc(CN2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000019927144 182165057 /nfs/dbraw/zinc/16/50/57/182165057.db2.gz ODVVJXVYUJETBD-NRFANRHFSA-N 1 1 306.453 3.709 40 0 DHABMO c1ccc(CN2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000019927144 182165058 /nfs/dbraw/zinc/16/50/58/182165058.db2.gz ODVVJXVYUJETBD-NRFANRHFSA-N 1 1 306.453 3.709 40 0 DHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccccc3)cc2)C1 ZINC000022523695 182324781 /nfs/dbraw/zinc/32/47/81/182324781.db2.gz JVVXVPANSMUZAE-QGZVFWFLSA-N 1 1 322.452 3.849 40 0 DHABMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000038833212 183011150 /nfs/dbraw/zinc/01/11/50/183011150.db2.gz NFAMFWNPWBXNNM-SFHVURJKSA-N 1 1 308.425 3.846 40 0 DHABMO Cc1ccc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044140357 183396252 /nfs/dbraw/zinc/39/62/52/183396252.db2.gz WJLUPZYEWQZHKO-IYBDPMFKSA-N 1 1 319.518 3.649 40 0 DHABMO Cc1cccc2cc3c(nc12)OCC[N@H+](CCc1ccccc1)C3 ZINC000057718832 184050027 /nfs/dbraw/zinc/05/00/27/184050027.db2.gz SSWLYLKAQGDFGQ-UHFFFAOYSA-N 1 1 318.420 3.980 40 0 DHABMO Cc1cccc2cc3c(nc12)OCC[N@@H+](CCc1ccccc1)C3 ZINC000057718832 184050028 /nfs/dbraw/zinc/05/00/28/184050028.db2.gz SSWLYLKAQGDFGQ-UHFFFAOYSA-N 1 1 318.420 3.980 40 0 DHABMO CNc1cc(C)c([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072219069 257123983 /nfs/dbraw/zinc/12/39/83/257123983.db2.gz JUJFTINGESOAIJ-CQSZACIVSA-N 1 1 305.422 3.894 40 0 DHABMO Cc1[nH+]c(N(C)C)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072218768 257124324 /nfs/dbraw/zinc/12/43/24/257124324.db2.gz BJHUSGJORYMVKO-HNNXBMFYSA-N 1 1 319.449 3.918 40 0 DHABMO CCC[N@H+]1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214440 257126588 /nfs/dbraw/zinc/12/65/88/257126588.db2.gz MBCDJIYNSFTMFY-HNNXBMFYSA-N 1 1 319.449 4.000 40 0 DHABMO C[N@@H+](CC[C@@]1(C)c2ccccc2CCC1=O)Cc1ccccc1 ZINC000001581099 563286196 /nfs/dbraw/zinc/28/61/96/563286196.db2.gz ZMKGNTPUJWEYCT-NRFANRHFSA-N 1 1 307.437 3.982 40 0 DHABMO COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2cccnc2)c1 ZINC000012085289 563361722 /nfs/dbraw/zinc/36/17/22/563361722.db2.gz XAGFKPXRNZMYRL-QKLQHJQFSA-N 1 1 324.424 3.522 40 0 DHABMO Cc1cc2c(cc1C[N@H+](C)Cc1cccc3ncccc13)OCO2 ZINC000012191743 563363947 /nfs/dbraw/zinc/36/39/47/563363947.db2.gz PVQKFBUQBJALRW-UHFFFAOYSA-N 1 1 320.392 3.904 40 0 DHABMO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012336912 563365991 /nfs/dbraw/zinc/36/59/91/563365991.db2.gz LYBDSSYXELFUKU-MRXNPFEDSA-N 1 1 314.429 3.812 40 0 DHABMO CCc1[nH+]ccn1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000035170678 563452581 /nfs/dbraw/zinc/45/25/81/563452581.db2.gz IBMHXFBLCGUZRB-GOSISDBHSA-N 1 1 322.408 3.552 40 0 DHABMO CC(C)CC[N@H+]1CCC[C@@]2(CCCN2C(=O)c2ccoc2)CC1 ZINC000585100143 563517138 /nfs/dbraw/zinc/51/71/38/563517138.db2.gz GTVFSBRPRUKMOI-LJQANCHMSA-N 1 1 318.461 3.786 40 0 DHABMO Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)s1 ZINC000096056413 563532711 /nfs/dbraw/zinc/53/27/11/563532711.db2.gz MOZWXXOXXQNXQM-KBAYOESNSA-N 1 1 321.486 3.605 40 0 DHABMO Cc1cccc(C)c1NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000000353313 563616075 /nfs/dbraw/zinc/61/60/75/563616075.db2.gz RVGMBJVDJFDQQR-INIZCTEOSA-N 1 1 315.461 3.832 40 0 DHABMO Cc1sc2[nH]c([C@@H](C)[NH+]3C[C@@H](C)C[C@H](C)C3)nc(=O)c2c1C ZINC000007738211 563625474 /nfs/dbraw/zinc/62/54/74/563625474.db2.gz KOUMTNYUKLAYJE-JBLDHEPKSA-N 1 1 319.474 3.640 40 0 DHABMO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccccc1Cl ZINC000008469648 563643512 /nfs/dbraw/zinc/64/35/12/563643512.db2.gz GUIFOCIBWBKFKP-UHFFFAOYSA-N 1 1 321.804 3.656 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C)c(C)c1 ZINC000225720603 563761379 /nfs/dbraw/zinc/76/13/79/563761379.db2.gz UKICWSOYPQBRQV-GOSISDBHSA-N 1 1 302.462 3.688 40 0 DHABMO Cc1ncc2cncc([C@H]3CCC[N@@H+](Cc4ccccc4F)C3)n12 ZINC000257211336 563790543 /nfs/dbraw/zinc/79/05/43/563790543.db2.gz BYNANVUAGDRGBO-INIZCTEOSA-N 1 1 324.403 3.556 40 0 DHABMO CCCCc1ncc(C[N@H+]2CCC[C@@H](c3nccs3)C2)[nH]1 ZINC000257228771 563790599 /nfs/dbraw/zinc/79/05/99/563790599.db2.gz FVDURGWMSZKENI-CYBMUJFWSA-N 1 1 304.463 3.588 40 0 DHABMO CCCCc1nc(CN2CCC[C@@H](c3nccs3)C2)c[nH]1 ZINC000257228771 563790602 /nfs/dbraw/zinc/79/06/02/563790602.db2.gz FVDURGWMSZKENI-CYBMUJFWSA-N 1 1 304.463 3.588 40 0 DHABMO CCCCc1nc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c[nH]1 ZINC000257228771 563790606 /nfs/dbraw/zinc/79/06/06/563790606.db2.gz FVDURGWMSZKENI-CYBMUJFWSA-N 1 1 304.463 3.588 40 0 DHABMO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C2)n1 ZINC000257232653 563791512 /nfs/dbraw/zinc/79/15/12/563791512.db2.gz GLVWGNHKYJGHKU-CYBMUJFWSA-N 1 1 307.800 3.511 40 0 DHABMO CCn1nccc1-c1cc(C)nc([C@@H]2CCCC[N@H+]2C(C)C)n1 ZINC000257234125 563791619 /nfs/dbraw/zinc/79/16/19/563791619.db2.gz GSGDCINYNIDUHB-KRWDZBQOSA-N 1 1 313.449 3.604 40 0 DHABMO Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)c(C(C)(C)C)c1 ZINC000026781125 563795597 /nfs/dbraw/zinc/79/55/97/563795597.db2.gz OFEQUOJOHSEPLP-DLBZAZTESA-N 1 1 319.489 3.907 40 0 DHABMO Cc1ccccc1C[N@H+]1CC[C@H](c2nc3cc(F)ccc3[nH]2)C1 ZINC000035446616 563867245 /nfs/dbraw/zinc/86/72/45/563867245.db2.gz JWPGYGJQCVOMJR-HNNXBMFYSA-N 1 1 309.388 4.000 40 0 biogenic,in-vitro DHABMO Cc1ccccc1C[N@@H+]1CC[C@H](c2nc3ccc(F)cc3[nH]2)C1 ZINC000035446616 563867248 /nfs/dbraw/zinc/86/72/48/563867248.db2.gz JWPGYGJQCVOMJR-HNNXBMFYSA-N 1 1 309.388 4.000 40 0 biogenic,in-vitro DHABMO Cc1ccccc1C[N@H+]1CC[C@H](c2nc3ccc(F)cc3[nH]2)C1 ZINC000035446616 563867252 /nfs/dbraw/zinc/86/72/52/563867252.db2.gz JWPGYGJQCVOMJR-HNNXBMFYSA-N 1 1 309.388 4.000 40 0 biogenic,in-vitro DHABMO Clc1cccc(C[N@@H+]2CCOC[C@H](Oc3ccccc3)C2)c1 ZINC000096113198 563935543 /nfs/dbraw/zinc/93/55/43/563935543.db2.gz KYJLZDCFCBZTOC-GOSISDBHSA-N 1 1 317.816 3.620 40 0 biogenic,in-vitro DHABMO Clc1cccc(C[N@H+]2CCOC[C@H](Oc3ccccc3)C2)c1 ZINC000096113198 563935544 /nfs/dbraw/zinc/93/55/44/563935544.db2.gz KYJLZDCFCBZTOC-GOSISDBHSA-N 1 1 317.816 3.620 40 0 biogenic,in-vitro DHABMO COc1ccc(F)c(C[N@H+](Cc2sccc2C)C[C@@H](C)O)c1 ZINC000013991667 1022010975 /nfs/dbraw/zinc/01/09/75/1022010975.db2.gz IXOMUNIHWCAFFA-CYBMUJFWSA-N 1 1 323.433 3.587 40 0 DHABMO c1ccc(OCCn2c(C[NH+]3CCCC3)nc3ccccc32)cc1 ZINC000076555507 185022678 /nfs/dbraw/zinc/02/26/78/185022678.db2.gz KHLDZDUVFAVIHN-UHFFFAOYSA-N 1 1 321.424 3.711 40 0 DHABMO C[N@H+]1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000082334776 185176166 /nfs/dbraw/zinc/17/61/66/185176166.db2.gz KLPMBJORBKCSRC-VIFPVBQESA-N 1 1 320.742 3.639 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(F)cc1 ZINC000225581374 186279852 /nfs/dbraw/zinc/27/98/52/186279852.db2.gz JSSSMYSLNVRCOC-MRXNPFEDSA-N 1 1 323.481 3.767 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(C)cc1 ZINC000225580043 186280065 /nfs/dbraw/zinc/28/00/65/186280065.db2.gz FQFICCXELUFNRS-KRWDZBQOSA-N 1 1 319.518 3.936 40 0 DHABMO Fc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000072355429 191129198 /nfs/dbraw/zinc/12/91/98/191129198.db2.gz DHTUKQZEARSKPA-GOSISDBHSA-N 1 1 322.387 3.744 40 0 DHABMO Cc1nccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cccs2)n1 ZINC000072355428 191128757 /nfs/dbraw/zinc/12/87/57/191128757.db2.gz BNWAUIWOIKFTPW-QGZVFWFLSA-N 1 1 324.453 3.974 40 0 DHABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072379128 191141027 /nfs/dbraw/zinc/14/10/27/191141027.db2.gz CQUAWTAZQNPNTJ-KRWDZBQOSA-N 1 1 310.445 3.909 40 0 DHABMO CC(C)[N@H+]1C[C@@H](CCO)C(c2ccccc2)(c2ccccc2)C1 ZINC000005640963 181267322 /nfs/dbraw/zinc/26/73/22/181267322.db2.gz XZTJWVOZRVENMA-HXUWFJFHSA-N 1 1 309.453 3.695 40 0 DHABMO Cc1cc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)ccc1Cl ZINC000006008668 181305701 /nfs/dbraw/zinc/30/57/01/181305701.db2.gz GGVNPHJWWXXEJG-HNNXBMFYSA-N 1 1 311.853 3.653 40 0 DHABMO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000006355911 181333948 /nfs/dbraw/zinc/33/39/48/181333948.db2.gz JHQZQXQDMVUSSM-BBWFWOEESA-N 1 1 305.462 3.672 40 0 DHABMO C[N@@H+](C[C@@H](O)CO[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2)C1CCCCC1 ZINC000006617272 181361513 /nfs/dbraw/zinc/36/15/13/181361513.db2.gz NYKSCGZFZQRKJK-UIXUWTQFSA-N 1 1 323.521 3.843 40 0 DHABMO Cc1cccc2c3c([nH]c21)CC[N@H+](C[C@H](O)c1cccs1)C3 ZINC000019236587 182110768 /nfs/dbraw/zinc/11/07/68/182110768.db2.gz OYRKXBJTODMRPL-INIZCTEOSA-N 1 1 312.438 3.630 40 0 DHABMO CCCc1cc([C@H]2CCCCC[N@@H+]2Cc2cn(C)nc2C)no1 ZINC000019525416 182128526 /nfs/dbraw/zinc/12/85/26/182128526.db2.gz MIWOYGNASMJNJY-GOSISDBHSA-N 1 1 316.449 3.786 40 0 DHABMO CCCc1cc([C@H]2CCCCC[N@H+]2Cc2cn(C)nc2C)no1 ZINC000019525416 182128528 /nfs/dbraw/zinc/12/85/28/182128528.db2.gz MIWOYGNASMJNJY-GOSISDBHSA-N 1 1 316.449 3.786 40 0 DHABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc1 ZINC000019555192 182130268 /nfs/dbraw/zinc/13/02/68/182130268.db2.gz PHGXRPREDRUJMC-KRWDZBQOSA-N 1 1 321.424 3.951 40 0 DHABMO C[NH+](C)CCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000022075012 182307484 /nfs/dbraw/zinc/30/74/84/182307484.db2.gz MQMIIGPINOMWAH-UHFFFAOYSA-N 1 1 318.848 3.570 40 0 DHABMO CCOC(=O)N1CC[NH2+][C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000022115386 182308984 /nfs/dbraw/zinc/30/89/84/182308984.db2.gz IHGUOBVQHSJQOW-ZWKOTPCHSA-N 1 1 310.397 3.531 40 0 DHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000038833314 183011274 /nfs/dbraw/zinc/01/12/74/183011274.db2.gz RBEZRPXBRJBFKJ-UHFFFAOYSA-N 1 1 305.381 3.801 40 0 DHABMO O=C(Nc1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038849280 183011350 /nfs/dbraw/zinc/01/13/50/183011350.db2.gz LDDQRVBFWFNMDZ-INIZCTEOSA-N 1 1 312.388 3.676 40 0 DHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1N ZINC000242463728 257120817 /nfs/dbraw/zinc/12/08/17/257120817.db2.gz DIKKZBGQGPTGNT-VUHPKUFZSA-N 1 1 302.462 3.545 40 0 DHABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214378 257125925 /nfs/dbraw/zinc/12/59/25/257125925.db2.gz HCOGKJUYLVXCNG-AWEZNQCLSA-N 1 1 305.422 3.974 40 0 DHABMO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1ccc(OC(C)C)cc1 ZINC000072340965 563503164 /nfs/dbraw/zinc/50/31/64/563503164.db2.gz OIUYRKDEEHHPFT-UZLBHIALSA-N 1 1 323.440 3.834 40 0 DHABMO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1ccc(OC(C)C)cc1 ZINC000072340965 563503166 /nfs/dbraw/zinc/50/31/66/563503166.db2.gz OIUYRKDEEHHPFT-UZLBHIALSA-N 1 1 323.440 3.834 40 0 DHABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000078578418 563513970 /nfs/dbraw/zinc/51/39/70/563513970.db2.gz JIMIGUPCOVPMKW-HNNXBMFYSA-N 1 1 310.397 3.759 40 0 DHABMO O=C1CC[C@]2(CCC[N@@H+](CC3CC3)CC2)N1CC1CCCCC1 ZINC000585100636 563516718 /nfs/dbraw/zinc/51/67/18/563516718.db2.gz RGPNIFXAGBNJIL-FQEVSTJZSA-N 1 1 318.505 3.824 40 0 DHABMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3C)CC2)cc1 ZINC000585100059 563516976 /nfs/dbraw/zinc/51/69/76/563516976.db2.gz DMNCDFGRNQTLRG-HXUWFJFHSA-N 1 1 314.473 3.787 40 0 DHABMO CC[C@@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccccc2)CC1 ZINC000585100197 563517057 /nfs/dbraw/zinc/51/70/57/563517057.db2.gz HLMHPFIYXBXSAN-YLJYHZDGSA-N 1 1 314.473 3.832 40 0 DHABMO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)c1 ZINC000096056998 563532562 /nfs/dbraw/zinc/53/25/62/563532562.db2.gz JHDIDDVJHZMBTB-ZWKOTPCHSA-N 1 1 321.486 3.546 40 0 DHABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000096058419 563532590 /nfs/dbraw/zinc/53/25/90/563532590.db2.gz VXWFTHKDKWPKSE-SFTDATJTSA-N 1 1 324.443 3.674 40 0 DHABMO CN1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000096058419 563532592 /nfs/dbraw/zinc/53/25/92/563532592.db2.gz VXWFTHKDKWPKSE-SFTDATJTSA-N 1 1 324.443 3.674 40 0 DHABMO CN1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000096058419 563532596 /nfs/dbraw/zinc/53/25/96/563532596.db2.gz VXWFTHKDKWPKSE-SFTDATJTSA-N 1 1 324.443 3.674 40 0 DHABMO CO[C@@H]1CC[N@@H+](Cc2nccs2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110200 563533535 /nfs/dbraw/zinc/53/35/35/563533535.db2.gz RKZLCRJSTNEONC-DLBZAZTESA-N 1 1 316.470 3.531 40 0 DHABMO Cc1cccc(CN2CCC3(CCC[N@H+]3CC3CCC3)CC2)n1 ZINC000096159392 563534822 /nfs/dbraw/zinc/53/48/22/563534822.db2.gz WZTSLFYWJZOBCR-UHFFFAOYSA-N 1 1 313.489 3.621 40 0 DHABMO Fc1ccccc1C[N@H+]1CC[C@H](c2nnc(-c3ccccc3)o2)C1 ZINC000049169315 563700973 /nfs/dbraw/zinc/70/09/73/563700973.db2.gz SXPQIHHZBJPCJA-INIZCTEOSA-N 1 1 323.371 3.865 40 0 biogenic,in-vitro DHABMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](CC(C)(C)C)C3)o2)cc1 ZINC000049170136 563701044 /nfs/dbraw/zinc/70/10/44/563701044.db2.gz WXQKEHSZUAMFHK-AWEZNQCLSA-N 1 1 315.417 3.581 40 0 biogenic,in-vitro DHABMO Cc1nccc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccccc2)n1 ZINC000257202743 563789830 /nfs/dbraw/zinc/78/98/30/563789830.db2.gz ANFKGANZZYXKSZ-GOSISDBHSA-N 1 1 319.412 3.512 40 0 DHABMO CN(C)c1cccc(CC[C@@H]2CCCC[N@H+]2Cc2ccccn2)n1 ZINC000257214189 563790776 /nfs/dbraw/zinc/79/07/76/563790776.db2.gz CKYNWFZOXLBBJJ-IBGZPJMESA-N 1 1 324.472 3.530 40 0 DHABMO CCCn1nccc1-c1ccc(C[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000257267051 563792365 /nfs/dbraw/zinc/79/23/65/563792365.db2.gz MFTGGDYXLHGJHC-QGZVFWFLSA-N 1 1 312.461 3.628 40 0 DHABMO Cc1c[nH]c([C@H]2C[N@H+](Cc3cc4ccccc4s3)CCO2)n1 ZINC000257333594 563793111 /nfs/dbraw/zinc/79/31/11/563793111.db2.gz YCFRQBXHLLHOSL-OAHLLOKOSA-N 1 1 313.426 3.506 40 0 DHABMO Cc1c[nH]c([C@H]2C[N@@H+](Cc3cc4ccccc4s3)CCO2)n1 ZINC000257333594 563793115 /nfs/dbraw/zinc/79/31/15/563793115.db2.gz YCFRQBXHLLHOSL-OAHLLOKOSA-N 1 1 313.426 3.506 40 0 DHABMO Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)c(C(C)(C)C)c1 ZINC000026781123 563795281 /nfs/dbraw/zinc/79/52/81/563795281.db2.gz OFEQUOJOHSEPLP-IAGOWNOFSA-N 1 1 319.489 3.907 40 0 DHABMO C[N@@H+](C[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 ZINC000009970723 563823771 /nfs/dbraw/zinc/82/37/71/563823771.db2.gz JXMIXOSOCIMCNA-ZCDKGFTFSA-N 1 1 323.521 3.843 40 0 DHABMO Cc1nc(NC(C)C)cc(N2CCc3cc(Cl)ccc3C2)[nH+]1 ZINC000328965997 563832682 /nfs/dbraw/zinc/83/26/82/563832682.db2.gz CIFQSVXAUDVBKV-UHFFFAOYSA-N 1 1 316.836 3.821 40 0 DHABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]c(C)n1 ZINC000329025750 563833437 /nfs/dbraw/zinc/83/34/37/563833437.db2.gz PIOGSKHQXZAQKT-KBPBESRZSA-N 1 1 310.445 3.947 40 0 DHABMO CNc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]c(C(C)C)n1 ZINC000329041320 563833543 /nfs/dbraw/zinc/83/35/43/563833543.db2.gz SIEJDMFMZCVINM-UHFFFAOYSA-N 1 1 310.445 3.940 40 0 DHABMO C[C@@H](CN1c2ccccc2Sc2ccccc21)[N@@H+](C)CCO ZINC000005423425 563909799 /nfs/dbraw/zinc/90/97/99/563909799.db2.gz OVBCYALNGQQYRZ-AWEZNQCLSA-N 1 1 314.454 3.602 40 0 DHABMO Clc1ccccc1C[N@@H+](Cc1ccccn1)C[C@H]1CCOC1 ZINC000013990816 1022011855 /nfs/dbraw/zinc/01/18/55/1022011855.db2.gz JHLCPDHFKUHYPQ-OAHLLOKOSA-N 1 1 316.832 3.774 40 0 DHABMO Clc1ccccc1C[N@H+](Cc1ccccn1)C[C@H]1CCOC1 ZINC000013990816 1022011872 /nfs/dbraw/zinc/01/18/72/1022011872.db2.gz JHLCPDHFKUHYPQ-OAHLLOKOSA-N 1 1 316.832 3.774 40 0 DHABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000082336949 185176413 /nfs/dbraw/zinc/17/64/13/185176413.db2.gz HMBZBDFQLNKIGD-VIFPVBQESA-N 1 1 320.742 3.639 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1ccccc1F ZINC000225585132 186280529 /nfs/dbraw/zinc/28/05/29/186280529.db2.gz VMODGJQYQBVJGB-QGZVFWFLSA-N 1 1 320.452 3.529 40 0 DHABMO CCCCOc1ccc(C(=O)O[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000003902196 181054864 /nfs/dbraw/zinc/05/48/64/181054864.db2.gz RIKXLROQYQSOHV-DAYGRLMNSA-N 1 1 319.445 3.751 40 0 DHABMO C[N@H+]1CCC[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000073414521 191313194 /nfs/dbraw/zinc/31/31/94/191313194.db2.gz OAAQBJMVTCBKBU-FQEVSTJZSA-N 1 1 322.452 3.557 40 0 DHABMO CCC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000005699193 181274082 /nfs/dbraw/zinc/27/40/82/181274082.db2.gz NFOFODLZYVUMFC-CTNGQTDRSA-N 1 1 323.436 3.954 40 0 DHABMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000006535416 181351662 /nfs/dbraw/zinc/35/16/62/181351662.db2.gz YIYUGJLYGWSLLU-GDBMZVCRSA-N 1 1 307.821 3.761 40 0 DHABMO CC(C)(C)c1noc([C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)n1 ZINC000019084635 182104364 /nfs/dbraw/zinc/10/43/64/182104364.db2.gz DVIRLVJQLUVQKQ-GFCCVEGCSA-N 1 1 321.371 3.635 40 0 DHABMO Cc1cccc2c3c([nH]c21)CC[N@H+](C[C@@H](O)c1cccs1)C3 ZINC000019236586 182110667 /nfs/dbraw/zinc/11/06/67/182110667.db2.gz OYRKXBJTODMRPL-MRXNPFEDSA-N 1 1 312.438 3.630 40 0 DHABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000038832813 183011464 /nfs/dbraw/zinc/01/14/64/183011464.db2.gz WRNMXHAPFJPEKZ-FXAWDEMLSA-N 1 1 322.452 3.776 40 0 DHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N@@H+]1CCN[C@H]2CCC[C@H]21 ZINC000252515020 257106652 /nfs/dbraw/zinc/10/66/52/257106652.db2.gz FUJSTKVKXGEKGI-HLNWXESRSA-N 1 1 314.473 3.511 40 0 DHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N@H+]1CCN[C@H]2CCC[C@H]21 ZINC000252515020 257106653 /nfs/dbraw/zinc/10/66/53/257106653.db2.gz FUJSTKVKXGEKGI-HLNWXESRSA-N 1 1 314.473 3.511 40 0 DHABMO Cc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000072227784 257122538 /nfs/dbraw/zinc/12/25/38/257122538.db2.gz BTDVEIHAOLRLFE-HUUCEWRRSA-N 1 1 321.207 3.717 40 0 DHABMO C[N@@H+](C[C@@H](O)COc1ccccc1C(C)(C)C)C1CCCCC1 ZINC000001475523 563284179 /nfs/dbraw/zinc/28/41/79/563284179.db2.gz RIXILAJGJJCOJW-QGZVFWFLSA-N 1 1 319.489 3.988 40 0 DHABMO CCCc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000001475480 563284294 /nfs/dbraw/zinc/28/42/94/563284294.db2.gz YEFQDLJDRNSLNS-SFHVURJKSA-N 1 1 305.462 3.643 40 0 DHABMO Nc1[nH+]cnc2[nH]cc(-c3cccc(OCc4ccccc4)c3)c21 ZINC000036294281 563454756 /nfs/dbraw/zinc/45/47/56/563454756.db2.gz ZQRJZBYXLDCLFV-UHFFFAOYSA-N 1 1 316.364 3.786 40 0 DHABMO C[C@@H]1C[C@@H](OC[C@H](O)C[N@@H+](C)C2CCCCC2)CC(C)(C)C1 ZINC000037530291 563457882 /nfs/dbraw/zinc/45/78/82/563457882.db2.gz SVDPJYRFEFQLLO-KBAYOESNSA-N 1 1 311.510 3.843 40 0 DHABMO CCCC[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1 ZINC000585100007 563516738 /nfs/dbraw/zinc/51/67/38/563516738.db2.gz CGYBBJOIBKFKNH-FQEVSTJZSA-N 1 1 314.473 3.834 40 0 DHABMO CC(C)CC[N@H+]1CCC[C@]2(CCCN2C(=O)c2ccoc2)CC1 ZINC000585100142 563516942 /nfs/dbraw/zinc/51/69/42/563516942.db2.gz GTVFSBRPRUKMOI-IBGZPJMESA-N 1 1 318.461 3.786 40 0 DHABMO Cc1ccc(CN2C(=O)C[C@H]3[C@@H]2CC[N@@H+]3CCC(C)C)cc1C ZINC000585108972 563517712 /nfs/dbraw/zinc/51/77/12/563517712.db2.gz JAAPVDRFPXVOLN-OALUTQOASA-N 1 1 314.473 3.525 40 0 DHABMO C[N@H+]1CCC[C@@H](Cc2cccc(-n3cnc4ccccc43)n2)CC1 ZINC000585263457 563536939 /nfs/dbraw/zinc/53/69/39/563536939.db2.gz ZRZXYORSBPGCBI-MRXNPFEDSA-N 1 1 320.440 3.695 40 0 DHABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)c1 ZINC000107751967 563567166 /nfs/dbraw/zinc/56/71/66/563567166.db2.gz JHDIDDVJHZMBTB-MSOLQXFVSA-N 1 1 321.486 3.546 40 0 DHABMO [NH3+][C@H](c1nc(-c2ccccc2Cl)n[nH]1)c1ccc(Cl)cc1 ZINC000095533997 563567821 /nfs/dbraw/zinc/56/78/21/563567821.db2.gz XONOXRIXVNDEIP-ZDUSSCGKSA-N 1 1 319.195 3.827 40 0 DHABMO CC[n+]1cc(Br)cc(-c2nc3ccc(C)cc3[nH]2)c1 ZINC000226774324 563605230 /nfs/dbraw/zinc/60/52/30/563605230.db2.gz BWRCMPRRUWDIKW-UHFFFAOYSA-N 1 1 317.210 3.608 40 0 DHABMO COc1cc(C=O)ccc1OCCCC[N@H+]1CCCC[C@H]1C ZINC000217797421 563714891 /nfs/dbraw/zinc/71/48/91/563714891.db2.gz QSFBZJHQZMACKW-OAHLLOKOSA-N 1 1 305.418 3.541 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C)cc1C ZINC000223144550 563731189 /nfs/dbraw/zinc/73/11/89/563731189.db2.gz WIEDKVDZICMHSX-QGZVFWFLSA-N 1 1 302.462 3.688 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C)c(C)c1 ZINC000225720633 563761251 /nfs/dbraw/zinc/76/12/51/563761251.db2.gz UKICWSOYPQBRQV-SFHVURJKSA-N 1 1 302.462 3.688 40 0 DHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(C)ccc2C)cc1 ZINC000225828485 563763990 /nfs/dbraw/zinc/76/39/90/563763990.db2.gz PVVMHCFTBKQAPY-UHFFFAOYSA-N 1 1 319.408 3.728 40 0 DHABMO CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C)C1 ZINC000226724081 563770011 /nfs/dbraw/zinc/77/00/11/563770011.db2.gz JHQZQXQDMVUSSM-IKGGRYGDSA-N 1 1 305.462 3.672 40 0 DHABMO CN1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3cccs3)C[C@@H]12 ZINC000248084142 563782553 /nfs/dbraw/zinc/78/25/53/563782553.db2.gz AXBXJEBMMWIAMQ-RTBURBONSA-N 1 1 312.482 3.596 40 0 DHABMO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(Cc3cccs3)C[C@@H]12 ZINC000248084142 563782555 /nfs/dbraw/zinc/78/25/55/563782555.db2.gz AXBXJEBMMWIAMQ-RTBURBONSA-N 1 1 312.482 3.596 40 0 DHABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(Cc3cccs3)C[C@@H]12 ZINC000248084142 563782556 /nfs/dbraw/zinc/78/25/56/563782556.db2.gz AXBXJEBMMWIAMQ-RTBURBONSA-N 1 1 312.482 3.596 40 0 DHABMO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)c(C(C)(C)C)c1 ZINC000252445482 563905869 /nfs/dbraw/zinc/90/58/69/563905869.db2.gz OFEQUOJOHSEPLP-SJORKVTESA-N 1 1 319.489 3.907 40 0 DHABMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000307198996 563912966 /nfs/dbraw/zinc/91/29/66/563912966.db2.gz YZFBIESGISWLFU-MRXNPFEDSA-N 1 1 318.461 3.812 40 0 DHABMO O=C1C[C@H](c2ccc(F)cc2)CC2=[NH+][C@H]3CCCC[C@H]3NC=C12 ZINC000017032471 563922839 /nfs/dbraw/zinc/92/28/39/563922839.db2.gz RZOWRGHYBQRJHU-XYPHTWIQSA-N 1 1 312.388 3.512 40 0 DHABMO C[C@H]1CCCN(C(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000036067877 563923206 /nfs/dbraw/zinc/92/32/06/563923206.db2.gz CKEJEBVIPPRBQU-IRXDYDNUSA-N 1 1 314.473 3.791 40 0 DHABMO O=c1[nH]c2ccccc2cc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC000090646353 185307925 /nfs/dbraw/zinc/30/79/25/185307925.db2.gz GQHUAFYOFQRHRS-UHFFFAOYSA-N 1 1 316.404 3.817 40 0 DHABMO c1csc([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000092788603 185341547 /nfs/dbraw/zinc/34/15/47/185341547.db2.gz UYYYEWGRXNOJRQ-OAHLLOKOSA-N 1 1 324.453 3.913 40 0 DHABMO CCc1nccn1-c1cccc([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072379135 191141272 /nfs/dbraw/zinc/14/12/72/191141272.db2.gz LCAFLKJYMQACOZ-INIZCTEOSA-N 1 1 324.472 3.952 40 0 DHABMO CC(C)c1[nH]c2ncccc2c1C[N@@H+](C)CCc1ccccn1 ZINC000072393722 191149628 /nfs/dbraw/zinc/14/96/28/191149628.db2.gz DUEYORLYTJYQMP-UHFFFAOYSA-N 1 1 308.429 3.756 40 0 DHABMO CCC(=O)O[C@@]1(Cc2ccc(CC)cc2)C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000004474249 181111500 /nfs/dbraw/zinc/11/15/00/181111500.db2.gz KOYICGYXDCTHSW-TWOQFEAHSA-N 1 1 317.473 3.844 40 0 DHABMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COC2CCC(C(C)(C)C)CC2)C1 ZINC000006007639 181305830 /nfs/dbraw/zinc/30/58/30/181305830.db2.gz OHQWOUQOOHHSLW-RZZCCWGQSA-N 1 1 311.510 3.701 40 0 DHABMO CC(C)Cc1ncc(-c2nccnc2[C@H]2CCC[N@@H+](C)C2)s1 ZINC000257321567 203044537 /nfs/dbraw/zinc/04/45/37/203044537.db2.gz WCEVAGSOBRGBTH-ZDUSSCGKSA-N 1 1 316.474 3.608 40 0 DHABMO C[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2-c2ccncc2)C1 ZINC000012222022 181741409 /nfs/dbraw/zinc/74/14/09/181741409.db2.gz OSQQIODKZFQJED-CQSZACIVSA-N 1 1 306.413 3.857 40 0 DHABMO CCn1ncc(C[N@H+]2CCCCC[C@@H]2c2cc(C)no2)c1C ZINC000019523950 182128252 /nfs/dbraw/zinc/12/82/52/182128252.db2.gz KUBBHBNYGDAYCB-MRXNPFEDSA-N 1 1 302.422 3.625 40 0 DHABMO C=Cn1cc(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(C)n1 ZINC000019584208 182131786 /nfs/dbraw/zinc/13/17/86/182131786.db2.gz MMZDMBHLBLOTBX-INIZCTEOSA-N 1 1 321.428 3.548 40 0 DHABMO C[NH+](C)CCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000022075792 182307500 /nfs/dbraw/zinc/30/75/00/182307500.db2.gz AGQAFFLOCMSROJ-UHFFFAOYSA-N 1 1 318.848 3.570 40 0 DHABMO COc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000038834167 183010872 /nfs/dbraw/zinc/01/08/72/183010872.db2.gz NTZRXOHLFICHDD-QGZVFWFLSA-N 1 1 324.424 3.546 40 0 DHABMO Cc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000044080834 183394377 /nfs/dbraw/zinc/39/43/77/183394377.db2.gz MCNWUHGQHKHTNS-OAHLLOKOSA-N 1 1 319.518 3.712 40 0 DHABMO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2C)cn1 ZINC000072214843 257126685 /nfs/dbraw/zinc/12/66/85/257126685.db2.gz NRMYGDNKUBBUIN-HNNXBMFYSA-N 1 1 319.449 3.998 40 0 DHABMO CC[N@@H+](C[C@@H](O)COc1ccccc1Cl)C1CCCCC1 ZINC000006325626 563332185 /nfs/dbraw/zinc/33/21/85/563332185.db2.gz GOAMOCOXJKKHLJ-OAHLLOKOSA-N 1 1 311.853 3.734 40 0 DHABMO c1cncc(-c2nccc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000012670935 563372371 /nfs/dbraw/zinc/37/23/71/563372371.db2.gz QOPIFIMHBKCQAS-YJBOKZPZSA-N 1 1 308.429 3.693 40 0 DHABMO CCc1[nH+]ccn1C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000035170677 563452857 /nfs/dbraw/zinc/45/28/57/563452857.db2.gz IBMHXFBLCGUZRB-SFHVURJKSA-N 1 1 322.408 3.552 40 0 DHABMO CC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 ZINC000585109337 563517566 /nfs/dbraw/zinc/51/75/66/563517566.db2.gz KILBOWZHDDSQGH-XDKFSHSGSA-N 1 1 314.473 3.718 40 0 DHABMO c1cc(C[N@H+]2CC[C@]3(C2)CCCN(c2ccccn2)C3)cs1 ZINC000096216636 563535532 /nfs/dbraw/zinc/53/55/32/563535532.db2.gz YSMUSOLMXQKXMV-SFHVURJKSA-N 1 1 313.470 3.636 40 0 DHABMO [NH3+][C@H](c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1)c1ccccc1 ZINC000095533450 563567638 /nfs/dbraw/zinc/56/76/38/563567638.db2.gz DEUFHSZAADCPOU-ZDUSSCGKSA-N 1 1 318.302 3.539 40 0 DHABMO Cc1ccn2c(c1)[nH+]c(-c1ccc(O)cc1)c2NC[C@H]1CCCO1 ZINC000000417357 563607987 /nfs/dbraw/zinc/60/79/87/563607987.db2.gz PCXNXHUYQZIPQR-MRXNPFEDSA-N 1 1 323.396 3.606 40 0 DHABMO c1ccc(-c2c(C[NH+]3CCOCC3)cnc3ccccc32)cc1 ZINC000013483371 563659741 /nfs/dbraw/zinc/65/97/41/563659741.db2.gz AAIQBTDLNDDEPF-UHFFFAOYSA-N 1 1 304.393 3.734 40 0 DHABMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)o1 ZINC000049169843 563700946 /nfs/dbraw/zinc/70/09/46/563700946.db2.gz ASPSDRNHUZYGTR-INIZCTEOSA-N 1 1 323.396 3.551 40 0 biogenic,in-vitro DHABMO Fc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000049170515 563700978 /nfs/dbraw/zinc/70/09/78/563700978.db2.gz UTXKFSVEIGOLMF-HNNXBMFYSA-N 1 1 323.371 3.865 40 0 biogenic,in-vitro DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1ccc(F)cc1 ZINC000223359338 563733515 /nfs/dbraw/zinc/73/35/15/563733515.db2.gz DVLMDBVDPOCVMH-GOSISDBHSA-N 1 1 320.452 3.529 40 0 DHABMO c1nc(C[N@@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)cs1 ZINC000257230642 563791325 /nfs/dbraw/zinc/79/13/25/563791325.db2.gz GDFFGVJSXXLOLE-AWEZNQCLSA-N 1 1 309.438 3.756 40 0 DHABMO CC(C)Nc1nc(N2CCc3cc(Cl)ccc3C2)cc[nH+]1 ZINC000328967505 563832723 /nfs/dbraw/zinc/83/27/23/563832723.db2.gz CTVGOCGBGKMMCP-UHFFFAOYSA-N 1 1 302.809 3.513 40 0 DHABMO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H](C)O1 ZINC000575421950 563857053 /nfs/dbraw/zinc/85/70/53/563857053.db2.gz DDYRRJSHTGELEI-LMWOUKEDSA-N 1 1 324.262 3.662 40 0 DHABMO Cc1cc[nH+]c(Nc2ccc(I)cc2)c1 ZINC000199716587 563914408 /nfs/dbraw/zinc/91/44/08/563914408.db2.gz UFDFQIKFZFMGRY-UHFFFAOYSA-N 1 1 310.138 3.738 40 0 DHABMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C2 ZINC000101164087 563890881 /nfs/dbraw/zinc/89/08/81/563890881.db2.gz MNJNPLVXBISNSX-BTTYYORXSA-N 1 1 314.212 3.775 40 0 in-man DHABMO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@H+](Cc1ccccc1)C2 ZINC000225487870 563928608 /nfs/dbraw/zinc/92/86/08/563928608.db2.gz TYIPPDUNQRDOQU-SFHVURJKSA-N 1 1 322.408 3.726 40 0 biogenic,in-vitro DHABMO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1N ZINC000218867846 563945599 /nfs/dbraw/zinc/94/55/99/563945599.db2.gz DIKKZBGQGPTGNT-ZMMAXQRCSA-N 1 1 302.462 3.545 40 0 DHABMO Clc1ccccc1C[N@@H+](Cc1ccccn1)C[C@@H]1CCOC1 ZINC000013990813 1022010184 /nfs/dbraw/zinc/01/01/84/1022010184.db2.gz JHLCPDHFKUHYPQ-HNNXBMFYSA-N 1 1 316.832 3.774 40 0 DHABMO Clc1ccccc1C[N@H+](Cc1ccccn1)C[C@@H]1CCOC1 ZINC000013990813 1022010198 /nfs/dbraw/zinc/01/01/98/1022010198.db2.gz JHLCPDHFKUHYPQ-HNNXBMFYSA-N 1 1 316.832 3.774 40 0 DHABMO CCCCC[C@@H](C(=O)c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000299817081 1023306419 /nfs/dbraw/zinc/30/64/19/1023306419.db2.gz APQUWEZHVKBPTI-HNNXBMFYSA-N 1 1 303.402 3.643 40 0 in-vitro DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1cccc(C)c1 ZINC000225579935 186279980 /nfs/dbraw/zinc/27/99/80/186279980.db2.gz LWLLGEMVIBXQJX-QGZVFWFLSA-N 1 1 319.518 3.936 40 0 DHABMO Fc1cccc(C[N@H+]2CCC[C@H]2c2cccc(-n3ccnc3)n2)c1 ZINC000072355497 191128689 /nfs/dbraw/zinc/12/86/89/191128689.db2.gz BZYKBGZWFIIRAX-SFHVURJKSA-N 1 1 322.387 3.744 40 0 DHABMO c1cn(-c2cccc([C@@H]3CCC[N@H+](C4CCCCC4)C3)n2)cn1 ZINC000072378709 191140350 /nfs/dbraw/zinc/14/03/50/191140350.db2.gz QLLSBISZAZPDDY-MRXNPFEDSA-N 1 1 310.445 3.779 40 0 DHABMO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@H+]2C(C)C)s1 ZINC000072386993 191144723 /nfs/dbraw/zinc/14/47/23/191144723.db2.gz GLLDENFCHROCJR-LBPRGKRZSA-N 1 1 303.435 3.530 40 0 DHABMO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@@H+]2C(C)C)s1 ZINC000072386993 191144725 /nfs/dbraw/zinc/14/47/25/191144725.db2.gz GLLDENFCHROCJR-LBPRGKRZSA-N 1 1 303.435 3.530 40 0 DHABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000004183206 181082237 /nfs/dbraw/zinc/08/22/37/181082237.db2.gz SLJQCXKWMCDIOX-AVEIZBFRSA-N 1 1 311.510 3.557 40 0 DHABMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)/C=C/c1ccccc1)C2 ZINC000004887115 181167827 /nfs/dbraw/zinc/16/78/27/181167827.db2.gz FSKCEIFLUVCKHY-MVGRMIATSA-N 1 1 312.457 3.612 40 0 DHABMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1ccc2ccccc2c1 ZINC000005528054 181253633 /nfs/dbraw/zinc/25/36/33/181253633.db2.gz NXCMPCZBKQUWRK-FCEWJHQRSA-N 1 1 313.441 3.842 40 0 DHABMO C[C@@H](Cc1cccc2c1Nc1ccccc1S2)[N@@H+](C)CCO ZINC000005550640 181256013 /nfs/dbraw/zinc/25/60/13/181256013.db2.gz YVMXOTFHWXEJKP-ZDUSSCGKSA-N 1 1 314.454 3.750 40 0 DHABMO CN(C)c1cccc(CC[C@H]2CCCC[N@H+]2Cc2cccnc2)n1 ZINC000257286940 203013956 /nfs/dbraw/zinc/01/39/56/203013956.db2.gz PNSPYMUGHLRQGI-LJQANCHMSA-N 1 1 324.472 3.530 40 0 DHABMO CC(C)[N@H+]1C[C@@H]2CCC[C@H](C1)C2CC(=O)NCc1cccs1 ZINC000096252232 193601873 /nfs/dbraw/zinc/60/18/73/193601873.db2.gz UGTWYEUDIJLKRS-FKEKPDDDSA-N 1 1 320.502 3.511 40 0 DHABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)C1 ZINC000019462610 182124569 /nfs/dbraw/zinc/12/45/69/182124569.db2.gz DYFNFGPTQJSGTM-VBQJREDUSA-N 1 1 313.445 3.892 40 0 DHABMO C=Cn1cc(C[N@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c(C)n1 ZINC000019584205 182132184 /nfs/dbraw/zinc/13/21/84/182132184.db2.gz MMZDMBHLBLOTBX-MRXNPFEDSA-N 1 1 321.428 3.548 40 0 DHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N(C)C3CCCC3)cc2)C1 ZINC000020038905 182183221 /nfs/dbraw/zinc/18/32/21/182183221.db2.gz GADMJEFQKGIUAB-MRXNPFEDSA-N 1 1 314.473 3.933 40 0 DHABMO CCOc1cc(C=O)ccc1OCC[N@H+]1CCCC[C@@H]1CC ZINC000020131589 182190720 /nfs/dbraw/zinc/19/07/20/182190720.db2.gz GXQFIRFONQVAOR-INIZCTEOSA-N 1 1 305.418 3.541 40 0 DHABMO CCOC(=O)N1CC[NH2+][C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000022115382 182309095 /nfs/dbraw/zinc/30/90/95/182309095.db2.gz IHGUOBVQHSJQOW-MSOLQXFVSA-N 1 1 310.397 3.531 40 0 DHABMO Clc1ccc(C[NH+](Cc2ccc(Cl)nc2)C2CC2)cn1 ZINC000044029836 183392719 /nfs/dbraw/zinc/39/27/19/183392719.db2.gz ZOCQQJSWOJQFRN-UHFFFAOYSA-N 1 1 308.212 3.948 40 0 DHABMO C[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1cccc2ncccc12 ZINC000057811533 184055350 /nfs/dbraw/zinc/05/53/50/184055350.db2.gz CRZPDLNSULKVKK-UHFFFAOYSA-N 1 1 308.429 3.887 40 0 DHABMO Cc1cccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000072227447 257122361 /nfs/dbraw/zinc/12/23/61/257122361.db2.gz MEWOSRODEJHKIA-GJZGRUSLSA-N 1 1 321.207 3.717 40 0 DHABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2C)cn1 ZINC000072214663 257125816 /nfs/dbraw/zinc/12/58/16/257125816.db2.gz KKONAWZIRIQULN-HNNXBMFYSA-N 1 1 319.449 4.000 40 0 DHABMO CC[N@H+]1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214455 257126268 /nfs/dbraw/zinc/12/62/68/257126268.db2.gz QTUOZMJFDSLMRC-HNNXBMFYSA-N 1 1 319.449 4.000 40 0 DHABMO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2C)cn1 ZINC000072214844 257126310 /nfs/dbraw/zinc/12/63/10/257126310.db2.gz NRMYGDNKUBBUIN-OAHLLOKOSA-N 1 1 319.449 3.998 40 0 DHABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214317 257126472 /nfs/dbraw/zinc/12/64/72/257126472.db2.gz NCJXSRCIXZWBJY-CQSZACIVSA-N 1 1 305.422 3.974 40 0 DHABMO Brc1ccccc1-c1nc([C@@H]2CCCCC[NH2+]2)no1 ZINC000135964925 563597576 /nfs/dbraw/zinc/59/75/76/563597576.db2.gz RKTXVAUUPDLZJG-LBPRGKRZSA-N 1 1 322.206 3.704 40 0 DHABMO CCCCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000009064387 563644973 /nfs/dbraw/zinc/64/49/73/563644973.db2.gz MZARHNQKXDRWFY-UHFFFAOYSA-N 1 1 323.868 3.611 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1cccc(Cl)c1 ZINC000225867237 563765491 /nfs/dbraw/zinc/76/54/91/563765491.db2.gz AQEFLXQKDVGABB-QGZVFWFLSA-N 1 1 322.880 3.653 40 0 DHABMO CC(C)c1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000001475495 563284116 /nfs/dbraw/zinc/28/41/16/563284116.db2.gz WYGPQADPOSNBCU-GOSISDBHSA-N 1 1 305.462 3.814 40 0 DHABMO CC(C)[N@@H+](C)CCOC(=O)[C@H](c1ccccc1)C1CCCC1 ZINC000001641391 563288864 /nfs/dbraw/zinc/28/88/64/563288864.db2.gz RGWSLNIQOSVCQW-GOSISDBHSA-N 1 1 303.446 3.844 40 0 DHABMO C[C@H](Cc1cccc2c1Nc1ccccc1S2)[N@@H+](C)CCO ZINC000001636907 563288883 /nfs/dbraw/zinc/28/88/83/563288883.db2.gz YVMXOTFHWXEJKP-CYBMUJFWSA-N 1 1 314.454 3.750 40 0 DHABMO C[NH2+]CCCNCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008377178 563346567 /nfs/dbraw/zinc/34/65/67/563346567.db2.gz OSWCTNLVSYTRHK-UHFFFAOYSA-N 1 1 318.848 3.618 40 0 DHABMO C[C@@H]1C[C@@H](OC[C@@H](O)C[N@@H+](C)C2CCCCC2)CC(C)(C)C1 ZINC000012169852 563479642 /nfs/dbraw/zinc/47/96/42/563479642.db2.gz SVDPJYRFEFQLLO-BPQIPLTHSA-N 1 1 311.510 3.843 40 0 DHABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000247884847 563480182 /nfs/dbraw/zinc/48/01/82/563480182.db2.gz SLJQCXKWMCDIOX-DFBDCSAJSA-N 1 1 311.510 3.557 40 0 DHABMO CC(C)C[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccccc2)CC1 ZINC000585100250 563516626 /nfs/dbraw/zinc/51/66/26/563516626.db2.gz IWIAODLQJSTYHU-HXUWFJFHSA-N 1 1 314.473 3.690 40 0 DHABMO CC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 ZINC000585109338 563517521 /nfs/dbraw/zinc/51/75/21/563517521.db2.gz KILBOWZHDDSQGH-XFKAJCMBSA-N 1 1 314.473 3.718 40 0 DHABMO Cc1cc(Nc2ccc(Cl)cc2C(F)(F)F)nc(N)[nH+]1 ZINC000127028760 563520035 /nfs/dbraw/zinc/52/00/35/563520035.db2.gz BIXOPUVSBZYUEU-UHFFFAOYSA-N 1 1 302.687 3.783 40 0 DHABMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)C2 ZINC000100373652 563550144 /nfs/dbraw/zinc/55/01/44/563550144.db2.gz MNJNPLVXBISNSX-WDNDVIMCSA-N 1 1 314.212 3.775 40 0 in-man DHABMO COc1cccc(C[N@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000049169062 563700944 /nfs/dbraw/zinc/70/09/44/563700944.db2.gz XHBOHZSQUGXLGX-HNNXBMFYSA-N 1 1 307.397 3.561 40 0 biogenic,in-vitro DHABMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)cc1 ZINC000049169526 563701227 /nfs/dbraw/zinc/70/12/27/563701227.db2.gz SBXFDCSFEPOQGA-HNNXBMFYSA-N 1 1 309.369 3.628 40 0 biogenic,in-vitro DHABMO C[C@@H](C(=O)Nc1ccccc1F)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008226025 563719769 /nfs/dbraw/zinc/71/97/69/563719769.db2.gz OECUEFNXBZEQOJ-SOUVJXGZSA-N 1 1 304.409 3.665 40 0 DHABMO Cc1cc([C@@H]2c3ccccc3CCC[N@H+]2[C@H]2CCOC2)ccn1 ZINC000248104088 563782973 /nfs/dbraw/zinc/78/29/73/563782973.db2.gz OPOOVEDFDNTLAZ-AZUAARDMSA-N 1 1 308.425 3.517 40 0 DHABMO CCCn1nccc1-c1cccc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257200874 563789730 /nfs/dbraw/zinc/78/97/30/563789730.db2.gz AFEVSIWSGCWKTQ-INIZCTEOSA-N 1 1 312.461 3.943 40 0 DHABMO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC000257230677 563791889 /nfs/dbraw/zinc/79/18/89/563791889.db2.gz GDJUGRDRQCIECZ-CYBMUJFWSA-N 1 1 307.800 3.511 40 0 DHABMO CCNc1cc(N2Cc3ccccc3C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000329037524 563833413 /nfs/dbraw/zinc/83/34/13/563833413.db2.gz ROCLQXWOPQZMPV-CYBMUJFWSA-N 1 1 308.429 3.737 40 0 DHABMO CCNc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C2CC2)n1 ZINC000329037524 563833414 /nfs/dbraw/zinc/83/34/14/563833414.db2.gz ROCLQXWOPQZMPV-CYBMUJFWSA-N 1 1 308.429 3.737 40 0 DHABMO CC(C)Nc1cc(N2CCc3ccccc3C2)nc(C2CC2)[nH+]1 ZINC000329065971 563834468 /nfs/dbraw/zinc/83/44/68/563834468.db2.gz XVYFMHVWASNHCL-UHFFFAOYSA-N 1 1 308.429 3.737 40 0 DHABMO CC(C)Nc1cc(N2CCc3ccccc3C2)[nH+]c(C2CC2)n1 ZINC000329065971 563834471 /nfs/dbraw/zinc/83/44/71/563834471.db2.gz XVYFMHVWASNHCL-UHFFFAOYSA-N 1 1 308.429 3.737 40 0 DHABMO COc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc1OC ZINC000013534184 563839981 /nfs/dbraw/zinc/83/99/81/563839981.db2.gz ZTGJVEWQUBETBR-UHFFFAOYSA-N 1 1 309.409 3.993 40 0 DHABMO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@H+](C4CCC4)C3)nc2c1 ZINC000035446678 563867322 /nfs/dbraw/zinc/86/73/22/563867322.db2.gz HBZILFFEIWXJOS-JTQLQIEISA-N 1 1 309.335 3.924 40 0 biogenic,in-vitro DHABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@@H+](C4CCC4)C3)[nH]c2c1 ZINC000035446678 563867324 /nfs/dbraw/zinc/86/73/24/563867324.db2.gz HBZILFFEIWXJOS-JTQLQIEISA-N 1 1 309.335 3.924 40 0 biogenic,in-vitro DHABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@H+](C4CCC4)C3)[nH]c2c1 ZINC000035446678 563867327 /nfs/dbraw/zinc/86/73/27/563867327.db2.gz HBZILFFEIWXJOS-JTQLQIEISA-N 1 1 309.335 3.924 40 0 biogenic,in-vitro DHABMO CC(C)(C)c1ccc(-c2nnc([C@H]([NH3+])c3ccccc3)[nH]2)cc1 ZINC000095533464 563931850 /nfs/dbraw/zinc/93/18/50/563931850.db2.gz UVNIZPJGGOHQTM-MRXNPFEDSA-N 1 1 306.413 3.817 40 0 DHABMO C[N@H+]1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000082334777 185176200 /nfs/dbraw/zinc/17/62/00/185176200.db2.gz KLPMBJORBKCSRC-SECBINFHSA-N 1 1 320.742 3.639 40 0 DHABMO c1csc([C@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000092788736 185341286 /nfs/dbraw/zinc/34/12/86/185341286.db2.gz SSIFKBCLOCMUMT-INIZCTEOSA-N 1 1 312.438 3.799 40 0 DHABMO CC(C)(C)C[N@H+]1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375163 191140174 /nfs/dbraw/zinc/14/01/74/191140174.db2.gz YUSGQHZGPXAEIZ-OAHLLOKOSA-N 1 1 311.433 3.798 40 0 DHABMO Cc1ncccc1Oc1nccnc1[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000072383513 191144516 /nfs/dbraw/zinc/14/45/16/191144516.db2.gz ZSOUVQTVDJWYPQ-OAHLLOKOSA-N 1 1 312.417 3.560 40 0 DHABMO C[N@H+]1CCC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000005029550 181193218 /nfs/dbraw/zinc/19/32/18/181193218.db2.gz BSKUDKXKAISNDJ-MTEHYEEQSA-N 1 1 301.474 3.914 40 0 DHABMO COc1ccc2[nH]c(C[N@H+]3CCC[C@H](c4n[nH]cc4C)C3)cc2c1 ZINC000257207030 202943486 /nfs/dbraw/zinc/94/34/86/202943486.db2.gz BGBCRDBDXSWZFO-AWEZNQCLSA-N 1 1 324.428 3.588 40 0 DHABMO Cc1cn(C)c([C@@H]2CCC[N@H+]2Cc2cccc3cccnc32)n1 ZINC000257296994 203020800 /nfs/dbraw/zinc/02/08/00/203020800.db2.gz RFHVQPLAOYYWRW-KRWDZBQOSA-N 1 1 306.413 3.614 40 0 DHABMO Cc1cn(C)c([C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)n1 ZINC000257319989 203044682 /nfs/dbraw/zinc/04/46/82/203044682.db2.gz VUWUAFHPXNHSBB-ZDUSSCGKSA-N 1 1 307.800 3.511 40 0 DHABMO CC(C)n1nccc1-c1cccc(C[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000257325487 203048603 /nfs/dbraw/zinc/04/86/03/203048603.db2.gz WTBYTXXITFTNES-MRXNPFEDSA-N 1 1 312.461 3.799 40 0 DHABMO Cc1cccc([C@]2(O)CCC[C@@H]3C[N@@H+](Cc4ccncc4)C[C@@H]32)c1 ZINC000019234490 182111178 /nfs/dbraw/zinc/11/11/78/182111178.db2.gz WZKXWNXCIGMSRI-HLAWJBBLSA-N 1 1 322.452 3.510 40 0 DHABMO C[C@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)[NH2+]1 ZINC000019362656 182118902 /nfs/dbraw/zinc/11/89/02/182118902.db2.gz GUDVQJXODNJRIJ-IRXDYDNUSA-N 1 1 321.468 3.867 40 0 in-vitro DHABMO CN(C)c1ncc(C[N@H+]2CCCC[C@H]2CCc2ccccc2)cn1 ZINC000019585527 182132129 /nfs/dbraw/zinc/13/21/29/182132129.db2.gz XLYXVIUTSXOFJR-IBGZPJMESA-N 1 1 324.472 3.530 40 0 DHABMO CCOc1cc(C=O)ccc1OCC[N@H+]1CCCC[C@H]1CC ZINC000020131592 182190862 /nfs/dbraw/zinc/19/08/62/182190862.db2.gz GXQFIRFONQVAOR-MRXNPFEDSA-N 1 1 305.418 3.541 40 0 DHABMO CCOC(=O)N1CC[NH2+][C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000022115378 182309176 /nfs/dbraw/zinc/30/91/76/182309176.db2.gz IHGUOBVQHSJQOW-ROUUACIJSA-N 1 1 310.397 3.531 40 0 DHABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000038832814 183011669 /nfs/dbraw/zinc/01/16/69/183011669.db2.gz WRNMXHAPFJPEKZ-YLJYHZDGSA-N 1 1 322.452 3.776 40 0 DHABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2C)cn1 ZINC000072214604 257125943 /nfs/dbraw/zinc/12/59/43/257125943.db2.gz QSXLYMLOWRXWQI-CQSZACIVSA-N 1 1 305.422 3.610 40 0 DHABMO CC(C)[N@H+]1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214497 257126098 /nfs/dbraw/zinc/12/60/98/257126098.db2.gz AFQONVVXEXFGSM-OAHLLOKOSA-N 1 1 319.449 3.998 40 0 DHABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2C)cn1 ZINC000072214603 257126408 /nfs/dbraw/zinc/12/64/08/257126408.db2.gz QSXLYMLOWRXWQI-AWEZNQCLSA-N 1 1 305.422 3.610 40 0 DHABMO CCN(CC)C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000038832599 257217458 /nfs/dbraw/zinc/21/74/58/257217458.db2.gz IKOMWRADGXLXDP-UHFFFAOYSA-N 1 1 322.452 3.727 40 0 DHABMO Brc1ccc(-c2nc([C@H]3CCCCC[NH2+]3)no2)cc1 ZINC000135966936 340525418 /nfs/dbraw/zinc/52/54/18/340525418.db2.gz ZQDHULZPVNNEFS-GFCCVEGCSA-N 1 1 322.206 3.704 40 0 DHABMO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000012144506 563362978 /nfs/dbraw/zinc/36/29/78/563362978.db2.gz DVOPRKZTGKARBK-PMSBKCLSSA-N 1 1 323.436 3.710 40 0 DHABMO CCN(CC)C[C@@H](C[NH+](CC(C)C)CC(C)C)NCC(C)C ZINC000022581235 563418870 /nfs/dbraw/zinc/41/88/70/563418870.db2.gz GNOXJLFBYFFUMU-IBGZPJMESA-N 1 1 313.574 3.556 40 0 DHABMO CC(C)CCNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000030752825 563438271 /nfs/dbraw/zinc/43/82/71/563438271.db2.gz ABSYBECBACGWIL-MRXNPFEDSA-N 1 1 302.462 3.694 40 0 DHABMO CC[N@H+](CCO)[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000095934588 563531340 /nfs/dbraw/zinc/53/13/40/563531340.db2.gz FENXSFXFBWZCAT-KRWDZBQOSA-N 1 1 317.816 3.578 40 0 DHABMO CC[N@@H+](CCO)[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000095934588 563531341 /nfs/dbraw/zinc/53/13/41/563531341.db2.gz FENXSFXFBWZCAT-KRWDZBQOSA-N 1 1 317.816 3.578 40 0 DHABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)cs1 ZINC000096057000 563532408 /nfs/dbraw/zinc/53/24/08/563532408.db2.gz WMUHCITWGNZEDZ-ZWKOTPCHSA-N 1 1 321.486 3.546 40 0 DHABMO c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@H+]2Cc2cccnc2)cc1 ZINC000096061593 563532818 /nfs/dbraw/zinc/53/28/18/563532818.db2.gz RWCFTJUNBNYUIY-LEWJYISDSA-N 1 1 322.452 3.694 40 0 DHABMO COc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](CC(C)C)C3)cc1 ZINC000096215268 563535468 /nfs/dbraw/zinc/53/54/68/563535468.db2.gz XOLJLRIEHGBXJO-HXUWFJFHSA-N 1 1 316.489 3.639 40 0 DHABMO CO[C@H]1CC[N@@H+](Cc2csc(C)n2)C[C@@H]1Cc1ccccc1 ZINC000096206249 563535829 /nfs/dbraw/zinc/53/58/29/563535829.db2.gz YDMZLZHPINGFBY-WMZOPIPTSA-N 1 1 316.470 3.531 40 0 DHABMO CC(C)n1nccc1-c1cnc([C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257204290 563789458 /nfs/dbraw/zinc/78/94/58/563789458.db2.gz ATWBDXHALCEUOL-OAHLLOKOSA-N 1 1 313.449 3.509 40 0 DHABMO Cc1ncc(-c2nccnc2C[C@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000257238447 563791606 /nfs/dbraw/zinc/79/16/06/563791606.db2.gz HLABWDQUBHDMAY-CQSZACIVSA-N 1 1 316.474 3.571 40 0 DHABMO Cc1csc(-c2cc([C@@H]3CCC[N@H+](C(C)C)C3)nc(C)n2)n1 ZINC000257232384 563791847 /nfs/dbraw/zinc/79/18/47/563791847.db2.gz GKRGUGMRNJSHRG-CQSZACIVSA-N 1 1 316.474 3.805 40 0 DHABMO c1ccc2c(C[C@H]3CC[N@H+](CC4CCOCC4)C3)ccnc2c1 ZINC000257250674 563792455 /nfs/dbraw/zinc/79/24/55/563792455.db2.gz JNMVRZGCMRSOBY-QGZVFWFLSA-N 1 1 310.441 3.526 40 0 DHABMO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C)n1 ZINC000329025756 563833612 /nfs/dbraw/zinc/83/36/12/563833612.db2.gz PIOGSKHQXZAQKT-ZIAGYGMSSA-N 1 1 310.445 3.947 40 0 DHABMO CCNc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]c(C(C)C)n1 ZINC000329059682 563833827 /nfs/dbraw/zinc/83/38/27/563833827.db2.gz WJEWBGQUPKIQJM-AWEZNQCLSA-N 1 1 310.445 3.983 40 0 DHABMO Cc1cc(C)c(OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000035031451 563873561 /nfs/dbraw/zinc/87/35/61/563873561.db2.gz XSNHSRSRUZLJLL-KSZLIROESA-N 1 1 305.462 3.614 40 0 DHABMO c1cncc(-c2nccc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)n2)c1 ZINC000012670929 563922873 /nfs/dbraw/zinc/92/28/73/563922873.db2.gz QOPIFIMHBKCQAS-MAUKXSAKSA-N 1 1 308.429 3.693 40 0 DHABMO [NH3+][C@@H](c1nnc(-c2cccc(Cl)c2)[nH]1)c1ccc(Cl)cc1 ZINC000095533946 563931745 /nfs/dbraw/zinc/93/17/45/563931745.db2.gz OOXJQOIUSNADAJ-CYBMUJFWSA-N 1 1 319.195 3.827 40 0 DHABMO CN1C[C@@H]2C[N@H+](Cc3ccccc3)[C@@H](CCc3ccccc3)[C@@H]2C1 ZINC000409427907 1014596678 /nfs/dbraw/zinc/59/66/78/1014596678.db2.gz CUJWSDNZRFHQRJ-VSKRKVRLSA-N 1 1 320.480 3.681 40 0 DHABMO CN1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](CCc3ccccc3)[C@@H]2C1 ZINC000409427907 1014596687 /nfs/dbraw/zinc/59/66/87/1014596687.db2.gz CUJWSDNZRFHQRJ-VSKRKVRLSA-N 1 1 320.480 3.681 40 0 DHABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000082336883 185176374 /nfs/dbraw/zinc/17/63/74/185176374.db2.gz XBXBPBIKAVKZHD-HNNXBMFYSA-N 1 1 310.397 3.759 40 0 DHABMO Brc1cccc(Br)c1C[NH+]1CCCC1 ZINC000090413587 185295246 /nfs/dbraw/zinc/29/52/46/185295246.db2.gz OQEGQDBLTFURDR-UHFFFAOYSA-N 1 1 319.040 3.807 40 0 DHABMO COc1c2c(cc3c1C[N@@H+]([C@H](C)c1ccccc1)CC3)OCO2 ZINC000095470484 185372648 /nfs/dbraw/zinc/37/26/48/185372648.db2.gz GSQAIDWMTODYAO-CYBMUJFWSA-N 1 1 311.381 3.543 40 0 DHABMO COc1c2c(cc3c1C[N@H+]([C@H](C)c1ccccc1)CC3)OCO2 ZINC000095470484 185372649 /nfs/dbraw/zinc/37/26/49/185372649.db2.gz GSQAIDWMTODYAO-CYBMUJFWSA-N 1 1 311.381 3.543 40 0 DHABMO C[C@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C(C)(C)C)cc2)C1 ZINC000225592185 186280837 /nfs/dbraw/zinc/28/08/37/186280837.db2.gz UACCWOJZKMYCGJ-HNNXBMFYSA-N 1 1 318.461 3.782 40 0 DHABMO CC(C)(C)C[N@H+]1CCC[C@@H]1c1cccc(Nc2ncccn2)n1 ZINC000072375161 191139896 /nfs/dbraw/zinc/13/98/96/191139896.db2.gz AIYSPHKGZCPQLT-OAHLLOKOSA-N 1 1 311.433 3.798 40 0 DHABMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc(Cl)c1)C2 ZINC000004887158 181167749 /nfs/dbraw/zinc/16/77/49/181167749.db2.gz GVPMEJDOHTYMEW-ALOPSCKCSA-N 1 1 320.864 3.865 40 0 DHABMO Cc1cc(Cl)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000006008720 181305389 /nfs/dbraw/zinc/30/53/89/181305389.db2.gz RAJBMWRBCRIGKM-INIZCTEOSA-N 1 1 311.853 3.653 40 0 DHABMO CC[C@@H](OC[C@@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000006356119 181333918 /nfs/dbraw/zinc/33/39/18/181333918.db2.gz FWILNCFMKJDLDO-OGWHTMIXSA-N 1 1 305.462 3.778 40 0 DHABMO Cc1cn(C)c([C@@H]2CCC[N@@H+]2Cc2ccc3ccccc3n2)n1 ZINC000257318206 203042762 /nfs/dbraw/zinc/04/27/62/203042762.db2.gz VMYPTLYXPSPYRP-SFHVURJKSA-N 1 1 306.413 3.614 40 0 DHABMO Cc1cn(C)c([C@@H]2CCC[N@H+]2Cc2ccc3ccccc3n2)n1 ZINC000257318206 203042765 /nfs/dbraw/zinc/04/27/65/203042765.db2.gz VMYPTLYXPSPYRP-SFHVURJKSA-N 1 1 306.413 3.614 40 0 DHABMO CC(C)(C)c1noc([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)n1 ZINC000019084609 182104395 /nfs/dbraw/zinc/10/43/95/182104395.db2.gz SVTNAKXPBOQHPC-GFCCVEGCSA-N 1 1 321.371 3.635 40 0 DHABMO CCCC(CCC)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019419622 182122796 /nfs/dbraw/zinc/12/27/96/182122796.db2.gz OSHDEAUXWKATNF-UHFFFAOYSA-N 1 1 302.462 3.547 40 0 DHABMO C[N@H+]1CCC[C@H]1c1cc2cccnc2n1Cc1ccc(F)cc1 ZINC000019588705 182132053 /nfs/dbraw/zinc/13/20/53/182132053.db2.gz JUESPYYZNLGUEB-KRWDZBQOSA-N 1 1 309.388 3.990 40 0 DHABMO Cc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000044080806 183394517 /nfs/dbraw/zinc/39/45/17/183394517.db2.gz ZOPXXJCTHNPBBT-CQSZACIVSA-N 1 1 319.518 3.712 40 0 DHABMO Cc1cc(N(C)C)[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072218716 257124309 /nfs/dbraw/zinc/12/43/09/257124309.db2.gz ZOWWGYWBSCVTGW-SFHVURJKSA-N 1 1 323.440 3.823 40 0 DHABMO Cc1[nH+]c(N(C)C)ccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072218776 257124506 /nfs/dbraw/zinc/12/45/06/257124506.db2.gz YMCUMJBAVUWBML-SFHVURJKSA-N 1 1 323.440 3.823 40 0 DHABMO Cc1cc(N)c(NC(=O)C(C)C)cc1[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000216865400 563711697 /nfs/dbraw/zinc/71/16/97/563711697.db2.gz MJLXAJHXTJAJPX-CHWSQXEVSA-N 1 1 303.450 3.654 40 0 DHABMO CC(C)[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000260897713 563781752 /nfs/dbraw/zinc/78/17/52/563781752.db2.gz KNIMVCDNUSUQTQ-HOCLYGCPSA-N 1 1 322.880 3.713 40 0 DHABMO CC(C)CCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000030752829 563438149 /nfs/dbraw/zinc/43/81/49/563438149.db2.gz ABSYBECBACGWIL-INIZCTEOSA-N 1 1 302.462 3.694 40 0 DHABMO C[C@H](c1ccccc1)[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000035080290 563486788 /nfs/dbraw/zinc/48/67/88/563486788.db2.gz ZRRQJEOGSURZRN-DJIMGWMZSA-N 1 1 316.445 3.689 40 0 DHABMO c1ccc(SCc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000068606130 563495376 /nfs/dbraw/zinc/49/53/76/563495376.db2.gz OFWKUXAXAFUNRZ-UHFFFAOYSA-N 1 1 313.466 3.854 40 0 DHABMO c1sc([C@@H]2C[C@@H]3CC[N@H+](CC4CC4)C[C@H]3O2)nc1C1CC1 ZINC000096070695 563532771 /nfs/dbraw/zinc/53/27/71/563532771.db2.gz NGOCNTWOTYVHMW-CWRNSKLLSA-N 1 1 304.459 3.582 40 0 DHABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]21 ZINC000096100368 563533237 /nfs/dbraw/zinc/53/32/37/563533237.db2.gz NLLYNHQOELVISD-FHWLQOOXSA-N 1 1 324.424 3.530 40 0 DHABMO c1ccc(C[N@@H+]2CCC[C@@]3(CCCN3Cc3cccnc3)C2)cc1 ZINC000096214658 563535304 /nfs/dbraw/zinc/53/53/04/563535304.db2.gz PAGPTAITAJIMDN-OAQYLSRUSA-N 1 1 321.468 3.712 40 0 DHABMO c1ccc(CN2CCC[C@@]3(CCC[N@@H+]3Cc3cccnc3)C2)cc1 ZINC000096214658 563535307 /nfs/dbraw/zinc/53/53/07/563535307.db2.gz PAGPTAITAJIMDN-OAQYLSRUSA-N 1 1 321.468 3.712 40 0 DHABMO c1ccc(CN2CCC[C@@]3(CCC[N@H+]3Cc3cccnc3)C2)cc1 ZINC000096214658 563535310 /nfs/dbraw/zinc/53/53/10/563535310.db2.gz PAGPTAITAJIMDN-OAQYLSRUSA-N 1 1 321.468 3.712 40 0 DHABMO c1ccc(C[N@@H+]2CC[C@@H](CNc3ncnc4ccccc43)C2)cc1 ZINC000002048049 563634429 /nfs/dbraw/zinc/63/44/29/563634429.db2.gz UDUVTWVITKQZKA-KRWDZBQOSA-N 1 1 318.424 3.564 40 0 in-vitro DHABMO CC(C)(C)c1nnc([C@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C2)o1 ZINC000049170636 563701008 /nfs/dbraw/zinc/70/10/08/563701008.db2.gz LGYDSJYUQMRIOM-ZDUSSCGKSA-N 1 1 324.428 3.838 40 0 biogenic,in-vitro DHABMO CC(C)[C@@H]1C[C@]2(C)NC(=O)CCCC[C@@H]2[N@H+]1Cc1ccccc1 ZINC000218905062 563717644 /nfs/dbraw/zinc/71/76/44/563717644.db2.gz XFDARQVSZRZNQF-BJLQDIEVSA-N 1 1 314.473 3.734 40 0 DHABMO Cc1cc2nccc([C@@]3(C)CCC[N@H+]3CCc3ccccc3)n2n1 ZINC000257210661 563789544 /nfs/dbraw/zinc/78/95/44/563789544.db2.gz BVPRFDBOJHWJJR-HXUWFJFHSA-N 1 1 320.440 3.591 40 0 DHABMO Cc1cc2nccc([C@]3(C)CCC[N@H+]3CCc3ccccc3)n2n1 ZINC000257210660 563789975 /nfs/dbraw/zinc/78/99/75/563789975.db2.gz BVPRFDBOJHWJJR-FQEVSTJZSA-N 1 1 320.440 3.591 40 0 DHABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2C2CCCCCC2)n1 ZINC000257213914 563790510 /nfs/dbraw/zinc/79/05/10/563790510.db2.gz CJRBSINFCOAXBW-LJQANCHMSA-N 1 1 315.461 3.577 40 0 DHABMO CNc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329040205 563833744 /nfs/dbraw/zinc/83/37/44/563833744.db2.gz SBJDNYDQLIQJSN-UHFFFAOYSA-N 1 1 314.820 3.612 40 0 DHABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000038832816 563923170 /nfs/dbraw/zinc/92/31/70/563923170.db2.gz WRNMXHAPFJPEKZ-XLIONFOSSA-N 1 1 322.452 3.776 40 0 DHABMO CN1C[C@@H]2C[N@H+](Cc3ccccc3)[C@H](CCc3ccccc3)[C@H]2C1 ZINC000409427896 1014597045 /nfs/dbraw/zinc/59/70/45/1014597045.db2.gz CUJWSDNZRFHQRJ-BHIFYINESA-N 1 1 320.480 3.681 40 0 DHABMO CN1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@H](CCc3ccccc3)[C@H]2C1 ZINC000409427896 1014597055 /nfs/dbraw/zinc/59/70/55/1014597055.db2.gz CUJWSDNZRFHQRJ-BHIFYINESA-N 1 1 320.480 3.681 40 0 DHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)cc1C ZINC000143237534 186033654 /nfs/dbraw/zinc/03/36/54/186033654.db2.gz MVNXQEDAAMKLGY-UHFFFAOYSA-N 1 1 319.408 3.728 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1cccc(F)c1 ZINC000225581844 186279593 /nfs/dbraw/zinc/27/95/93/186279593.db2.gz QIGAXFCSFPAUJW-MRXNPFEDSA-N 1 1 323.481 3.767 40 0 DHABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000225592271 186280755 /nfs/dbraw/zinc/28/07/55/186280755.db2.gz IMHVBMVSVPCFIP-HNNXBMFYSA-N 1 1 318.461 3.924 40 0 DHABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccoc2)n1 ZINC000072366758 191136327 /nfs/dbraw/zinc/13/63/27/191136327.db2.gz YQNWKGXHOWXDQO-KRWDZBQOSA-N 1 1 308.385 3.506 40 0 DHABMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(-n3ccnc3)n2)o1 ZINC000072366754 191136618 /nfs/dbraw/zinc/13/66/18/191136618.db2.gz NTYRXICVRXATBU-QGZVFWFLSA-N 1 1 308.385 3.506 40 0 DHABMO c1ccc2c(c1)cncc2C[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000072367958 191136977 /nfs/dbraw/zinc/13/69/77/191136977.db2.gz CXZYEKBNQCPJBV-KRWDZBQOSA-N 1 1 303.409 3.694 40 0 DHABMO CCC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](CC2CC2)C[C@@H]1C ZINC000005046333 181196066 /nfs/dbraw/zinc/19/60/66/181196066.db2.gz FGZVDOOZHOVBIL-KXBFYZLASA-N 1 1 301.430 3.587 40 0 DHABMO c1ccc(CNc2nc(N3CCc4ccccc4C3)cc[nH+]2)cc1 ZINC000243182092 202475981 /nfs/dbraw/zinc/47/59/81/202475981.db2.gz JWSYOGBZZVYIPE-UHFFFAOYSA-N 1 1 316.408 3.651 40 0 DHABMO CC[C@@H](C)c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000006355903 181333733 /nfs/dbraw/zinc/33/37/33/181333733.db2.gz XPSYBIYXGAGNCI-IXDOHACOSA-N 1 1 305.462 3.814 40 0 DHABMO Cc1cnc(C2(C)CC[NH+](Cc3nccn3C(C)C)CC2)s1 ZINC000257293531 203018482 /nfs/dbraw/zinc/01/84/82/203018482.db2.gz QPXHDLKAQVNYRY-UHFFFAOYSA-N 1 1 318.490 3.783 40 0 DHABMO CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019501685 182125698 /nfs/dbraw/zinc/12/56/98/182125698.db2.gz HGAJLESYHYZMID-NSHGMRRFSA-N 1 1 314.473 3.656 40 0 DHABMO CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(C)no2)c(C)n1 ZINC000019524542 182128590 /nfs/dbraw/zinc/12/85/90/182128590.db2.gz CIYNPUNMHSDXSO-MRXNPFEDSA-N 1 1 302.422 3.625 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1cc(C)ccc1C ZINC000020111365 182188216 /nfs/dbraw/zinc/18/82/16/182188216.db2.gz QKVVJIVMHIXNTL-IBGZPJMESA-N 1 1 316.489 3.617 40 0 DHABMO C[NH+](C)CCNCc1ccccc1OCc1ccccc1Cl ZINC000022075023 182307748 /nfs/dbraw/zinc/30/77/48/182307748.db2.gz HFSYJWZTIXDUBB-UHFFFAOYSA-N 1 1 318.848 3.570 40 0 DHABMO COc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000038834168 183010988 /nfs/dbraw/zinc/01/09/88/183010988.db2.gz NTZRXOHLFICHDD-KRWDZBQOSA-N 1 1 324.424 3.546 40 0 DHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000038852357 183011717 /nfs/dbraw/zinc/01/17/17/183011717.db2.gz WGEPMJLEXSDNIJ-UHFFFAOYSA-N 1 1 311.429 3.692 40 0 DHABMO CCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038858871 183012051 /nfs/dbraw/zinc/01/20/51/183012051.db2.gz PPUGDHNYFHLAAI-MRXNPFEDSA-N 1 1 322.880 3.858 40 0 DHABMO CC(C)n1nccc1-c1cccc(C[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000257325486 256621903 /nfs/dbraw/zinc/62/19/03/256621903.db2.gz WTBYTXXITFTNES-INIZCTEOSA-N 1 1 312.461 3.799 40 0 DHABMO CC[N@H+]1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214334 257125929 /nfs/dbraw/zinc/12/59/29/257125929.db2.gz RPINRFQTDFVSEE-CQSZACIVSA-N 1 1 305.422 3.976 40 0 DHABMO CCC[N@H+]1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214320 257126273 /nfs/dbraw/zinc/12/62/73/257126273.db2.gz NFLSYUTZKQRFTB-AWEZNQCLSA-N 1 1 305.422 3.976 40 0 DHABMO C[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215308 257126688 /nfs/dbraw/zinc/12/66/88/257126688.db2.gz GWCSBVCYCUIHJO-OAHLLOKOSA-N 1 1 317.433 3.752 40 0 DHABMO Fc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccccc4F)C3)nc2c1 ZINC000049169003 560085086 /nfs/dbraw/zinc/08/50/86/560085086.db2.gz VJFHPDZZWSGWLH-ZDUSSCGKSA-N 1 1 313.351 3.831 40 0 biogenic,in-vitro DHABMO Fc1ccc2nc([C@H]3CC[N@H+](Cc4ccccc4F)C3)[nH]c2c1 ZINC000049169003 560085088 /nfs/dbraw/zinc/08/50/88/560085088.db2.gz VJFHPDZZWSGWLH-ZDUSSCGKSA-N 1 1 313.351 3.831 40 0 biogenic,in-vitro DHABMO Fc1ccc2nc([C@H]3CC[N@@H+](Cc4ccccc4F)C3)[nH]c2c1 ZINC000049169003 560085090 /nfs/dbraw/zinc/08/50/90/560085090.db2.gz VJFHPDZZWSGWLH-ZDUSSCGKSA-N 1 1 313.351 3.831 40 0 biogenic,in-vitro DHABMO C[NH+](C)C[C@H](OCCc1ccccc1)C(Cl)(Cl)Cl ZINC000001859260 563296848 /nfs/dbraw/zinc/29/68/48/563296848.db2.gz BGKYDFHBAXOXLI-LBPRGKRZSA-N 1 1 310.652 3.546 40 0 DHABMO C[NH+](C)C[C@@H](OCCc1ccccc1)C(Cl)(Cl)Cl ZINC000002027961 563298361 /nfs/dbraw/zinc/29/83/61/563298361.db2.gz BGKYDFHBAXOXLI-GFCCVEGCSA-N 1 1 310.652 3.546 40 0 DHABMO Cc1nn(C)cc1C[N@@H+]1[C@@H]2CC[C@H]1CC(c1ccc(C)cc1)C2 ZINC000013227037 563380371 /nfs/dbraw/zinc/38/03/71/563380371.db2.gz DGGYULLIRKRLLL-CTXDPNEZSA-N 1 1 309.457 3.948 40 0 DHABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)c1 ZINC000096056997 563532196 /nfs/dbraw/zinc/53/21/96/563532196.db2.gz JHDIDDVJHZMBTB-QZTJIDSGSA-N 1 1 321.486 3.546 40 0 DHABMO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccs2)N1c1ccccc1 ZINC000096056613 563532833 /nfs/dbraw/zinc/53/28/33/563532833.db2.gz WANQPJFLRCYFPZ-IAGOWNOFSA-N 1 1 312.438 3.518 40 0 DHABMO CO[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C[C@@H]1Cc1ccccc1 ZINC000096110177 563533342 /nfs/dbraw/zinc/53/33/42/563533342.db2.gz SFKXYWNJFIHWDZ-DLBZAZTESA-N 1 1 316.470 3.531 40 0 DHABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccoc3)C[C@@H]21 ZINC000096100668 563533562 /nfs/dbraw/zinc/53/35/62/563533562.db2.gz PYHIBNAVBFIASU-UFYCRDLUSA-N 1 1 310.441 3.890 40 0 DHABMO c1csc(C[N@H+]2CCc3c(COCC4CC4)cncc3C2)c1 ZINC000096189394 563535332 /nfs/dbraw/zinc/53/53/32/563535332.db2.gz YBNRLXHPECBDMR-UHFFFAOYSA-N 1 1 314.454 3.628 40 0 DHABMO c1csc(C[N@@H+]2CCc3c(COCC4CC4)cncc3C2)c1 ZINC000096189394 563535335 /nfs/dbraw/zinc/53/53/35/563535335.db2.gz YBNRLXHPECBDMR-UHFFFAOYSA-N 1 1 314.454 3.628 40 0 DHABMO CC[N@H+]1C[C@@H]2CCC[C@H](C1)C2CC(=O)Nc1cccc(F)c1 ZINC000096252220 563536182 /nfs/dbraw/zinc/53/61/82/563536182.db2.gz KNPPUMQGRDGDBQ-VMZNBEPHSA-N 1 1 304.409 3.522 40 0 DHABMO CC(C)OC[C@H]1CCC[C@]12C[N@H+](Cc1ccsc1)CCO2 ZINC000107194617 563566484 /nfs/dbraw/zinc/56/64/84/563566484.db2.gz XHOGDJWZYCYWIX-SJORKVTESA-N 1 1 309.475 3.544 40 0 DHABMO CC(C)OC[C@H]1CCC[C@]12C[N@@H+](Cc1ccsc1)CCO2 ZINC000107194617 563566486 /nfs/dbraw/zinc/56/64/86/563566486.db2.gz XHOGDJWZYCYWIX-SJORKVTESA-N 1 1 309.475 3.544 40 0 DHABMO CCN(C(=O)c1ccc(F)cc1)[C@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000019695607 563672164 /nfs/dbraw/zinc/67/21/64/563672164.db2.gz GSBYHCYWDRLEBU-QGZVFWFLSA-N 1 1 318.436 3.695 40 0 DHABMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccc(C)cc4)o3)C2)o1 ZINC000049169931 563701036 /nfs/dbraw/zinc/70/10/36/563701036.db2.gz CXUACMPDKVXMAX-INIZCTEOSA-N 1 1 323.396 3.936 40 0 biogenic,in-vitro DHABMO c1cncc(-c2nnc([C@H]3CC[N@H+](CC4CCCCC4)C3)o2)c1 ZINC000049169653 563701157 /nfs/dbraw/zinc/70/11/57/563701157.db2.gz MVUZBINHQKDTEX-INIZCTEOSA-N 1 1 312.417 3.501 40 0 biogenic,in-vitro DHABMO COC(=O)c1cccc2c(NCc3ccccc3)cc(C)[nH+]c12 ZINC000095951602 563703622 /nfs/dbraw/zinc/70/36/22/563703622.db2.gz IFDMAACRTOXTGC-UHFFFAOYSA-N 1 1 306.365 3.942 40 0 DHABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000248157145 563783033 /nfs/dbraw/zinc/78/30/33/563783033.db2.gz VXWFTHKDKWPKSE-RTWAWAEBSA-N 1 1 324.443 3.674 40 0 DHABMO CN1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000248157145 563783036 /nfs/dbraw/zinc/78/30/36/563783036.db2.gz VXWFTHKDKWPKSE-RTWAWAEBSA-N 1 1 324.443 3.674 40 0 DHABMO CN1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000248157145 563783038 /nfs/dbraw/zinc/78/30/38/563783038.db2.gz VXWFTHKDKWPKSE-RTWAWAEBSA-N 1 1 324.443 3.674 40 0 DHABMO Cc1csc(-c2cc([C@H]3CCC[N@H+](C(C)C)C3)nc(C)n2)n1 ZINC000257232383 563791724 /nfs/dbraw/zinc/79/17/24/563791724.db2.gz GKRGUGMRNJSHRG-AWEZNQCLSA-N 1 1 316.474 3.805 40 0 DHABMO Cc1ncsc1C[N@H+]1CCC[C@@H]1CCc1ccnc(C)c1 ZINC000257233992 563791776 /nfs/dbraw/zinc/79/17/76/563791776.db2.gz GRPNZYDVAANDHC-MRXNPFEDSA-N 1 1 301.459 3.752 40 0 DHABMO CCn1nccc1-c1ccc(C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257325588 563792508 /nfs/dbraw/zinc/79/25/08/563792508.db2.gz WTPXZTFOZRQQMN-KRWDZBQOSA-N 1 1 312.461 3.628 40 0 DHABMO CCC[C@H](C)NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000036124359 563923148 /nfs/dbraw/zinc/92/31/48/563923148.db2.gz RLOTWPNJUFZWDQ-HOTGVXAUSA-N 1 1 302.462 3.837 40 0 DHABMO CC(C)(C)OC(=O)n1ccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000095635424 563923357 /nfs/dbraw/zinc/92/33/57/563923357.db2.gz YMBDJRLDJQKNKQ-UHFFFAOYSA-N 1 1 312.413 3.830 40 0 DHABMO CC(C)(C)OC(=O)n1ccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000095635424 563923359 /nfs/dbraw/zinc/92/33/59/563923359.db2.gz YMBDJRLDJQKNKQ-UHFFFAOYSA-N 1 1 312.413 3.830 40 0 DHABMO Cc1ccccc1O[C@H]1CCCC[C@@H]1[N@@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225717938 563938410 /nfs/dbraw/zinc/93/84/10/563938410.db2.gz FUJSTKVKXGEKGI-LXZJYRNTSA-N 1 1 314.473 3.511 40 0 DHABMO Cc1ccccc1O[C@H]1CCCC[C@@H]1[N@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225717938 563938412 /nfs/dbraw/zinc/93/84/12/563938412.db2.gz FUJSTKVKXGEKGI-LXZJYRNTSA-N 1 1 314.473 3.511 40 0 DHABMO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1N ZINC000218867907 563945606 /nfs/dbraw/zinc/94/56/06/563945606.db2.gz DIKKZBGQGPTGNT-DODZYUBVSA-N 1 1 302.462 3.545 40 0 DHABMO CCCC[C@H](C(=O)c1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000299817181 1020524942 /nfs/dbraw/zinc/52/49/42/1020524942.db2.gz KAWWDIAYCGMAPE-OAHLLOKOSA-N 1 1 305.418 3.541 40 0 in-vitro DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccccc1 ZINC000225579858 186279643 /nfs/dbraw/zinc/27/96/43/186279643.db2.gz QTBIZHCIPOCXGR-MRXNPFEDSA-N 1 1 305.491 3.628 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1cccc(C)c1 ZINC000225579972 186279757 /nfs/dbraw/zinc/27/97/57/186279757.db2.gz LWLLGEMVIBXQJX-KRWDZBQOSA-N 1 1 319.518 3.936 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccccc1F ZINC000225581340 186279996 /nfs/dbraw/zinc/27/99/96/186279996.db2.gz SNAYEQBCNPZXHV-AWEZNQCLSA-N 1 1 323.481 3.767 40 0 DHABMO Fc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(-n3ccnc3)n2)c1 ZINC000072355496 191128833 /nfs/dbraw/zinc/12/88/33/191128833.db2.gz BZYKBGZWFIIRAX-GOSISDBHSA-N 1 1 322.387 3.744 40 0 DHABMO Cc1nccn1-c1cccc([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072379133 191140386 /nfs/dbraw/zinc/14/03/86/191140386.db2.gz SDWKIKQEGMFBBR-INIZCTEOSA-N 1 1 310.445 3.698 40 0 DHABMO CC1=[NH+][C@H](C)CNc2c3ccccc3n(-c3ccccc3)c(=O)c21 ZINC000003844339 181048548 /nfs/dbraw/zinc/04/85/48/181048548.db2.gz GXRMYUCHVVEEIH-CYBMUJFWSA-N 1 1 317.392 3.614 40 0 DHABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000004183209 181082766 /nfs/dbraw/zinc/08/27/66/181082766.db2.gz SLJQCXKWMCDIOX-QXDIGNSFSA-N 1 1 311.510 3.557 40 0 DHABMO C[N@H+]1CCC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000073414523 191313400 /nfs/dbraw/zinc/31/34/00/191313400.db2.gz OAAQBJMVTCBKBU-HXUWFJFHSA-N 1 1 322.452 3.557 40 0 DHABMO CCOCC[N@@H+](CC)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000005699558 181274008 /nfs/dbraw/zinc/27/40/08/181274008.db2.gz AYGOMERSBRPVHA-VQTJNVASSA-N 1 1 313.441 3.820 40 0 DHABMO CC[C@H](OC[C@@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000006355969 181333651 /nfs/dbraw/zinc/33/36/51/181333651.db2.gz FWILNCFMKJDLDO-NBMJBFSESA-N 1 1 305.462 3.778 40 0 DHABMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000016696980 182058391 /nfs/dbraw/zinc/05/83/91/182058391.db2.gz KMIYYGARLIZKPI-LJQANCHMSA-N 1 1 324.424 3.577 40 0 DHABMO Cc1csc([C@H](Cc2ccsc2)[NH2+]Cc2cccnc2)n1 ZINC000019240256 182111624 /nfs/dbraw/zinc/11/16/24/182111624.db2.gz ZDCUGWSRZJUVEF-HNNXBMFYSA-N 1 1 315.467 3.982 40 0 DHABMO C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@@H](C)[NH2+]1 ZINC000019362655 182119286 /nfs/dbraw/zinc/11/92/86/182119286.db2.gz GUDVQJXODNJRIJ-IAGOWNOFSA-N 1 1 321.468 3.867 40 0 in-vitro DHABMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1c(C)nc2ccccn21 ZINC000019654484 182134112 /nfs/dbraw/zinc/13/41/12/182134112.db2.gz XIVDCLZNBKRODR-QGZVFWFLSA-N 1 1 321.424 3.988 40 0 DHABMO CC[N@H+]1CCC[C@@H]1CN(CCc1ccccc1)Cc1ccncc1 ZINC000022913847 182340352 /nfs/dbraw/zinc/34/03/52/182340352.db2.gz ZHTZVUMYEBHYFL-OAQYLSRUSA-N 1 1 323.484 3.611 40 0 DHABMO CCN1CCC[C@@H]1C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000022913847 182340354 /nfs/dbraw/zinc/34/03/54/182340354.db2.gz ZHTZVUMYEBHYFL-OAQYLSRUSA-N 1 1 323.484 3.611 40 0 DHABMO CCN1CCC[C@@H]1C[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC000022913847 182340356 /nfs/dbraw/zinc/34/03/56/182340356.db2.gz ZHTZVUMYEBHYFL-OAQYLSRUSA-N 1 1 323.484 3.611 40 0 DHABMO C[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215367 257125958 /nfs/dbraw/zinc/12/59/58/257125958.db2.gz CYRMQZWQBXZVQE-HNNXBMFYSA-N 1 1 317.433 3.752 40 0 DHABMO CC(C)C[C@H]([NH3+])c1nc(C2=Cc3cc(Cl)ccc3OC2)no1 ZINC000062716607 257129042 /nfs/dbraw/zinc/12/90/42/257129042.db2.gz DVLVMQDVFADKSO-ZDUSSCGKSA-N 1 1 319.792 3.702 40 0 DHABMO CC(C)c1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000001475496 563284106 /nfs/dbraw/zinc/28/41/06/563284106.db2.gz WYGPQADPOSNBCU-SFHVURJKSA-N 1 1 305.462 3.814 40 0 DHABMO CC[C@@H](C)[N@H+](CCCOC(=O)c1ccc(N)cc1)[C@@H](C)CC ZINC000001610524 563287557 /nfs/dbraw/zinc/28/75/57/563287557.db2.gz QWFIELFCSSOVDP-GASCZTMLSA-N 1 1 306.450 3.715 40 0 DHABMO CC[NH+](CC)CCCNc1[nH]cc(C)c2nc3ccncc3c1-2 ZINC000001618132 563287812 /nfs/dbraw/zinc/28/78/12/563287812.db2.gz CQXVVSCTWVUGNF-UHFFFAOYSA-N 1 1 311.433 3.563 40 0 DHABMO CC[C@@H](C)[N@@H+](CC)CCNc1cc(OC)cc2cccnc21 ZINC000001656137 563289318 /nfs/dbraw/zinc/28/93/18/563289318.db2.gz REHJMUQQXLLGHV-CQSZACIVSA-N 1 1 301.434 3.776 40 0 DHABMO C[N@H+]1CCC[C@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2 ZINC000585100615 563516645 /nfs/dbraw/zinc/51/66/45/563516645.db2.gz QASWQTOAYJNRLG-QGZVFWFLSA-N 1 1 324.827 3.570 40 0 DHABMO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)o1 ZINC000096057908 563532748 /nfs/dbraw/zinc/53/27/48/563532748.db2.gz DIUVUJSBVZZRRZ-IPMKNSEASA-N 1 1 319.445 3.527 40 0 DHABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)o1 ZINC000096057908 563532753 /nfs/dbraw/zinc/53/27/53/563532753.db2.gz DIUVUJSBVZZRRZ-IPMKNSEASA-N 1 1 319.445 3.527 40 0 DHABMO c1ccc([C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccncc2)C3)cc1 ZINC000096073458 563533579 /nfs/dbraw/zinc/53/35/79/563533579.db2.gz QJMNXUCVMXNXRP-WOJBJXKFSA-N 1 1 308.425 3.620 40 0 DHABMO Cc1ccc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccco4)C3)C2)o1 ZINC000096215869 563535739 /nfs/dbraw/zinc/53/57/39/563535739.db2.gz JYTDMDGMDZPZMS-LJQANCHMSA-N 1 1 314.429 3.669 40 0 DHABMO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccco4)C3)C2)o1 ZINC000096215869 563535742 /nfs/dbraw/zinc/53/57/42/563535742.db2.gz JYTDMDGMDZPZMS-LJQANCHMSA-N 1 1 314.429 3.669 40 0 DHABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccco4)C3)C2)o1 ZINC000096215869 563535745 /nfs/dbraw/zinc/53/57/45/563535745.db2.gz JYTDMDGMDZPZMS-LJQANCHMSA-N 1 1 314.429 3.669 40 0 DHABMO CC(C)[N@@H+](C)Cc1cncc2c1CCN(Cc1cccs1)C2 ZINC000096189463 563535788 /nfs/dbraw/zinc/53/57/88/563535788.db2.gz UVZMKQVQUJGSBY-UHFFFAOYSA-N 1 1 315.486 3.542 40 0 DHABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC000096251698 563536145 /nfs/dbraw/zinc/53/61/45/563536145.db2.gz QZUYAYWAOMDRRT-LNLFQRSKSA-N 1 1 324.424 3.530 40 0 DHABMO Cc1nc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3OCC(C)C)cs1 ZINC000096252713 563536517 /nfs/dbraw/zinc/53/65/17/563536517.db2.gz MAAXRXITVLCTCI-FKEKPDDDSA-N 1 1 308.491 3.725 40 0 DHABMO Fc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4cccs4)C3)nc2c1 ZINC000049169018 563700890 /nfs/dbraw/zinc/70/08/90/563700890.db2.gz NQNSMTDJAXOAPR-NSHDSACASA-N 1 1 301.390 3.753 40 0 biogenic,in-vitro DHABMO Fc1ccc2nc([C@H]3CC[N@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000049169018 563700892 /nfs/dbraw/zinc/70/08/92/563700892.db2.gz NQNSMTDJAXOAPR-NSHDSACASA-N 1 1 301.390 3.753 40 0 biogenic,in-vitro DHABMO Fc1ccc2nc([C@H]3CC[N@@H+](Cc4cccs4)C3)[nH]c2c1 ZINC000049169018 563700894 /nfs/dbraw/zinc/70/08/94/563700894.db2.gz NQNSMTDJAXOAPR-NSHDSACASA-N 1 1 301.390 3.753 40 0 biogenic,in-vitro DHABMO c1ccc(Cc2nnc([C@H]3CC[N@H+](C4CCCCC4)C3)o2)cc1 ZINC000049169818 563700902 /nfs/dbraw/zinc/70/09/02/563700902.db2.gz BHUJNVNGMNCNMN-INIZCTEOSA-N 1 1 311.429 3.782 40 0 biogenic,in-vitro DHABMO c1ccc(CO[C@@H]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)cc1 ZINC000257241573 563791656 /nfs/dbraw/zinc/79/16/56/563791656.db2.gz HYOXSTKPSGLMMS-PMOLBWCYSA-N 1 1 308.425 3.509 40 0 DHABMO CC(C)Nc1nc(N2Cc3ccccc3C[C@H]2C)cc(C2CC2)[nH+]1 ZINC000329015393 563959884 /nfs/dbraw/zinc/95/98/84/563959884.db2.gz NANOUHSNJBOOIF-CQSZACIVSA-N 1 1 322.456 4.126 40 0 DHABMO CN1C[C@@H]2C[N@H+](Cc3ccccc3)[C@@H](CCc3ccccc3)[C@H]2C1 ZINC000409427905 1014597252 /nfs/dbraw/zinc/59/72/52/1014597252.db2.gz CUJWSDNZRFHQRJ-FSSWDIPSSA-N 1 1 320.480 3.681 40 0 DHABMO CN1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](CCc3ccccc3)[C@H]2C1 ZINC000409427905 1014597256 /nfs/dbraw/zinc/59/72/56/1014597256.db2.gz CUJWSDNZRFHQRJ-FSSWDIPSSA-N 1 1 320.480 3.681 40 0 DHABMO Fc1ccc(-c2[nH+]c3ccccn3c2NC[C@H]2CCCO2)cc1 ZINC000000904076 1019978535 /nfs/dbraw/zinc/97/85/35/1019978535.db2.gz ZFDPJAHSVGWTNB-OAHLLOKOSA-N 1 1 311.360 3.731 40 0 DHABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000082336884 185176333 /nfs/dbraw/zinc/17/63/33/185176333.db2.gz XBXBPBIKAVKZHD-OAHLLOKOSA-N 1 1 310.397 3.759 40 0 DHABMO c1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)cc1 ZINC000072389944 191148279 /nfs/dbraw/zinc/14/82/79/191148279.db2.gz JPYKQRSWPVYZQC-QGZVFWFLSA-N 1 1 320.396 3.511 40 0 DHABMO C[C@@H]1C[N@H+](Cc2c3cccnc3[nH]c2C2CCCC2)C[C@H](C)O1 ZINC000072393346 191149401 /nfs/dbraw/zinc/14/94/01/191149401.db2.gz LCESVPMCNCNJJM-OKILXGFUSA-N 1 1 313.445 3.830 40 0 DHABMO C[N@@H+]1CC=C(c2nc3ccc(Br)cc3s2)CC1 ZINC000073638876 191333870 /nfs/dbraw/zinc/33/38/70/191333870.db2.gz RTLVLAZGSRAEDQ-UHFFFAOYSA-N 1 1 309.232 3.778 40 0 DHABMO C[C@H]1C[C@@H](OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)CC(C)(C)C1 ZINC000005559734 181257488 /nfs/dbraw/zinc/25/74/88/181257488.db2.gz FWSHCMODWGVIGW-IECFSIQFSA-N 1 1 311.510 3.842 40 0 DHABMO CCOC(=O)c1c(C)nc(C(C)C)cc1C[NH+]1CCCCC1 ZINC000006350339 181333093 /nfs/dbraw/zinc/33/30/93/181333093.db2.gz AIMCEAVQZZZANO-UHFFFAOYSA-N 1 1 304.434 3.676 40 0 DHABMO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000006355914 181333815 /nfs/dbraw/zinc/33/38/15/181333815.db2.gz JMGJDVRKPVEILW-XDNAFOTISA-N 1 1 319.489 3.918 40 0 DHABMO CC(C)C[N@H+]1CC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257220035 202953574 /nfs/dbraw/zinc/95/35/74/202953574.db2.gz DJGBQRUVMVYIIN-OAHLLOKOSA-N 1 1 302.393 3.850 40 0 DHABMO c1csc(C[C@@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)n1 ZINC000257301107 203026430 /nfs/dbraw/zinc/02/64/30/203026430.db2.gz RXAGYVQUHXDIOI-HNNXBMFYSA-N 1 1 309.438 3.756 40 0 DHABMO Cc1ncsc1C[N@H+]1CCC[C@H](Cc2cccc(C)n2)C1 ZINC000257277373 203006809 /nfs/dbraw/zinc/00/68/09/203006809.db2.gz NXSOXVHHAKFKJN-OAHLLOKOSA-N 1 1 301.459 3.610 40 0 DHABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000257344343 203067448 /nfs/dbraw/zinc/06/74/48/203067448.db2.gz ZWTWHLBKUUWMAD-QGZVFWFLSA-N 1 1 306.413 3.646 40 0 DHABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019565156 182130380 /nfs/dbraw/zinc/13/03/80/182130380.db2.gz PKEIYCPMEZLRHG-QGZVFWFLSA-N 1 1 321.424 3.951 40 0 DHABMO COc1cccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)[N@H+]2Cc2cccnc2)c1 ZINC000019565989 182130419 /nfs/dbraw/zinc/13/04/19/182130419.db2.gz XAGFKPXRNZMYRL-FUHIMQAGSA-N 1 1 324.424 3.522 40 0 DHABMO CC1CCN(C(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000020460175 182220094 /nfs/dbraw/zinc/22/00/94/182220094.db2.gz FIOGAAMSEWNEHT-QGZVFWFLSA-N 1 1 314.473 3.791 40 0 DHABMO Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038833154 183010851 /nfs/dbraw/zinc/01/08/51/183010851.db2.gz NIMNESAALLKLFC-GOSISDBHSA-N 1 1 308.425 3.846 40 0 DHABMO Cc1ccsc1C[N@@H+](CCCO)Cc1ccc(F)c(F)c1 ZINC000057822648 184055223 /nfs/dbraw/zinc/05/52/23/184055223.db2.gz VQHZPDBZKQJAMC-UHFFFAOYSA-N 1 1 311.397 3.719 40 0 DHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1N ZINC000242463730 257120793 /nfs/dbraw/zinc/12/07/93/257120793.db2.gz DIKKZBGQGPTGNT-VXIBKDFQSA-N 1 1 302.462 3.545 40 0 DHABMO CNc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000072219129 257124066 /nfs/dbraw/zinc/12/40/66/257124066.db2.gz GBXGTIRNLURGME-CQSZACIVSA-N 1 1 305.422 3.894 40 0 DHABMO CNc1cc(C)c([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072219076 257124118 /nfs/dbraw/zinc/12/41/18/257124118.db2.gz SCZIQFVOIDVIMP-KRWDZBQOSA-N 1 1 309.413 3.799 40 0 DHABMO Fc1ccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)[N@H+]2Cc2ccncc2)cc1 ZINC000012085368 563361964 /nfs/dbraw/zinc/36/19/64/563361964.db2.gz VQWMKTDYCZUVSX-HHXXYDBFSA-N 1 1 312.388 3.653 40 0 DHABMO Cc1nn(Cc2ccccc2)c(C)c1/C=C/C1=CC[N@@H+](C)CC1 ZINC000012143034 563362553 /nfs/dbraw/zinc/36/25/53/563362553.db2.gz YMOJNDNHENSGAV-MDZDMXLPSA-N 1 1 307.441 3.823 40 0 DHABMO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1ccnc2ccccc12 ZINC000012143989 563363193 /nfs/dbraw/zinc/36/31/93/563363193.db2.gz JFJSCFXWVWMKMH-MGPUTAFESA-N 1 1 316.408 3.595 40 0 DHABMO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)CCOc1ccccc1 ZINC000012188748 563363652 /nfs/dbraw/zinc/36/36/52/563363652.db2.gz KWEBWTBFVPANRP-UHFFFAOYSA-N 1 1 301.434 3.592 40 0 DHABMO C[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2-c2ccncc2)C1 ZINC000012222023 563364571 /nfs/dbraw/zinc/36/45/71/563364571.db2.gz OSQQIODKZFQJED-AWEZNQCLSA-N 1 1 306.413 3.857 40 0 DHABMO CN(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CCCCC1=C1CCCC[C@@H]12 ZINC000022585502 563419151 /nfs/dbraw/zinc/41/91/51/563419151.db2.gz FXNFBJIRFUKCIC-YRPNKDGESA-N 1 1 302.506 3.787 40 0 DHABMO CC[C@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccccc2)CC1 ZINC000585100193 563517069 /nfs/dbraw/zinc/51/70/69/563517069.db2.gz HLMHPFIYXBXSAN-FXAWDEMLSA-N 1 1 314.473 3.832 40 0 DHABMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccccn2)[C@H]1Cc1ccccc1 ZINC000096061666 563532060 /nfs/dbraw/zinc/53/20/60/563532060.db2.gz VVGIGOHBWBRPNS-RTWAWAEBSA-N 1 1 323.484 3.607 40 0 DHABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccccn3)C[C@@H]21 ZINC000096058324 563532315 /nfs/dbraw/zinc/53/23/15/563532315.db2.gz BJZHWWAUOXWVNP-ACRUOGEOSA-N 1 1 321.468 3.692 40 0 DHABMO COc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](N(C)C)[C@H]3C2)cc1 ZINC000096058314 563532795 /nfs/dbraw/zinc/53/27/95/563532795.db2.gz PTOULLKYIUEFKL-ACRUOGEOSA-N 1 1 322.452 3.527 40 0 DHABMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccsc3)CC2)N1CC1CC1 ZINC000096217939 563535642 /nfs/dbraw/zinc/53/56/42/563535642.db2.gz QAAVJNUUGXNUHR-SFHVURJKSA-N 1 1 318.486 3.505 40 0 DHABMO CCOc1cc(C=O)ccc1OCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008731461 563644280 /nfs/dbraw/zinc/64/42/80/563644280.db2.gz XBDRCLGZZUMWCI-IYBDPMFKSA-N 1 1 319.445 3.645 40 0 DHABMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000014983116 563675757 /nfs/dbraw/zinc/67/57/57/563675757.db2.gz YIYUGJLYGWSLLU-HOCLYGCPSA-N 1 1 307.821 3.761 40 0 DHABMO CC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000225905019 563767302 /nfs/dbraw/zinc/76/73/02/563767302.db2.gz IQWZSYOPKQLFJY-OAHLLOKOSA-N 1 1 322.880 3.714 40 0 DHABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000248157140 563782957 /nfs/dbraw/zinc/78/29/57/563782957.db2.gz VXWFTHKDKWPKSE-NHCUHLMSSA-N 1 1 324.443 3.674 40 0 DHABMO CN1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000248157140 563782961 /nfs/dbraw/zinc/78/29/61/563782961.db2.gz VXWFTHKDKWPKSE-NHCUHLMSSA-N 1 1 324.443 3.674 40 0 DHABMO CN1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000248157140 563782964 /nfs/dbraw/zinc/78/29/64/563782964.db2.gz VXWFTHKDKWPKSE-NHCUHLMSSA-N 1 1 324.443 3.674 40 0 DHABMO CC[N@@H+](Cc1ccccc1)[C@@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019695671 563922844 /nfs/dbraw/zinc/92/28/44/563922844.db2.gz VVNGOLRQRXROGS-IBGZPJMESA-N 1 1 314.473 3.832 40 0 DHABMO CC[C@@H](C)Nc1nc(N2CCc3cc(Cl)ccc3C2)cc[nH+]1 ZINC000328955331 529376085 /nfs/dbraw/zinc/37/60/85/529376085.db2.gz ABVFHRCQHQTLAI-GFCCVEGCSA-N 1 1 316.836 3.903 40 0 DHABMO Cc1csc(Nc2nccnc2[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072363470 191133410 /nfs/dbraw/zinc/13/34/10/191133410.db2.gz HVDFUVYKZMETBM-ZDUSSCGKSA-N 1 1 317.462 3.573 40 0 DHABMO CC(C)(C)C[N@H+]1CCC[C@H]1c1cccc(Nc2ncccn2)n1 ZINC000072375162 191139970 /nfs/dbraw/zinc/13/99/70/191139970.db2.gz AIYSPHKGZCPQLT-HNNXBMFYSA-N 1 1 311.433 3.798 40 0 DHABMO c1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389969 191147739 /nfs/dbraw/zinc/14/77/39/191147739.db2.gz BAHMSNANCGOBEL-KRWDZBQOSA-N 1 1 320.396 3.511 40 0 DHABMO c1cc([C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2c2ccccc2)n[nH]1 ZINC000072395170 191150188 /nfs/dbraw/zinc/15/01/88/191150188.db2.gz NSSFPUIDCQHFQY-VQTJNVASSA-N 1 1 317.436 3.835 40 0 DHABMO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000004011542 181062286 /nfs/dbraw/zinc/06/22/86/181062286.db2.gz FMTHLQDBSCILBQ-MTHXSQLBSA-N 1 1 311.510 3.557 40 0 DHABMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1Cl)C2 ZINC000004887145 181167851 /nfs/dbraw/zinc/16/78/51/181167851.db2.gz ATKYDDIDOPWHDX-GOOCMWNKSA-N 1 1 320.864 3.865 40 0 DHABMO Cc1ccccc1[C@](C)(O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000005504146 181250273 /nfs/dbraw/zinc/25/02/73/181250273.db2.gz PYOMJEQDMMMXAA-HXUWFJFHSA-N 1 1 306.409 3.690 40 0 DHABMO CCn1ncc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)on2)c1C ZINC000019523956 182128366 /nfs/dbraw/zinc/12/83/66/182128366.db2.gz OEZWWMATZITGOW-QGZVFWFLSA-N 1 1 302.422 3.625 40 0 DHABMO CCn1ncc(C[N@H+]2CCCCC[C@@H]2c2cc(C)on2)c1C ZINC000019523956 182128367 /nfs/dbraw/zinc/12/83/67/182128367.db2.gz OEZWWMATZITGOW-QGZVFWFLSA-N 1 1 302.422 3.625 40 0 DHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C=C/c1ccccc1 ZINC000020039628 182183108 /nfs/dbraw/zinc/18/31/08/182183108.db2.gz MKCJTNJLDXYSKD-VAWYXSNFSA-N 1 1 317.392 3.510 40 0 DHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccccc1)Cc1ccncc1 ZINC000023247749 182354335 /nfs/dbraw/zinc/35/43/35/182354335.db2.gz KKELUAQJFRRDDP-HXUWFJFHSA-N 1 1 309.457 3.568 40 0 DHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2C)cc1 ZINC000038833196 183011033 /nfs/dbraw/zinc/01/10/33/183011033.db2.gz ZCULXXKZRVOALV-UHFFFAOYSA-N 1 1 305.381 3.801 40 0 DHABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072227491 257122540 /nfs/dbraw/zinc/12/25/40/257122540.db2.gz NLNQEDWLVOPSES-GJZGRUSLSA-N 1 1 321.207 3.717 40 0 DHABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072227492 257122945 /nfs/dbraw/zinc/12/29/45/257122945.db2.gz NLNQEDWLVOPSES-HUUCEWRRSA-N 1 1 321.207 3.717 40 0 DHABMO Cc1cc(N(C)C)[nH+]cc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072218709 257124499 /nfs/dbraw/zinc/12/44/99/257124499.db2.gz RAGIZQPKTTXRSL-OAHLLOKOSA-N 1 1 319.449 3.918 40 0 DHABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1CC ZINC000072214789 257126027 /nfs/dbraw/zinc/12/60/27/257126027.db2.gz LKDPMAMQXKACMM-OAHLLOKOSA-N 1 1 319.449 4.000 40 0 DHABMO CC(C)[N@H+]1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214377 257126121 /nfs/dbraw/zinc/12/61/21/257126121.db2.gz HCOGKJUYLVXCNG-CQSZACIVSA-N 1 1 305.422 3.974 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCOc1c(C=O)cccc1OC ZINC000008731542 563644231 /nfs/dbraw/zinc/64/42/31/563644231.db2.gz DOEZLIPWEGLPHN-INIZCTEOSA-N 1 1 305.418 3.541 40 0 DHABMO Cc1ccc2[nH+]c(-c3ccc(O)cc3)c(NC[C@H]3CCCO3)n2c1 ZINC000000417323 563252736 /nfs/dbraw/zinc/25/27/36/563252736.db2.gz CTFVPRIWFNUXDY-MRXNPFEDSA-N 1 1 323.396 3.606 40 0 DHABMO COc1ccc(/C=C/[C@@H](O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000001615862 563288258 /nfs/dbraw/zinc/28/82/58/563288258.db2.gz GDNSQQLLCBYQEJ-ZHMLOGAASA-N 1 1 315.457 3.581 40 0 DHABMO CC[C@@H](OC[C@H](O)C[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000002694630 563311747 /nfs/dbraw/zinc/31/17/47/563311747.db2.gz ZYEJBRMTHITMNI-RTBURBONSA-N 1 1 305.462 3.780 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cl)cc1 ZINC000013649246 563384250 /nfs/dbraw/zinc/38/42/50/563384250.db2.gz BBZZUCZDLLAAMX-INIZCTEOSA-N 1 1 308.853 3.724 40 0 DHABMO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccco1 ZINC000036740351 563456921 /nfs/dbraw/zinc/45/69/21/563456921.db2.gz ZZFLBKXRWQGZPD-UHFFFAOYSA-N 1 1 313.376 3.708 40 0 DHABMO Fc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccco1 ZINC000036740351 563456923 /nfs/dbraw/zinc/45/69/23/563456923.db2.gz ZZFLBKXRWQGZPD-UHFFFAOYSA-N 1 1 313.376 3.708 40 0 DHABMO CC(C)c1ccc(OC[C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000037530302 563458281 /nfs/dbraw/zinc/45/82/81/563458281.db2.gz SHFCKFJTPRMDBZ-JZXOWHBKSA-N 1 1 305.462 3.528 40 0 DHABMO CN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000044910178 563464324 /nfs/dbraw/zinc/46/43/24/563464324.db2.gz FNQZKGLAPAJKTF-SFHVURJKSA-N 1 1 308.425 3.562 40 0 DHABMO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)c(C(C)(C)C)c1 ZINC000035031460 563469220 /nfs/dbraw/zinc/46/92/20/563469220.db2.gz OFEQUOJOHSEPLP-IRXDYDNUSA-N 1 1 319.489 3.907 40 0 DHABMO CCC(CC)C[N@H+]1CCC[C@@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099602 563517095 /nfs/dbraw/zinc/51/70/95/563517095.db2.gz SDPHFZWCUMULQT-FQEVSTJZSA-N 1 1 320.521 3.927 40 0 DHABMO CCCC[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccccc2)CC1 ZINC000585100011 563517118 /nfs/dbraw/zinc/51/71/18/563517118.db2.gz CGYBBJOIBKFKNH-HXUWFJFHSA-N 1 1 314.473 3.834 40 0 DHABMO c1cc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cs1 ZINC000096057905 563532613 /nfs/dbraw/zinc/53/26/13/563532613.db2.gz VKGYERQRZKRVQD-RCCFBDPRSA-N 1 1 321.486 3.687 40 0 DHABMO c1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cs1 ZINC000096057905 563532615 /nfs/dbraw/zinc/53/26/15/563532615.db2.gz VKGYERQRZKRVQD-RCCFBDPRSA-N 1 1 321.486 3.687 40 0 DHABMO CN1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3cccs3)C[C@H]12 ZINC000096058414 563532721 /nfs/dbraw/zinc/53/27/21/563532721.db2.gz AXBXJEBMMWIAMQ-RBUKOAKNSA-N 1 1 312.482 3.596 40 0 DHABMO C[N@@H+]1CC[C@]2(c3ccccc3)CCN(Cc3cccs3)C[C@H]12 ZINC000096058414 563532723 /nfs/dbraw/zinc/53/27/23/563532723.db2.gz AXBXJEBMMWIAMQ-RBUKOAKNSA-N 1 1 312.482 3.596 40 0 DHABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(Cc3cccs3)C[C@H]12 ZINC000096058414 563532726 /nfs/dbraw/zinc/53/27/26/563532726.db2.gz AXBXJEBMMWIAMQ-RBUKOAKNSA-N 1 1 312.482 3.596 40 0 DHABMO Cc1nc(-c2cccc(F)c2)nc2c1C[N@@H+](CCC(C)C)CC2 ZINC000096253956 563536217 /nfs/dbraw/zinc/53/62/17/563536217.db2.gz SPLSJCQLOCEZTK-UHFFFAOYSA-N 1 1 313.420 3.995 40 0 DHABMO [NH3+][C@@H](c1nc(-c2ccccc2Cl)n[nH]1)c1ccc(Cl)cc1 ZINC000095533996 563567706 /nfs/dbraw/zinc/56/77/06/563567706.db2.gz XONOXRIXVNDEIP-CYBMUJFWSA-N 1 1 319.195 3.827 40 0 DHABMO Cc1ccccc1C[N@@H+]1CC[C@H](c2nc3ccccc3n2C)C1 ZINC000049171202 563700797 /nfs/dbraw/zinc/70/07/97/563700797.db2.gz UQGBRXRRCBJETP-KRWDZBQOSA-N 1 1 305.425 3.871 40 0 biogenic,in-vitro DHABMO CCc1ccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260742709 563780929 /nfs/dbraw/zinc/78/09/29/563780929.db2.gz YHDSFIKCZYUVLX-HNNXBMFYSA-N 1 1 319.518 3.657 40 0 DHABMO Cc1ncc2cncc(C3CC[NH+](Cc4ccccc4F)CC3)n12 ZINC000257210246 563789939 /nfs/dbraw/zinc/78/99/39/563789939.db2.gz BTTZTUKWHDRGPJ-UHFFFAOYSA-N 1 1 324.403 3.556 40 0 DHABMO CCCCc1ncc(C[N@H+]2CCC[C@H](c3nccs3)C2)[nH]1 ZINC000257228772 563790967 /nfs/dbraw/zinc/79/09/67/563790967.db2.gz FVDURGWMSZKENI-ZDUSSCGKSA-N 1 1 304.463 3.588 40 0 DHABMO CCCCc1nc(CN2CCC[C@H](c3nccs3)C2)c[nH]1 ZINC000257228772 563790970 /nfs/dbraw/zinc/79/09/70/563790970.db2.gz FVDURGWMSZKENI-ZDUSSCGKSA-N 1 1 304.463 3.588 40 0 DHABMO CCCCc1nc(C[N@H+]2CCC[C@H](c3nccs3)C2)c[nH]1 ZINC000257228772 563790974 /nfs/dbraw/zinc/79/09/74/563790974.db2.gz FVDURGWMSZKENI-ZDUSSCGKSA-N 1 1 304.463 3.588 40 0 DHABMO CC[C@H](C)Nc1nc(N2Cc3ccccc3C(C)(C)C2)cc[nH+]1 ZINC000329068675 563834524 /nfs/dbraw/zinc/83/45/24/563834524.db2.gz YRXHLRXMQKPBST-AWEZNQCLSA-N 1 1 310.445 3.985 40 0 DHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N@@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225717906 563938487 /nfs/dbraw/zinc/93/84/87/563938487.db2.gz FUJSTKVKXGEKGI-DOADOZAASA-N 1 1 314.473 3.511 40 0 DHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225717906 563938488 /nfs/dbraw/zinc/93/84/88/563938488.db2.gz FUJSTKVKXGEKGI-DOADOZAASA-N 1 1 314.473 3.511 40 0 DHABMO C[C@@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C(C)(C)C)cc2)C1 ZINC000225592156 186280830 /nfs/dbraw/zinc/28/08/30/186280830.db2.gz UACCWOJZKMYCGJ-OAHLLOKOSA-N 1 1 318.461 3.782 40 0 DHABMO Cc1cccc2[nH+]c(-c3ccc(O)cc3)c(NC[C@@H]3CCCO3)n21 ZINC000000417426 180782549 /nfs/dbraw/zinc/78/25/49/180782549.db2.gz LYILSOOPECFVRW-INIZCTEOSA-N 1 1 323.396 3.606 40 0 DHABMO O[C@@H](C[N@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000006584533 181357260 /nfs/dbraw/zinc/35/72/60/181357260.db2.gz LVJSAEQFGSKBLO-NRFANRHFSA-N 1 1 303.405 3.932 40 0 DHABMO C[N@@H+](C[C@@H](O)CO[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2)C1CCCCC1 ZINC000006617316 181361567 /nfs/dbraw/zinc/36/15/67/181361567.db2.gz NYKSCGZFZQRKJK-ZCDKGFTFSA-N 1 1 323.521 3.843 40 0 DHABMO CC(C)[N@H+]1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257269496 202999981 /nfs/dbraw/zinc/99/99/81/202999981.db2.gz MQGIZSMRZPMDAU-AHCXZYCDSA-N 1 1 301.430 3.787 40 0 DHABMO Cc1ncsc1C[N@H+]1CCC[C@@H](Cc2cccc(C)n2)C1 ZINC000257277372 203007136 /nfs/dbraw/zinc/00/71/36/203007136.db2.gz NXSOXVHHAKFKJN-HNNXBMFYSA-N 1 1 301.459 3.610 40 0 DHABMO CCn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(C)on2)c(C)n1 ZINC000019524549 182127832 /nfs/dbraw/zinc/12/78/32/182127832.db2.gz KTKXNONDYYRDGG-KRWDZBQOSA-N 1 1 302.422 3.625 40 0 DHABMO CCn1cc(C[N@H+]2CCCCC[C@H]2c2cc(C)on2)c(C)n1 ZINC000019524549 182127833 /nfs/dbraw/zinc/12/78/33/182127833.db2.gz KTKXNONDYYRDGG-KRWDZBQOSA-N 1 1 302.422 3.625 40 0 DHABMO COc1cc2c(cc1C[N@@H+]1[C@@H]3CC[C@H]1Cc1ncccc13)CCC2 ZINC000019550506 182128834 /nfs/dbraw/zinc/12/88/34/182128834.db2.gz QIAIKVWDWZEBQT-FXAWDEMLSA-N 1 1 320.436 3.841 40 0 DHABMO COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2cccnc2)c1 ZINC000019565992 182130575 /nfs/dbraw/zinc/13/05/75/182130575.db2.gz XAGFKPXRNZMYRL-SQGPQFPESA-N 1 1 324.424 3.522 40 0 DHABMO CCc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019842630 182155599 /nfs/dbraw/zinc/15/55/99/182155599.db2.gz QPFKHTYJIPXONE-UHFFFAOYSA-N 1 1 324.493 3.742 40 0 DHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000038849309 183011384 /nfs/dbraw/zinc/01/13/84/183011384.db2.gz DWYWUSLJDVIUTF-UHFFFAOYSA-N 1 1 309.344 3.631 40 0 DHABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccsc2)o1 ZINC000043277748 183350333 /nfs/dbraw/zinc/35/03/33/183350333.db2.gz HJBCONLOSUYKIC-UHFFFAOYSA-N 1 1 315.442 3.939 40 0 DHABMO Cc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000072227782 257122664 /nfs/dbraw/zinc/12/26/64/257122664.db2.gz BTDVEIHAOLRLFE-LSDHHAIUSA-N 1 1 321.207 3.717 40 0 DHABMO C[N@@H+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)C1CCCCC1 ZINC000001475516 563284111 /nfs/dbraw/zinc/28/41/11/563284111.db2.gz DLYJEEDHDSBGEA-SFHVURJKSA-N 1 1 319.489 3.988 40 0 DHABMO CC(=O)N1C=Cc2ccccc2[C@@H]1[C@H]1[NH2+]C=Cc2ccccc21 ZINC000001577830 563285748 /nfs/dbraw/zinc/28/57/48/563285748.db2.gz AJSRKSMZXNELTH-VQTJNVASSA-N 1 1 302.377 3.876 40 0 DHABMO Clc1cccc2c1[nH+]c1c(c2N2CCOCC2)CCCC1 ZINC000001621252 563288250 /nfs/dbraw/zinc/28/82/50/563288250.db2.gz ZJRUFYNUXUWLIN-UHFFFAOYSA-N 1 1 302.805 3.604 40 0 DHABMO CCC[N@@H+](CCNc1cc(OC)cc2cccnc21)C(C)C ZINC000001656139 563289092 /nfs/dbraw/zinc/28/90/92/563289092.db2.gz UKYCPYRUGLSQNA-UHFFFAOYSA-N 1 1 301.434 3.776 40 0 DHABMO Fc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2ccncc2)cc1 ZINC000012085369 563361762 /nfs/dbraw/zinc/36/17/62/563361762.db2.gz VQWMKTDYCZUVSX-KVSKMBFKSA-N 1 1 312.388 3.653 40 0 DHABMO CCCOc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(C)ncc12 ZINC000012186514 563364090 /nfs/dbraw/zinc/36/40/90/563364090.db2.gz KVIFUVDMSVAHAY-QFBILLFUSA-N 1 1 323.440 3.836 40 0 DHABMO CCCOc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(C)ncc12 ZINC000012186514 563364092 /nfs/dbraw/zinc/36/40/92/563364092.db2.gz KVIFUVDMSVAHAY-QFBILLFUSA-N 1 1 323.440 3.836 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Cl)cc1 ZINC000013649244 563384101 /nfs/dbraw/zinc/38/41/01/563384101.db2.gz BBZZUCZDLLAAMX-MRXNPFEDSA-N 1 1 308.853 3.724 40 0 DHABMO C[N@H+]1CCC[C@@]12CCN(c1cncc(Oc3ccccc3)c1)C2 ZINC000013975449 563393898 /nfs/dbraw/zinc/39/38/98/563393898.db2.gz YVYIISOHXBZKGQ-IBGZPJMESA-N 1 1 309.413 3.548 40 0 DHABMO CC[N@@H+](CC1(c2ccc(Cl)cc2)CC1)C1CCN(C)CC1 ZINC000036743653 563457532 /nfs/dbraw/zinc/45/75/32/563457532.db2.gz DDIIZJISVIAXLO-UHFFFAOYSA-N 1 1 306.881 3.788 40 0 DHABMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000044790122 563462461 /nfs/dbraw/zinc/46/24/61/563462461.db2.gz GYPZEYWXRZTKMK-GDBMZVCRSA-N 1 1 322.880 3.857 40 0 DHABMO CC(C)C[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 ZINC000585109297 563517621 /nfs/dbraw/zinc/51/76/21/563517621.db2.gz HRECDGGNBVFJFQ-OKZBNKHCSA-N 1 1 314.473 3.575 40 0 DHABMO Cc1ccccc1CN1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC000096070804 563532540 /nfs/dbraw/zinc/53/25/40/563532540.db2.gz MXTSBTZEIQKUQL-UHFFFAOYSA-N 1 1 306.453 3.703 40 0 DHABMO c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccncc2)C3)cc1 ZINC000096073459 563533607 /nfs/dbraw/zinc/53/36/07/563533607.db2.gz QJMNXUCVMXNXRP-VQTJNVASSA-N 1 1 308.425 3.620 40 0 DHABMO c1cc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ccccn2)C3)cs1 ZINC000096216633 563535386 /nfs/dbraw/zinc/53/53/86/563535386.db2.gz YSMUSOLMXQKXMV-GOSISDBHSA-N 1 1 313.470 3.636 40 0 DHABMO Brc1ccccc1-c1nc([C@H]2CCCCC[NH2+]2)no1 ZINC000135964954 563597643 /nfs/dbraw/zinc/59/76/43/563597643.db2.gz RKTXVAUUPDLZJG-GFCCVEGCSA-N 1 1 322.206 3.704 40 0 DHABMO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccco4)C3)o2)cc1 ZINC000049169917 563700735 /nfs/dbraw/zinc/70/07/35/563700735.db2.gz WDROMRXKPJEXPW-HNNXBMFYSA-N 1 1 309.369 3.628 40 0 biogenic,in-vitro DHABMO COc1cccc(C=O)c1OCCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000217792874 563714620 /nfs/dbraw/zinc/71/46/20/563714620.db2.gz RACGSBWQCKZWDM-IYBDPMFKSA-N 1 1 319.445 3.930 40 0 DHABMO CC(C)[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000225229238 563750395 /nfs/dbraw/zinc/75/03/95/563750395.db2.gz KNIMVCDNUSUQTQ-GOEBONIOSA-N 1 1 322.880 3.713 40 0 DHABMO c1nc(C[N@@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)cs1 ZINC000257230643 563791545 /nfs/dbraw/zinc/79/15/45/563791545.db2.gz GDFFGVJSXXLOLE-CQSZACIVSA-N 1 1 309.438 3.756 40 0 DHABMO Cc1ncsc1C[N@H+]1CCC[C@H]1CCc1ccnc(C)c1 ZINC000257233991 563791699 /nfs/dbraw/zinc/79/16/99/563791699.db2.gz GRPNZYDVAANDHC-INIZCTEOSA-N 1 1 301.459 3.752 40 0 DHABMO c1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(-c3cccnc3)o2)cc1 ZINC000257249043 563792343 /nfs/dbraw/zinc/79/23/43/563792343.db2.gz JGKXOKQFDMENLO-QGZVFWFLSA-N 1 1 320.396 3.859 40 0 DHABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(-c3cccnc3)o2)cc1 ZINC000257249043 563792345 /nfs/dbraw/zinc/79/23/45/563792345.db2.gz JGKXOKQFDMENLO-QGZVFWFLSA-N 1 1 320.396 3.859 40 0 DHABMO CCNc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000329037525 563833754 /nfs/dbraw/zinc/83/37/54/563833754.db2.gz ROCLQXWOPQZMPV-ZDUSSCGKSA-N 1 1 308.429 3.737 40 0 DHABMO CCNc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]c(C2CC2)n1 ZINC000329037525 563833757 /nfs/dbraw/zinc/83/37/57/563833757.db2.gz ROCLQXWOPQZMPV-ZDUSSCGKSA-N 1 1 308.429 3.737 40 0 DHABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C)n1 ZINC000329025754 563833923 /nfs/dbraw/zinc/83/39/23/563833923.db2.gz PIOGSKHQXZAQKT-UONOGXRCSA-N 1 1 310.445 3.947 40 0 DHABMO CC[C@@H](C)Nc1nc(N2Cc3ccccc3C(C)(C)C2)cc[nH+]1 ZINC000329068677 563834709 /nfs/dbraw/zinc/83/47/09/563834709.db2.gz YRXHLRXMQKPBST-CQSZACIVSA-N 1 1 310.445 3.985 40 0 DHABMO CC[N@@H+](Cc1ccccc1)[C@H]1CN(C(C)=O)C2(C1)CCCCC2 ZINC000019695672 563922785 /nfs/dbraw/zinc/92/27/85/563922785.db2.gz VVNGOLRQRXROGS-LJQANCHMSA-N 1 1 314.473 3.832 40 0 DHABMO Cc1cc(C)cc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000044080844 563923155 /nfs/dbraw/zinc/92/31/55/563923155.db2.gz GBNCMPMAVAXBOY-AWEZNQCLSA-N 1 1 319.518 3.712 40 0 DHABMO c1cn(CCC[N@H+](Cc2ccncc2)C[C@@H]2CC=CCC2)cn1 ZINC000013991187 1022010304 /nfs/dbraw/zinc/01/03/04/1022010304.db2.gz GDXZNXRJJUYZGU-GOSISDBHSA-N 1 1 310.445 3.527 40 0 DHABMO Cc1ccsc1C[N@H+](Cc1cccc(F)c1F)C[C@H](C)O ZINC000013991643 1022010463 /nfs/dbraw/zinc/01/04/63/1022010463.db2.gz HCLHKZCODNLRSG-LBPRGKRZSA-N 1 1 311.397 3.718 40 0 DHABMO Cc1ccsc1C[N@@H+](Cc1cccc(F)c1F)C[C@H](C)O ZINC000013991643 1022010482 /nfs/dbraw/zinc/01/04/82/1022010482.db2.gz HCLHKZCODNLRSG-LBPRGKRZSA-N 1 1 311.397 3.718 40 0 DHABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cccs2)n1 ZINC000072355427 191129223 /nfs/dbraw/zinc/12/92/23/191129223.db2.gz BNWAUIWOIKFTPW-KRWDZBQOSA-N 1 1 324.453 3.974 40 0 DHABMO C[N@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359280 191130997 /nfs/dbraw/zinc/13/09/97/191130997.db2.gz MBBDDGBSUPFRHX-ZDUSSCGKSA-N 1 1 321.346 3.972 40 0 DHABMO c1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390019 191148670 /nfs/dbraw/zinc/14/86/70/191148670.db2.gz MJZWAHGUYMPAIA-INIZCTEOSA-N 1 1 320.396 3.511 40 0 DHABMO c1cc([C@@H]2C[N@H+](C[C@H]3CC=CCC3)C[C@H]2c2ccccc2)n[nH]1 ZINC000072395191 191150170 /nfs/dbraw/zinc/15/01/70/191150170.db2.gz JGSZVWCSZFRMMG-YTQUADARSA-N 1 1 307.441 3.949 40 0 DHABMO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000006355910 181333623 /nfs/dbraw/zinc/33/36/23/181333623.db2.gz XPSYBIYXGAGNCI-IKGGRYGDSA-N 1 1 305.462 3.814 40 0 DHABMO CC[C@H](OC[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000006355957 181333700 /nfs/dbraw/zinc/33/37/00/181333700.db2.gz FWILNCFMKJDLDO-JFRXWTBNSA-N 1 1 305.462 3.778 40 0 DHABMO CC[C@H](OC[C@H](O)C[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000006355950 181333770 /nfs/dbraw/zinc/33/37/70/181333770.db2.gz ZYEJBRMTHITMNI-MOPGFXCFSA-N 1 1 305.462 3.780 40 0 DHABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000257344342 203067426 /nfs/dbraw/zinc/06/74/26/203067426.db2.gz ZWTWHLBKUUWMAD-KRWDZBQOSA-N 1 1 306.413 3.646 40 0 DHABMO CCCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@H+]2C ZINC000019501530 182126143 /nfs/dbraw/zinc/12/61/43/182126143.db2.gz OEBRELAMVBWQDZ-QWFCFKBJSA-N 1 1 314.473 3.656 40 0 DHABMO Cc1cccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000072227448 257122697 /nfs/dbraw/zinc/12/26/97/257122697.db2.gz MEWOSRODEJHKIA-HUUCEWRRSA-N 1 1 321.207 3.717 40 0 DHABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214318 257125874 /nfs/dbraw/zinc/12/58/74/257125874.db2.gz NCJXSRCIXZWBJY-AWEZNQCLSA-N 1 1 305.422 3.974 40 0 DHABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214394 257126239 /nfs/dbraw/zinc/12/62/39/257126239.db2.gz HAUNIPIPAFSPKJ-CQSZACIVSA-N 1 1 305.422 3.976 40 0 DHABMO CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1C ZINC000072214513 257126372 /nfs/dbraw/zinc/12/63/72/257126372.db2.gz DSXINVWLOVHLFQ-CQSZACIVSA-N 1 1 305.422 3.610 40 0 DHABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1C ZINC000072214813 257126418 /nfs/dbraw/zinc/12/64/18/257126418.db2.gz PPDBHDODHIOFBK-OAHLLOKOSA-N 1 1 319.449 4.000 40 0 DHABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214500 257126674 /nfs/dbraw/zinc/12/66/74/257126674.db2.gz IBWUMXOEODCTMY-HNNXBMFYSA-N 1 1 319.449 4.000 40 0 DHABMO Brc1ccc(-c2nc([C@@H]3CCCCC[NH2+]3)no2)cc1 ZINC000135966901 340525382 /nfs/dbraw/zinc/52/53/82/340525382.db2.gz ZQDHULZPVNNEFS-LBPRGKRZSA-N 1 1 322.206 3.704 40 0 DHABMO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1ccc2ncccc2c1 ZINC000012143987 563363129 /nfs/dbraw/zinc/36/31/29/563363129.db2.gz FVUGIGVESJLLPW-OXJNMPFZSA-N 1 1 316.408 3.595 40 0 DHABMO C[C@@H]1C[C@H](OC[C@@H](O)C[N@@H+](C)C2CCCCC2)CC(C)(C)C1 ZINC000012169861 563479603 /nfs/dbraw/zinc/47/96/03/563479603.db2.gz SVDPJYRFEFQLLO-NJAFHUGGSA-N 1 1 311.510 3.843 40 0 DHABMO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000226724843 563480176 /nfs/dbraw/zinc/48/01/76/563480176.db2.gz GNUQLAUHEYANBI-IXDOHACOSA-N 1 1 305.462 3.528 40 0 DHABMO CC[C@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1 ZINC000585100194 563516540 /nfs/dbraw/zinc/51/65/40/563516540.db2.gz HLMHPFIYXBXSAN-PXNSSMCTSA-N 1 1 314.473 3.832 40 0 DHABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000095533126 563530513 /nfs/dbraw/zinc/53/05/13/563530513.db2.gz ZIFHGHPZOZPZEN-FCEWJHQRSA-N 1 1 313.441 3.557 40 0 DHABMO Cc1ccccc1C[N@@H+]1CCC[C@@]12CCCN(C(=O)C(C)C)C2 ZINC000096071310 563532056 /nfs/dbraw/zinc/53/20/56/563532056.db2.gz CYJRPTIFIAETAY-HXUWFJFHSA-N 1 1 314.473 3.608 40 0 DHABMO Cc1ccc(CN2CCC[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)o1 ZINC000096215865 563535420 /nfs/dbraw/zinc/53/54/20/563535420.db2.gz JYTDMDGMDZPZMS-IBGZPJMESA-N 1 1 314.429 3.669 40 0 DHABMO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4ccco4)C3)C2)o1 ZINC000096215865 563535424 /nfs/dbraw/zinc/53/54/24/563535424.db2.gz JYTDMDGMDZPZMS-IBGZPJMESA-N 1 1 314.429 3.669 40 0 DHABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccco4)C3)C2)o1 ZINC000096215865 563535427 /nfs/dbraw/zinc/53/54/27/563535427.db2.gz JYTDMDGMDZPZMS-IBGZPJMESA-N 1 1 314.429 3.669 40 0 DHABMO Cc1oc2ccccc2c1C[N@@H+](CCO)Cc1cccs1 ZINC000013997488 563548305 /nfs/dbraw/zinc/54/83/05/563548305.db2.gz PKFJJMXLQFFVQL-UHFFFAOYSA-N 1 1 301.411 3.797 40 0 DHABMO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)c1 ZINC000107751964 563567156 /nfs/dbraw/zinc/56/71/56/563567156.db2.gz JHDIDDVJHZMBTB-ROUUACIJSA-N 1 1 321.486 3.546 40 0 DHABMO CCOc1cc(C=O)ccc1OCCC[N@H+]1CCCC[C@@H]1CC ZINC000008731540 563644326 /nfs/dbraw/zinc/64/43/26/563644326.db2.gz IPQBYUCPQQDSAF-KRWDZBQOSA-N 1 1 319.445 3.931 40 0 DHABMO CC(C)n1nccc1-c1cnc([C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257204289 563790005 /nfs/dbraw/zinc/79/00/05/563790005.db2.gz ATWBDXHALCEUOL-HNNXBMFYSA-N 1 1 313.449 3.509 40 0 DHABMO Cc1cn(C)c([C@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC000257230678 563791448 /nfs/dbraw/zinc/79/14/48/563791448.db2.gz GDJUGRDRQCIECZ-ZDUSSCGKSA-N 1 1 307.800 3.511 40 0 DHABMO CC(C)N1CCCC[C@@H]1c1csc([N-]c2ncccn2)n1 ZINC000257261052 563792471 /nfs/dbraw/zinc/79/24/71/563792471.db2.gz LFNMHYAMCXXWNQ-CYBMUJFWSA-N 1 1 303.435 3.612 40 0 DHABMO C[C@H]1Cc2ccccc2CN1c1cc(NC2CC2)[nH+]c(C2CC2)n1 ZINC000329063313 563834005 /nfs/dbraw/zinc/83/40/05/563834005.db2.gz XCHPDISFEIPVIV-ZDUSSCGKSA-N 1 1 320.440 3.880 40 0 DHABMO C[C@H]1Cc2ccccc2CN1c1cc(NC2CC2)nc(C2CC2)[nH+]1 ZINC000329063313 563834009 /nfs/dbraw/zinc/83/40/09/563834009.db2.gz XCHPDISFEIPVIV-ZDUSSCGKSA-N 1 1 320.440 3.880 40 0 DHABMO CCC[N@H+]1CC[C@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 ZINC000019738900 563922867 /nfs/dbraw/zinc/92/28/67/563922867.db2.gz VZTIUOZUOCIJIZ-ZDUSSCGKSA-N 1 1 319.836 3.841 40 0 DHABMO CCC[N@@H+]1CC[C@H](c2cc(COc3ccc(Cl)cc3)n[nH]2)C1 ZINC000019738900 563922869 /nfs/dbraw/zinc/92/28/69/563922869.db2.gz VZTIUOZUOCIJIZ-ZDUSSCGKSA-N 1 1 319.836 3.841 40 0 DHABMO CCC[N@H+]1CC[C@H](c2cc(COc3ccc(Cl)cc3)n[nH]2)C1 ZINC000019738900 563922870 /nfs/dbraw/zinc/92/28/70/563922870.db2.gz VZTIUOZUOCIJIZ-ZDUSSCGKSA-N 1 1 319.836 3.841 40 0 DHABMO CC[N@@H+](C)[C@H]1CN(C(=O)c2ccccc2)C2(C1)CCCCC2 ZINC000019704915 563930425 /nfs/dbraw/zinc/93/04/25/563930425.db2.gz IRAJNVRXTZLCIM-QGZVFWFLSA-N 1 1 300.446 3.556 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1ccccc1F ZINC000225585160 186280586 /nfs/dbraw/zinc/28/05/86/186280586.db2.gz VMODGJQYQBVJGB-KRWDZBQOSA-N 1 1 320.452 3.529 40 0 DHABMO Cc1ccc2[nH+]c(-c3ccc(O)cc3)c(NC[C@@H]3CCCO3)n2c1 ZINC000000417324 180782289 /nfs/dbraw/zinc/78/22/89/180782289.db2.gz CTFVPRIWFNUXDY-INIZCTEOSA-N 1 1 323.396 3.606 40 0 DHABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000004183205 181082397 /nfs/dbraw/zinc/08/23/97/181082397.db2.gz SLJQCXKWMCDIOX-SFFUCWETSA-N 1 1 311.510 3.557 40 0 DHABMO C[C@H]1C[C@@H](OC[C@H](O)C[N@@H+](C)C2CCCCC2)CC(C)(C)C1 ZINC000006008113 181305353 /nfs/dbraw/zinc/30/53/53/181305353.db2.gz SVDPJYRFEFQLLO-CGTJXYLNSA-N 1 1 311.510 3.843 40 0 DHABMO Fc1cccc(Cc2cnc([C@@H]3CCC[N@@H+](CC4CC4)C3)o2)c1 ZINC000257275806 203003106 /nfs/dbraw/zinc/00/31/06/203003106.db2.gz NQYRBWBRRFDEMP-MRXNPFEDSA-N 1 1 314.404 3.994 40 0 DHABMO Cc1nc(-c2ccc(C[C@@H]3CCC[N@H+](C)C3)cn2)sc1C ZINC000257289129 203015433 /nfs/dbraw/zinc/01/54/33/203015433.db2.gz PXBYSUFWABWCFJ-HNNXBMFYSA-N 1 1 301.459 3.706 40 0 DHABMO c1csc(C[C@@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)n1 ZINC000257327303 203052010 /nfs/dbraw/zinc/05/20/10/203052010.db2.gz XAWNOMCPCIWYIO-AWEZNQCLSA-N 1 1 309.438 3.756 40 0 DHABMO Fc1ccccc1C[N@H+]1CC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000257313509 203039236 /nfs/dbraw/zinc/03/92/36/203039236.db2.gz USWQNEPQEGHABZ-INIZCTEOSA-N 1 1 323.371 3.865 40 0 DHABMO Cc1cccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)n1 ZINC000019236104 182111299 /nfs/dbraw/zinc/11/12/99/182111299.db2.gz KMZRBTDOSUWXCE-IBGZPJMESA-N 1 1 314.404 3.710 40 0 DHABMO Cc1cccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)n1 ZINC000019236104 182111302 /nfs/dbraw/zinc/11/13/02/182111302.db2.gz KMZRBTDOSUWXCE-IBGZPJMESA-N 1 1 314.404 3.710 40 0 DHABMO COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2ccncc2)c1 ZINC000019566015 182130073 /nfs/dbraw/zinc/13/00/73/182130073.db2.gz BBTRJBRIOVGVLB-QKLQHJQFSA-N 1 1 324.424 3.522 40 0 DHABMO COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)[N@H+]2Cc2ccncc2)c1 ZINC000019566013 182130121 /nfs/dbraw/zinc/13/01/21/182130121.db2.gz BBTRJBRIOVGVLB-UWVAXJGDSA-N 1 1 324.424 3.522 40 0 DHABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc1 ZINC000019555189 182130568 /nfs/dbraw/zinc/13/05/68/182130568.db2.gz PHGXRPREDRUJMC-QGZVFWFLSA-N 1 1 321.424 3.951 40 0 DHABMO Oc1c(Br)cc(C[NH+]2CCCCC2)c2cccnc12 ZINC000020506502 182225847 /nfs/dbraw/zinc/22/58/47/182225847.db2.gz RBGQXVWUYJJKBV-UHFFFAOYSA-N 1 1 321.218 3.689 40 0 DHABMO CCC[C@H](C)NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000022512977 182324196 /nfs/dbraw/zinc/32/41/96/182324196.db2.gz RLOTWPNJUFZWDQ-CVEARBPZSA-N 1 1 302.462 3.837 40 0 DHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CCCCC3)cc2)C1 ZINC000038832574 183011079 /nfs/dbraw/zinc/01/10/79/183011079.db2.gz ILMRSYDPMRVVEF-INIZCTEOSA-N 1 1 314.473 3.981 40 0 DHABMO Cc1cc(N2CCCCCC2)[nH+]cc1CNC(=O)OC(C)(C)C ZINC000072223521 257123744 /nfs/dbraw/zinc/12/37/44/257123744.db2.gz VXKRPFFNUAZNJY-UHFFFAOYSA-N 1 1 319.449 3.795 40 0 DHABMO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072214453 257126612 /nfs/dbraw/zinc/12/66/12/257126612.db2.gz LCHWPDLITQNXHN-CQSZACIVSA-N 1 1 305.422 3.610 40 0 DHABMO CC(C)[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000260897714 563781507 /nfs/dbraw/zinc/78/15/07/563781507.db2.gz KNIMVCDNUSUQTQ-ZBFHGGJFSA-N 1 1 322.880 3.713 40 0 DHABMO CC[C@H](C)c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C)C1 ZINC000226724101 563479985 /nfs/dbraw/zinc/47/99/85/563479985.db2.gz JHQZQXQDMVUSSM-IXDOHACOSA-N 1 1 305.462 3.672 40 0 DHABMO C[N@@H+](CCC(c1ccccc1)c1ccccc1)C[C@H]1CCC(=O)O1 ZINC000068605943 563495876 /nfs/dbraw/zinc/49/58/76/563495876.db2.gz VEQVCDZYARPSOU-LJQANCHMSA-N 1 1 323.436 3.846 40 0 DHABMO COc1ccc(-c2[nH+]c3ccccn3c2NC(C)(C)C)cc1O ZINC000000411922 563608282 /nfs/dbraw/zinc/60/82/82/563608282.db2.gz ATWBCLYKGHFOQH-UHFFFAOYSA-N 1 1 311.385 3.926 40 0 DHABMO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)C(C)C ZINC000004230403 563622841 /nfs/dbraw/zinc/62/28/41/563622841.db2.gz YIACVEFLTUJTMM-INIZCTEOSA-N 1 1 315.465 3.647 40 0 DHABMO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)C(C)C ZINC000004230403 563622843 /nfs/dbraw/zinc/62/28/43/563622843.db2.gz YIACVEFLTUJTMM-INIZCTEOSA-N 1 1 315.465 3.647 40 0 DHABMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)NC1CCCCC1)C2 ZINC000012498995 563652429 /nfs/dbraw/zinc/65/24/29/563652429.db2.gz LRLKVCCHWYVSDI-ALOPSCKCSA-N 1 1 323.550 3.579 40 0 DHABMO c1cc(-c2nnc([C@H]3CC[N@H+](CC4CCCCC4)C3)o2)ccn1 ZINC000049169561 563700839 /nfs/dbraw/zinc/70/08/39/563700839.db2.gz LKQLCROLDZTHIH-INIZCTEOSA-N 1 1 312.417 3.501 40 0 biogenic,in-vitro DHABMO COc1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4n3C)C2)cc1 ZINC000049171147 563700906 /nfs/dbraw/zinc/70/09/06/563700906.db2.gz DCPXDOPAQPISCF-INIZCTEOSA-N 1 1 321.424 3.571 40 0 biogenic,in-vitro DHABMO COc1cc(C=O)ccc1OCCCC[N@H+]1CCCC[C@@H]1C ZINC000217797330 563714547 /nfs/dbraw/zinc/71/45/47/563714547.db2.gz QSFBZJHQZMACKW-HNNXBMFYSA-N 1 1 305.418 3.541 40 0 DHABMO COc1cccc(C=O)c1OCCCC[N@H+]1CCCC[C@H]1C ZINC000217792686 563714746 /nfs/dbraw/zinc/71/47/46/563714746.db2.gz IHSUEFLVDRNMMB-OAHLLOKOSA-N 1 1 305.418 3.541 40 0 DHABMO CC1(c2nccs2)CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000257214170 563790959 /nfs/dbraw/zinc/79/09/59/563790959.db2.gz CKWSGMUQVZTOJL-UHFFFAOYSA-N 1 1 307.850 3.745 40 0 DHABMO Cc1cccc(C[N@@H+](C)Cc2cnc([C@@H]3CCCCO3)nc2)c1 ZINC000257245254 563791809 /nfs/dbraw/zinc/79/18/09/563791809.db2.gz IORKXOJNPBFPLZ-SFHVURJKSA-N 1 1 311.429 3.659 40 0 DHABMO Cc1cccc(C[N@H+](C)Cc2cnc([C@@H]3CCCCO3)nc2)c1 ZINC000257245254 563791811 /nfs/dbraw/zinc/79/18/11/563791811.db2.gz IORKXOJNPBFPLZ-SFHVURJKSA-N 1 1 311.429 3.659 40 0 DHABMO Cc1nc(NC(C)C)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000328993050 563832715 /nfs/dbraw/zinc/83/27/15/563832715.db2.gz IYCXNQMDSXQBIX-UHFFFAOYSA-N 1 1 310.445 3.947 40 0 DHABMO Cc1nc(NC(C)C)cc(N2Cc3ccccc3C(C)(C)C2)[nH+]1 ZINC000329024565 563833973 /nfs/dbraw/zinc/83/39/73/563833973.db2.gz PBBMJPNGOPBZOM-UHFFFAOYSA-N 1 1 310.445 3.903 40 0 DHABMO CC[N@@H+](C[C@@H](O)COc1cccc(C)c1C)C1CCCCC1 ZINC000026780464 563873473 /nfs/dbraw/zinc/87/34/73/563873473.db2.gz GGXUGBBTPCXPIK-GOSISDBHSA-N 1 1 305.462 3.698 40 0 DHABMO Clc1ccc(C[N@@H+]2CCOC[C@H](Oc3ccccc3)C2)cc1 ZINC000096113199 563935395 /nfs/dbraw/zinc/93/53/95/563935395.db2.gz VVLVBUQJJKACHU-GOSISDBHSA-N 1 1 317.816 3.620 40 0 biogenic,in-vitro DHABMO Clc1ccc(C[N@H+]2CCOC[C@H](Oc3ccccc3)C2)cc1 ZINC000096113199 563935396 /nfs/dbraw/zinc/93/53/96/563935396.db2.gz VVLVBUQJJKACHU-GOSISDBHSA-N 1 1 317.816 3.620 40 0 biogenic,in-vitro DHABMO Cc1ccccc1O[C@H]1CCCC[C@H]1[N@@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225717980 563938426 /nfs/dbraw/zinc/93/84/26/563938426.db2.gz FUJSTKVKXGEKGI-RMJJICAUSA-N 1 1 314.473 3.511 40 0 DHABMO Cc1ccccc1O[C@H]1CCCC[C@H]1[N@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225717980 563938427 /nfs/dbraw/zinc/93/84/27/563938427.db2.gz FUJSTKVKXGEKGI-RMJJICAUSA-N 1 1 314.473 3.511 40 0 DHABMO c1csc([C@@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)n1 ZINC000092788737 185341401 /nfs/dbraw/zinc/34/14/01/185341401.db2.gz SSIFKBCLOCMUMT-MRXNPFEDSA-N 1 1 312.438 3.799 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccccc1F ZINC000225581313 186279844 /nfs/dbraw/zinc/27/98/44/186279844.db2.gz SNAYEQBCNPZXHV-CQSZACIVSA-N 1 1 323.481 3.767 40 0 DHABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000225592237 186280979 /nfs/dbraw/zinc/28/09/79/186280979.db2.gz IMHVBMVSVPCFIP-OAHLLOKOSA-N 1 1 318.461 3.924 40 0 DHABMO Fc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(-n2ccnc2)n1 ZINC000072355430 191128916 /nfs/dbraw/zinc/12/89/16/191128916.db2.gz DHTUKQZEARSKPA-SFHVURJKSA-N 1 1 322.387 3.744 40 0 DHABMO Cc1nc(Nc2nccs2)cc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072360151 191130462 /nfs/dbraw/zinc/13/04/62/191130462.db2.gz ITPMPJKTVYWWJV-ZDUSSCGKSA-N 1 1 303.435 3.530 40 0 DHABMO Cc1nc(Nc2nccs2)cc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072360152 191131633 /nfs/dbraw/zinc/13/16/33/191131633.db2.gz ITPMPJKTVYWWJV-CYBMUJFWSA-N 1 1 303.435 3.530 40 0 DHABMO c1ccc2c(c1)cncc2C[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000072367959 191137319 /nfs/dbraw/zinc/13/73/19/191137319.db2.gz CXZYEKBNQCPJBV-QGZVFWFLSA-N 1 1 303.409 3.694 40 0 DHABMO Cc1ncccc1Oc1nccnc1[C@H]1CCC[N@H+](C(C)C)C1 ZINC000072383514 191143812 /nfs/dbraw/zinc/14/38/12/191143812.db2.gz ZSOUVQTVDJWYPQ-HNNXBMFYSA-N 1 1 312.417 3.560 40 0 DHABMO S=C(Nc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CC1 ZINC000004856987 181163910 /nfs/dbraw/zinc/16/39/10/181163910.db2.gz RSUHUEUPLLOEOC-ZXFUBFMLSA-N 1 1 315.486 3.521 40 0 DHABMO CCC(=O)O[C@]1(c2ccccc2)CC[N@@H+](CC2CC2)C[C@@H]1C ZINC000005046332 181196135 /nfs/dbraw/zinc/19/61/35/181196135.db2.gz FGZVDOOZHOVBIL-HNAYVOBHSA-N 1 1 301.430 3.587 40 0 DHABMO COc1ccc(/C=C/[C@H](O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000005639894 181267328 /nfs/dbraw/zinc/26/73/28/181267328.db2.gz GDNSQQLLCBYQEJ-IKGZYHIYSA-N 1 1 315.457 3.581 40 0 DHABMO Cc1cc(Cl)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000006008712 181305420 /nfs/dbraw/zinc/30/54/20/181305420.db2.gz RAJBMWRBCRIGKM-MRXNPFEDSA-N 1 1 311.853 3.653 40 0 DHABMO C[N@@H+]1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1C(=O)c1ccccc1 ZINC000013838398 181905721 /nfs/dbraw/zinc/90/57/21/181905721.db2.gz VTNNMVYLMVDTCG-VAMGGRTRSA-N 1 1 323.436 3.846 40 0 DHABMO C[N@H+]1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1C(=O)c1ccccc1 ZINC000013838398 181905723 /nfs/dbraw/zinc/90/57/23/181905723.db2.gz VTNNMVYLMVDTCG-VAMGGRTRSA-N 1 1 323.436 3.846 40 0 DHABMO c1csc(C[N@H+]2CC[C@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019343389 182117119 /nfs/dbraw/zinc/11/71/19/182117119.db2.gz PMLQNIZCWSWBAX-NSHDSACASA-N 1 1 317.439 3.849 40 0 DHABMO Fc1ccc(-c2n[nH]c3c2C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000019372297 182121192 /nfs/dbraw/zinc/12/11/92/182121192.db2.gz HXLUKBAZQVQNRK-UHFFFAOYSA-N 1 1 307.372 3.774 40 0 DHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N@@H+]1CCN[C@H]2CCC[C@@H]21 ZINC000252515019 257106636 /nfs/dbraw/zinc/10/66/36/257106636.db2.gz FUJSTKVKXGEKGI-CGBFIWBNSA-N 1 1 314.473 3.511 40 0 DHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N@H+]1CCN[C@H]2CCC[C@@H]21 ZINC000252515019 257106637 /nfs/dbraw/zinc/10/66/37/257106637.db2.gz FUJSTKVKXGEKGI-CGBFIWBNSA-N 1 1 314.473 3.511 40 0 DHABMO Cc1cc(N(C)C)[nH+]cc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072218717 257124337 /nfs/dbraw/zinc/12/43/37/257124337.db2.gz ZOWWGYWBSCVTGW-GOSISDBHSA-N 1 1 323.440 3.823 40 0 DHABMO CNc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c(C)[nH+]1 ZINC000072219136 257124559 /nfs/dbraw/zinc/12/45/59/257124559.db2.gz VBNBIFZHOUVEMM-KRWDZBQOSA-N 1 1 309.413 3.799 40 0 DHABMO Cc1cc(N(C)C)[nH+]cc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072218678 257125044 /nfs/dbraw/zinc/12/50/44/257125044.db2.gz JTTUFZOITPGJAX-CQSZACIVSA-N 1 1 305.422 3.528 40 0 DHABMO CCC[N@H+]1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214319 257125890 /nfs/dbraw/zinc/12/58/90/257125890.db2.gz NFLSYUTZKQRFTB-CQSZACIVSA-N 1 1 305.422 3.976 40 0 DHABMO CCC[N@H+]1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214380 257126161 /nfs/dbraw/zinc/12/61/61/257126161.db2.gz YAWHDDMFCOZZIY-AWEZNQCLSA-N 1 1 305.422 3.976 40 0 DHABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1C ZINC000072214784 257126199 /nfs/dbraw/zinc/12/61/99/257126199.db2.gz LSHVDJPNNJFOJH-CQSZACIVSA-N 1 1 305.422 3.610 40 0 DHABMO C[NH2+]CCCNCc1cccc(OCc2ccccc2Cl)c1 ZINC000008377193 563346515 /nfs/dbraw/zinc/34/65/15/563346515.db2.gz HENVKVNUFDMFSQ-UHFFFAOYSA-N 1 1 318.848 3.618 40 0 DHABMO COc1cccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)[N@H+]2Cc2ccccn2)c1 ZINC000012085263 563361662 /nfs/dbraw/zinc/36/16/62/563361662.db2.gz YBKLQPLDFPGHIL-OXFYSEKESA-N 1 1 324.424 3.522 40 0 DHABMO COc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000030697875 563437569 /nfs/dbraw/zinc/43/75/69/563437569.db2.gz KGBITJAKXSMOTK-UHFFFAOYSA-N 1 1 321.380 3.501 40 0 DHABMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000044790125 563462500 /nfs/dbraw/zinc/46/25/00/563462500.db2.gz GYPZEYWXRZTKMK-GOEBONIOSA-N 1 1 322.880 3.857 40 0 DHABMO Cc1ccc(C[N@@H+]2CCCn3cnc(COC(C)C)c3C2)s1 ZINC000096059048 563532665 /nfs/dbraw/zinc/53/26/65/563532665.db2.gz GWDYTRNEIKQRRC-UHFFFAOYSA-N 1 1 319.474 3.584 40 0 DHABMO Cc1ccc(C[N@H+]2CCCn3cnc(COC(C)C)c3C2)s1 ZINC000096059048 563532666 /nfs/dbraw/zinc/53/26/66/563532666.db2.gz GWDYTRNEIKQRRC-UHFFFAOYSA-N 1 1 319.474 3.584 40 0 DHABMO CO[C@@H]1CC[N@@H+](Cc2scnc2C)C[C@@H]1Cc1ccccc1 ZINC000096110178 563533499 /nfs/dbraw/zinc/53/34/99/563533499.db2.gz MFPNBUVLKJQQBL-DLBZAZTESA-N 1 1 316.470 3.531 40 0 DHABMO c1ccc2c(c1)CCN(c1cc[nH+]c(NC3CCCCC3)n1)C2 ZINC000244142976 563604471 /nfs/dbraw/zinc/60/44/71/563604471.db2.gz UQKDAUPVMFDJAE-UHFFFAOYSA-N 1 1 308.429 3.784 40 0 DHABMO Clc1ccc(-c2nnc([C@H]3CC[N@H+](C4CCC4)C3)o2)cc1 ZINC000049169407 563701174 /nfs/dbraw/zinc/70/11/74/563701174.db2.gz DIEGGOZVIIIQMP-LBPRGKRZSA-N 1 1 303.793 3.732 40 0 biogenic,in-vitro DHABMO CC(C)[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000225229206 563750497 /nfs/dbraw/zinc/75/04/97/563750497.db2.gz KNIMVCDNUSUQTQ-GDBMZVCRSA-N 1 1 322.880 3.713 40 0 DHABMO CC(C)C[N@H+]1CC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257220034 563791034 /nfs/dbraw/zinc/79/10/34/563791034.db2.gz DJGBQRUVMVYIIN-HNNXBMFYSA-N 1 1 302.393 3.850 40 0 DHABMO Cc1nc2ccc(NC(=O)c3n[nH]c4c3CCCCCC4)cc2[nH]1 ZINC000257246274 563791577 /nfs/dbraw/zinc/79/15/77/563791577.db2.gz ITKJLJRVFMBSGD-UHFFFAOYSA-N 1 1 323.400 3.506 40 0 DHABMO Fc1cccc(Cc2cnc([C@H]3CCC[N@H+]3CC3CC3)o2)c1 ZINC000257245783 563791630 /nfs/dbraw/zinc/79/16/30/563791630.db2.gz IRBCWEXNCKEBHV-QGZVFWFLSA-N 1 1 300.377 3.951 40 0 DHABMO CC(C)[N@H+]1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257235357 563791800 /nfs/dbraw/zinc/79/18/00/563791800.db2.gz GXMHMWOCXKXXDZ-OAHLLOKOSA-N 1 1 302.393 3.992 40 0 DHABMO Clc1ccc2oc([C@H]3CC[N@@H+](Cc4ccccn4)C3)nc2c1 ZINC000035446457 563867309 /nfs/dbraw/zinc/86/73/09/563867309.db2.gz MBMKVWWCKUCZAT-LBPRGKRZSA-N 1 1 313.788 3.866 40 0 biogenic,in-vitro DHABMO Cc1cc(-c2noc([C@@H](C)[NH3+])n2)cc(C)c1OCc1ccccc1 ZINC000095095358 563931019 /nfs/dbraw/zinc/93/10/19/563931019.db2.gz RBQJKJNFAKBWEA-CQSZACIVSA-N 1 1 323.396 3.952 40 0 DHABMO Cc1ccccc1O[C@@H]1CCCC[C@H]1[N@@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225717962 563938343 /nfs/dbraw/zinc/93/83/43/563938343.db2.gz FUJSTKVKXGEKGI-AJYBTWMASA-N 1 1 314.473 3.511 40 0 DHABMO Cc1ccccc1O[C@@H]1CCCC[C@H]1[N@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225717962 563938344 /nfs/dbraw/zinc/93/83/44/563938344.db2.gz FUJSTKVKXGEKGI-AJYBTWMASA-N 1 1 314.473 3.511 40 0 DHABMO CCNc1nc(N2Cc3ccccc3C(C)(C)C2)cc(C2CC2)[nH+]1 ZINC000329067645 563959935 /nfs/dbraw/zinc/95/99/35/563959935.db2.gz YJSOXVDZQVMFTQ-UHFFFAOYSA-N 1 1 322.456 4.084 40 0 DHABMO CC[C@H](C)C[N@H+]1CCc2c(c3c(c(OC)c2OC)CCC3)C1 ZINC000001567207 568412230 /nfs/dbraw/zinc/41/22/30/568412230.db2.gz SHQNLVNFWJVLHR-ZDUSSCGKSA-N 1 1 303.446 3.597 40 0 DHABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)/C=C/c1cccc3ccccc13)C2 ZINC000001459702 1020362477 /nfs/dbraw/zinc/36/24/77/1020362477.db2.gz ANEGKXXUNGIDBD-VJUZUDGASA-N 1 1 320.436 3.594 40 0 DHABMO CCn1ncc(C[N@H+](Cc2ccccc2)Cc2ccncc2)c1C ZINC000013989244 1022010076 /nfs/dbraw/zinc/01/00/76/1022010076.db2.gz VCICAOJXJQQVKN-UHFFFAOYSA-N 1 1 320.440 3.809 40 0 DHABMO CCn1ncc(C[N@@H+](Cc2ccccc2)Cc2ccncc2)c1C ZINC000013989244 1022010091 /nfs/dbraw/zinc/01/00/91/1022010091.db2.gz VCICAOJXJQQVKN-UHFFFAOYSA-N 1 1 320.440 3.809 40 0 DHABMO CC(C)[N@H+]1CCC[C@@H](Cc2cncc(Br)c2)CC1 ZINC000072366097 191135444 /nfs/dbraw/zinc/13/54/44/191135444.db2.gz QLPJJMVBBPFKRH-CYBMUJFWSA-N 1 1 311.267 3.897 40 0 DHABMO CC(C)(C)C[N@H+]1CCC[C@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375164 191139533 /nfs/dbraw/zinc/13/95/33/191139533.db2.gz YUSGQHZGPXAEIZ-HNNXBMFYSA-N 1 1 311.433 3.798 40 0 DHABMO CCOc1ccc([C@@H](O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000004934813 181174865 /nfs/dbraw/zinc/17/48/65/181174865.db2.gz MNYJQKCSJIWMBZ-BXWFABGCSA-N 1 1 303.446 3.631 40 0 DHABMO COc1ccc(/C=C\[C@@H](O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000004934875 181175063 /nfs/dbraw/zinc/17/50/63/181175063.db2.gz GDNSQQLLCBYQEJ-MFDNEJIUSA-N 1 1 315.457 3.581 40 0 DHABMO CCOc1ccc([C@H](O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000004934811 181175091 /nfs/dbraw/zinc/17/50/91/181175091.db2.gz MNYJQKCSJIWMBZ-TXPKVOOTSA-N 1 1 303.446 3.631 40 0 DHABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccc(-c3ccccc3)o1)C2 ZINC000006995550 181430519 /nfs/dbraw/zinc/43/05/19/181430519.db2.gz ZWBZWJPGCVOBFD-XYPWUTKMSA-N 1 1 311.381 3.729 40 0 DHABMO Cc1c[nH]c([C@H]2CC[N@@H+](Cc3[nH]c4ccc(F)cc4c3C)C2)n1 ZINC000257272604 203002913 /nfs/dbraw/zinc/00/29/13/203002913.db2.gz NDASRKKRNNVFLP-ZDUSSCGKSA-N 1 1 312.392 3.636 40 0 DHABMO Cc1ccc([C@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)nc1 ZINC000257312829 203035654 /nfs/dbraw/zinc/03/56/54/203035654.db2.gz UPSUDWOPMKECOT-HXUWFJFHSA-N 1 1 319.408 3.512 40 0 DHABMO Cc1ccc([C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)nc1 ZINC000257312829 203035659 /nfs/dbraw/zinc/03/56/59/203035659.db2.gz UPSUDWOPMKECOT-HXUWFJFHSA-N 1 1 319.408 3.512 40 0 DHABMO c1csc(C[C@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)n1 ZINC000257327304 203050178 /nfs/dbraw/zinc/05/01/78/203050178.db2.gz XAWNOMCPCIWYIO-CQSZACIVSA-N 1 1 309.438 3.756 40 0 DHABMO Cc1cccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)n1 ZINC000019236105 182111189 /nfs/dbraw/zinc/11/11/89/182111189.db2.gz KMZRBTDOSUWXCE-LJQANCHMSA-N 1 1 314.404 3.710 40 0 DHABMO Cc1cccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)n1 ZINC000019236105 182111191 /nfs/dbraw/zinc/11/11/91/182111191.db2.gz KMZRBTDOSUWXCE-LJQANCHMSA-N 1 1 314.404 3.710 40 0 DHABMO CC(C)(C)c1noc([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)n1 ZINC000019084611 182104347 /nfs/dbraw/zinc/10/43/47/182104347.db2.gz SVTNAKXPBOQHPC-LBPRGKRZSA-N 1 1 321.371 3.635 40 0 DHABMO c1csc(-c2noc([C@@H]3CC[N@H+](Cc4ccsc4)C3)n2)c1 ZINC000019344694 182117723 /nfs/dbraw/zinc/11/77/23/182117723.db2.gz KOIGCNRRLSWDRI-GFCCVEGCSA-N 1 1 317.439 3.849 40 0 DHABMO CCCc1cc([C@@H]2CCCCC[N@@H+]2Cc2cn(C)nc2C)no1 ZINC000019525415 182128104 /nfs/dbraw/zinc/12/81/04/182128104.db2.gz MIWOYGNASMJNJY-SFHVURJKSA-N 1 1 316.449 3.786 40 0 DHABMO CCCc1cc([C@@H]2CCCCC[N@H+]2Cc2cn(C)nc2C)no1 ZINC000019525415 182128106 /nfs/dbraw/zinc/12/81/06/182128106.db2.gz MIWOYGNASMJNJY-SFHVURJKSA-N 1 1 316.449 3.786 40 0 DHABMO COCCC[N@@H+](Cc1ccccn1)Cc1ccnc2ccccc12 ZINC000019593288 182133232 /nfs/dbraw/zinc/13/32/32/182133232.db2.gz DVSUCWNBVTYJJT-UHFFFAOYSA-N 1 1 321.424 3.669 40 0 DHABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccccc2)cc1 ZINC000022514050 182324292 /nfs/dbraw/zinc/32/42/92/182324292.db2.gz FOPCQWUQQRAXIK-UHFFFAOYSA-N 1 1 322.437 3.667 40 0 DHABMO CCCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C)cc1 ZINC000035290316 182768101 /nfs/dbraw/zinc/76/81/01/182768101.db2.gz LYBYVMGPMFNGFC-YQQQUEKLSA-N 1 1 314.473 3.797 40 0 DHABMO C[N@@H+]1[C@@H](C[C@H](O)c2ccccc2)CCC[C@@H]1C(=O)c1ccccc1 ZINC000055391016 183984000 /nfs/dbraw/zinc/98/40/00/183984000.db2.gz VTNNMVYLMVDTCG-AQNXPRMDSA-N 1 1 323.436 3.846 40 0 DHABMO C[N@H+]1[C@@H](C[C@H](O)c2ccccc2)CCC[C@@H]1C(=O)c1ccccc1 ZINC000055391016 183984001 /nfs/dbraw/zinc/98/40/01/183984001.db2.gz VTNNMVYLMVDTCG-AQNXPRMDSA-N 1 1 323.436 3.846 40 0 DHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1N ZINC000242463726 257120796 /nfs/dbraw/zinc/12/07/96/257120796.db2.gz DIKKZBGQGPTGNT-LSTDLKDCSA-N 1 1 302.462 3.545 40 0 DHABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214499 257125824 /nfs/dbraw/zinc/12/58/24/257125824.db2.gz IBWUMXOEODCTMY-OAHLLOKOSA-N 1 1 319.449 4.000 40 0 DHABMO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1C ZINC000072214903 257125905 /nfs/dbraw/zinc/12/59/05/257125905.db2.gz UQCWOTAVSGPSEK-HNNXBMFYSA-N 1 1 319.449 3.998 40 0 DHABMO CC[N@H+]1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214489 257125921 /nfs/dbraw/zinc/12/59/21/257125921.db2.gz VSMRKWUJCNCLKE-CQSZACIVSA-N 1 1 305.422 3.610 40 0 DHABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2CC)cn1 ZINC000072214610 257126655 /nfs/dbraw/zinc/12/66/55/257126655.db2.gz MJOBDHGTKGEHGY-HNNXBMFYSA-N 1 1 319.449 4.000 40 0 DHABMO CC(=O)N1C=Cc2ccccc2[C@H]1[C@@H]1[NH2+]C=Cc2ccccc21 ZINC000001577827 257231332 /nfs/dbraw/zinc/23/13/32/257231332.db2.gz AJSRKSMZXNELTH-UXHICEINSA-N 1 1 302.377 3.876 40 0 DHABMO C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000263619626 257215034 /nfs/dbraw/zinc/21/50/34/257215034.db2.gz ZRIOXPTUXZMMNF-QAQDUYKDSA-N 1 1 318.461 3.954 40 0 DHABMO c1nc([C@H]2CCC[N@@H+]2CC2CC2)c2ccc(-c3cccnc3)cn12 ZINC000306144875 534534140 /nfs/dbraw/zinc/53/41/40/534534140.db2.gz ZREWWLONGKQZMM-GOSISDBHSA-N 1 1 318.424 3.943 40 0 DHABMO Cc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)nc2c1 ZINC000049168992 560084987 /nfs/dbraw/zinc/08/49/87/560084987.db2.gz CAZNMUYIXLSFCC-HNNXBMFYSA-N 1 1 309.388 4.000 40 0 biogenic,in-vitro DHABMO Cc1ccc2nc([C@H]3CC[N@H+](Cc4ccc(F)cc4)C3)[nH]c2c1 ZINC000049168992 560084988 /nfs/dbraw/zinc/08/49/88/560084988.db2.gz CAZNMUYIXLSFCC-HNNXBMFYSA-N 1 1 309.388 4.000 40 0 biogenic,in-vitro DHABMO Cc1ccc2nc([C@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)[nH]c2c1 ZINC000049168992 560084990 /nfs/dbraw/zinc/08/49/90/560084990.db2.gz CAZNMUYIXLSFCC-HNNXBMFYSA-N 1 1 309.388 4.000 40 0 biogenic,in-vitro DHABMO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1ccc2ncccc2c1 ZINC000012143988 563362985 /nfs/dbraw/zinc/36/29/85/563362985.db2.gz FVUGIGVESJLLPW-UZLBHIALSA-N 1 1 316.408 3.595 40 0 DHABMO CCOc1ccc([C@H](O)C[N@@H+](C)Cc2ccccc2)cc1Cl ZINC000031911881 563441486 /nfs/dbraw/zinc/44/14/86/563441486.db2.gz OMDIBWATEJSJEB-QGZVFWFLSA-N 1 1 319.832 3.904 40 0 DHABMO CC[C@H](C)c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1C ZINC000245318932 563480021 /nfs/dbraw/zinc/48/00/21/563480021.db2.gz XPSYBIYXGAGNCI-GVDBMIGSSA-N 1 1 305.462 3.814 40 0 DHABMO C[N@H+]1CC[C@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000096058420 563532276 /nfs/dbraw/zinc/53/22/76/563532276.db2.gz VXWFTHKDKWPKSE-LEWJYISDSA-N 1 1 324.443 3.674 40 0 DHABMO CN1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000096058420 563532280 /nfs/dbraw/zinc/53/22/80/563532280.db2.gz VXWFTHKDKWPKSE-LEWJYISDSA-N 1 1 324.443 3.674 40 0 DHABMO CN1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000096058420 563532283 /nfs/dbraw/zinc/53/22/83/563532283.db2.gz VXWFTHKDKWPKSE-LEWJYISDSA-N 1 1 324.443 3.674 40 0 DHABMO CO[C@H]1CC[N@@H+](Cc2nc(C)cs2)C[C@@H]1Cc1ccccc1 ZINC000096110496 563533479 /nfs/dbraw/zinc/53/34/79/563533479.db2.gz SFKXYWNJFIHWDZ-IRXDYDNUSA-N 1 1 316.470 3.531 40 0 DHABMO CC(C)[N@H+]1C[C@@H]2CCC[C@H](C1)C2CC(=O)Nc1cccc(F)c1 ZINC000096252221 563536533 /nfs/dbraw/zinc/53/65/33/563536533.db2.gz XJVZZTZMIITLLK-MVVMVCHASA-N 1 1 318.436 3.911 40 0 DHABMO Cc1nc(NC2CCCC2)cc(N2CCc3ccccc3C2)[nH+]1 ZINC000243792972 563604491 /nfs/dbraw/zinc/60/44/91/563604491.db2.gz QLVLCLRGZHFGIC-UHFFFAOYSA-N 1 1 308.429 3.702 40 0 DHABMO c1csc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)c1 ZINC000049169364 563701093 /nfs/dbraw/zinc/70/10/93/563701093.db2.gz MBQSPIVJKOCWOF-AWEZNQCLSA-N 1 1 311.410 3.788 40 0 biogenic,in-vitro DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C)cc1C ZINC000223144605 563731098 /nfs/dbraw/zinc/73/10/98/563731098.db2.gz WIEDKVDZICMHSX-KRWDZBQOSA-N 1 1 302.462 3.688 40 0 DHABMO COc1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4n[nH]cc4C)C3)cc2c1 ZINC000257207031 563790098 /nfs/dbraw/zinc/79/00/98/563790098.db2.gz BGBCRDBDXSWZFO-CQSZACIVSA-N 1 1 324.428 3.588 40 0 DHABMO Cc1ncc2cncc([C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)n12 ZINC000257211337 563790823 /nfs/dbraw/zinc/79/08/23/563790823.db2.gz BYNANVUAGDRGBO-MRXNPFEDSA-N 1 1 324.403 3.556 40 0 DHABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000257231268 563791485 /nfs/dbraw/zinc/79/14/85/563791485.db2.gz GFZLSESQACIFAB-INIZCTEOSA-N 1 1 306.413 3.646 40 0 DHABMO CC1(c2ncc(Cl)s2)CC[NH+](Cc2cncs2)CC1 ZINC000257235942 563791641 /nfs/dbraw/zinc/79/16/41/563791641.db2.gz HAECDHLAPOFFOP-UHFFFAOYSA-N 1 1 313.879 3.807 40 0 DHABMO c1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(-c3cccnc3)o2)cc1 ZINC000257249042 563792646 /nfs/dbraw/zinc/79/26/46/563792646.db2.gz JGKXOKQFDMENLO-KRWDZBQOSA-N 1 1 320.396 3.859 40 0 DHABMO c1ccc(C[N@H+]2CCCC[C@H]2c2nnc(-c3cccnc3)o2)cc1 ZINC000257249042 563792649 /nfs/dbraw/zinc/79/26/49/563792649.db2.gz JGKXOKQFDMENLO-KRWDZBQOSA-N 1 1 320.396 3.859 40 0 DHABMO Cc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000044080804 563923138 /nfs/dbraw/zinc/92/31/38/563923138.db2.gz ZOPXXJCTHNPBBT-AWEZNQCLSA-N 1 1 319.518 3.712 40 0 DHABMO [NH3+][C@@H](c1nnc(-c2ccc(Cl)cc2)[nH]1)c1ccc(Cl)cc1 ZINC000095533954 563931800 /nfs/dbraw/zinc/93/18/00/563931800.db2.gz OYMTUGCDOCVIQE-CYBMUJFWSA-N 1 1 319.195 3.827 40 0 DHABMO [NH3+][C@H](c1nnc(-c2cccc(Cl)c2)[nH]1)c1ccc(Cl)cc1 ZINC000095533947 563931823 /nfs/dbraw/zinc/93/18/23/563931823.db2.gz OOXJQOIUSNADAJ-ZDUSSCGKSA-N 1 1 319.195 3.827 40 0 DHABMO CCNc1nc(N2Cc3ccccc3CC2(C)C)cc(C2CC2)[nH+]1 ZINC000329045541 563959877 /nfs/dbraw/zinc/95/98/77/563959877.db2.gz TWJGEJZOJIEYOO-UHFFFAOYSA-N 1 1 322.456 4.127 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(C)cc1 ZINC000225580013 186279775 /nfs/dbraw/zinc/27/97/75/186279775.db2.gz FQFICCXELUFNRS-QGZVFWFLSA-N 1 1 319.518 3.936 40 0 DHABMO c1cn(-c2cccc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)cn1 ZINC000072355456 191128606 /nfs/dbraw/zinc/12/86/06/191128606.db2.gz LWRXQJMDJMUFGO-SFHVURJKSA-N 1 1 304.397 3.604 40 0 DHABMO C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359281 191131026 /nfs/dbraw/zinc/13/10/26/191131026.db2.gz MBBDDGBSUPFRHX-CYBMUJFWSA-N 1 1 321.346 3.972 40 0 DHABMO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072363469 191132549 /nfs/dbraw/zinc/13/25/49/191132549.db2.gz HVDFUVYKZMETBM-CYBMUJFWSA-N 1 1 317.462 3.573 40 0 DHABMO CCc1nccn1-c1cccc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072379129 191141846 /nfs/dbraw/zinc/14/18/46/191141846.db2.gz CQUAWTAZQNPNTJ-QGZVFWFLSA-N 1 1 310.445 3.909 40 0 DHABMO c1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1 ZINC000072389943 191148363 /nfs/dbraw/zinc/14/83/63/191148363.db2.gz JPYKQRSWPVYZQC-KRWDZBQOSA-N 1 1 320.396 3.511 40 0 DHABMO C[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2C2CCOCC2)C1 ZINC000072394986 191148837 /nfs/dbraw/zinc/14/88/37/191148837.db2.gz LWZTVQRWNSRHCH-CQSZACIVSA-N 1 1 313.445 3.689 40 0 DHABMO C[N@H+]1CCC[C@]12CCN(c1cncc(Oc3ccccc3)c1)C2 ZINC000003937368 181057969 /nfs/dbraw/zinc/05/79/69/181057969.db2.gz YVYIISOHXBZKGQ-LJQANCHMSA-N 1 1 309.413 3.548 40 0 DHABMO O=C(C[NH2+]Cc1ccco1)Nc1ccc(Oc2ccccc2)cc1 ZINC000004904717 181170803 /nfs/dbraw/zinc/17/08/03/181170803.db2.gz SURMTAAOKWZGFQ-UHFFFAOYSA-N 1 1 322.364 3.800 40 0 DHABMO Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000004882502 181168127 /nfs/dbraw/zinc/16/81/27/181168127.db2.gz KCVKNRQAJINQFA-ZNXRZULTSA-N 1 1 313.445 3.664 40 0 DHABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000081223028 192237730 /nfs/dbraw/zinc/23/77/30/192237730.db2.gz JSBCBPDWFRPVBV-KRWDZBQOSA-N 1 1 324.424 3.546 40 0 DHABMO C[C@@H]1CCC[N@@H+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)C1 ZINC000005722020 181276855 /nfs/dbraw/zinc/27/68/55/181276855.db2.gz OHQWOUQOOHHSLW-ZLZJIPBDSA-N 1 1 311.510 3.701 40 0 DHABMO CC[C@H](C)c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000006356056 181333765 /nfs/dbraw/zinc/33/37/65/181333765.db2.gz JMGJDVRKPVEILW-XWTMOSNGSA-N 1 1 319.489 3.918 40 0 DHABMO CC[C@H](OC[C@@H](O)C[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000006355960 181333883 /nfs/dbraw/zinc/33/38/83/181333883.db2.gz ZYEJBRMTHITMNI-OALUTQOASA-N 1 1 305.462 3.780 40 0 DHABMO CC[C@@H](C)c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000006355906 181333904 /nfs/dbraw/zinc/33/39/04/181333904.db2.gz JMGJDVRKPVEILW-XMTFNYHQSA-N 1 1 319.489 3.918 40 0 DHABMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2CCc1ccc(C)nc1 ZINC000091244411 193025159 /nfs/dbraw/zinc/02/51/59/193025159.db2.gz GOCKVWBQSRYQFB-PZJWPPBQSA-N 1 1 321.468 3.549 40 0 DHABMO Cc1cncc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccccc2)n1 ZINC000257299948 203026155 /nfs/dbraw/zinc/02/61/55/203026155.db2.gz RSHFJBYLFOPZSP-GOSISDBHSA-N 1 1 319.412 3.512 40 0 DHABMO Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)n1 ZINC000257319988 203044658 /nfs/dbraw/zinc/04/46/58/203044658.db2.gz VUWUAFHPXNHSBB-CYBMUJFWSA-N 1 1 307.800 3.511 40 0 DHABMO Fc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(-n3ccnc3)n2)cc1 ZINC000257341366 203063013 /nfs/dbraw/zinc/06/30/13/203063013.db2.gz ZKANVPBIYWKRRU-GOSISDBHSA-N 1 1 322.387 3.744 40 0 DHABMO CC(C)(C)c1ccc(OCCCCCC[NH+]2CCNCC2)cc1 ZINC000019365820 182118955 /nfs/dbraw/zinc/11/89/55/182118955.db2.gz LGEINYZXOUVJFZ-UHFFFAOYSA-N 1 1 318.505 3.829 40 0 DHABMO c1cc(C[N@@H+]2CCC[C@H]2c2nnc(-c3ccccn3)o2)cs1 ZINC000019403388 182121669 /nfs/dbraw/zinc/12/16/69/182121669.db2.gz VRXTXHAWAOSVCW-AWEZNQCLSA-N 1 1 312.398 3.530 40 0 DHABMO c1cc(C[N@H+]2CCC[C@H]2c2nnc(-c3ccccn3)o2)cs1 ZINC000019403388 182121671 /nfs/dbraw/zinc/12/16/71/182121671.db2.gz VRXTXHAWAOSVCW-AWEZNQCLSA-N 1 1 312.398 3.530 40 0 DHABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019570329 182130882 /nfs/dbraw/zinc/13/08/82/182130882.db2.gz OIRNSLPNOXITLK-MRXNPFEDSA-N 1 1 321.424 3.951 40 0 DHABMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1c(C)nc2ccccn21 ZINC000019654482 182134713 /nfs/dbraw/zinc/13/47/13/182134713.db2.gz XIVDCLZNBKRODR-KRWDZBQOSA-N 1 1 321.424 3.988 40 0 DHABMO CCC[C@@H](C)NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000022512975 182324555 /nfs/dbraw/zinc/32/45/55/182324555.db2.gz RLOTWPNJUFZWDQ-HZPDHXFCSA-N 1 1 302.462 3.837 40 0 DHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccccc3)cc2)C1 ZINC000022523701 182325042 /nfs/dbraw/zinc/32/50/42/182325042.db2.gz JVVXVPANSMUZAE-KRWDZBQOSA-N 1 1 322.452 3.849 40 0 DHABMO CC[NH+](/C=C/c1nnnn1-c1ccc(-c2ccccc2)cc1)CC ZINC000055160811 183967018 /nfs/dbraw/zinc/96/70/18/183967018.db2.gz FMFNYSPBLGSNFR-CCEZHUSRSA-N 1 1 319.412 3.642 40 0 DHABMO Cc1cccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000072227449 257122760 /nfs/dbraw/zinc/12/27/60/257122760.db2.gz MEWOSRODEJHKIA-CABCVRRESA-N 1 1 321.207 3.717 40 0 DHABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219649 257124247 /nfs/dbraw/zinc/12/42/47/257124247.db2.gz ZKPGKWBBLOQCQO-GOSISDBHSA-N 1 1 317.477 3.554 40 0 DHABMO CC[N@H+]1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214429 257125896 /nfs/dbraw/zinc/12/58/96/257125896.db2.gz XLPHOLJCKCIJPZ-CQSZACIVSA-N 1 1 305.422 3.610 40 0 DHABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214437 257125902 /nfs/dbraw/zinc/12/59/02/257125902.db2.gz ZWDVVPJYIFFFTL-OAHLLOKOSA-N 1 1 319.449 3.998 40 0 DHABMO CC[N@H+]1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214430 257125990 /nfs/dbraw/zinc/12/59/90/257125990.db2.gz XLPHOLJCKCIJPZ-AWEZNQCLSA-N 1 1 305.422 3.610 40 0 DHABMO C[N@H+]1CC[C@@H](NCc2ccccc2Cl)[C@@H](c2ccccc2)C1 ZINC000248129380 341373664 /nfs/dbraw/zinc/37/36/64/341373664.db2.gz MSHNPNGYEYSRMB-IEBWSBKVSA-N 1 1 314.860 3.918 40 0 DHABMO CN1CC[C@@H]([NH2+]Cc2ccccc2Cl)[C@@H](c2ccccc2)C1 ZINC000248129380 341373665 /nfs/dbraw/zinc/37/36/65/341373665.db2.gz MSHNPNGYEYSRMB-IEBWSBKVSA-N 1 1 314.860 3.918 40 0 DHABMO Cc1cc(N)c(NC(=O)C(C)C)cc1[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000216865426 563711688 /nfs/dbraw/zinc/71/16/88/563711688.db2.gz MJLXAJHXTJAJPX-STQMWFEESA-N 1 1 303.450 3.654 40 0 DHABMO CC(C)(C)CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000225905031 563766896 /nfs/dbraw/zinc/76/68/96/563766896.db2.gz IQWZSYOPKQLFJY-HNNXBMFYSA-N 1 1 322.880 3.714 40 0 DHABMO Cc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000044080832 563923124 /nfs/dbraw/zinc/92/31/24/563923124.db2.gz MCNWUHGQHKHTNS-HNNXBMFYSA-N 1 1 319.518 3.712 40 0 DHABMO CCCc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000001475479 563284085 /nfs/dbraw/zinc/28/40/85/563284085.db2.gz YEFQDLJDRNSLNS-GOSISDBHSA-N 1 1 305.462 3.643 40 0 DHABMO C[N@@H+](C[C@H](O)COc1ccccc1C(C)(C)C)C1CCCCC1 ZINC000001475524 563284341 /nfs/dbraw/zinc/28/43/41/563284341.db2.gz RIXILAJGJJCOJW-KRWDZBQOSA-N 1 1 319.489 3.988 40 0 DHABMO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)on2)ccc1O ZINC000012185829 563364053 /nfs/dbraw/zinc/36/40/53/563364053.db2.gz QDUXXJVTMPQMQB-MRXNPFEDSA-N 1 1 316.401 3.815 40 0 DHABMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2cc(C)on2)ccc1O ZINC000012185829 563364056 /nfs/dbraw/zinc/36/40/56/563364056.db2.gz QDUXXJVTMPQMQB-MRXNPFEDSA-N 1 1 316.401 3.815 40 0 DHABMO CC(C)c1ccc(OC[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000012169960 563479548 /nfs/dbraw/zinc/47/95/48/563479548.db2.gz SHFCKFJTPRMDBZ-SOLBZPMBSA-N 1 1 305.462 3.528 40 0 DHABMO CCC(CC)C[N@H+]1CCC[C@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099604 563516807 /nfs/dbraw/zinc/51/68/07/563516807.db2.gz SDPHFZWCUMULQT-HXUWFJFHSA-N 1 1 320.521 3.927 40 0 DHABMO Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+]3CC(C)C)C2)c(C)c1 ZINC000585102258 563517084 /nfs/dbraw/zinc/51/70/84/563517084.db2.gz VSLLAZNIUYGVKZ-HXUWFJFHSA-N 1 1 314.473 3.640 40 0 DHABMO c1ccc(C[N@@H+]2CCC[C@]3(CCCN3Cc3cccnc3)C2)cc1 ZINC000096214656 563535670 /nfs/dbraw/zinc/53/56/70/563535670.db2.gz PAGPTAITAJIMDN-NRFANRHFSA-N 1 1 321.468 3.712 40 0 DHABMO c1ccc(CN2CCC[C@]3(CCC[N@@H+]3Cc3cccnc3)C2)cc1 ZINC000096214656 563535672 /nfs/dbraw/zinc/53/56/72/563535672.db2.gz PAGPTAITAJIMDN-NRFANRHFSA-N 1 1 321.468 3.712 40 0 DHABMO c1ccc(CN2CCC[C@]3(CCC[N@H+]3Cc3cccnc3)C2)cc1 ZINC000096214656 563535673 /nfs/dbraw/zinc/53/56/73/563535673.db2.gz PAGPTAITAJIMDN-NRFANRHFSA-N 1 1 321.468 3.712 40 0 DHABMO Cc1nc(CN2CCC3(CCC[N@@H+](CC4CC4)C3)CC2)cs1 ZINC000096217524 563535765 /nfs/dbraw/zinc/53/57/65/563535765.db2.gz ZYKCCPGMBLTLCL-UHFFFAOYSA-N 1 1 319.518 3.540 40 0 DHABMO C[C@@H](c1ccccc1)[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000116597090 563565526 /nfs/dbraw/zinc/56/55/26/563565526.db2.gz ZRRQJEOGSURZRN-USXIJHARSA-N 1 1 316.445 3.689 40 0 DHABMO Cc1cccc2[nH+]c(-c3ccc(O)cc3)c(NC[C@H]3CCCO3)n21 ZINC000000417425 563608680 /nfs/dbraw/zinc/60/86/80/563608680.db2.gz LYILSOOPECFVRW-MRXNPFEDSA-N 1 1 323.396 3.606 40 0 DHABMO O=C(C[NH+]1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000004902402 563623520 /nfs/dbraw/zinc/62/35/20/563623520.db2.gz PHMJRIZGHFBHPJ-UHFFFAOYSA-N 1 1 310.397 3.903 40 0 DHABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000000350710 563714595 /nfs/dbraw/zinc/71/45/95/563714595.db2.gz SLJQCXKWMCDIOX-IECFSIQFSA-N 1 1 311.510 3.557 40 0 DHABMO CCOC(=O)C1=C(c2ccccc2)C[N@@H+](Cc2ccccc2)C1 ZINC000026895063 563736513 /nfs/dbraw/zinc/73/65/13/563736513.db2.gz DMPBQXVVNUARKT-UHFFFAOYSA-N 1 1 307.393 3.519 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccccc1Cl ZINC000225439490 563755134 /nfs/dbraw/zinc/75/51/34/563755134.db2.gz ZKVKYVMTFGTESX-MRXNPFEDSA-N 1 1 322.880 3.653 40 0 DHABMO Cc1cnc([C@@H]2C[N@H+](Cc3cccc4ccccc43)CCO2)cn1 ZINC000257206946 563789904 /nfs/dbraw/zinc/78/99/04/563789904.db2.gz BFPQLUQAMVEVPU-FQEVSTJZSA-N 1 1 319.408 3.512 40 0 DHABMO Cc1cnc([C@@H]2C[N@@H+](Cc3cccc4ccccc43)CCO2)cn1 ZINC000257206946 563789906 /nfs/dbraw/zinc/78/99/06/563789906.db2.gz BFPQLUQAMVEVPU-FQEVSTJZSA-N 1 1 319.408 3.512 40 0 DHABMO CCn1nccc1-c1cc(C[C@@H]2CCC[N@H+](C(C)C)C2)ccn1 ZINC000257235494 563791387 /nfs/dbraw/zinc/79/13/87/563791387.db2.gz GYCOBGCWFJBYEY-KRWDZBQOSA-N 1 1 312.461 3.628 40 0 DHABMO CNc1cc(N2Cc3ccccc3CC2(C)C)nc(C2CC2)[nH+]1 ZINC000328971263 563832647 /nfs/dbraw/zinc/83/26/47/563832647.db2.gz DPIIETDFCGKSGK-UHFFFAOYSA-N 1 1 308.429 3.737 40 0 DHABMO CNc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C2CC2)n1 ZINC000328971263 563832649 /nfs/dbraw/zinc/83/26/49/563832649.db2.gz DPIIETDFCGKSGK-UHFFFAOYSA-N 1 1 308.429 3.737 40 0 DHABMO CC(C)Nc1cc(N2CCc3ccccc3C2)[nH+]c(C(C)C)n1 ZINC000329031751 563833591 /nfs/dbraw/zinc/83/35/91/563833591.db2.gz QKYKEJCNOWKQQF-UHFFFAOYSA-N 1 1 310.445 3.983 40 0 DHABMO FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@@H+](CC4CC4)C3)nc2c1 ZINC000035446725 563867123 /nfs/dbraw/zinc/86/71/23/563867123.db2.gz FJWWPFHGZVHHJL-NSHDSACASA-N 1 1 309.335 3.781 40 0 biogenic,in-vitro DHABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@H+](CC4CC4)C3)[nH]c2c1 ZINC000035446725 563867126 /nfs/dbraw/zinc/86/71/26/563867126.db2.gz FJWWPFHGZVHHJL-NSHDSACASA-N 1 1 309.335 3.781 40 0 biogenic,in-vitro DHABMO FC(F)(F)c1ccc2nc([C@H]3CC[N@@H+](CC4CC4)C3)[nH]c2c1 ZINC000035446725 563867128 /nfs/dbraw/zinc/86/71/28/563867128.db2.gz FJWWPFHGZVHHJL-NSHDSACASA-N 1 1 309.335 3.781 40 0 biogenic,in-vitro DHABMO c1ccc(CCC[N@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000035446643 563867165 /nfs/dbraw/zinc/86/71/65/563867165.db2.gz FPGUQPHZLFZNIH-KRWDZBQOSA-N 1 1 305.425 3.985 40 0 biogenic,in-vitro DHABMO C[C@@H]1c2[nH]c3ccccc3c2CC[N@H+]1C[C@@H](O)c1cccs1 ZINC000019498296 563922858 /nfs/dbraw/zinc/92/28/58/563922858.db2.gz XUVWJJQEZLOFGT-MLGOLLRUSA-N 1 1 312.438 3.882 40 0 DHABMO C[C@@H]1c2[nH]c3ccccc3c2CC[N@@H+]1C[C@@H](O)c1cccs1 ZINC000019498296 563922859 /nfs/dbraw/zinc/92/28/59/563922859.db2.gz XUVWJJQEZLOFGT-MLGOLLRUSA-N 1 1 312.438 3.882 40 0 DHABMO CCC[C@@H](C)NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000036124358 563923174 /nfs/dbraw/zinc/92/31/74/563923174.db2.gz RLOTWPNJUFZWDQ-JKSUJKDBSA-N 1 1 302.462 3.837 40 0 DHABMO CC(C)(C)c1ccc(-c2nnc([C@@H]([NH3+])c3ccccc3)[nH]2)cc1 ZINC000095533465 563931854 /nfs/dbraw/zinc/93/18/54/563931854.db2.gz UVNIZPJGGOHQTM-INIZCTEOSA-N 1 1 306.413 3.817 40 0 DHABMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000307198995 568420537 /nfs/dbraw/zinc/42/05/37/568420537.db2.gz YZFBIESGISWLFU-INIZCTEOSA-N 1 1 318.461 3.812 40 0 DHABMO Cc1ccsc1C[N@H+](Cc1cccc(F)c1F)C[C@@H](C)O ZINC000013991640 1022009794 /nfs/dbraw/zinc/00/97/94/1022009794.db2.gz HCLHKZCODNLRSG-GFCCVEGCSA-N 1 1 311.397 3.718 40 0 DHABMO Cc1ccsc1C[N@@H+](Cc1cccc(F)c1F)C[C@@H](C)O ZINC000013991640 1022009811 /nfs/dbraw/zinc/00/98/11/1022009811.db2.gz HCLHKZCODNLRSG-GFCCVEGCSA-N 1 1 311.397 3.718 40 0 DHABMO CCN(Cc1ccccc1)C(=O)c1cc([C@H]2CCC[N@H+]2C)ccn1 ZINC000072369300 191139983 /nfs/dbraw/zinc/13/99/83/191139983.db2.gz MJRRCOUMNBXSSV-LJQANCHMSA-N 1 1 323.440 3.511 40 0 DHABMO c1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000072389970 191148221 /nfs/dbraw/zinc/14/82/21/191148221.db2.gz BAHMSNANCGOBEL-QGZVFWFLSA-N 1 1 320.396 3.511 40 0 DHABMO C[C@@H]1CCC[N@H+]1CCOC(=O)[C@@H](c1ccccc1)C1CCCC1 ZINC000004404507 181107643 /nfs/dbraw/zinc/10/76/43/181107643.db2.gz YLQSFTKJKOZBBJ-APWZRJJASA-N 1 1 315.457 3.988 40 0 DHABMO C[N@H+]1CCC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000005029547 181193393 /nfs/dbraw/zinc/19/33/93/181193393.db2.gz BSKUDKXKAISNDJ-MVBLQPKNSA-N 1 1 301.474 3.914 40 0 DHABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000081223031 192237380 /nfs/dbraw/zinc/23/73/80/192237380.db2.gz JSBCBPDWFRPVBV-QGZVFWFLSA-N 1 1 324.424 3.546 40 0 DHABMO CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000006356061 181333775 /nfs/dbraw/zinc/33/37/75/181333775.db2.gz XPSYBIYXGAGNCI-ULQDDVLXSA-N 1 1 305.462 3.814 40 0 DHABMO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000006455162 181342056 /nfs/dbraw/zinc/34/20/56/181342056.db2.gz FXMYFPOBYHRDNB-BBWFWOEESA-N 1 1 305.462 3.813 40 0 DHABMO c1csc(C[C@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)n1 ZINC000257301108 203025289 /nfs/dbraw/zinc/02/52/89/203025289.db2.gz RXAGYVQUHXDIOI-OAHLLOKOSA-N 1 1 309.438 3.756 40 0 DHABMO Cc1cnc(C2(C)CC[NH+](Cc3csc(C)n3)CC2)s1 ZINC000257302609 203026912 /nfs/dbraw/zinc/02/69/12/203026912.db2.gz SDNXTWOMTNJBHE-UHFFFAOYSA-N 1 1 307.488 3.770 40 0 DHABMO Fc1ccccc1Cc1cnc([C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000257313033 203037150 /nfs/dbraw/zinc/03/71/50/203037150.db2.gz UQSWIWWLKYQYNV-INIZCTEOSA-N 1 1 314.404 3.994 40 0 DHABMO Fc1ccc(C[N@H+]2CCC[C@H]2c2cccc(-n3ccnc3)n2)cc1 ZINC000257341367 203061787 /nfs/dbraw/zinc/06/17/87/203061787.db2.gz ZKANVPBIYWKRRU-SFHVURJKSA-N 1 1 322.387 3.744 40 0 DHABMO COc1cccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)[N@H+]2Cc2ccncc2)c1 ZINC000019565995 182130081 /nfs/dbraw/zinc/13/00/81/182130081.db2.gz BBTRJBRIOVGVLB-FUHIMQAGSA-N 1 1 324.424 3.522 40 0 DHABMO Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000019583826 182131833 /nfs/dbraw/zinc/13/18/33/182131833.db2.gz DJSIWXHDFNKWOY-SFHVURJKSA-N 1 1 320.440 3.656 40 0 DHABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1ccncc1 ZINC000022913861 182340216 /nfs/dbraw/zinc/34/02/16/182340216.db2.gz WBRWSSWTRMNKBW-KRWDZBQOSA-N 1 1 315.486 3.630 40 0 DHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1ccncc1 ZINC000022913856 182340384 /nfs/dbraw/zinc/34/03/84/182340384.db2.gz WBRWSSWTRMNKBW-QGZVFWFLSA-N 1 1 315.486 3.630 40 0 DHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1 ZINC000038832922 183011240 /nfs/dbraw/zinc/01/12/40/183011240.db2.gz PMDIJWQGZIZPBT-UHFFFAOYSA-N 1 1 319.408 3.512 40 0 DHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CCCC3)cc2)C1 ZINC000038832520 183011433 /nfs/dbraw/zinc/01/14/33/183011433.db2.gz DUNYDOJBLZJIJJ-HNNXBMFYSA-N 1 1 300.446 3.591 40 0 DHABMO Cc1ccsc1C[N@H+](CCCO)Cc1cccc(F)c1F ZINC000057822655 184055617 /nfs/dbraw/zinc/05/56/17/184055617.db2.gz NXLWUXHSXPFFBG-UHFFFAOYSA-N 1 1 311.397 3.719 40 0 DHABMO Cc1ccsc1C[N@@H+](CCCO)Cc1cccc(F)c1F ZINC000057822655 184055618 /nfs/dbraw/zinc/05/56/18/184055618.db2.gz NXLWUXHSXPFFBG-UHFFFAOYSA-N 1 1 311.397 3.719 40 0 DHABMO CC(C)C[C@H]([NH3+])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000064219341 184292637 /nfs/dbraw/zinc/29/26/37/184292637.db2.gz OFOZAPQDGTYJQK-IBGZPJMESA-N 1 1 309.409 3.716 40 0 DHABMO Cc1[nH+]c(N(C)C)ccc1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072218738 257124425 /nfs/dbraw/zinc/12/44/25/257124425.db2.gz REUUIBBYZJSEQX-CQSZACIVSA-N 1 1 305.422 3.528 40 0 DHABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072214633 257125938 /nfs/dbraw/zinc/12/59/38/257125938.db2.gz VWRTVOACLNMJMR-OAHLLOKOSA-N 1 1 319.449 4.000 40 0 DHABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214514 257126678 /nfs/dbraw/zinc/12/66/78/257126678.db2.gz ZDVKJQRKFCQYSR-OAHLLOKOSA-N 1 1 319.449 4.000 40 0 DHABMO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[N@@H+]1CCC[C@@H](C)C1 ZINC000216864850 563856988 /nfs/dbraw/zinc/85/69/88/563856988.db2.gz GJTZWPDMGLNXPE-GFCCVEGCSA-N 1 1 303.450 3.798 40 0 DHABMO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[N@H+]1CCC[C@@H](C)C1 ZINC000216864850 563856990 /nfs/dbraw/zinc/85/69/90/563856990.db2.gz GJTZWPDMGLNXPE-GFCCVEGCSA-N 1 1 303.450 3.798 40 0 DHABMO C[N@@H+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C1CCCCC1 ZINC000001475515 563284051 /nfs/dbraw/zinc/28/40/51/563284051.db2.gz DLYJEEDHDSBGEA-GOSISDBHSA-N 1 1 319.489 3.988 40 0 DHABMO Clc1ccc2c(c1)N(C1=[NH+]CCN1)c1ccccc1S2 ZINC000005338557 563329547 /nfs/dbraw/zinc/32/95/47/563329547.db2.gz QHVPSCNYUKIPDS-UHFFFAOYSA-N 1 1 301.802 3.902 40 0 DHABMO CCCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1CCCCC1)C2 ZINC000035290375 563330902 /nfs/dbraw/zinc/33/09/02/563330902.db2.gz IUTAYGHMDXGUGL-AYHJJNSGSA-N 1 1 321.509 3.804 40 0 DHABMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccccc1)C2 ZINC000035290336 563331115 /nfs/dbraw/zinc/33/11/15/563331115.db2.gz LSVPLDATEPZGPS-ALOPSCKCSA-N 1 1 301.434 3.604 40 0 DHABMO COc1cc(C[N@@H+]2CCCCC[C@H]2c2cc(C)on2)ccc1O ZINC000012185834 563363879 /nfs/dbraw/zinc/36/38/79/563363879.db2.gz QDUXXJVTMPQMQB-INIZCTEOSA-N 1 1 316.401 3.815 40 0 DHABMO COc1cc(C[N@H+]2CCCCC[C@H]2c2cc(C)on2)ccc1O ZINC000012185834 563363881 /nfs/dbraw/zinc/36/38/81/563363881.db2.gz QDUXXJVTMPQMQB-INIZCTEOSA-N 1 1 316.401 3.815 40 0 DHABMO COc1cc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc1C ZINC000012186492 563363985 /nfs/dbraw/zinc/36/39/85/563363985.db2.gz ODFYFVAOVLTWEU-QFBILLFUSA-N 1 1 323.440 3.672 40 0 DHABMO Cc1cc2cc(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)ccc2o1 ZINC000012199534 563364147 /nfs/dbraw/zinc/36/41/47/563364147.db2.gz PXINLEZIVHZVAH-OAHLLOKOSA-N 1 1 314.429 3.591 40 0 DHABMO COc1cc2c(cc1C[N@@H+]1CCc3sccc3[C@@H]1C)OCO2 ZINC000012241067 563365719 /nfs/dbraw/zinc/36/57/19/563365719.db2.gz RRHJUWYMVSPWTP-NSHDSACASA-N 1 1 317.410 3.605 40 0 DHABMO COc1cc2c(cc1C[N@H+]1CCc3sccc3[C@@H]1C)OCO2 ZINC000012241067 563365722 /nfs/dbraw/zinc/36/57/22/563365722.db2.gz RRHJUWYMVSPWTP-NSHDSACASA-N 1 1 317.410 3.605 40 0 DHABMO CCC[N@H+]1CC[C@@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 ZINC000019738899 563415964 /nfs/dbraw/zinc/41/59/64/563415964.db2.gz VZTIUOZUOCIJIZ-CYBMUJFWSA-N 1 1 319.836 3.841 40 0 DHABMO CCC[N@@H+]1CC[C@@H](c2cc(COc3ccc(Cl)cc3)n[nH]2)C1 ZINC000019738899 563415967 /nfs/dbraw/zinc/41/59/67/563415967.db2.gz VZTIUOZUOCIJIZ-CYBMUJFWSA-N 1 1 319.836 3.841 40 0 DHABMO CCC[N@H+]1CC[C@@H](c2cc(COc3ccc(Cl)cc3)n[nH]2)C1 ZINC000019738899 563415969 /nfs/dbraw/zinc/41/59/69/563415969.db2.gz VZTIUOZUOCIJIZ-CYBMUJFWSA-N 1 1 319.836 3.841 40 0 DHABMO C[C@H]1C[C@H](OC[C@H](O)C[N@@H+](C)C2CCCCC2)CC(C)(C)C1 ZINC000037530289 563458275 /nfs/dbraw/zinc/45/82/75/563458275.db2.gz SVDPJYRFEFQLLO-JQHSSLGASA-N 1 1 311.510 3.843 40 0 DHABMO Cc1nc([C@H]2C[C@@H]3CC[N@H+](Cc4ccoc4)C[C@H]3O2)sc1C ZINC000096046102 563532674 /nfs/dbraw/zinc/53/26/74/563532674.db2.gz KRWNDGNDVJNABQ-ARFHVFGLSA-N 1 1 318.442 3.705 40 0 DHABMO Cc1nc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccoc4)C[C@H]3O2)sc1C ZINC000096046102 563532677 /nfs/dbraw/zinc/53/26/77/563532677.db2.gz KRWNDGNDVJNABQ-ARFHVFGLSA-N 1 1 318.442 3.705 40 0 DHABMO Fc1ccc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC000096049299 563532806 /nfs/dbraw/zinc/53/28/06/563532806.db2.gz JEGLSOUCZWVJGY-UHFFFAOYSA-N 1 1 302.437 3.666 40 0 DHABMO C[N@H+]1CCC[C@H](Cc2cccc(-n3cnc4ccccc43)n2)CC1 ZINC000585263454 563537040 /nfs/dbraw/zinc/53/70/40/563537040.db2.gz ZRZXYORSBPGCBI-INIZCTEOSA-N 1 1 320.440 3.695 40 0 DHABMO Cn1c2ccccc2nc1[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000049171180 563701106 /nfs/dbraw/zinc/70/11/06/563701106.db2.gz YEHHVSPRHHRKMP-SFHVURJKSA-N 1 1 319.452 3.995 40 0 biogenic,in-vitro DHABMO CC(C)[C@H]1CN(Cc2ccco2)CC[N@H+]1Cc1cccs1 ZINC000057729364 563720678 /nfs/dbraw/zinc/72/06/78/563720678.db2.gz XFUZJKZQAOCQII-QGZVFWFLSA-N 1 1 304.459 3.684 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1ccc(F)cc1 ZINC000223359391 563733364 /nfs/dbraw/zinc/73/33/64/563733364.db2.gz DVLMDBVDPOCVMH-SFHVURJKSA-N 1 1 320.452 3.529 40 0 DHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)cc2C)cc1 ZINC000224910228 563745030 /nfs/dbraw/zinc/74/50/30/563745030.db2.gz UCPPSILBWYJWGR-UHFFFAOYSA-N 1 1 319.408 3.728 40 0 DHABMO Cc1ccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1 ZINC000225001589 563746390 /nfs/dbraw/zinc/74/63/90/563746390.db2.gz YSHDFEZANFGHKA-GASCZTMLSA-N 1 1 322.880 3.746 40 0 DHABMO CCc1ccc(CC(=O)NCCC[N@@H+]2CCCC[C@H]2CC)cc1 ZINC000260772887 563781019 /nfs/dbraw/zinc/78/10/19/563781019.db2.gz XFSUCQKPMOKPSZ-LJQANCHMSA-N 1 1 316.489 3.562 40 0 DHABMO CCCn1ccnc1C[NH+]1CCC(C)(c2ncc(C)s2)CC1 ZINC000257211444 563790517 /nfs/dbraw/zinc/79/05/17/563790517.db2.gz BYWRKEUOAMQOOA-UHFFFAOYSA-N 1 1 318.490 3.612 40 0 DHABMO CCNc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C(C)C)n1 ZINC000329059685 563833633 /nfs/dbraw/zinc/83/36/33/563833633.db2.gz WJEWBGQUPKIQJM-CQSZACIVSA-N 1 1 310.445 3.983 40 0 DHABMO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@H+]2Cc1cccc(Cl)c1 ZINC000019712366 563922880 /nfs/dbraw/zinc/92/28/80/563922880.db2.gz DHKDMJQOMGTEQK-ZWKOTPCHSA-N 1 1 320.864 3.705 40 0 DHABMO N#CC1(c2cccnc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000147516063 563923532 /nfs/dbraw/zinc/92/35/32/563923532.db2.gz DIPWEMVHASFQGL-UHFFFAOYSA-N 1 1 311.816 3.792 40 0 DHABMO Fc1ccc(-c2[nH+]c3ccccn3c2NC[C@@H]2CCCO2)cc1 ZINC000000904079 1019978031 /nfs/dbraw/zinc/97/80/31/1019978031.db2.gz ZFDPJAHSVGWTNB-HNNXBMFYSA-N 1 1 311.360 3.731 40 0 DHABMO CC(C)(O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000149594496 1022973921 /nfs/dbraw/zinc/97/39/21/1022973921.db2.gz XGKNZPOYMFGAHD-GOSISDBHSA-N 1 1 301.405 3.798 40 0 DHABMO Cc1sc2[nH]c([C@@H](C)[NH+]3C[C@H](C)C[C@@H](C)C3)nc(=O)c2c1C ZINC000108929092 185541203 /nfs/dbraw/zinc/54/12/03/185541203.db2.gz KOUMTNYUKLAYJE-CKYFFXLPSA-N 1 1 319.474 3.640 40 0 DHABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072379132 191141073 /nfs/dbraw/zinc/14/10/73/191141073.db2.gz SDWKIKQEGMFBBR-MRXNPFEDSA-N 1 1 310.445 3.698 40 0 DHABMO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@H+]2C(C)C)s1 ZINC000072386994 191145411 /nfs/dbraw/zinc/14/54/11/191145411.db2.gz GLLDENFCHROCJR-GFCCVEGCSA-N 1 1 303.435 3.530 40 0 DHABMO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@@H+]2C(C)C)s1 ZINC000072386994 191145412 /nfs/dbraw/zinc/14/54/12/191145412.db2.gz GLLDENFCHROCJR-GFCCVEGCSA-N 1 1 303.435 3.530 40 0 DHABMO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000004887838 181168919 /nfs/dbraw/zinc/16/89/19/181168919.db2.gz HIUKSAQLQLHGAY-AYHJJNSGSA-N 1 1 315.461 3.910 40 0 DHABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000006008127 181305627 /nfs/dbraw/zinc/30/56/27/181305627.db2.gz ZIFHGHPZOZPZEN-JTDSTZFVSA-N 1 1 313.441 3.557 40 0 DHABMO CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000006356065 181333924 /nfs/dbraw/zinc/33/39/24/181333924.db2.gz JMGJDVRKPVEILW-MHORFTMASA-N 1 1 319.489 3.918 40 0 DHABMO CC(C)n1cc(-c2cnc([C@@H]3CCC[N@H+](C(C)C)C3)cn2)cn1 ZINC000257301463 203024920 /nfs/dbraw/zinc/02/49/20/203024920.db2.gz RYNMPNBGXGANIC-OAHLLOKOSA-N 1 1 313.449 3.509 40 0 DHABMO Cc1nc(-c2ccc(C[C@H]3CCC[N@H+](C)C3)cn2)sc1C ZINC000257289130 203016269 /nfs/dbraw/zinc/01/62/69/203016269.db2.gz PXBYSUFWABWCFJ-OAHLLOKOSA-N 1 1 301.459 3.706 40 0 DHABMO CC(C)n1nccc1-c1cc(C[C@@H]2CC[N@H+](C(C)C)C2)ccn1 ZINC000257325298 203049592 /nfs/dbraw/zinc/04/95/92/203049592.db2.gz WSIKFYVOQGZJCX-KRWDZBQOSA-N 1 1 312.461 3.799 40 0 DHABMO Cc1nc(COC[C@@]23CCC[C@@H]2C[N@H+](C2CCC2)C3)cs1 ZINC000096109291 193540980 /nfs/dbraw/zinc/54/09/80/193540980.db2.gz ZAYXTDDFQWEASN-PBHICJAKSA-N 1 1 306.475 3.623 40 0 DHABMO c1cc(-c2noc([C@H]3CC[N@H+](CC4CCCCC4)C3)n2)ccn1 ZINC000019405874 182121938 /nfs/dbraw/zinc/12/19/38/182121938.db2.gz AATCIHJDOVYKNY-INIZCTEOSA-N 1 1 312.417 3.501 40 0 DHABMO Cc1nn(C)cc1C[N@H+]1C[C@H](c2ccccc2)C2(CCCC2)C1 ZINC000019583736 182131919 /nfs/dbraw/zinc/13/19/19/182131919.db2.gz UQWQSJGPWLYRMU-LJQANCHMSA-N 1 1 309.457 3.888 40 0 DHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N(C)C3CCCC3)cc2)C1 ZINC000020038908 182182754 /nfs/dbraw/zinc/18/27/54/182182754.db2.gz GADMJEFQKGIUAB-INIZCTEOSA-N 1 1 314.473 3.933 40 0 DHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccccc1 ZINC000020451814 182218628 /nfs/dbraw/zinc/21/86/28/182218628.db2.gz FRZYLMPZHJMRKZ-UHFFFAOYSA-N 1 1 322.437 3.667 40 0 DHABMO COc1ccc2[nH]cc(CCNc3[nH]c4ccccc4[nH+]3)c2c1 ZINC000022126819 182309880 /nfs/dbraw/zinc/30/98/80/182309880.db2.gz YAMDKYZMOUTCLB-UHFFFAOYSA-N 1 1 306.369 3.707 40 0 DHABMO CCCCCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000022533103 182325627 /nfs/dbraw/zinc/32/56/27/182325627.db2.gz CZSFJZJLWQOKJS-INIZCTEOSA-N 1 1 302.462 3.839 40 0 DHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000022529322 182325176 /nfs/dbraw/zinc/32/51/76/182325176.db2.gz HUIISOZCQIZWFG-INIZCTEOSA-N 1 1 300.446 3.545 40 0 DHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCC2=CCCCC2)cc1 ZINC000038852453 183011693 /nfs/dbraw/zinc/01/16/93/183011693.db2.gz HNPMEKDEXXFBEE-UHFFFAOYSA-N 1 1 323.440 3.860 40 0 DHABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000038833274 183011700 /nfs/dbraw/zinc/01/17/00/183011700.db2.gz NAHDNFBEBFXOEC-SFHVURJKSA-N 1 1 308.425 3.846 40 0 DHABMO Cc1[nH+]c(N2CCCCCC2)ccc1CNC(=O)OC(C)(C)C ZINC000072224568 257123800 /nfs/dbraw/zinc/12/38/00/257123800.db2.gz IOPINFBOZQZVBW-UHFFFAOYSA-N 1 1 319.449 3.795 40 0 DHABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214439 257126643 /nfs/dbraw/zinc/12/66/43/257126643.db2.gz MBCDJIYNSFTMFY-OAHLLOKOSA-N 1 1 319.449 4.000 40 0 DHABMO CCCCOc1ccc(SCCC[NH+]2CCOCC2)cc1 ZINC000031623717 563440369 /nfs/dbraw/zinc/44/03/69/563440369.db2.gz UXUNJIUAOFXDLT-UHFFFAOYSA-N 1 1 309.475 3.680 40 0 DHABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COc2ccccc2C(C)(C)C)C1 ZINC000037530375 563458166 /nfs/dbraw/zinc/45/81/66/563458166.db2.gz VMQLBGCPIVMCQJ-BBWFWOEESA-N 1 1 319.489 3.702 40 0 DHABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000247884852 563480096 /nfs/dbraw/zinc/48/00/96/563480096.db2.gz SLJQCXKWMCDIOX-JCECYMMASA-N 1 1 311.510 3.557 40 0 DHABMO CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1C ZINC000245318931 563480283 /nfs/dbraw/zinc/48/02/83/563480283.db2.gz XPSYBIYXGAGNCI-BBWFWOEESA-N 1 1 305.462 3.814 40 0 DHABMO COCc1nn(C(C)C)c2c1CC[N@H+](Cc1ccc(C)s1)C2 ZINC000096058983 563532051 /nfs/dbraw/zinc/53/20/51/563532051.db2.gz YBIBXHNMAUKCEA-UHFFFAOYSA-N 1 1 319.474 3.539 40 0 DHABMO COCc1nn(C(C)C)c2c1CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096058983 563532052 /nfs/dbraw/zinc/53/20/52/563532052.db2.gz YBIBXHNMAUKCEA-UHFFFAOYSA-N 1 1 319.474 3.539 40 0 DHABMO c1ccc([C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccncc2)C3)cc1 ZINC000096073461 563533413 /nfs/dbraw/zinc/53/34/13/563533413.db2.gz QJMNXUCVMXNXRP-PMACEKPBSA-N 1 1 308.425 3.620 40 0 DHABMO Cc1ccc(C[N@@H+]2CCc3nc(NC(C)C)nc(C)c3C2)s1 ZINC000096253903 563536194 /nfs/dbraw/zinc/53/61/94/563536194.db2.gz JVZIXVFTOHALNR-UHFFFAOYSA-N 1 1 316.474 3.534 40 0 DHABMO Cc1ccc(C[N@H+]2CCc3nc(NC(C)C)nc(C)c3C2)s1 ZINC000096253903 563536196 /nfs/dbraw/zinc/53/61/96/563536196.db2.gz JVZIXVFTOHALNR-UHFFFAOYSA-N 1 1 316.474 3.534 40 0 DHABMO Cc1cc(OC[C@@]2(O)CCC[N@H+](C3CCC3)C2)cc(C)c1Cl ZINC000585282136 563541913 /nfs/dbraw/zinc/54/19/13/563541913.db2.gz YCZWUPNSTVUYJK-GOSISDBHSA-N 1 1 323.864 3.715 40 0 DHABMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1)c2NC[C@H]1CCCO1 ZINC000000417329 563608232 /nfs/dbraw/zinc/60/82/32/563608232.db2.gz DKUZPZWXJHLFCI-MRXNPFEDSA-N 1 1 307.397 3.901 40 0 DHABMO c1ccc(C[N@@H+]2CC[C@H](CNc3ncnc4ccccc43)C2)cc1 ZINC000001672561 563633874 /nfs/dbraw/zinc/63/38/74/563633874.db2.gz UDUVTWVITKQZKA-QGZVFWFLSA-N 1 1 318.424 3.564 40 0 in-vitro DHABMO COc1ccc(C[NH2+]Cc2ccccc2Cl)c(OC)c1OC ZINC000008473552 563642543 /nfs/dbraw/zinc/64/25/43/563642543.db2.gz QUYGPIGGRITUTO-UHFFFAOYSA-N 1 1 321.804 3.656 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCOc1ccc(C=O)cc1OC ZINC000008731537 563644066 /nfs/dbraw/zinc/64/40/66/563644066.db2.gz PKHPFDVZODZGIE-MRXNPFEDSA-N 1 1 305.418 3.541 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCOc1c(C=O)cccc1OC ZINC000008731541 563644100 /nfs/dbraw/zinc/64/41/00/563644100.db2.gz DOEZLIPWEGLPHN-MRXNPFEDSA-N 1 1 305.418 3.541 40 0 DHABMO CCOc1cc(C=O)ccc1OCCC[N@H+]1CCCC[C@H]1CC ZINC000008731539 563644348 /nfs/dbraw/zinc/64/43/48/563644348.db2.gz IPQBYUCPQQDSAF-QGZVFWFLSA-N 1 1 319.445 3.931 40 0 DHABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000257231269 563791379 /nfs/dbraw/zinc/79/13/79/563791379.db2.gz GFZLSESQACIFAB-MRXNPFEDSA-N 1 1 306.413 3.646 40 0 DHABMO CCn1nccc1-c1cc(C)nc([C@H]2CCCC[N@H+]2C(C)C)n1 ZINC000257234126 563791500 /nfs/dbraw/zinc/79/15/00/563791500.db2.gz GSGDCINYNIDUHB-QGZVFWFLSA-N 1 1 313.449 3.604 40 0 DHABMO c1ccc2c(C[C@@H]3CC[N@H+](CC4CCOCC4)C3)ccnc2c1 ZINC000257250673 563792726 /nfs/dbraw/zinc/79/27/26/563792726.db2.gz JNMVRZGCMRSOBY-KRWDZBQOSA-N 1 1 310.441 3.526 40 0 DHABMO CC(C)c1nc(NC2CC2)cc(N2CCc3ccccc3C2)[nH+]1 ZINC000328965946 563832617 /nfs/dbraw/zinc/83/26/17/563832617.db2.gz CHBXYGRBQVRLFN-UHFFFAOYSA-N 1 1 308.429 3.737 40 0 DHABMO COc1ccc(OC[C@@H]2C[N@@H+](C)CC[C@H]2c2ccccc2)cc1 ZINC000000001420 563840719 /nfs/dbraw/zinc/84/07/19/563840719.db2.gz OJSFTALXCYKKFQ-PXNSSMCTSA-N 1 1 311.425 3.810 40 0 in-vitro DHABMO CC[N@@H+](C[C@H](O)COc1cccc(C)c1C)C1CCCCC1 ZINC000026780466 563873500 /nfs/dbraw/zinc/87/35/00/563873500.db2.gz GGXUGBBTPCXPIK-SFHVURJKSA-N 1 1 305.462 3.698 40 0 DHABMO Cc1cc(C)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000225641522 186286260 /nfs/dbraw/zinc/28/62/60/186286260.db2.gz OPBSQUZZLQKOBA-UHFFFAOYSA-N 1 1 322.452 3.570 40 0 DHABMO c1ccc2c(c1)cncc2C[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000072367970 191136840 /nfs/dbraw/zinc/13/68/40/191136840.db2.gz WZWMNFIANIMUCR-MRXNPFEDSA-N 1 1 303.409 3.694 40 0 DHABMO c1cn(-c2cccc([C@H]3CCC[N@H+](C4CCCCC4)C3)n2)cn1 ZINC000072378710 191140263 /nfs/dbraw/zinc/14/02/63/191140263.db2.gz QLLSBISZAZPDDY-INIZCTEOSA-N 1 1 310.445 3.779 40 0 DHABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(Cl)cc1 ZINC000004882700 181167727 /nfs/dbraw/zinc/16/77/27/181167727.db2.gz NQVALRZZPIFDRZ-ZXFUBFMLSA-N 1 1 318.848 3.618 40 0 DHABMO C[N@@H+](CC[C@]1(C)c2ccccc2CCC1=O)Cc1ccccc1 ZINC000005495695 181250111 /nfs/dbraw/zinc/25/01/11/181250111.db2.gz ZMKGNTPUJWEYCT-OAQYLSRUSA-N 1 1 307.437 3.982 40 0 DHABMO Cc1cc(C)c(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c(C)c1 ZINC000006008552 181305661 /nfs/dbraw/zinc/30/56/61/181305661.db2.gz YUHHTAQBGVWCLG-SFHVURJKSA-N 1 1 305.462 3.616 40 0 DHABMO CC[C@@H](C)c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000006355904 181333971 /nfs/dbraw/zinc/33/39/71/181333971.db2.gz JHQZQXQDMVUSSM-GVDBMIGSSA-N 1 1 305.462 3.672 40 0 DHABMO c1ncc(C[N@@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)s1 ZINC000257272818 203001491 /nfs/dbraw/zinc/00/14/91/203001491.db2.gz NDZMJIFTPZZVGF-AWEZNQCLSA-N 1 1 309.438 3.756 40 0 DHABMO Cc1c[nH]c([C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)[nH+]1 ZINC000257319929 203045094 /nfs/dbraw/zinc/04/50/94/203045094.db2.gz VUQMZXGDKGEOTR-LLVKDONJSA-N 1 1 310.323 3.516 40 0 DHABMO CCn1nccc1-c1ccc(C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257325589 203049141 /nfs/dbraw/zinc/04/91/41/203049141.db2.gz WTPXZTFOZRQQMN-QGZVFWFLSA-N 1 1 312.461 3.628 40 0 DHABMO CCCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@H+]2C ZINC000019501430 182125714 /nfs/dbraw/zinc/12/57/14/182125714.db2.gz GLEYUGIMDNZXCC-QWFCFKBJSA-N 1 1 314.473 3.656 40 0 DHABMO c1ccc(C[N@H+]2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1 ZINC000019927141 182165024 /nfs/dbraw/zinc/16/50/24/182165024.db2.gz ODVVJXVYUJETBD-OAQYLSRUSA-N 1 1 306.453 3.709 40 0 DHABMO c1ccc(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000019927141 182165025 /nfs/dbraw/zinc/16/50/25/182165025.db2.gz ODVVJXVYUJETBD-OAQYLSRUSA-N 1 1 306.453 3.709 40 0 DHABMO c1ccc(CN2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000019927141 182165026 /nfs/dbraw/zinc/16/50/26/182165026.db2.gz ODVVJXVYUJETBD-OAQYLSRUSA-N 1 1 306.453 3.709 40 0 DHABMO CC[NH+]1CCN(C(=S)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000020608797 182237732 /nfs/dbraw/zinc/23/77/32/182237732.db2.gz PABMQTOQOOXFBA-UHFFFAOYSA-N 1 1 306.519 3.558 40 0 DHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000022529317 182324995 /nfs/dbraw/zinc/32/49/95/182324995.db2.gz HUIISOZCQIZWFG-MRXNPFEDSA-N 1 1 300.446 3.545 40 0 DHABMO CC[N@H+]1CCC[C@H]1CN(CCc1ccccc1)Cc1ccncc1 ZINC000022913852 182340414 /nfs/dbraw/zinc/34/04/14/182340414.db2.gz ZHTZVUMYEBHYFL-NRFANRHFSA-N 1 1 323.484 3.611 40 0 DHABMO CCN1CCC[C@H]1C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000022913852 182340415 /nfs/dbraw/zinc/34/04/15/182340415.db2.gz ZHTZVUMYEBHYFL-NRFANRHFSA-N 1 1 323.484 3.611 40 0 DHABMO CCN1CCC[C@H]1C[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC000022913852 182340416 /nfs/dbraw/zinc/34/04/16/182340416.db2.gz ZHTZVUMYEBHYFL-NRFANRHFSA-N 1 1 323.484 3.611 40 0 DHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cccc(C)c2)cc1 ZINC000038833260 183011586 /nfs/dbraw/zinc/01/15/86/183011586.db2.gz PHPNGASGRHILGN-UHFFFAOYSA-N 1 1 305.381 3.801 40 0 DHABMO Cc1cccc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000044140375 183396413 /nfs/dbraw/zinc/39/64/13/183396413.db2.gz HMTMGBVSHNOJNC-IYBDPMFKSA-N 1 1 319.518 3.649 40 0 DHABMO C[N@H+](CC(=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000057497499 184040377 /nfs/dbraw/zinc/04/03/77/184040377.db2.gz XWDRWLHFLKDMST-UHFFFAOYSA-N 1 1 318.214 3.764 40 0 DHABMO C[N@@H+](CC(=O)c1ccc(Br)cc1)Cc1ccccc1 ZINC000057497499 184040378 /nfs/dbraw/zinc/04/03/78/184040378.db2.gz XWDRWLHFLKDMST-UHFFFAOYSA-N 1 1 318.214 3.764 40 0 DHABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1C ZINC000072214724 257125950 /nfs/dbraw/zinc/12/59/50/257125950.db2.gz ZYIOUUXCLLIKAQ-OAHLLOKOSA-N 1 1 319.449 4.000 40 0 DHABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214438 257126189 /nfs/dbraw/zinc/12/61/89/257126189.db2.gz ZWDVVPJYIFFFTL-HNNXBMFYSA-N 1 1 319.449 3.998 40 0 DHABMO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1C ZINC000072214904 257126248 /nfs/dbraw/zinc/12/62/48/257126248.db2.gz UQCWOTAVSGPSEK-OAHLLOKOSA-N 1 1 319.449 3.998 40 0 DHABMO CCC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000001593598 563286796 /nfs/dbraw/zinc/28/67/96/563286796.db2.gz NFOFODLZYVUMFC-TZIWHRDSSA-N 1 1 323.436 3.954 40 0 DHABMO C[N@H+]1CCCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000001677210 563290769 /nfs/dbraw/zinc/29/07/69/563290769.db2.gz URDGEWDSWDSTGN-UHFFFAOYSA-N 1 1 309.413 3.582 40 0 DHABMO Fc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)[N@H+]2Cc2ccncc2)cc1 ZINC000012338003 563366100 /nfs/dbraw/zinc/36/61/00/563366100.db2.gz VQWMKTDYCZUVSX-AYBZRNKSSA-N 1 1 312.388 3.653 40 0 DHABMO CC(C)CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220599 563430911 /nfs/dbraw/zinc/43/09/11/563430911.db2.gz HSRPEUGEXWGWCQ-MRXNPFEDSA-N 1 1 322.880 3.714 40 0 DHABMO C[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1C[C@H](O)c1cccs1 ZINC000036734351 563457410 /nfs/dbraw/zinc/45/74/10/563457410.db2.gz XUVWJJQEZLOFGT-LRDDRELGSA-N 1 1 312.438 3.882 40 0 DHABMO C[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1C[C@H](O)c1cccs1 ZINC000036734351 563457414 /nfs/dbraw/zinc/45/74/14/563457414.db2.gz XUVWJJQEZLOFGT-LRDDRELGSA-N 1 1 312.438 3.882 40 0 DHABMO Cc1ccccc1C[N@@H+]1CCC[C@]12CCCN(C(=O)C(C)C)C2 ZINC000096071311 563532400 /nfs/dbraw/zinc/53/24/00/563532400.db2.gz CYJRPTIFIAETAY-FQEVSTJZSA-N 1 1 314.473 3.608 40 0 DHABMO Cc1cc([C@H]2c3ccccc3CCC[N@H+]2[C@@H]2CCOC2)ccn1 ZINC000096260792 563536475 /nfs/dbraw/zinc/53/64/75/563536475.db2.gz OPOOVEDFDNTLAZ-QUCCMNQESA-N 1 1 308.425 3.517 40 0 DHABMO Cc1ccsc1C[N@H+](Cc1ccc(F)cc1F)C[C@@H](C)O ZINC000013991527 563546970 /nfs/dbraw/zinc/54/69/70/563546970.db2.gz PWAQZDYLJWOMTN-GFCCVEGCSA-N 1 1 311.397 3.718 40 0 DHABMO Cc1ccsc1C[N@@H+](Cc1ccc(F)cc1F)C[C@@H](C)O ZINC000013991527 563546973 /nfs/dbraw/zinc/54/69/73/563546973.db2.gz PWAQZDYLJWOMTN-GFCCVEGCSA-N 1 1 311.397 3.718 40 0 DHABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)cs1 ZINC000107751977 563567193 /nfs/dbraw/zinc/56/71/93/563567193.db2.gz WMUHCITWGNZEDZ-MSOLQXFVSA-N 1 1 321.486 3.546 40 0 DHABMO [NH3+][C@H](c1nnc(-c2cccc(C(F)(F)F)c2)[nH]1)c1ccccc1 ZINC000095533448 563567773 /nfs/dbraw/zinc/56/77/73/563567773.db2.gz OVQTWHYWIBDAJJ-ZDUSSCGKSA-N 1 1 318.302 3.539 40 0 DHABMO COc1cc(C=O)ccc1OCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000217797788 563714479 /nfs/dbraw/zinc/71/44/79/563714479.db2.gz ZDGOODLOJPYYCM-IYBDPMFKSA-N 1 1 319.445 3.645 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc(C)cc1C ZINC000224802785 563745034 /nfs/dbraw/zinc/74/50/34/563745034.db2.gz QMFUJFWDWIZMDJ-IBGZPJMESA-N 1 1 316.489 3.617 40 0 DHABMO CCc1ccc(CC(=O)NCCC[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC000225510127 563757277 /nfs/dbraw/zinc/75/72/77/563757277.db2.gz XFSUCQKPMOKPSZ-IBGZPJMESA-N 1 1 316.489 3.562 40 0 DHABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000257201853 563789500 /nfs/dbraw/zinc/78/95/00/563789500.db2.gz AJHVJPPFSNFVRT-INIZCTEOSA-N 1 1 306.413 3.646 40 0 DHABMO Cc1nccc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccccc2)n1 ZINC000257202744 563789741 /nfs/dbraw/zinc/78/97/41/563789741.db2.gz ANFKGANZZYXKSZ-SFHVURJKSA-N 1 1 319.412 3.512 40 0 DHABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2C2CCCCCC2)n1 ZINC000257213913 563791011 /nfs/dbraw/zinc/79/10/11/563791011.db2.gz CJRBSINFCOAXBW-IBGZPJMESA-N 1 1 315.461 3.577 40 0 DHABMO Cc1cn(C)c([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3F)C2)n1 ZINC000257232654 563791679 /nfs/dbraw/zinc/79/16/79/563791679.db2.gz GLVWGNHKYJGHKU-ZDUSSCGKSA-N 1 1 307.800 3.511 40 0 DHABMO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]c(C)n1 ZINC000329025752 563833657 /nfs/dbraw/zinc/83/36/57/563833657.db2.gz PIOGSKHQXZAQKT-KGLIPLIRSA-N 1 1 310.445 3.947 40 0 DHABMO C[C@H](CN1c2ccccc2Sc2ccccc21)[N@@H+](C)CCO ZINC000001667887 563895463 /nfs/dbraw/zinc/89/54/63/563895463.db2.gz OVBCYALNGQQYRZ-CQSZACIVSA-N 1 1 314.454 3.602 40 0 DHABMO c1cn(CCC[N@H+](Cc2ccncc2)C[C@H]2CC=CCC2)cn1 ZINC000013991184 1022009662 /nfs/dbraw/zinc/00/96/62/1022009662.db2.gz GDXZNXRJJUYZGU-SFHVURJKSA-N 1 1 310.445 3.527 40 0 DHABMO C[C@@H](c1ccccn1)[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000072203934 191075917 /nfs/dbraw/zinc/07/59/17/191075917.db2.gz AZUVUIZQXCYECR-LSDHHAIUSA-N 1 1 319.449 3.522 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(F)cc1 ZINC000225581404 186280005 /nfs/dbraw/zinc/28/00/05/186280005.db2.gz JSSSMYSLNVRCOC-INIZCTEOSA-N 1 1 323.481 3.767 40 0 DHABMO Cc1nccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccoc2)n1 ZINC000072366759 191137791 /nfs/dbraw/zinc/13/77/91/191137791.db2.gz YQNWKGXHOWXDQO-QGZVFWFLSA-N 1 1 308.385 3.506 40 0 DHABMO Fc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)c1 ZINC000072395173 191149684 /nfs/dbraw/zinc/14/96/84/191149684.db2.gz NBGOPWPPPRZBAT-RBUKOAKNSA-N 1 1 321.399 3.932 40 0 DHABMO CC1=[NH+][C@@H](C)CNc2c3ccccc3n(-c3ccccc3)c(=O)c21 ZINC000003844340 181048283 /nfs/dbraw/zinc/04/82/83/181048283.db2.gz GXRMYUCHVVEEIH-ZDUSSCGKSA-N 1 1 317.392 3.614 40 0 DHABMO Cc1cc(C)c(C)c(OC[C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000004305130 181094891 /nfs/dbraw/zinc/09/48/91/181094891.db2.gz OVTQEYBWPTYCTQ-SOLBZPMBSA-N 1 1 305.462 3.614 40 0 DHABMO CC[C@H](C)[N@@H+](CC)CCNc1cc(OC)cc2cccnc21 ZINC000005846370 181289420 /nfs/dbraw/zinc/28/94/20/181289420.db2.gz REHJMUQQXLLGHV-AWEZNQCLSA-N 1 1 301.434 3.776 40 0 DHABMO Cc1cn(C)c([C@H]2CCC[N@H+]2Cc2cccc3cccnc32)n1 ZINC000257296995 203020479 /nfs/dbraw/zinc/02/04/79/203020479.db2.gz RFHVQPLAOYYWRW-QGZVFWFLSA-N 1 1 306.413 3.614 40 0 DHABMO Cc1nc(-c2cc(C[C@H]3CCC[N@H+](C)C3)ccn2)sc1C ZINC000257279920 203008881 /nfs/dbraw/zinc/00/88/81/203008881.db2.gz OISMIOXNLLWWAW-OAHLLOKOSA-N 1 1 301.459 3.706 40 0 DHABMO Cc1csc(-c2cc(C)nc([C@@H]3CCC[N@H+](C(C)C)C3)n2)n1 ZINC000257332368 203055137 /nfs/dbraw/zinc/05/51/37/203055137.db2.gz XWZARYMOXQQPLU-CQSZACIVSA-N 1 1 316.474 3.805 40 0 DHABMO CCOc1ccc(C[N@H+]2CCCCC[C@H]2c2ccn(C)n2)cc1 ZINC000012275818 181745338 /nfs/dbraw/zinc/74/53/38/181745338.db2.gz DGYYNZMRWACISA-IBGZPJMESA-N 1 1 313.445 3.936 40 0 DHABMO CC(C)(C)c1noc([C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)n1 ZINC000019084637 182104251 /nfs/dbraw/zinc/10/42/51/182104251.db2.gz DVIRLVJQLUVQKQ-LBPRGKRZSA-N 1 1 321.371 3.635 40 0 DHABMO C[N@H+]1CCC[C@@H]1c1cc2cccnc2n1Cc1ccc(F)cc1 ZINC000019588703 182132344 /nfs/dbraw/zinc/13/23/44/182132344.db2.gz JUESPYYZNLGUEB-QGZVFWFLSA-N 1 1 309.388 3.990 40 0 DHABMO Cc1cc(C)c(C)c(OC[C@@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000004346945 335021016 /nfs/dbraw/zinc/02/10/16/335021016.db2.gz OVTQEYBWPTYCTQ-JZXOWHBKSA-N 1 1 305.462 3.614 40 0 DHABMO CC(C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022333599 182318866 /nfs/dbraw/zinc/31/88/66/182318866.db2.gz KBJZRUZFGKDHPK-UHFFFAOYSA-N 1 1 322.452 3.576 40 0 DHABMO CCCCCNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000022533098 182325922 /nfs/dbraw/zinc/32/59/22/182325922.db2.gz CZSFJZJLWQOKJS-MRXNPFEDSA-N 1 1 302.462 3.839 40 0 DHABMO O=C(Nc1ccccc1F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038849217 183011282 /nfs/dbraw/zinc/01/12/82/183011282.db2.gz SCBQQUWCBLSALZ-MRXNPFEDSA-N 1 1 312.388 3.676 40 0 DHABMO COc1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038835098 183011355 /nfs/dbraw/zinc/01/13/55/183011355.db2.gz FEWJOPKQTSHYGK-UHFFFAOYSA-N 1 1 321.380 3.501 40 0 DHABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000038833273 183011469 /nfs/dbraw/zinc/01/14/69/183011469.db2.gz NAHDNFBEBFXOEC-GOSISDBHSA-N 1 1 308.425 3.846 40 0 DHABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072214632 257126110 /nfs/dbraw/zinc/12/61/10/257126110.db2.gz VWRTVOACLNMJMR-HNNXBMFYSA-N 1 1 319.449 4.000 40 0 DHABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2C)cn1 ZINC000072214664 257126325 /nfs/dbraw/zinc/12/63/25/257126325.db2.gz KKONAWZIRIQULN-OAHLLOKOSA-N 1 1 319.449 4.000 40 0 DHABMO C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@H](C)O1 ZINC000575421942 563857005 /nfs/dbraw/zinc/85/70/05/563857005.db2.gz DDYRRJSHTGELEI-CQJJVWNLSA-N 1 1 324.262 3.662 40 0 DHABMO C[NH2+]CCCNCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008377098 563346537 /nfs/dbraw/zinc/34/65/37/563346537.db2.gz XPQYOMICKWAWPF-UHFFFAOYSA-N 1 1 318.848 3.618 40 0 DHABMO Cc1ccc2c(c1)CNC[C@@]1(CCC[N@@H+](Cc3ccccc3)C1)O2 ZINC000012122995 563362585 /nfs/dbraw/zinc/36/25/85/563362585.db2.gz CLTJTUMRSISCCL-OAQYLSRUSA-N 1 1 322.452 3.512 40 0 DHABMO Cc1ccc2c(c1)C[NH2+]C[C@@]1(CCCN(Cc3ccccc3)C1)O2 ZINC000012122995 563362586 /nfs/dbraw/zinc/36/25/86/563362586.db2.gz CLTJTUMRSISCCL-OAQYLSRUSA-N 1 1 322.452 3.512 40 0 DHABMO CNc1ncc(C[NH2+]C2(c3ccc(Cl)cc3Cl)CC2)cn1 ZINC000012361951 563367116 /nfs/dbraw/zinc/36/71/16/563367116.db2.gz STDMXCGBSHUXAZ-UHFFFAOYSA-N 1 1 323.227 3.604 40 0 DHABMO C[N@H+]1CC[C@H](NCc2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000072341604 563503757 /nfs/dbraw/zinc/50/37/57/563503757.db2.gz MSHNPNGYEYSRMB-HKUYNNGSSA-N 1 1 314.860 3.918 40 0 DHABMO CC(C)C[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1 ZINC000585100249 563517145 /nfs/dbraw/zinc/51/71/45/563517145.db2.gz IWIAODLQJSTYHU-FQEVSTJZSA-N 1 1 314.473 3.690 40 0 DHABMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccncc2)[C@H]1Cc1ccccc1 ZINC000096061668 563532142 /nfs/dbraw/zinc/53/21/42/563532142.db2.gz LANNBHRMKANERX-RTWAWAEBSA-N 1 1 323.484 3.607 40 0 DHABMO FC1(F)CC[N@@H+](CC2CC2)C[C@]12CCN(c1ccccc1)C2 ZINC000096051117 563532268 /nfs/dbraw/zinc/53/22/68/563532268.db2.gz CEEOSAWUYNNOJU-KRWDZBQOSA-N 1 1 306.400 3.634 40 0 DHABMO CN1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3cccs3)C[C@H]12 ZINC000096058413 563532493 /nfs/dbraw/zinc/53/24/93/563532493.db2.gz AXBXJEBMMWIAMQ-OALUTQOASA-N 1 1 312.482 3.596 40 0 DHABMO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3cccs3)C[C@H]12 ZINC000096058413 563532495 /nfs/dbraw/zinc/53/24/95/563532495.db2.gz AXBXJEBMMWIAMQ-OALUTQOASA-N 1 1 312.482 3.596 40 0 DHABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3cccs3)C[C@H]12 ZINC000096058413 563532498 /nfs/dbraw/zinc/53/24/98/563532498.db2.gz AXBXJEBMMWIAMQ-OALUTQOASA-N 1 1 312.482 3.596 40 0 DHABMO c1csc([C@H]2C[C@@H]3CC[N@H+](CCc4ccccc4)C[C@H]3O2)n1 ZINC000096046052 563532521 /nfs/dbraw/zinc/53/25/21/563532521.db2.gz NKUYKADTKZPLDH-GVDBMIGSSA-N 1 1 314.454 3.538 40 0 DHABMO c1ccc([C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccncc2)C3)cc1 ZINC000096073460 563533463 /nfs/dbraw/zinc/53/34/63/563533463.db2.gz QJMNXUCVMXNXRP-UXHICEINSA-N 1 1 308.425 3.620 40 0 DHABMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(c4ccccc4)C3)C2)n1 ZINC000096216156 563535510 /nfs/dbraw/zinc/53/55/10/563535510.db2.gz VNIQHNWPWJGHLI-NRFANRHFSA-N 1 1 321.468 3.883 40 0 DHABMO CCOc1cc(C=O)ccc1OCCC[N@H+]1CCCC[C@@H]1C ZINC000008731555 563644307 /nfs/dbraw/zinc/64/43/07/563644307.db2.gz WCRUZAIOHJLYKG-HNNXBMFYSA-N 1 1 305.418 3.541 40 0 DHABMO c1ccc(Cc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000049169804 563700755 /nfs/dbraw/zinc/70/07/55/563700755.db2.gz QYTIFHOYAYBVEC-SFHVURJKSA-N 1 1 319.408 3.650 40 0 biogenic,in-vitro DHABMO COc1cc(C=O)ccc1OCCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000217797597 563714804 /nfs/dbraw/zinc/71/48/04/563714804.db2.gz KUIVQBHRCSDPJN-IYBDPMFKSA-N 1 1 319.445 3.930 40 0 DHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1 ZINC000225724355 563761356 /nfs/dbraw/zinc/76/13/56/563761356.db2.gz CHBVXNJTYQOJIY-UHFFFAOYSA-N 1 1 319.408 3.728 40 0 DHABMO Cc1cn(C)c([C@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)n1 ZINC000257210992 563789582 /nfs/dbraw/zinc/78/95/82/563789582.db2.gz BXAMKAIQOGAYRC-GOSISDBHSA-N 1 1 306.413 3.614 40 0 DHABMO Cc1cn(C)c([C@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)n1 ZINC000257210992 563789583 /nfs/dbraw/zinc/78/95/83/563789583.db2.gz BXAMKAIQOGAYRC-GOSISDBHSA-N 1 1 306.413 3.614 40 0 DHABMO Cc1ncc(-c2nccnc2C[C@@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000257238446 563791828 /nfs/dbraw/zinc/79/18/28/563791828.db2.gz HLABWDQUBHDMAY-AWEZNQCLSA-N 1 1 316.474 3.571 40 0 DHABMO CC[N@H+]1CCC[C@H](OC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000000057476 563820239 /nfs/dbraw/zinc/82/02/39/563820239.db2.gz KTHVBAZBLKXIHZ-IBGZPJMESA-N 1 1 323.436 3.846 40 0 in-man DHABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccsc4)C3)nc2c1 ZINC000035446791 563867098 /nfs/dbraw/zinc/86/70/98/563867098.db2.gz WZQWBCNJOZGIKV-ZDUSSCGKSA-N 1 1 313.426 3.623 40 0 biogenic,in-vitro DHABMO COc1ccc2nc([C@H]3CC[N@H+](Cc4ccsc4)C3)[nH]c2c1 ZINC000035446791 563867099 /nfs/dbraw/zinc/86/70/99/563867099.db2.gz WZQWBCNJOZGIKV-ZDUSSCGKSA-N 1 1 313.426 3.623 40 0 biogenic,in-vitro DHABMO COc1ccc2nc([C@H]3CC[N@@H+](Cc4ccsc4)C3)[nH]c2c1 ZINC000035446791 563867102 /nfs/dbraw/zinc/86/71/02/563867102.db2.gz WZQWBCNJOZGIKV-ZDUSSCGKSA-N 1 1 313.426 3.623 40 0 biogenic,in-vitro DHABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000035446733 563867258 /nfs/dbraw/zinc/86/72/58/563867258.db2.gz BTGCGONYSZJCQH-HNNXBMFYSA-N 1 1 307.397 3.561 40 0 biogenic,in-vitro DHABMO COc1ccc2nc([C@H]3CC[N@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000035446733 563867262 /nfs/dbraw/zinc/86/72/62/563867262.db2.gz BTGCGONYSZJCQH-HNNXBMFYSA-N 1 1 307.397 3.561 40 0 biogenic,in-vitro DHABMO COc1ccc2nc([C@H]3CC[N@@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000035446733 563867263 /nfs/dbraw/zinc/86/72/63/563867263.db2.gz BTGCGONYSZJCQH-HNNXBMFYSA-N 1 1 307.397 3.561 40 0 biogenic,in-vitro DHABMO Cc1ccc(C)c(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000044080836 563923093 /nfs/dbraw/zinc/92/30/93/563923093.db2.gz KTEUWZDFLMRPAA-HNNXBMFYSA-N 1 1 319.518 3.712 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(C)c(C)cc1C ZINC000225649534 186286653 /nfs/dbraw/zinc/28/66/53/186286653.db2.gz LVOXJBJYEWXTCH-GOSISDBHSA-N 1 1 316.489 3.996 40 0 DHABMO CCN(C(=O)c1cc([C@H]2CCC[N@H+]2C)ccn1)C1CCCCC1 ZINC000072369302 191139128 /nfs/dbraw/zinc/13/91/28/191139128.db2.gz ZJPQKAYSDCIBAN-GOSISDBHSA-N 1 1 315.461 3.643 40 0 DHABMO CCN(C(=O)c1cc([C@@H]2CCC[N@H+]2C)ccn1)C1CCCCC1 ZINC000072369301 191138967 /nfs/dbraw/zinc/13/89/67/191138967.db2.gz ZJPQKAYSDCIBAN-SFHVURJKSA-N 1 1 315.461 3.643 40 0 DHABMO c1cn(-c2cccc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)cn1 ZINC000072378658 191140288 /nfs/dbraw/zinc/14/02/88/191140288.db2.gz ARYAAYBLDYTALS-GOSISDBHSA-N 1 1 318.424 3.647 40 0 DHABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072378668 191141530 /nfs/dbraw/zinc/14/15/30/191141530.db2.gz RYMWCKNZBJALRO-IBGZPJMESA-N 1 1 318.424 3.913 40 0 DHABMO Cc1ccnc([C@]2(C)CCC[N@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000072388527 191146241 /nfs/dbraw/zinc/14/62/41/191146241.db2.gz YLVCMDUYPFMMHV-IBGZPJMESA-N 1 1 306.413 3.778 40 0 DHABMO CC(=O)N1C=Cc2ccccc2[C@H]1[C@H]1[NH2+]C=Cc2ccccc21 ZINC000001577829 180875016 /nfs/dbraw/zinc/87/50/16/180875016.db2.gz AJSRKSMZXNELTH-PMACEKPBSA-N 1 1 302.377 3.876 40 0 DHABMO CCC(=O)O[C@@]1(Cc2ccc(CC)cc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000004474251 181111475 /nfs/dbraw/zinc/11/14/75/181111475.db2.gz KOYICGYXDCTHSW-RZQQEMMASA-N 1 1 317.473 3.844 40 0 DHABMO COc1ccc(OC[C@@H]2C[N@@H+](C)CC[C@@H]2c2ccccc2)cc1 ZINC000005573204 181259109 /nfs/dbraw/zinc/25/91/09/181259109.db2.gz OJSFTALXCYKKFQ-FXAWDEMLSA-N 1 1 311.425 3.810 40 0 in-vitro DHABMO C[C@H]1CCC[N@@H+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)C1 ZINC000005723346 181277162 /nfs/dbraw/zinc/27/71/62/181277162.db2.gz OHQWOUQOOHHSLW-NALMEZQBSA-N 1 1 311.510 3.701 40 0 DHABMO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000006007648 181305452 /nfs/dbraw/zinc/30/54/52/181305452.db2.gz FXMYFPOBYHRDNB-IXDOHACOSA-N 1 1 305.462 3.813 40 0 DHABMO CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000006356062 181333759 /nfs/dbraw/zinc/33/37/59/181333759.db2.gz JHQZQXQDMVUSSM-ULQDDVLXSA-N 1 1 305.462 3.672 40 0 DHABMO Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3[nH]c4ccc(F)cc4c3C)C2)n1 ZINC000257272603 203001891 /nfs/dbraw/zinc/00/18/91/203001891.db2.gz NDASRKKRNNVFLP-CYBMUJFWSA-N 1 1 312.392 3.636 40 0 DHABMO CCCn1nccc1-c1cccc(C[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000257337143 203058896 /nfs/dbraw/zinc/05/88/96/203058896.db2.gz YROODDGMWSXDGT-MRXNPFEDSA-N 1 1 312.461 3.628 40 0 DHABMO Cc1ccc(C[N@H+]2CCN(CC3CC3)c3ncccc3C2)s1 ZINC000096060973 193513004 /nfs/dbraw/zinc/51/30/04/193513004.db2.gz MDCNJKFBUCAMAH-UHFFFAOYSA-N 1 1 313.470 3.684 40 0 DHABMO Cc1csc([C@@H](Cc2ccsc2)[NH2+]Cc2cccnc2)n1 ZINC000019240255 182112203 /nfs/dbraw/zinc/11/22/03/182112203.db2.gz ZDCUGWSRZJUVEF-OAHLLOKOSA-N 1 1 315.467 3.982 40 0 DHABMO CCCc1ccc2[nH]c(=O)c(CNc3[nH+]c(C)ccc3O)cc2c1 ZINC000019525495 182128469 /nfs/dbraw/zinc/12/84/69/182128469.db2.gz ZDPBEICXCIFXCY-UHFFFAOYSA-N 1 1 323.396 3.502 40 0 DHABMO COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2ccncc2)c1 ZINC000019565998 182129945 /nfs/dbraw/zinc/12/99/45/182129945.db2.gz BBTRJBRIOVGVLB-SQGPQFPESA-N 1 1 324.424 3.522 40 0 DHABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019565159 182130331 /nfs/dbraw/zinc/13/03/31/182130331.db2.gz PKEIYCPMEZLRHG-KRWDZBQOSA-N 1 1 321.424 3.951 40 0 DHABMO CCN(CC)C[C@H](C[NH+](CC(C)C)CC(C)C)NCC(C)C ZINC000022859800 182337800 /nfs/dbraw/zinc/33/78/00/182337800.db2.gz GNOXJLFBYFFUMU-LJQANCHMSA-N 1 1 313.574 3.556 40 0 DHABMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038835060 183011515 /nfs/dbraw/zinc/01/15/15/183011515.db2.gz UIWJFMRYTWLCSC-QGZVFWFLSA-N 1 1 324.424 3.546 40 0 DHABMO Cc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000072227785 257122514 /nfs/dbraw/zinc/12/25/14/257122514.db2.gz BTDVEIHAOLRLFE-CABCVRRESA-N 1 1 321.207 3.717 40 0 DHABMO CC(C)C[C@@H]([NH3+])c1nc(C2=Cc3cc(Cl)ccc3OC2)no1 ZINC000062716608 257129289 /nfs/dbraw/zinc/12/92/89/257129289.db2.gz DVLVMQDVFADKSO-CYBMUJFWSA-N 1 1 319.792 3.702 40 0 DHABMO CC(=O)N1C=Cc2ccccc2[C@@H]1[C@@H]1[NH2+]C=Cc2ccccc21 ZINC000001577828 257231324 /nfs/dbraw/zinc/23/13/24/257231324.db2.gz AJSRKSMZXNELTH-WOJBJXKFSA-N 1 1 302.377 3.876 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCOc1ccc(C=O)cc1OC ZINC000008731538 563644135 /nfs/dbraw/zinc/64/41/35/563644135.db2.gz PKHPFDVZODZGIE-INIZCTEOSA-N 1 1 305.418 3.541 40 0 DHABMO COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)[N@H+]2Cc2ccccn2)c1 ZINC000012085290 563361574 /nfs/dbraw/zinc/36/15/74/563361574.db2.gz YBKLQPLDFPGHIL-SYNHAJSKSA-N 1 1 324.424 3.522 40 0 DHABMO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1cccc2cccnc21 ZINC000012186459 563363850 /nfs/dbraw/zinc/36/38/50/563363850.db2.gz WPKKFFLMEUMDPA-APWZRJJASA-N 1 1 316.408 3.595 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(Cl)c1 ZINC000013672675 563385510 /nfs/dbraw/zinc/38/55/10/563385510.db2.gz CENAUFREANMIOP-INIZCTEOSA-N 1 1 308.853 3.724 40 0 DHABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000012170242 563480065 /nfs/dbraw/zinc/48/00/65/563480065.db2.gz HDWDFQCOCPBEAT-SOLBZPMBSA-N 1 1 319.489 3.702 40 0 DHABMO c1csc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c1 ZINC000096057903 563532082 /nfs/dbraw/zinc/53/20/82/563532082.db2.gz DAKPXBWBDGCWCO-RCCFBDPRSA-N 1 1 321.486 3.687 40 0 DHABMO c1csc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c1 ZINC000096057903 563532085 /nfs/dbraw/zinc/53/20/85/563532085.db2.gz DAKPXBWBDGCWCO-RCCFBDPRSA-N 1 1 321.486 3.687 40 0 DHABMO CC(C)C(=O)N1CC[C@@]2(CCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000096071045 563532387 /nfs/dbraw/zinc/53/23/87/563532387.db2.gz JEVHUZFRDRJSDP-SFHVURJKSA-N 1 1 320.864 3.563 40 0 DHABMO CCC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000096158518 563534911 /nfs/dbraw/zinc/53/49/11/563534911.db2.gz NWQGNJIYMRLZPU-UHFFFAOYSA-N 1 1 314.473 3.610 40 0 DHABMO [NH3+][C@@H](c1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1)c1ccccc1 ZINC000095533451 563567711 /nfs/dbraw/zinc/56/77/11/563567711.db2.gz DEUFHSZAADCPOU-CYBMUJFWSA-N 1 1 318.302 3.539 40 0 DHABMO Cc1ccn2c(c1)[nH+]c(-c1ccc(O)cc1)c2NC[C@@H]1CCCO1 ZINC000000417358 563608160 /nfs/dbraw/zinc/60/81/60/563608160.db2.gz PCXNXHUYQZIPQR-INIZCTEOSA-N 1 1 323.396 3.606 40 0 DHABMO CC(=O)N[C@@]1(c2ccccc2)CC[N@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000001514733 563620908 /nfs/dbraw/zinc/62/09/08/563620908.db2.gz LTMCHGVWSAGBIT-NDXORKPFSA-N 1 1 322.452 3.731 40 0 DHABMO CCOc1cc(C=O)ccc1OCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000217789536 563714564 /nfs/dbraw/zinc/71/45/64/563714564.db2.gz UWWNHWFBMMLTNM-GASCZTMLSA-N 1 1 305.418 3.540 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccccc1Cl ZINC000225439531 563755370 /nfs/dbraw/zinc/75/53/70/563755370.db2.gz ZKVKYVMTFGTESX-INIZCTEOSA-N 1 1 322.880 3.653 40 0 DHABMO CCCn1nccc1-c1cccc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000257200875 563789470 /nfs/dbraw/zinc/78/94/70/563789470.db2.gz AFEVSIWSGCWKTQ-MRXNPFEDSA-N 1 1 312.461 3.943 40 0 DHABMO C[C@@H]1Cc2ccccc2CN1c1cc(NC2CC2)[nH+]c(C2CC2)n1 ZINC000329063312 563833812 /nfs/dbraw/zinc/83/38/12/563833812.db2.gz XCHPDISFEIPVIV-CYBMUJFWSA-N 1 1 320.440 3.880 40 0 DHABMO C[C@@H]1Cc2ccccc2CN1c1cc(NC2CC2)nc(C2CC2)[nH+]1 ZINC000329063312 563833816 /nfs/dbraw/zinc/83/38/16/563833816.db2.gz XCHPDISFEIPVIV-CYBMUJFWSA-N 1 1 320.440 3.880 40 0 DHABMO C[C@H](c1ccccn1)[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000101682196 568414986 /nfs/dbraw/zinc/41/49/86/568414986.db2.gz AZUVUIZQXCYECR-CABCVRRESA-N 1 1 319.449 3.522 40 0 DHABMO CN1C[C@@H]2C[N@H+](Cc3ccccc3)[C@H](CCc3ccccc3)[C@@H]2C1 ZINC000409427909 1014596165 /nfs/dbraw/zinc/59/61/65/1014596165.db2.gz CUJWSDNZRFHQRJ-YPAWHYETSA-N 1 1 320.480 3.681 40 0 DHABMO CN1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@H](CCc3ccccc3)[C@@H]2C1 ZINC000409427909 1014596189 /nfs/dbraw/zinc/59/61/89/1014596189.db2.gz CUJWSDNZRFHQRJ-YPAWHYETSA-N 1 1 320.480 3.681 40 0 DHABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000082336950 185176384 /nfs/dbraw/zinc/17/63/84/185176384.db2.gz HMBZBDFQLNKIGD-SECBINFHSA-N 1 1 320.742 3.639 40 0 DHABMO Cc1nccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072378669 191141340 /nfs/dbraw/zinc/14/13/40/191141340.db2.gz RYMWCKNZBJALRO-LJQANCHMSA-N 1 1 318.424 3.913 40 0 DHABMO Cc1cccc([C@]2(O)CCC[C@H]3C[N@@H+](Cc4ccncc4)C[C@@H]32)c1 ZINC000019234492 182111167 /nfs/dbraw/zinc/11/11/67/182111167.db2.gz WZKXWNXCIGMSRI-SESVDKBCSA-N 1 1 322.452 3.510 40 0 DHABMO CN(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CCCCC1=C1CCCC[C@@H]12 ZINC000019366337 182119306 /nfs/dbraw/zinc/11/93/06/182119306.db2.gz FXNFBJIRFUKCIC-LWYYNNOASA-N 1 1 302.506 3.787 40 0 DHABMO CCn1ncc(C[N@H+]2CCCCC[C@H]2c2cc(C)no2)c1C ZINC000019523951 182128230 /nfs/dbraw/zinc/12/82/30/182128230.db2.gz KUBBHBNYGDAYCB-INIZCTEOSA-N 1 1 302.422 3.625 40 0 DHABMO CC1CCN(C(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000020460176 182220150 /nfs/dbraw/zinc/22/01/50/182220150.db2.gz FIOGAAMSEWNEHT-KRWDZBQOSA-N 1 1 314.473 3.791 40 0 DHABMO O=C(Nc1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038849281 183010910 /nfs/dbraw/zinc/01/09/10/183010910.db2.gz LDDQRVBFWFNMDZ-MRXNPFEDSA-N 1 1 312.388 3.676 40 0 DHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CCCC3)cc2)C1 ZINC000038832519 183010937 /nfs/dbraw/zinc/01/09/37/183010937.db2.gz DUNYDOJBLZJIJJ-OAHLLOKOSA-N 1 1 300.446 3.591 40 0 DHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000038832880 183011593 /nfs/dbraw/zinc/01/15/93/183011593.db2.gz NMHAYAZIIBAAMY-OAHLLOKOSA-N 1 1 319.408 3.731 40 0 DHABMO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccncc1 ZINC000043277828 183350541 /nfs/dbraw/zinc/35/05/41/183350541.db2.gz UVSSMRCKMBMZJO-UHFFFAOYSA-N 1 1 324.403 3.510 40 0 DHABMO Fc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccncc1 ZINC000043277828 183350543 /nfs/dbraw/zinc/35/05/43/183350543.db2.gz UVSSMRCKMBMZJO-UHFFFAOYSA-N 1 1 324.403 3.510 40 0 DHABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219650 257124444 /nfs/dbraw/zinc/12/44/44/257124444.db2.gz ZKPGKWBBLOQCQO-SFHVURJKSA-N 1 1 317.477 3.554 40 0 DHABMO CCCC[N@H+]1CCCC[C@@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219424 257124578 /nfs/dbraw/zinc/12/45/78/257124578.db2.gz XCMSHKSUDFNSKQ-GOSISDBHSA-N 1 1 317.477 3.554 40 0 DHABMO CC[N@H+]1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214335 257125914 /nfs/dbraw/zinc/12/59/14/257125914.db2.gz RPINRFQTDFVSEE-AWEZNQCLSA-N 1 1 305.422 3.976 40 0 DHABMO CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1C ZINC000072214512 257126035 /nfs/dbraw/zinc/12/60/35/257126035.db2.gz DSXINVWLOVHLFQ-AWEZNQCLSA-N 1 1 305.422 3.610 40 0 DHABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2CC)cn1 ZINC000072214609 257126305 /nfs/dbraw/zinc/12/63/05/257126305.db2.gz MJOBDHGTKGEHGY-OAHLLOKOSA-N 1 1 319.449 4.000 40 0 DHABMO CC[N@H+]1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214490 257126541 /nfs/dbraw/zinc/12/65/41/257126541.db2.gz VSMRKWUJCNCLKE-AWEZNQCLSA-N 1 1 305.422 3.610 40 0 DHABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1C ZINC000072214812 257126693 /nfs/dbraw/zinc/12/66/93/257126693.db2.gz PPDBHDODHIOFBK-HNNXBMFYSA-N 1 1 319.449 4.000 40 0 DHABMO C[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215307 257126697 /nfs/dbraw/zinc/12/66/97/257126697.db2.gz GWCSBVCYCUIHJO-HNNXBMFYSA-N 1 1 317.433 3.752 40 0 DHABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214454 257126730 /nfs/dbraw/zinc/12/67/30/257126730.db2.gz QTUOZMJFDSLMRC-OAHLLOKOSA-N 1 1 319.449 4.000 40 0 DHABMO Cc1cccc([C@]2(O)CCC[C@@H]3C[N@@H+](Cc4ccncc4)C[C@H]32)c1 ZINC000248119723 341373492 /nfs/dbraw/zinc/37/34/92/341373492.db2.gz WZKXWNXCIGMSRI-HMXCVIKNSA-N 1 1 322.452 3.510 40 0 DHABMO COc1cccc(C=O)c1OCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000217789944 563714859 /nfs/dbraw/zinc/71/48/59/563714859.db2.gz HUEIPUFUKWDIOH-GASCZTMLSA-N 1 1 305.418 3.540 40 0 DHABMO COc1cc2c(cc1OC)CC(C)(C)[N@H+](Cc1ccco1)C2 ZINC000000178882 563228478 /nfs/dbraw/zinc/22/84/78/563228478.db2.gz PPJAQBBWCZTFAU-UHFFFAOYSA-N 1 1 301.386 3.634 40 0 DHABMO COc1cc2c(cc1OC)CC(C)(C)[N@@H+](Cc1ccco1)C2 ZINC000000178882 563228480 /nfs/dbraw/zinc/22/84/80/563228480.db2.gz PPJAQBBWCZTFAU-UHFFFAOYSA-N 1 1 301.386 3.634 40 0 DHABMO Cc1cc2cc(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)ccc2o1 ZINC000012199528 563363909 /nfs/dbraw/zinc/36/39/09/563363909.db2.gz PXINLEZIVHZVAH-HNNXBMFYSA-N 1 1 314.429 3.591 40 0 DHABMO COc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2cccnc2)cc1 ZINC000012222601 563364736 /nfs/dbraw/zinc/36/47/36/563364736.db2.gz AWCDBPOHAKXSBK-QKLQHJQFSA-N 1 1 324.424 3.522 40 0 DHABMO COc1cc2c(cc1C[N@@H+]1CCc3sccc3[C@H]1C)OCO2 ZINC000012241070 563365683 /nfs/dbraw/zinc/36/56/83/563365683.db2.gz RRHJUWYMVSPWTP-LLVKDONJSA-N 1 1 317.410 3.605 40 0 DHABMO COc1cc2c(cc1C[N@H+]1CCc3sccc3[C@H]1C)OCO2 ZINC000012241070 563365685 /nfs/dbraw/zinc/36/56/85/563365685.db2.gz RRHJUWYMVSPWTP-LLVKDONJSA-N 1 1 317.410 3.605 40 0 DHABMO Fc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2ccncc2)cc1 ZINC000012338004 563366333 /nfs/dbraw/zinc/36/63/33/563366333.db2.gz VQWMKTDYCZUVSX-WDYCEAGBSA-N 1 1 312.388 3.653 40 0 DHABMO CC[C@H](O)C[N@@H+](Cc1c[nH]c2ccccc12)Cc1ccccc1 ZINC000068605850 563495692 /nfs/dbraw/zinc/49/56/92/563495692.db2.gz LTOUAOJCUILPSO-SFHVURJKSA-N 1 1 308.425 3.941 40 0 DHABMO CC[C@@H](O)C[N@@H+](Cc1c[nH]c2ccccc12)Cc1ccccc1 ZINC000068605854 563495863 /nfs/dbraw/zinc/49/58/63/563495863.db2.gz LTOUAOJCUILPSO-GOSISDBHSA-N 1 1 308.425 3.941 40 0 DHABMO O=C1CC[C@@]2(CCC[N@@H+](CC3CC3)CC2)N1CC1CCCCC1 ZINC000585100637 563517127 /nfs/dbraw/zinc/51/71/27/563517127.db2.gz RGPNIFXAGBNJIL-HXUWFJFHSA-N 1 1 318.505 3.824 40 0 DHABMO c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@H+]2Cc2ccccn2)cc1 ZINC000096061592 563532040 /nfs/dbraw/zinc/53/20/40/563532040.db2.gz DBMMLLIYSUWIST-LEWJYISDSA-N 1 1 322.452 3.694 40 0 DHABMO c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@H+]2Cc2ccncc2)cc1 ZINC000096061594 563532167 /nfs/dbraw/zinc/53/21/67/563532167.db2.gz FJTNGGOIOLWPGG-LEWJYISDSA-N 1 1 322.452 3.694 40 0 DHABMO c1csc(CN2CC3(C2)CC[N@@H+](Cc2ccsc2)C3)c1 ZINC000096046480 563532478 /nfs/dbraw/zinc/53/24/78/563532478.db2.gz WXRUYFBTIIYFKR-UHFFFAOYSA-N 1 1 304.484 3.518 40 0 DHABMO CC(C)[N@@H+](C)Cc1cncc2c1CCN(Cc1ccsc1)C2 ZINC000096189465 563535607 /nfs/dbraw/zinc/53/56/07/563535607.db2.gz LHOQUVBNYVWDBD-UHFFFAOYSA-N 1 1 315.486 3.542 40 0 DHABMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1)c2NC[C@@H]1CCCO1 ZINC000000417330 563608420 /nfs/dbraw/zinc/60/84/20/563608420.db2.gz DKUZPZWXJHLFCI-INIZCTEOSA-N 1 1 307.397 3.901 40 0 DHABMO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)nc1 ZINC000049155343 563700955 /nfs/dbraw/zinc/70/09/55/563700955.db2.gz URHQAEZOCXQOPY-INIZCTEOSA-N 1 1 324.359 3.608 40 0 biogenic,in-vitro DHABMO Fc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)nc1 ZINC000049155343 563700956 /nfs/dbraw/zinc/70/09/56/563700956.db2.gz URHQAEZOCXQOPY-INIZCTEOSA-N 1 1 324.359 3.608 40 0 biogenic,in-vitro DHABMO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](CC(C)(C)C)C2)o1 ZINC000049170034 563701021 /nfs/dbraw/zinc/70/10/21/563701021.db2.gz NINMAQCCQWUMCV-ZDUSSCGKSA-N 1 1 315.417 3.581 40 0 biogenic,in-vitro DHABMO CCOc1cc(C=O)ccc1OCCCC[N@H+]1CCCC[C@@H]1C ZINC000217798696 563714464 /nfs/dbraw/zinc/71/44/64/563714464.db2.gz MAPWXYHGHNHPJC-INIZCTEOSA-N 1 1 319.445 3.931 40 0 DHABMO C[C@@H]1Cc2ccccc2CN1c1cc[nH+]c(NC2CCCC2)n1 ZINC000328979620 563832957 /nfs/dbraw/zinc/83/29/57/563832957.db2.gz GHWUWYPMSNHQQT-CQSZACIVSA-N 1 1 308.429 3.782 40 0 DHABMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000038832815 563923085 /nfs/dbraw/zinc/92/30/85/563923085.db2.gz WRNMXHAPFJPEKZ-PXNSSMCTSA-N 1 1 322.452 3.776 40 0 DHABMO c1ccc(Cc2cccc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000072358150 191130504 /nfs/dbraw/zinc/13/05/04/191130504.db2.gz KJFKQSIWOYDXIV-NRFANRHFSA-N 1 1 322.452 3.988 40 0 DHABMO c1ccc(Cc2cccc([C@H]3CCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000072358151 191130557 /nfs/dbraw/zinc/13/05/57/191130557.db2.gz KJFKQSIWOYDXIV-OAQYLSRUSA-N 1 1 322.452 3.988 40 0 DHABMO Cc1cc(C)nc([C@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)n1 ZINC000072369684 191139872 /nfs/dbraw/zinc/13/98/72/191139872.db2.gz OOXUUHKKYCPNNK-SFHVURJKSA-N 1 1 318.424 3.631 40 0 DHABMO Fc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)cc1 ZINC000072395171 191149638 /nfs/dbraw/zinc/14/96/38/191149638.db2.gz BBOINKRJODLLQO-RBUKOAKNSA-N 1 1 321.399 3.932 40 0 DHABMO CCOCC[N@@H+](CC)[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000005699560 181274283 /nfs/dbraw/zinc/27/42/83/181274283.db2.gz AYGOMERSBRPVHA-WOJBJXKFSA-N 1 1 313.441 3.820 40 0 DHABMO Cc1cc(C)c(OC[C@H](O)C[N@H+](C)C2CCCCC2)c(C)c1 ZINC000006008546 181305766 /nfs/dbraw/zinc/30/57/66/181305766.db2.gz YUHHTAQBGVWCLG-GOSISDBHSA-N 1 1 305.462 3.616 40 0 DHABMO CC[C@@H](OC[C@@H](O)C[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000006356110 181333954 /nfs/dbraw/zinc/33/39/54/181333954.db2.gz ZYEJBRMTHITMNI-RBUKOAKNSA-N 1 1 305.462 3.780 40 0 DHABMO Cc1nc(-c2cc(C[C@@H]3CCC[N@H+](C)C3)ccn2)sc1C ZINC000257279919 203008372 /nfs/dbraw/zinc/00/83/72/203008372.db2.gz OISMIOXNLLWWAW-HNNXBMFYSA-N 1 1 301.459 3.706 40 0 DHABMO Fc1ccccc1Cc1cnc([C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000257313034 203036480 /nfs/dbraw/zinc/03/64/80/203036480.db2.gz UQSWIWWLKYQYNV-MRXNPFEDSA-N 1 1 314.404 3.994 40 0 DHABMO CCNc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C)cc2)nc(C)n1 ZINC000257323053 203047786 /nfs/dbraw/zinc/04/77/86/203047786.db2.gz WIOOWTLQRMPCDM-SFHVURJKSA-N 1 1 310.445 3.862 40 0 DHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2ccccc2)cc1 ZINC000020451357 182218624 /nfs/dbraw/zinc/21/86/24/182218624.db2.gz JVMNLEVTOKPCQC-FMIVXFBMSA-N 1 1 317.392 3.510 40 0 DHABMO O=C(Nc1ccccc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038849216 183010947 /nfs/dbraw/zinc/01/09/47/183010947.db2.gz SCBQQUWCBLSALZ-INIZCTEOSA-N 1 1 312.388 3.676 40 0 DHABMO CCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038858874 183012287 /nfs/dbraw/zinc/01/22/87/183012287.db2.gz PPUGDHNYFHLAAI-INIZCTEOSA-N 1 1 322.880 3.858 40 0 DHABMO CCCC[N@H+]1CCCC[C@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219365 257124062 /nfs/dbraw/zinc/12/40/62/257124062.db2.gz GYKGRBVVICFBSN-SFHVURJKSA-N 1 1 317.477 3.554 40 0 DHABMO Cc1[nH+]c(N(C)C)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072218769 257124466 /nfs/dbraw/zinc/12/44/66/257124466.db2.gz BJHUSGJORYMVKO-OAHLLOKOSA-N 1 1 319.449 3.918 40 0 DHABMO Cc1cc(N(C)C)[nH+]cc1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072218677 257124769 /nfs/dbraw/zinc/12/47/69/257124769.db2.gz JTTUFZOITPGJAX-AWEZNQCLSA-N 1 1 305.422 3.528 40 0 DHABMO COc1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000049168845 560084798 /nfs/dbraw/zinc/08/47/98/560084798.db2.gz QYRRGIQSGBJWFB-HNNXBMFYSA-N 1 1 308.381 3.826 40 0 biogenic,in-vitro DHABMO COc1ccc(-c2cn(-c3ccccc3)c3nc[nH+]c(N)c23)cc1 ZINC000001609268 563287342 /nfs/dbraw/zinc/28/73/42/563287342.db2.gz KOFGCEDKGQUYDQ-UHFFFAOYSA-N 1 1 316.364 3.678 40 0 DHABMO C[NH+](C)CCC[NH+]1CCC2(CCC[C@H](C(F)(F)F)C2)CC1 ZINC000002016535 563297463 /nfs/dbraw/zinc/29/74/63/563297463.db2.gz BJDREZAXPCVNLF-AWEZNQCLSA-N 1 1 306.416 3.773 40 0 DHABMO CN(C)CCC[NH+]1CCC2(CCC[C@H](C(F)(F)F)C2)CC1 ZINC000002016535 563297467 /nfs/dbraw/zinc/29/74/67/563297467.db2.gz BJDREZAXPCVNLF-AWEZNQCLSA-N 1 1 306.416 3.773 40 0 DHABMO Fc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2cccnc2)cc1 ZINC000012085377 563361888 /nfs/dbraw/zinc/36/18/88/563361888.db2.gz LPXOVGUCSUIEGK-WDYCEAGBSA-N 1 1 312.388 3.653 40 0 DHABMO COc1ccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)[N@H+]2Cc2cccnc2)cc1 ZINC000012085384 563362019 /nfs/dbraw/zinc/36/20/19/563362019.db2.gz AWCDBPOHAKXSBK-FUHIMQAGSA-N 1 1 324.424 3.522 40 0 DHABMO Cc1ccc2c(c1)CNC[C@]1(CCC[N@@H+](Cc3ccccc3)C1)O2 ZINC000012122986 563362406 /nfs/dbraw/zinc/36/24/06/563362406.db2.gz CLTJTUMRSISCCL-NRFANRHFSA-N 1 1 322.452 3.512 40 0 DHABMO Cc1ccc2c(c1)C[NH2+]C[C@]1(CCCN(Cc3ccccc3)C1)O2 ZINC000012122986 563362408 /nfs/dbraw/zinc/36/24/08/563362408.db2.gz CLTJTUMRSISCCL-NRFANRHFSA-N 1 1 322.452 3.512 40 0 DHABMO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1cccc2cccnc21 ZINC000012186457 563363766 /nfs/dbraw/zinc/36/37/66/563363766.db2.gz WPKKFFLMEUMDPA-QFBILLFUSA-N 1 1 316.408 3.595 40 0 DHABMO Cc1ccccc1[C@@](C)(O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000013281782 563380221 /nfs/dbraw/zinc/38/02/21/563380221.db2.gz PYOMJEQDMMMXAA-FQEVSTJZSA-N 1 1 306.409 3.690 40 0 DHABMO COc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000031912123 563441445 /nfs/dbraw/zinc/44/14/45/563441445.db2.gz QOWAEAOVVVVSBP-QGZVFWFLSA-N 1 1 305.805 3.514 40 0 DHABMO CC(C)C(=O)N1CC[C@]2(CCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000096071044 563532739 /nfs/dbraw/zinc/53/27/39/563532739.db2.gz JEVHUZFRDRJSDP-GOSISDBHSA-N 1 1 320.864 3.563 40 0 DHABMO Cc1cc(OC[C@]2(O)CCC[N@H+](C3CCC3)C2)cc(C)c1Cl ZINC000585282137 563541632 /nfs/dbraw/zinc/54/16/32/563541632.db2.gz YCZWUPNSTVUYJK-SFHVURJKSA-N 1 1 323.864 3.715 40 0 DHABMO Cc1cccc(C)c1NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000000353315 563616141 /nfs/dbraw/zinc/61/61/41/563616141.db2.gz RVGMBJVDJFDQQR-MRXNPFEDSA-N 1 1 315.461 3.832 40 0 DHABMO CCCc1nnc([C@H]2CC[N@@H+](Cc3cnc4ccccc4c3)C2)o1 ZINC000049170275 563700983 /nfs/dbraw/zinc/70/09/83/563700983.db2.gz PIKNWHNJLJJNPO-INIZCTEOSA-N 1 1 322.412 3.560 40 0 biogenic,in-vitro DHABMO CCOc1cc(C=O)ccc1OCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000217791663 563714795 /nfs/dbraw/zinc/71/47/95/563714795.db2.gz ZZCSTKNPMXZFKC-IYBDPMFKSA-N 1 1 319.445 3.930 40 0 DHABMO CCC[NH+](CCC)CN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000033717506 563770162 /nfs/dbraw/zinc/77/01/62/563770162.db2.gz YYCYPMGMQZVCSL-NTCAYCPXSA-N 1 1 318.442 3.802 40 0 DHABMO CC(C)[C@@H](C)NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260893040 563781664 /nfs/dbraw/zinc/78/16/64/563781664.db2.gz GIEICFOSJOJGJH-JKSUJKDBSA-N 1 1 302.462 3.693 40 0 DHABMO Cc1cnc([C@H]2C[N@H+](Cc3cccc4ccccc43)CCO2)cn1 ZINC000257206947 563789702 /nfs/dbraw/zinc/78/97/02/563789702.db2.gz BFPQLUQAMVEVPU-HXUWFJFHSA-N 1 1 319.408 3.512 40 0 DHABMO Cc1cnc([C@H]2C[N@@H+](Cc3cccc4ccccc43)CCO2)cn1 ZINC000257206947 563789704 /nfs/dbraw/zinc/78/97/04/563789704.db2.gz BFPQLUQAMVEVPU-HXUWFJFHSA-N 1 1 319.408 3.512 40 0 DHABMO CC(C)N1CCCC[C@H]1c1csc([N-]c2ncccn2)n1 ZINC000257261053 563792445 /nfs/dbraw/zinc/79/24/45/563792445.db2.gz LFNMHYAMCXXWNQ-ZDUSSCGKSA-N 1 1 303.435 3.612 40 0 DHABMO C[C@H]1CCC[N@@H+](C[C@@H](O)COC2CCC(C(C)(C)C)CC2)C1 ZINC000026781035 563856515 /nfs/dbraw/zinc/85/65/15/563856515.db2.gz OHQWOUQOOHHSLW-PBHCIXSXSA-N 1 1 311.510 3.701 40 0 DHABMO Clc1cccc(C[N@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)c1 ZINC000035442891 563867351 /nfs/dbraw/zinc/86/73/51/563867351.db2.gz AZHUSTCPKRGEMA-ZDUSSCGKSA-N 1 1 312.804 3.601 40 0 biogenic,in-vitro DHABMO CC[C@@H](C)Nc1nc(N2CCc3ccccc3C2)cc(C2CC2)[nH+]1 ZINC000329003368 563960377 /nfs/dbraw/zinc/96/03/77/563960377.db2.gz KLVHWQTXSHDDDU-CQSZACIVSA-N 1 1 322.456 4.127 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(C)c(C)cc1C ZINC000225649570 186286649 /nfs/dbraw/zinc/28/66/49/186286649.db2.gz LVOXJBJYEWXTCH-SFHVURJKSA-N 1 1 316.489 3.996 40 0 DHABMO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000004011543 181062207 /nfs/dbraw/zinc/06/22/07/181062207.db2.gz FMTHLQDBSCILBQ-QXCZDIPSSA-N 1 1 311.510 3.557 40 0 DHABMO C[C@H]1CCC[N@H+]1CCOC(=O)[C@@H](c1ccccc1)C1CCCC1 ZINC000004404509 181107530 /nfs/dbraw/zinc/10/75/30/181107530.db2.gz YLQSFTKJKOZBBJ-LPHOPBHVSA-N 1 1 315.457 3.988 40 0 DHABMO Nc1cc(N)[nH+]c(SC(c2ccccc2)c2ccccc2)n1 ZINC000006276816 181325798 /nfs/dbraw/zinc/32/57/98/181325798.db2.gz SPMBWPQWZDAQPL-UHFFFAOYSA-N 1 1 308.410 3.523 40 0 DHABMO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000006455339 181341992 /nfs/dbraw/zinc/34/19/92/181341992.db2.gz GNUQLAUHEYANBI-BBWFWOEESA-N 1 1 305.462 3.528 40 0 DHABMO CCn1nccc1-c1cc(C[C@H]2CCC[N@H+](C(C)C)C2)ccn1 ZINC000257235495 202969049 /nfs/dbraw/zinc/96/90/49/202969049.db2.gz GYCOBGCWFJBYEY-QGZVFWFLSA-N 1 1 312.461 3.628 40 0 DHABMO Fc1ccccc1C[N@H+]1CC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000257313510 203038858 /nfs/dbraw/zinc/03/88/58/203038858.db2.gz USWQNEPQEGHABZ-MRXNPFEDSA-N 1 1 323.371 3.865 40 0 DHABMO CCCn1nccc1-c1cccc(C[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000257337142 203057815 /nfs/dbraw/zinc/05/78/15/203057815.db2.gz YROODDGMWSXDGT-INIZCTEOSA-N 1 1 312.461 3.628 40 0 DHABMO COc1ccc(N(CC(=O)c2ccccc2)C2=[NH+]CCCC2)cc1 ZINC000007275549 181451387 /nfs/dbraw/zinc/45/13/87/181451387.db2.gz QHOJJLWGAQHNJB-UHFFFAOYSA-N 1 1 322.408 3.967 40 0 DHABMO c1csc(-c2noc([C@H]3CC[N@H+](Cc4ccsc4)C3)n2)c1 ZINC000019344697 182117790 /nfs/dbraw/zinc/11/77/90/182117790.db2.gz KOIGCNRRLSWDRI-LBPRGKRZSA-N 1 1 317.439 3.849 40 0 DHABMO c1csc(C[N@H+]2CC[C@@H](c3nc(-c4cccs4)no3)C2)c1 ZINC000019343386 182116592 /nfs/dbraw/zinc/11/65/92/182116592.db2.gz PMLQNIZCWSWBAX-LLVKDONJSA-N 1 1 317.439 3.849 40 0 DHABMO CCOc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2ncccc23)ccc1OC ZINC000019531883 182129244 /nfs/dbraw/zinc/12/92/44/182129244.db2.gz IXDJRXGHRMRGGT-MAUKXSAKSA-N 1 1 324.424 3.751 40 0 DHABMO CCOc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2ncccc23)ccc1OC ZINC000019531883 182129246 /nfs/dbraw/zinc/12/92/46/182129246.db2.gz IXDJRXGHRMRGGT-MAUKXSAKSA-N 1 1 324.424 3.751 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1cc(C)ccc1C ZINC000020111362 182188168 /nfs/dbraw/zinc/18/81/68/182188168.db2.gz QKVVJIVMHIXNTL-LJQANCHMSA-N 1 1 316.489 3.617 40 0 DHABMO CC[NH+](CC)CCNCc1cccc(OCc2ccccc2)c1 ZINC000022075428 182307833 /nfs/dbraw/zinc/30/78/33/182307833.db2.gz CMJMYSVEXWEAEY-UHFFFAOYSA-N 1 1 312.457 3.697 40 0 DHABMO CC1(C)COC(C[NH+](Cc2ccccc2)Cc2ccccc2)=N1 ZINC000024716650 182389135 /nfs/dbraw/zinc/38/91/35/182389135.db2.gz XTGLRZAIAFIHJY-UHFFFAOYSA-N 1 1 308.425 3.896 40 0 DHABMO Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038833155 183011121 /nfs/dbraw/zinc/01/11/21/183011121.db2.gz NIMNESAALLKLFC-SFHVURJKSA-N 1 1 308.425 3.846 40 0 DHABMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038835061 183011662 /nfs/dbraw/zinc/01/16/62/183011662.db2.gz UIWJFMRYTWLCSC-KRWDZBQOSA-N 1 1 324.424 3.546 40 0 DHABMO Cc1ccccc1CC[N@@H+]1CCOc2nc3ccccc3cc2C1 ZINC000057719216 184049786 /nfs/dbraw/zinc/04/97/86/184049786.db2.gz DUPARCKIQOGAMG-UHFFFAOYSA-N 1 1 318.420 3.980 40 0 DHABMO Cc1ccccc1CC[N@H+]1CCOc2nc3ccccc3cc2C1 ZINC000057719216 184049788 /nfs/dbraw/zinc/04/97/88/184049788.db2.gz DUPARCKIQOGAMG-UHFFFAOYSA-N 1 1 318.420 3.980 40 0 DHABMO CC(C)OCCC[N@@H+](Cc1cccs1)Cc1ccncc1 ZINC000057797105 184053088 /nfs/dbraw/zinc/05/30/88/184053088.db2.gz UGXFCOJZTNLENP-UHFFFAOYSA-N 1 1 304.459 3.960 40 0 DHABMO Cc1ccsc1C[N@H+](CCCO)Cc1cc(F)ccc1F ZINC000057822651 184055661 /nfs/dbraw/zinc/05/56/61/184055661.db2.gz RNROBDAOZMXINL-UHFFFAOYSA-N 1 1 311.397 3.719 40 0 DHABMO Cc1ccsc1C[N@@H+](CCCO)Cc1cc(F)ccc1F ZINC000057822651 184055662 /nfs/dbraw/zinc/05/56/62/184055662.db2.gz RNROBDAOZMXINL-UHFFFAOYSA-N 1 1 311.397 3.719 40 0 DHABMO Cc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000072227783 257122477 /nfs/dbraw/zinc/12/24/77/257122477.db2.gz BTDVEIHAOLRLFE-GJZGRUSLSA-N 1 1 321.207 3.717 40 0 DHABMO CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2ncccc23)cc1OC ZINC000012222197 563364608 /nfs/dbraw/zinc/36/46/08/563364608.db2.gz QZUAMOFHHXXURY-MAUKXSAKSA-N 1 1 324.424 3.751 40 0 DHABMO CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2ncccc23)cc1OC ZINC000012222197 563364611 /nfs/dbraw/zinc/36/46/11/563364611.db2.gz QZUAMOFHHXXURY-MAUKXSAKSA-N 1 1 324.424 3.751 40 0 DHABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1 ZINC000012236400 563365329 /nfs/dbraw/zinc/36/53/29/563365329.db2.gz LSBHUEHEOSZKOE-GOSISDBHSA-N 1 1 307.397 3.909 40 0 DHABMO CCOc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccn(C)n2)cc1 ZINC000012275815 563365742 /nfs/dbraw/zinc/36/57/42/563365742.db2.gz DGYYNZMRWACISA-LJQANCHMSA-N 1 1 313.445 3.936 40 0 DHABMO CN(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CCCCC1=C1CCCC[C@H]12 ZINC000022585498 563419261 /nfs/dbraw/zinc/41/92/61/563419261.db2.gz FXNFBJIRFUKCIC-FGYAAKKASA-N 1 1 302.506 3.787 40 0 DHABMO c1ccc2c(c1)-c1nc3ccccc3cc1[C@@H]2[NH+]1CCOCC1 ZINC000031637925 563440692 /nfs/dbraw/zinc/44/06/92/563440692.db2.gz GCVZMKPZSVQVNL-HXUWFJFHSA-N 1 1 302.377 3.637 40 0 in-vitro DHABMO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000044910175 563464441 /nfs/dbraw/zinc/46/44/41/563464441.db2.gz FNQZKGLAPAJKTF-GOSISDBHSA-N 1 1 308.425 3.562 40 0 DHABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CCc2ccc(Cl)cc2)C1 ZINC000046960933 563465624 /nfs/dbraw/zinc/46/56/24/563465624.db2.gz MIKABUNYWYRRTM-OAHLLOKOSA-N 1 1 322.880 3.511 40 0 DHABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)C1(c3ccccc3)CCCC1)C2 ZINC000000093690 563512805 /nfs/dbraw/zinc/51/28/05/563512805.db2.gz WQIVCNLLAVUHIE-JWTNVVGKSA-N 1 1 313.441 3.667 40 0 DHABMO c1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)cs1 ZINC000096056999 563532013 /nfs/dbraw/zinc/53/20/13/563532013.db2.gz WMUHCITWGNZEDZ-QZTJIDSGSA-N 1 1 321.486 3.546 40 0 DHABMO Fc1ccc(CN2CC3(C2)CC[N@@H+](Cc2ccsc2)C3)cc1 ZINC000096046486 563532467 /nfs/dbraw/zinc/53/24/67/563532467.db2.gz YBVNJTZTOBSCOU-UHFFFAOYSA-N 1 1 316.445 3.595 40 0 DHABMO COc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](CC(C)C)C3)cc1 ZINC000096215266 563535589 /nfs/dbraw/zinc/53/55/89/563535589.db2.gz XOLJLRIEHGBXJO-FQEVSTJZSA-N 1 1 316.489 3.639 40 0 DHABMO Cc1cc([C@@H]2c3ccccc3CCC[N@H+]2[C@@H]2CCOC2)ccn1 ZINC000096260791 563536299 /nfs/dbraw/zinc/53/62/99/563536299.db2.gz OPOOVEDFDNTLAZ-UYAOXDASSA-N 1 1 308.425 3.517 40 0 DHABMO Cc1ccc(OC[C@]2(O)CCC[N@H+](C3CCCC3)CC2)c(C)c1 ZINC000585280822 563541918 /nfs/dbraw/zinc/54/19/18/563541918.db2.gz ARVPZJPSMRFDDE-FQEVSTJZSA-N 1 1 317.473 3.842 40 0 DHABMO Cc1ccc(OC[C@@]2(O)CCC[N@H+](C3CCCC3)CC2)c(C)c1 ZINC000585280830 563542092 /nfs/dbraw/zinc/54/20/92/563542092.db2.gz ARVPZJPSMRFDDE-HXUWFJFHSA-N 1 1 317.473 3.842 40 0 DHABMO c1ccc(CC[N@@H+](Cc2ccncc2)Cc2ccccn2)cc1 ZINC000013990070 563547033 /nfs/dbraw/zinc/54/70/33/563547033.db2.gz XOMFMNNPTONNKO-UHFFFAOYSA-N 1 1 303.409 3.722 40 0 DHABMO COc1cc(-c2[nH+]c3ccccn3c2NC(C)(C)C)ccc1O ZINC000000411923 563608084 /nfs/dbraw/zinc/60/80/84/563608084.db2.gz VMCZBUFCIFQGCD-UHFFFAOYSA-N 1 1 311.385 3.926 40 0 DHABMO CCOc1cc(C=O)ccc1OCCC[N@H+]1CCCC[C@H]1C ZINC000008731556 563644216 /nfs/dbraw/zinc/64/42/16/563644216.db2.gz WCRUZAIOHJLYKG-OAHLLOKOSA-N 1 1 305.418 3.541 40 0 DHABMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000014983119 563675898 /nfs/dbraw/zinc/67/58/98/563675898.db2.gz YIYUGJLYGWSLLU-ZBFHGGJFSA-N 1 1 307.821 3.761 40 0 DHABMO CCc1ccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225735924 563761802 /nfs/dbraw/zinc/76/18/02/563761802.db2.gz YHDSFIKCZYUVLX-OAHLLOKOSA-N 1 1 319.518 3.657 40 0 DHABMO Cc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(-n2ccnc2)n1 ZINC000072366756 191137491 /nfs/dbraw/zinc/13/74/91/191137491.db2.gz ZCIXBNJDXNNAEG-LJQANCHMSA-N 1 1 318.424 3.913 40 0 DHABMO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000004011541 181061955 /nfs/dbraw/zinc/06/19/55/181061955.db2.gz FMTHLQDBSCILBQ-NTZUZEMLSA-N 1 1 311.510 3.557 40 0 DHABMO CCC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1)C2 ZINC000004857057 181163849 /nfs/dbraw/zinc/16/38/49/181163849.db2.gz BKPJKUIMKNLOFF-ALOPSCKCSA-N 1 1 317.502 3.769 40 0 DHABMO C[C@H]1CCCC[N@H+]1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000004968579 181181431 /nfs/dbraw/zinc/18/14/31/181181431.db2.gz HUAVVMNRDYDBOF-KRWDZBQOSA-N 1 1 322.452 3.767 40 0 DHABMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000005729927 181277790 /nfs/dbraw/zinc/27/77/90/181277790.db2.gz JYAYGACMDBQVJS-SOLBZPMBSA-N 1 1 319.489 3.987 40 0 DHABMO CC(C)Cc1ncc(-c2nccnc2[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000257321566 203044998 /nfs/dbraw/zinc/04/49/98/203044998.db2.gz WCEVAGSOBRGBTH-CYBMUJFWSA-N 1 1 316.474 3.608 40 0 DHABMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2cc(C)no2)ccc1O ZINC000019120244 182105410 /nfs/dbraw/zinc/10/54/10/182105410.db2.gz BNUNRMVRUYLRDA-OAHLLOKOSA-N 1 1 316.401 3.815 40 0 DHABMO Cc1cc(N(C)C)[nH+]cc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072218708 257124392 /nfs/dbraw/zinc/12/43/92/257124392.db2.gz RAGIZQPKTTXRSL-HNNXBMFYSA-N 1 1 319.449 3.918 40 0 DHABMO CNc1cc(C)c([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072219068 257124593 /nfs/dbraw/zinc/12/45/93/257124593.db2.gz JUJFTINGESOAIJ-AWEZNQCLSA-N 1 1 305.422 3.894 40 0 DHABMO CNc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c(C)[nH+]1 ZINC000072219137 257124635 /nfs/dbraw/zinc/12/46/35/257124635.db2.gz VBNBIFZHOUVEMM-QGZVFWFLSA-N 1 1 309.413 3.799 40 0 DHABMO C[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215368 257125981 /nfs/dbraw/zinc/12/59/81/257125981.db2.gz CYRMQZWQBXZVQE-OAHLLOKOSA-N 1 1 317.433 3.752 40 0 DHABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214498 257126000 /nfs/dbraw/zinc/12/60/00/257126000.db2.gz AFQONVVXEXFGSM-HNNXBMFYSA-N 1 1 319.449 3.998 40 0 DHABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1C ZINC000072214723 257126230 /nfs/dbraw/zinc/12/62/30/257126230.db2.gz ZYIOUUXCLLIKAQ-HNNXBMFYSA-N 1 1 319.449 4.000 40 0 DHABMO CC(C)CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220604 563430996 /nfs/dbraw/zinc/43/09/96/563430996.db2.gz HSRPEUGEXWGWCQ-INIZCTEOSA-N 1 1 322.880 3.714 40 0 DHABMO CC[N@@H+](CCCNc1cc(OC)cc2cccnc21)C(C)C ZINC000001656105 563289455 /nfs/dbraw/zinc/28/94/55/563289455.db2.gz LUBNECYPTONMSA-UHFFFAOYSA-N 1 1 301.434 3.776 40 0 DHABMO CC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)C1CCCCC1 ZINC000001760998 563295247 /nfs/dbraw/zinc/29/52/47/563295247.db2.gz YWUSNXNSHJOUST-UHFFFAOYSA-N 1 1 307.434 3.867 40 0 DHABMO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1cn(C)c2ccccc12 ZINC000012143993 563363016 /nfs/dbraw/zinc/36/30/16/563363016.db2.gz HSFDAADITFXNSR-MGPUTAFESA-N 1 1 318.424 3.539 40 0 DHABMO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1cn(C)c2ccccc12 ZINC000012143994 563363279 /nfs/dbraw/zinc/36/32/79/563363279.db2.gz HSFDAADITFXNSR-QRWLVFNGSA-N 1 1 318.424 3.539 40 0 DHABMO COc1ccc(C[N@@H+](C)C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000031912127 563441335 /nfs/dbraw/zinc/44/13/35/563441335.db2.gz QOWAEAOVVVVSBP-KRWDZBQOSA-N 1 1 305.805 3.514 40 0 DHABMO C[C@@H]1c2[nH]c3ccccc3c2CC[N@H+]1C[C@H](O)c1cccs1 ZINC000036734349 563457136 /nfs/dbraw/zinc/45/71/36/563457136.db2.gz XUVWJJQEZLOFGT-WBMJQRKESA-N 1 1 312.438 3.882 40 0 DHABMO C[C@@H]1c2[nH]c3ccccc3c2CC[N@@H+]1C[C@H](O)c1cccs1 ZINC000036734349 563457140 /nfs/dbraw/zinc/45/71/40/563457140.db2.gz XUVWJJQEZLOFGT-WBMJQRKESA-N 1 1 312.438 3.882 40 0 DHABMO C[N@H+]1CC[C@@H](NCc2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000072341605 563503724 /nfs/dbraw/zinc/50/37/24/563503724.db2.gz MSHNPNGYEYSRMB-PKOBYXMFSA-N 1 1 314.860 3.918 40 0 DHABMO Cc1ccc(C(=O)N2CCC[C@]3(CC[N@@H+]3CC(C)C)C2)c(C)c1 ZINC000585102257 563516702 /nfs/dbraw/zinc/51/67/02/563516702.db2.gz VSLLAZNIUYGVKZ-FQEVSTJZSA-N 1 1 314.473 3.640 40 0 DHABMO C[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2 ZINC000585100614 563516848 /nfs/dbraw/zinc/51/68/48/563516848.db2.gz QASWQTOAYJNRLG-KRWDZBQOSA-N 1 1 324.827 3.570 40 0 DHABMO Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H](N(C)C)[C@H]3C2)s1 ZINC000096058312 563532206 /nfs/dbraw/zinc/53/22/06/563532206.db2.gz RIHOELGKHNDUPQ-FHWLQOOXSA-N 1 1 312.482 3.888 40 0 DHABMO CO[C@@H]1CC[N@@H+](Cc2ccc(C)s2)[C@H]1Cc1ccccc1 ZINC000096061574 563532533 /nfs/dbraw/zinc/53/25/33/563532533.db2.gz QSFPSSFAKWZRGN-ZWKOTPCHSA-N 1 1 301.455 3.889 40 0 DHABMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1ccccc1 ZINC000096061658 563532702 /nfs/dbraw/zinc/53/27/02/563532702.db2.gz UNVSAPKLPDXXFD-UXHICEINSA-N 1 1 312.457 3.805 40 0 DHABMO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2)N1c1ccccc1 ZINC000096056618 563532760 /nfs/dbraw/zinc/53/27/60/563532760.db2.gz NVUCVMYGGGMDFM-RTBURBONSA-N 1 1 324.399 3.596 40 0 DHABMO CC(C)OCCC[N@@H+](Cc1cccs1)Cc1ccccn1 ZINC000013991070 563547013 /nfs/dbraw/zinc/54/70/13/563547013.db2.gz RTBLRXZGJDALMT-UHFFFAOYSA-N 1 1 304.459 3.960 40 0 DHABMO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](CCC(C)C)C2)o1 ZINC000049170025 563700913 /nfs/dbraw/zinc/70/09/13/563700913.db2.gz NKNIQZJUAULAIT-AWEZNQCLSA-N 1 1 315.417 3.581 40 0 biogenic,in-vitro DHABMO CCOc1cc(C=O)ccc1OCCCC[N@H+]1CCCC[C@H]1C ZINC000217798769 563714730 /nfs/dbraw/zinc/71/47/30/563714730.db2.gz MAPWXYHGHNHPJC-MRXNPFEDSA-N 1 1 319.445 3.931 40 0 DHABMO CC(C)[N@H+]1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257235356 563791583 /nfs/dbraw/zinc/79/15/83/563791583.db2.gz GXMHMWOCXKXXDZ-HNNXBMFYSA-N 1 1 302.393 3.992 40 0 DHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N@@H+]1CCN[C@@H]2CCC[C@H]21 ZINC000218849320 563819247 /nfs/dbraw/zinc/81/92/47/563819247.db2.gz FUJSTKVKXGEKGI-FTEYMNFISA-N 1 1 314.473 3.511 40 0 DHABMO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[N@H+]1CCN[C@@H]2CCC[C@H]21 ZINC000218849320 563819251 /nfs/dbraw/zinc/81/92/51/563819251.db2.gz FUJSTKVKXGEKGI-FTEYMNFISA-N 1 1 314.473 3.511 40 0 DHABMO CC[N@H+]1CCC[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000000057474 563820281 /nfs/dbraw/zinc/82/02/81/563820281.db2.gz KTHVBAZBLKXIHZ-LJQANCHMSA-N 1 1 323.436 3.846 40 0 in-man DHABMO CN1C(=O)CCCC[C@H]2[N@@H+](Cc3ccccc3Cl)CC[C@]21C ZINC000019713755 563922809 /nfs/dbraw/zinc/92/28/09/563922809.db2.gz MPTKDMXRPPCRBT-SJLPKXTDSA-N 1 1 320.864 3.705 40 0 DHABMO CC(C)[N@H+]1C[C@H](CCO)C(c2ccccc2)(c2ccccc2)C1 ZINC000001569147 568412306 /nfs/dbraw/zinc/41/23/06/568412306.db2.gz XZTJWVOZRVENMA-FQEVSTJZSA-N 1 1 309.453 3.695 40 0 DHABMO CCCC[C@@H](C(=O)c1ccc(OC)c(OC)c1)[NH+]1CCCC1 ZINC000299817180 1020525555 /nfs/dbraw/zinc/52/55/55/1020525555.db2.gz KAWWDIAYCGMAPE-HNNXBMFYSA-N 1 1 305.418 3.541 40 0 in-vitro DHABMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nc(-c2cccnc2Cl)no1 ZINC000013992544 1022009483 /nfs/dbraw/zinc/00/94/83/1022009483.db2.gz PNQYUOZSVJQINS-PHIMTYICSA-N 1 1 306.797 3.548 40 0 DHABMO Cc1cc(C)nc([C@@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)n1 ZINC000072369683 191140002 /nfs/dbraw/zinc/14/00/02/191140002.db2.gz OOXUUHKKYCPNNK-GOSISDBHSA-N 1 1 318.424 3.631 40 0 DHABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000072379134 191141642 /nfs/dbraw/zinc/14/16/42/191141642.db2.gz LCAFLKJYMQACOZ-MRXNPFEDSA-N 1 1 324.472 3.952 40 0 DHABMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccco2)[C@H]1Cc1ccccc1 ZINC000096061656 193513583 /nfs/dbraw/zinc/51/35/83/193513583.db2.gz OEYBVMNIVDWPJA-UXHICEINSA-N 1 1 312.457 3.805 40 0 DHABMO COc1cc(C[N@H+]2CCCCC[C@H]2c2cc(C)no2)ccc1O ZINC000019120247 182105134 /nfs/dbraw/zinc/10/51/34/182105134.db2.gz BNUNRMVRUYLRDA-HNNXBMFYSA-N 1 1 316.401 3.815 40 0 DHABMO Cc1c2ccccn2c(C[NH+]2CCN(C)CC2)c1-c1ccccc1 ZINC000019681889 182136671 /nfs/dbraw/zinc/13/66/71/182136671.db2.gz DSPJQDCDDXBRNP-UHFFFAOYSA-N 1 1 319.452 3.662 40 0 DHABMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000019583823 182132389 /nfs/dbraw/zinc/13/23/89/182132389.db2.gz DJSIWXHDFNKWOY-GOSISDBHSA-N 1 1 320.440 3.656 40 0 DHABMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000038834220 183010973 /nfs/dbraw/zinc/01/09/73/183010973.db2.gz KCRGJJJZWIXVLT-KRWDZBQOSA-N 1 1 324.424 3.546 40 0 DHABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000038834219 183011075 /nfs/dbraw/zinc/01/10/75/183011075.db2.gz KCRGJJJZWIXVLT-QGZVFWFLSA-N 1 1 324.424 3.546 40 0 DHABMO CC[N@@H+](C[C@H](O)COc1ccccc1Cl)C1CCCCC1 ZINC000006325613 563332201 /nfs/dbraw/zinc/33/22/01/563332201.db2.gz GOAMOCOXJKKHLJ-HNNXBMFYSA-N 1 1 311.853 3.734 40 0 DHABMO COc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2cccnc2)cc1 ZINC000012085385 563361591 /nfs/dbraw/zinc/36/15/91/563361591.db2.gz AWCDBPOHAKXSBK-SQGPQFPESA-N 1 1 324.424 3.522 40 0 DHABMO c1ccc2c(c1)-c1nc3ccccc3cc1[C@H]2[NH+]1CCOCC1 ZINC000031637929 563440316 /nfs/dbraw/zinc/44/03/16/563440316.db2.gz GCVZMKPZSVQVNL-FQEVSTJZSA-N 1 1 302.377 3.637 40 0 in-vitro DHABMO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccoc1 ZINC000036740363 563457266 /nfs/dbraw/zinc/45/72/66/563457266.db2.gz RBUROPPODRUGQK-UHFFFAOYSA-N 1 1 313.376 3.708 40 0 DHABMO Fc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccoc1 ZINC000036740363 563457269 /nfs/dbraw/zinc/45/72/69/563457269.db2.gz RBUROPPODRUGQK-UHFFFAOYSA-N 1 1 313.376 3.708 40 0 DHABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COc2ccccc2C(C)(C)C)C1 ZINC000012170269 563480262 /nfs/dbraw/zinc/48/02/62/563480262.db2.gz VMQLBGCPIVMCQJ-IXDOHACOSA-N 1 1 319.489 3.702 40 0 DHABMO Cc1nc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccoc4)C[C@H]3O2)sc1C ZINC000096046308 563532074 /nfs/dbraw/zinc/53/20/74/563532074.db2.gz KRWNDGNDVJNABQ-HRCADAONSA-N 1 1 318.442 3.705 40 0 DHABMO Cc1nc([C@@H]2C[C@@H]3CC[N@@H+](Cc4ccoc4)C[C@H]3O2)sc1C ZINC000096046308 563532076 /nfs/dbraw/zinc/53/20/76/563532076.db2.gz KRWNDGNDVJNABQ-HRCADAONSA-N 1 1 318.442 3.705 40 0 DHABMO c1cc(CN2CC3(C2)CC[N@@H+](Cc2ccsc2)C3)cs1 ZINC000096046482 563532352 /nfs/dbraw/zinc/53/23/52/563532352.db2.gz SIGINFWLOWLZFR-UHFFFAOYSA-N 1 1 304.484 3.518 40 0 DHABMO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccsc2)N1c1ccccc1 ZINC000096056615 563532456 /nfs/dbraw/zinc/53/24/56/563532456.db2.gz JQNYKFFYIBZMMY-IAGOWNOFSA-N 1 1 312.438 3.518 40 0 DHABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096058325 563532644 /nfs/dbraw/zinc/53/26/44/563532644.db2.gz YNTUNVVOQDZLPY-ACRUOGEOSA-N 1 1 321.468 3.692 40 0 DHABMO c1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000049169281 563701212 /nfs/dbraw/zinc/70/12/12/563701212.db2.gz KOJJEGRQCQNLBA-KRWDZBQOSA-N 1 1 305.381 3.726 40 0 biogenic,in-vitro DHABMO CN1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3cccs3)C[C@@H]12 ZINC000248084139 563782742 /nfs/dbraw/zinc/78/27/42/563782742.db2.gz AXBXJEBMMWIAMQ-MOPGFXCFSA-N 1 1 312.482 3.596 40 0 DHABMO C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3cccs3)C[C@@H]12 ZINC000248084139 563782745 /nfs/dbraw/zinc/78/27/45/563782745.db2.gz AXBXJEBMMWIAMQ-MOPGFXCFSA-N 1 1 312.482 3.596 40 0 DHABMO C[N@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3cccs3)C[C@@H]12 ZINC000248084139 563782749 /nfs/dbraw/zinc/78/27/49/563782749.db2.gz AXBXJEBMMWIAMQ-MOPGFXCFSA-N 1 1 312.482 3.596 40 0 DHABMO Cc1nc(NC2CC2)cc(N2CCc3cc(Cl)ccc3C2)[nH+]1 ZINC000328982786 563832654 /nfs/dbraw/zinc/83/26/54/563832654.db2.gz HCGREAFHHROPRA-UHFFFAOYSA-N 1 1 314.820 3.575 40 0 DHABMO CNc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]c(C2CC2)n1 ZINC000328971688 563832784 /nfs/dbraw/zinc/83/27/84/563832784.db2.gz DSKCKMUVBZFFAS-UHFFFAOYSA-N 1 1 308.429 3.694 40 0 DHABMO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[N@@H+]1CCC[C@H](C)C1 ZINC000216864875 563857229 /nfs/dbraw/zinc/85/72/29/563857229.db2.gz GJTZWPDMGLNXPE-LBPRGKRZSA-N 1 1 303.450 3.798 40 0 DHABMO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[N@H+]1CCC[C@H](C)C1 ZINC000216864875 563857231 /nfs/dbraw/zinc/85/72/31/563857231.db2.gz GJTZWPDMGLNXPE-LBPRGKRZSA-N 1 1 303.450 3.798 40 0 DHABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)nc2c1 ZINC000035446794 563867227 /nfs/dbraw/zinc/86/72/27/563867227.db2.gz VZNVEPRUQCMHSW-INIZCTEOSA-N 1 1 321.424 3.869 40 0 biogenic,in-vitro DHABMO COc1ccc2nc([C@H]3CC[N@H+](Cc4ccc(C)cc4)C3)[nH]c2c1 ZINC000035446794 563867232 /nfs/dbraw/zinc/86/72/32/563867232.db2.gz VZNVEPRUQCMHSW-INIZCTEOSA-N 1 1 321.424 3.869 40 0 biogenic,in-vitro DHABMO COc1ccc2nc([C@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)[nH]c2c1 ZINC000035446794 563867235 /nfs/dbraw/zinc/86/72/35/563867235.db2.gz VZNVEPRUQCMHSW-INIZCTEOSA-N 1 1 321.424 3.869 40 0 biogenic,in-vitro DHABMO Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1N ZINC000218867968 563945448 /nfs/dbraw/zinc/94/54/48/563945448.db2.gz DIKKZBGQGPTGNT-FAJBIJEISA-N 1 1 302.462 3.545 40 0 DHABMO CCCCC[C@H](C(=O)c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000299817082 1023306061 /nfs/dbraw/zinc/30/60/61/1023306061.db2.gz APQUWEZHVKBPTI-OAHLLOKOSA-N 1 1 303.402 3.643 40 0 in-vitro DHABMO C[C@H](c1ccccn1)[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000072203935 191076152 /nfs/dbraw/zinc/07/61/52/191076152.db2.gz AZUVUIZQXCYECR-HUUCEWRRSA-N 1 1 319.449 3.522 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccccc1 ZINC000225579893 186279831 /nfs/dbraw/zinc/27/98/31/186279831.db2.gz QTBIZHCIPOCXGR-INIZCTEOSA-N 1 1 305.491 3.628 40 0 DHABMO c1cn(-c2cccc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)cn1 ZINC000072355455 191128955 /nfs/dbraw/zinc/12/89/55/191128955.db2.gz LWRXQJMDJMUFGO-GOSISDBHSA-N 1 1 304.397 3.604 40 0 DHABMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(-n3ccnc3)n2)o1 ZINC000072366755 191136739 /nfs/dbraw/zinc/13/67/39/191136739.db2.gz NTYRXICVRXATBU-KRWDZBQOSA-N 1 1 308.385 3.506 40 0 DHABMO C[C@H](C[N@@H+](C)Cc1ccccc1)OC(=O)c1cccc(F)c1 ZINC000003314827 181003462 /nfs/dbraw/zinc/00/34/62/181003462.db2.gz SWTLROFEBUFYHZ-CQSZACIVSA-N 1 1 301.361 3.503 40 0 DHABMO CCCCOc1ccc(C(=O)O[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000003902194 181055079 /nfs/dbraw/zinc/05/50/79/181055079.db2.gz RIKXLROQYQSOHV-MPGHIAIKSA-N 1 1 319.445 3.751 40 0 DHABMO CC[C@H](C)c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000006356052 181333974 /nfs/dbraw/zinc/33/39/74/181333974.db2.gz XPSYBIYXGAGNCI-YESZJQIVSA-N 1 1 305.462 3.814 40 0 DHABMO CC[C@@H](C)C[N@H+]1CCc2c(c3c(c(OC)c2OC)CCC3)C1 ZINC000006411713 181339115 /nfs/dbraw/zinc/33/91/15/181339115.db2.gz SHQNLVNFWJVLHR-CYBMUJFWSA-N 1 1 303.446 3.597 40 0 DHABMO Cc1cncc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccccc2)n1 ZINC000257299949 203025318 /nfs/dbraw/zinc/02/53/18/203025318.db2.gz RSHFJBYLFOPZSP-SFHVURJKSA-N 1 1 319.412 3.512 40 0 DHABMO Cc1cn(C)c([C@H]2CCC[N@@H+]2Cc2ccc3ccccc3n2)n1 ZINC000257318205 203043968 /nfs/dbraw/zinc/04/39/68/203043968.db2.gz VMYPTLYXPSPYRP-GOSISDBHSA-N 1 1 306.413 3.614 40 0 DHABMO Cc1cn(C)c([C@H]2CCC[N@H+]2Cc2ccc3ccccc3n2)n1 ZINC000257318205 203043970 /nfs/dbraw/zinc/04/39/70/203043970.db2.gz VMYPTLYXPSPYRP-GOSISDBHSA-N 1 1 306.413 3.614 40 0 DHABMO CC(C)n1nccc1-c1ccc(C[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000257341755 203064911 /nfs/dbraw/zinc/06/49/11/203064911.db2.gz ZLVYMUJCSCONOQ-QGZVFWFLSA-N 1 1 312.461 3.799 40 0 DHABMO CC(C)n1nccc1-c1ccc(C[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000257341754 203065894 /nfs/dbraw/zinc/06/58/94/203065894.db2.gz ZLVYMUJCSCONOQ-KRWDZBQOSA-N 1 1 312.461 3.799 40 0 DHABMO CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)on2)c(C)n1 ZINC000019524548 182128389 /nfs/dbraw/zinc/12/83/89/182128389.db2.gz KTKXNONDYYRDGG-QGZVFWFLSA-N 1 1 302.422 3.625 40 0 DHABMO CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(C)on2)c(C)n1 ZINC000019524548 182128391 /nfs/dbraw/zinc/12/83/91/182128391.db2.gz KTKXNONDYYRDGG-QGZVFWFLSA-N 1 1 302.422 3.625 40 0 DHABMO Cc1nc2sccn2c1C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000019555081 182130089 /nfs/dbraw/zinc/13/00/89/182130089.db2.gz MKQAJKDRMLZDOA-NSHDSACASA-N 1 1 303.456 3.885 40 0 DHABMO Cc1nc2sccn2c1C[N@H+]1CCc2sccc2[C@@H]1C ZINC000019555081 182130091 /nfs/dbraw/zinc/13/00/91/182130091.db2.gz MKQAJKDRMLZDOA-NSHDSACASA-N 1 1 303.456 3.885 40 0 DHABMO CN(C)c1ncc(C[N@H+]2CCCC[C@@H]2CCc2ccccc2)cn1 ZINC000019585525 182132469 /nfs/dbraw/zinc/13/24/69/182132469.db2.gz XLYXVIUTSXOFJR-LJQANCHMSA-N 1 1 324.472 3.530 40 0 DHABMO CCOC(=O)N1CC[NH2+][C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000022115390 182309313 /nfs/dbraw/zinc/30/93/13/182309313.db2.gz IHGUOBVQHSJQOW-QZTJIDSGSA-N 1 1 310.397 3.531 40 0 DHABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccccc1)Cc1ccncc1 ZINC000023247750 182354898 /nfs/dbraw/zinc/35/48/98/182354898.db2.gz KKELUAQJFRRDDP-FQEVSTJZSA-N 1 1 309.457 3.568 40 0 DHABMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000038833211 183011134 /nfs/dbraw/zinc/01/11/34/183011134.db2.gz NFAMFWNPWBXNNM-GOSISDBHSA-N 1 1 308.425 3.846 40 0 DHABMO COc1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c1 ZINC000038834208 183011380 /nfs/dbraw/zinc/01/13/80/183011380.db2.gz QYNPDSGGOPHOGA-UHFFFAOYSA-N 1 1 321.380 3.501 40 0 DHABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2 ZINC000000033131 563211234 /nfs/dbraw/zinc/21/12/34/563211234.db2.gz MNJNPLVXBISNSX-PBWFPOADSA-N 1 1 314.212 3.775 40 0 in-man DHABMO c1ccc2c(c1)Cc1c-2[nH+]c2ccccc2c1N1CCOCC1 ZINC000001578744 563285671 /nfs/dbraw/zinc/28/56/71/563285671.db2.gz QUWSPHYPUUGZOZ-UHFFFAOYSA-N 1 1 302.377 3.643 40 0 DHABMO CCCCOc1ccc(C[C@H](O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000001597146 563286755 /nfs/dbraw/zinc/28/67/55/563286755.db2.gz CAYFNLUNTXBSSB-WMZOPIPTSA-N 1 1 305.462 3.643 40 0 DHABMO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1ccnc2ccccc12 ZINC000012143990 563363314 /nfs/dbraw/zinc/36/33/14/563363314.db2.gz JFJSCFXWVWMKMH-QRWLVFNGSA-N 1 1 316.408 3.595 40 0 DHABMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000012417720 563424529 /nfs/dbraw/zinc/42/45/29/563424529.db2.gz JYAYGACMDBQVJS-JZXOWHBKSA-N 1 1 319.489 3.987 40 0 DHABMO C[C@@H]1C[C@H](OC[C@H](O)C[N@@H+](C)C2CCCCC2)CC(C)(C)C1 ZINC000037530287 563457830 /nfs/dbraw/zinc/45/78/30/563457830.db2.gz SVDPJYRFEFQLLO-NXHRZFHOSA-N 1 1 311.510 3.843 40 0 DHABMO Cc1cc[nH+]c(NCc2cccc(I)c2)c1 ZINC000199714389 563516159 /nfs/dbraw/zinc/51/61/59/563516159.db2.gz JYCBKLDCLMXOFD-UHFFFAOYSA-N 1 1 324.165 3.607 40 0 DHABMO COc1ccc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC000096049300 563532185 /nfs/dbraw/zinc/53/21/85/563532185.db2.gz KMKXMLDEYXJRKW-UHFFFAOYSA-N 1 1 314.473 3.536 40 0 DHABMO c1coc(C[N@@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c1 ZINC000096061583 563532340 /nfs/dbraw/zinc/53/23/40/563532340.db2.gz LJFIOMAENHKCML-VQTJNVASSA-N 1 1 311.425 3.892 40 0 DHABMO CCCC(=O)N1CCC2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000096075313 563533294 /nfs/dbraw/zinc/53/32/94/563533294.db2.gz HRFGEFXKHNCNSV-UHFFFAOYSA-N 1 1 318.436 3.583 40 0 DHABMO Cc1ccsc1C[N@H+](Cc1ccc(F)cc1F)C[C@H](C)O ZINC000013991530 563547024 /nfs/dbraw/zinc/54/70/24/563547024.db2.gz PWAQZDYLJWOMTN-LBPRGKRZSA-N 1 1 311.397 3.718 40 0 DHABMO Cc1ccsc1C[N@@H+](Cc1ccc(F)cc1F)C[C@H](C)O ZINC000013991530 563547026 /nfs/dbraw/zinc/54/70/26/563547026.db2.gz PWAQZDYLJWOMTN-LBPRGKRZSA-N 1 1 311.397 3.718 40 0 DHABMO c1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)cs1 ZINC000107751972 563567139 /nfs/dbraw/zinc/56/71/39/563567139.db2.gz WMUHCITWGNZEDZ-ROUUACIJSA-N 1 1 321.486 3.546 40 0 DHABMO O[C@H](C[N@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000001600852 563633940 /nfs/dbraw/zinc/63/39/40/563633940.db2.gz LVJSAEQFGSKBLO-OAQYLSRUSA-N 1 1 303.405 3.932 40 0 DHABMO CC(C)n1nccc1-c1cc(C[C@H]2CC[N@H+](C(C)C)C2)ccn1 ZINC000257325299 563792420 /nfs/dbraw/zinc/79/24/20/563792420.db2.gz WSIKFYVOQGZJCX-QGZVFWFLSA-N 1 1 312.461 3.799 40 0 DHABMO Cc1c[nH]c([C@@H]2C[N@H+](Cc3cc4ccccc4s3)CCO2)n1 ZINC000257333593 563793094 /nfs/dbraw/zinc/79/30/94/563793094.db2.gz YCFRQBXHLLHOSL-HNNXBMFYSA-N 1 1 313.426 3.506 40 0 DHABMO Cc1c[nH]c([C@@H]2C[N@@H+](Cc3cc4ccccc4s3)CCO2)n1 ZINC000257333593 563793097 /nfs/dbraw/zinc/79/30/97/563793097.db2.gz YCFRQBXHLLHOSL-HNNXBMFYSA-N 1 1 313.426 3.506 40 0 DHABMO CNc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C(C)C)n1 ZINC000328966956 563832676 /nfs/dbraw/zinc/83/26/76/563832676.db2.gz CPNYWKYUIURXFG-UHFFFAOYSA-N 1 1 310.445 3.983 40 0 DHABMO CC[N@@H+](C)[C@@H]1CN(C(=O)c2ccccc2)C2(C1)CCCCC2 ZINC000019704914 563930559 /nfs/dbraw/zinc/93/05/59/563930559.db2.gz IRAJNVRXTZLCIM-KRWDZBQOSA-N 1 1 300.446 3.556 40 0 DHABMO CC[C@H](C)Nc1nc(N2CCc3ccccc3C2)cc(C2CC2)[nH+]1 ZINC000329003367 563960332 /nfs/dbraw/zinc/96/03/32/563960332.db2.gz KLVHWQTXSHDDDU-AWEZNQCLSA-N 1 1 322.456 4.127 40 0 DHABMO c1nc([C@@H]2CCC[N@@H+]2CC2CC2)c2ccc(-c3cccnc3)cn12 ZINC000306144876 231092605 /nfs/dbraw/zinc/09/26/05/231092605.db2.gz ZREWWLONGKQZMM-SFHVURJKSA-N 1 1 318.424 3.943 40 0 DHABMO C[C@@H]1c2ccccc2CCN1c1cc[nH+]c(NC2CCCC2)n1 ZINC000328959488 231398905 /nfs/dbraw/zinc/39/89/05/231398905.db2.gz AUQBUPTUUHUGNQ-CQSZACIVSA-N 1 1 308.429 3.955 40 0 DHABMO CC(C)[N@H+]1CCC[C@H](Cc2cncc(Br)c2)CC1 ZINC000072366096 191135459 /nfs/dbraw/zinc/13/54/59/191135459.db2.gz QLPJJMVBBPFKRH-ZDUSSCGKSA-N 1 1 311.267 3.897 40 0 DHABMO CCN(Cc1ccccc1)C(=O)c1cc([C@@H]2CCC[N@H+]2C)ccn1 ZINC000072369299 191139263 /nfs/dbraw/zinc/13/92/63/191139263.db2.gz MJRRCOUMNBXSSV-IBGZPJMESA-N 1 1 323.440 3.511 40 0 DHABMO C[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2C2CCOCC2)C1 ZINC000072394987 191149688 /nfs/dbraw/zinc/14/96/88/191149688.db2.gz LWZTVQRWNSRHCH-AWEZNQCLSA-N 1 1 313.445 3.689 40 0 DHABMO Cc1ccnc([C@@]2(C)CCC[N@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000072388528 191146025 /nfs/dbraw/zinc/14/60/25/191146025.db2.gz YLVCMDUYPFMMHV-LJQANCHMSA-N 1 1 306.413 3.778 40 0 DHABMO C[C@@H]1CCC[N@@H+](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000003564626 181035365 /nfs/dbraw/zinc/03/53/65/181035365.db2.gz FXLKDKLLSAGXGV-QGZVFWFLSA-N 1 1 322.452 3.624 40 0 DHABMO C[N@H+]1CCC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000005029545 181193227 /nfs/dbraw/zinc/19/32/27/181193227.db2.gz BSKUDKXKAISNDJ-LFAQGZIKSA-N 1 1 301.474 3.914 40 0 DHABMO Fc1cccc(Cc2cnc([C@H]3CCC[N@@H+](CC4CC4)C3)o2)c1 ZINC000257275805 203004146 /nfs/dbraw/zinc/00/41/46/203004146.db2.gz NQYRBWBRRFDEMP-INIZCTEOSA-N 1 1 314.404 3.994 40 0 DHABMO CCCCCC(=O)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2CC1CC1 ZINC000257299081 203022512 /nfs/dbraw/zinc/02/25/12/203022512.db2.gz RORHTAPRWLBERA-QZTJIDSGSA-N 1 1 306.494 3.822 40 0 DHABMO CCn1cc(C[N@H+]2CCCCC[C@H]2c2cc(C)no2)c(C)n1 ZINC000019524543 182128685 /nfs/dbraw/zinc/12/86/85/182128685.db2.gz CIYNPUNMHSDXSO-INIZCTEOSA-N 1 1 302.422 3.625 40 0 DHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CCCCC3)cc2)C1 ZINC000038832573 183011347 /nfs/dbraw/zinc/01/13/47/183011347.db2.gz ILMRSYDPMRVVEF-MRXNPFEDSA-N 1 1 314.473 3.981 40 0 DHABMO Cc1ccc(C)c(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000044080838 183394389 /nfs/dbraw/zinc/39/43/89/183394389.db2.gz KTEUWZDFLMRPAA-OAHLLOKOSA-N 1 1 319.518 3.712 40 0 DHABMO Cc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072227490 257122287 /nfs/dbraw/zinc/12/22/87/257122287.db2.gz NLNQEDWLVOPSES-LSDHHAIUSA-N 1 1 321.207 3.717 40 0 DHABMO CCc1[nH+]ccn1CCCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000010313805 257218034 /nfs/dbraw/zinc/21/80/34/257218034.db2.gz RIXLTUZEOVENPU-UHFFFAOYSA-N 1 1 313.445 3.563 40 0 DHABMO C[N@H+]1CC[C@H](NCc2ccccc2Cl)[C@@H](c2ccccc2)C1 ZINC000248129383 341373674 /nfs/dbraw/zinc/37/36/74/341373674.db2.gz MSHNPNGYEYSRMB-MJGOQNOKSA-N 1 1 314.860 3.918 40 0 DHABMO CN1CC[C@H]([NH2+]Cc2ccccc2Cl)[C@@H](c2ccccc2)C1 ZINC000248129383 341373675 /nfs/dbraw/zinc/37/36/75/341373675.db2.gz MSHNPNGYEYSRMB-MJGOQNOKSA-N 1 1 314.860 3.918 40 0 DHABMO CC[C@H](C)Nc1nc(N2CCc3cc(Cl)ccc3C2)cc[nH+]1 ZINC000328955332 529183440 /nfs/dbraw/zinc/18/34/40/529183440.db2.gz ABVFHRCQHQTLAI-LBPRGKRZSA-N 1 1 316.836 3.903 40 0 DHABMO COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2ccccn2)c1 ZINC000012085291 563362008 /nfs/dbraw/zinc/36/20/08/563362008.db2.gz YBKLQPLDFPGHIL-VPWXQRGCSA-N 1 1 324.424 3.522 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(Cl)c1 ZINC000013672673 563385521 /nfs/dbraw/zinc/38/55/21/563385521.db2.gz CENAUFREANMIOP-MRXNPFEDSA-N 1 1 308.853 3.724 40 0 DHABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000036655887 563457500 /nfs/dbraw/zinc/45/75/00/563457500.db2.gz HDWDFQCOCPBEAT-JZXOWHBKSA-N 1 1 319.489 3.702 40 0 DHABMO Cc1ccc(CN2CC3(C2)CC[N@@H+](Cc2ccsc2)C3)s1 ZINC000096046485 563532020 /nfs/dbraw/zinc/53/20/20/563532020.db2.gz CGQMNQWHHLCTTQ-UHFFFAOYSA-N 1 1 318.511 3.826 40 0 DHABMO Cc1ccc(C[NH+]2CC3(C2)CCN(Cc2ccsc2)C3)s1 ZINC000096046485 563532021 /nfs/dbraw/zinc/53/20/21/563532021.db2.gz CGQMNQWHHLCTTQ-UHFFFAOYSA-N 1 1 318.511 3.826 40 0 DHABMO Cc1ccc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)s1 ZINC000096049298 563532031 /nfs/dbraw/zinc/53/20/31/563532031.db2.gz GOLSMGIQDGHKTG-UHFFFAOYSA-N 1 1 304.503 3.897 40 0 DHABMO CN(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000096058313 563532551 /nfs/dbraw/zinc/53/25/51/563532551.db2.gz GVWQHTDXXGHFEL-UFYCRDLUSA-N 1 1 310.416 3.658 40 0 DHABMO CN(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000096058313 563532552 /nfs/dbraw/zinc/53/25/52/563532552.db2.gz GVWQHTDXXGHFEL-UFYCRDLUSA-N 1 1 310.416 3.658 40 0 DHABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccsc3)CC2)N1CC1CC1 ZINC000096217936 563535227 /nfs/dbraw/zinc/53/52/27/563535227.db2.gz QAAVJNUUGXNUHR-GOSISDBHSA-N 1 1 318.486 3.505 40 0 DHABMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(c4ccccc4)C3)C2)n1 ZINC000096216160 563535351 /nfs/dbraw/zinc/53/53/51/563535351.db2.gz VNIQHNWPWJGHLI-OAQYLSRUSA-N 1 1 321.468 3.883 40 0 DHABMO c1csc(C[N@H+]2CC[C@]3(C2)CCCN(c2ccccn2)C3)c1 ZINC000096216623 563535574 /nfs/dbraw/zinc/53/55/74/563535574.db2.gz FNNJLNSPGQIVNU-SFHVURJKSA-N 1 1 313.470 3.636 40 0 DHABMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)o1 ZINC000049169338 563700878 /nfs/dbraw/zinc/70/08/78/563700878.db2.gz JWXTWMQTVOTBJE-HNNXBMFYSA-N 1 1 309.369 3.628 40 0 biogenic,in-vitro DHABMO Cc1cc(N)c(NC(=O)C(C)C)cc1[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000216865374 563711972 /nfs/dbraw/zinc/71/19/72/563711972.db2.gz MJLXAJHXTJAJPX-BETUJISGSA-N 1 1 303.450 3.654 40 0 DHABMO Cc1cc(N)c(NC(=O)C(C)C)cc1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000216865374 563711976 /nfs/dbraw/zinc/71/19/76/563711976.db2.gz MJLXAJHXTJAJPX-BETUJISGSA-N 1 1 303.450 3.654 40 0 DHABMO CN(C)c1cccc(CC[C@H]2CCCC[N@H+]2Cc2ccccn2)n1 ZINC000257214190 563790987 /nfs/dbraw/zinc/79/09/87/563790987.db2.gz CKYNWFZOXLBBJJ-LJQANCHMSA-N 1 1 324.472 3.530 40 0 DHABMO Cc1cccc(C[N@@H+](C)Cc2cnc([C@H]3CCCCO3)nc2)c1 ZINC000257245253 563791899 /nfs/dbraw/zinc/79/18/99/563791899.db2.gz IORKXOJNPBFPLZ-GOSISDBHSA-N 1 1 311.429 3.659 40 0 DHABMO Cc1cccc(C[N@H+](C)Cc2cnc([C@H]3CCCCO3)nc2)c1 ZINC000257245253 563791902 /nfs/dbraw/zinc/79/19/02/563791902.db2.gz IORKXOJNPBFPLZ-GOSISDBHSA-N 1 1 311.429 3.659 40 0 DHABMO CCCn1nccc1-c1ccc(C[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000257267050 563792255 /nfs/dbraw/zinc/79/22/55/563792255.db2.gz MFTGGDYXLHGJHC-KRWDZBQOSA-N 1 1 312.461 3.628 40 0 DHABMO CC(C)n1cc(-c2nccnc2[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000257333881 563793083 /nfs/dbraw/zinc/79/30/83/563793083.db2.gz YDMRWYPDLRTTQK-OAHLLOKOSA-N 1 1 313.449 3.509 40 0 DHABMO CNc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]c(C(C)C)n1 ZINC000328977676 563832640 /nfs/dbraw/zinc/83/26/40/563832640.db2.gz FUOWMSMQSKPSKL-UHFFFAOYSA-N 1 1 316.836 3.858 40 0 DHABMO C[C@H]1Cc2ccccc2CN1c1cc[nH+]c(NC2CCCC2)n1 ZINC000328979619 563832669 /nfs/dbraw/zinc/83/26/69/563832669.db2.gz GHWUWYPMSNHQQT-AWEZNQCLSA-N 1 1 308.429 3.782 40 0 DHABMO Cc1cc(C)c(OC[C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1 ZINC000026781062 563873632 /nfs/dbraw/zinc/87/36/32/563873632.db2.gz XSNHSRSRUZLJLL-FGTMMUONSA-N 1 1 305.462 3.614 40 0 DHABMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000044790128 563923140 /nfs/dbraw/zinc/92/31/40/563923140.db2.gz GYPZEYWXRZTKMK-ZBFHGGJFSA-N 1 1 322.880 3.857 40 0 DHABMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000044790131 563923220 /nfs/dbraw/zinc/92/32/20/563923220.db2.gz GYPZEYWXRZTKMK-HOCLYGCPSA-N 1 1 322.880 3.857 40 0 DHABMO Cc1cc(-c2noc([C@H](C)[NH3+])n2)cc(C)c1OCc1ccccc1 ZINC000095095359 563930857 /nfs/dbraw/zinc/93/08/57/563930857.db2.gz RBQJKJNFAKBWEA-AWEZNQCLSA-N 1 1 323.396 3.952 40 0 DHABMO C[C@@H](c1ccccn1)[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000245204432 1024641736 /nfs/dbraw/zinc/64/17/36/1024641736.db2.gz AZUVUIZQXCYECR-GJZGRUSLSA-N 1 1 319.449 3.522 40 0 DHABMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000095642739 185383059 /nfs/dbraw/zinc/38/30/59/185383059.db2.gz XFKIFDHXCLAUQA-QGZVFWFLSA-N 1 1 318.461 3.764 40 0 DHABMO c1csc([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1 ZINC000092788602 185341622 /nfs/dbraw/zinc/34/16/22/185341622.db2.gz UYYYEWGRXNOJRQ-HNNXBMFYSA-N 1 1 324.453 3.913 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1cccc(F)c1 ZINC000225581875 186279858 /nfs/dbraw/zinc/27/98/58/186279858.db2.gz QIGAXFCSFPAUJW-INIZCTEOSA-N 1 1 323.481 3.767 40 0 DHABMO C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358370 191130261 /nfs/dbraw/zinc/13/02/61/191130261.db2.gz AIOIUVPPLNEVHV-ZDUSSCGKSA-N 1 1 321.346 3.972 40 0 DHABMO C[C@@H](C[N@@H+](C)Cc1ccccc1)OC(=O)c1cccc(F)c1 ZINC000003314825 181003357 /nfs/dbraw/zinc/00/33/57/181003357.db2.gz SWTLROFEBUFYHZ-AWEZNQCLSA-N 1 1 301.361 3.503 40 0 DHABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000004183207 181082269 /nfs/dbraw/zinc/08/22/69/181082269.db2.gz SLJQCXKWMCDIOX-UYTYNIKBSA-N 1 1 311.510 3.557 40 0 DHABMO Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC000004886568 181168049 /nfs/dbraw/zinc/16/80/49/181168049.db2.gz FVUAYRMFYZPYOW-AYHJJNSGSA-N 1 1 314.473 3.766 40 0 DHABMO C[N@H+]1CCC[C@@H]2C3=CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000005029549 181193267 /nfs/dbraw/zinc/19/32/67/181193267.db2.gz BSKUDKXKAISNDJ-HKUYMTLNSA-N 1 1 301.474 3.914 40 0 DHABMO CC[C@H](C)c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C)C1 ZINC000006356053 181333748 /nfs/dbraw/zinc/33/37/48/181333748.db2.gz JHQZQXQDMVUSSM-YESZJQIVSA-N 1 1 305.462 3.672 40 0 DHABMO CCNc1cc([C@H]2CCC[N@H+]2Cc2ccc(C)cc2)nc(C)n1 ZINC000257323052 203048401 /nfs/dbraw/zinc/04/84/01/203048401.db2.gz WIOOWTLQRMPCDM-GOSISDBHSA-N 1 1 310.445 3.862 40 0 DHABMO CCCCCC(=O)N1CC[C@@H]2[C@H](C1)CCCC[N@H+]2CC1CC1 ZINC000257338046 203060408 /nfs/dbraw/zinc/06/04/08/203060408.db2.gz YVOLPQLQMQPNPE-ZWKOTPCHSA-N 1 1 306.494 3.680 40 0 DHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1ccccn1 ZINC000019527165 182128277 /nfs/dbraw/zinc/12/82/77/182128277.db2.gz LPJQELOSUQXACF-QGZVFWFLSA-N 1 1 315.486 3.630 40 0 DHABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1ccccn1 ZINC000019527166 182128605 /nfs/dbraw/zinc/12/86/05/182128605.db2.gz LPJQELOSUQXACF-KRWDZBQOSA-N 1 1 315.486 3.630 40 0 DHABMO CCn1ncc(C[N@@H+]2CCCCC[C@H]2c2cc(C)on2)c1C ZINC000019523957 182128709 /nfs/dbraw/zinc/12/87/09/182128709.db2.gz OEZWWMATZITGOW-KRWDZBQOSA-N 1 1 302.422 3.625 40 0 DHABMO CCn1ncc(C[N@H+]2CCCCC[C@H]2c2cc(C)on2)c1C ZINC000019523957 182128711 /nfs/dbraw/zinc/12/87/11/182128711.db2.gz OEZWWMATZITGOW-KRWDZBQOSA-N 1 1 302.422 3.625 40 0 DHABMO Cc1c(C[N@H+]2C[C@H](c3ccccc3)C3(CCCC3)C2)cnn1C ZINC000019553557 182129114 /nfs/dbraw/zinc/12/91/14/182129114.db2.gz SBOHZZCBOXKCGX-LJQANCHMSA-N 1 1 309.457 3.888 40 0 DHABMO Cc1c(C[N@H+]2C[C@@H](c3ccccc3)C3(CCCC3)C2)cnn1C ZINC000019553555 182129137 /nfs/dbraw/zinc/12/91/37/182129137.db2.gz SBOHZZCBOXKCGX-IBGZPJMESA-N 1 1 309.457 3.888 40 0 DHABMO COc1ccccc1C[N@H+]1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019570332 182131422 /nfs/dbraw/zinc/13/14/22/182131422.db2.gz OIRNSLPNOXITLK-INIZCTEOSA-N 1 1 321.424 3.951 40 0 DHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccccc2)cc1 ZINC000020461889 182220898 /nfs/dbraw/zinc/22/08/98/182220898.db2.gz UCCHTZZRBFCBCG-UHFFFAOYSA-N 1 1 306.369 3.502 40 0 DHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000038851079 183010917 /nfs/dbraw/zinc/01/09/17/183010917.db2.gz ZDEWRDFSSSKXMH-UHFFFAOYSA-N 1 1 309.344 3.631 40 0 DHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2F)cc1 ZINC000038849267 183011534 /nfs/dbraw/zinc/01/15/34/183011534.db2.gz CUKMHCMOEZDBTK-UHFFFAOYSA-N 1 1 309.344 3.631 40 0 DHABMO Cc1cccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000072227446 257122433 /nfs/dbraw/zinc/12/24/33/257122433.db2.gz MEWOSRODEJHKIA-LSDHHAIUSA-N 1 1 321.207 3.717 40 0 DHABMO Cc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000072227493 257122850 /nfs/dbraw/zinc/12/28/50/257122850.db2.gz NLNQEDWLVOPSES-CABCVRRESA-N 1 1 321.207 3.717 40 0 DHABMO CNc1cc(C)c([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072219077 257123882 /nfs/dbraw/zinc/12/38/82/257123882.db2.gz SCZIQFVOIDVIMP-QGZVFWFLSA-N 1 1 309.413 3.799 40 0 DHABMO CCCC[N@H+]1CCCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219364 257124440 /nfs/dbraw/zinc/12/44/40/257124440.db2.gz GYKGRBVVICFBSN-GOSISDBHSA-N 1 1 317.477 3.554 40 0 DHABMO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072214452 257126281 /nfs/dbraw/zinc/12/62/81/257126281.db2.gz LCHWPDLITQNXHN-AWEZNQCLSA-N 1 1 305.422 3.610 40 0 DHABMO C[C@H]1c2ccccc2CCN1c1cc[nH+]c(NC2CCCC2)n1 ZINC000328959487 534152468 /nfs/dbraw/zinc/15/24/68/534152468.db2.gz AUQBUPTUUHUGNQ-AWEZNQCLSA-N 1 1 308.429 3.955 40 0 DHABMO COc1cc(C=O)ccc1OCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000217791198 563714847 /nfs/dbraw/zinc/71/48/47/563714847.db2.gz FAIPTXGOFBMLBZ-GASCZTMLSA-N 1 1 305.418 3.540 40 0 DHABMO CCOc1ccc(C(=O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000001615835 563288181 /nfs/dbraw/zinc/28/81/81/563288181.db2.gz OUMMMKBAYVZVQE-HOTGVXAUSA-N 1 1 301.430 3.780 40 0 DHABMO CC[N@@H+](CCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000001656145 563289440 /nfs/dbraw/zinc/28/94/40/563289440.db2.gz QXUKFRVMICWVQJ-UHFFFAOYSA-N 1 1 301.434 3.633 40 0 DHABMO CN(C)CCC[NH+]1CCC2(CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000001680246 563290977 /nfs/dbraw/zinc/29/09/77/563290977.db2.gz BJDREZAXPCVNLF-CQSZACIVSA-N 1 1 306.416 3.773 40 0 DHABMO C[N@@H+](C[C@@H](O)CO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C1CCCCC1 ZINC000009970724 563355572 /nfs/dbraw/zinc/35/55/72/563355572.db2.gz JXMIXOSOCIMCNA-UIXUWTQFSA-N 1 1 323.521 3.843 40 0 DHABMO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012336913 563366478 /nfs/dbraw/zinc/36/64/78/563366478.db2.gz LYBDSSYXELFUKU-INIZCTEOSA-N 1 1 314.429 3.812 40 0 DHABMO CCN(C(=O)c1ccc(F)cc1)[C@@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000019695606 563416461 /nfs/dbraw/zinc/41/64/61/563416461.db2.gz GSBYHCYWDRLEBU-KRWDZBQOSA-N 1 1 318.436 3.695 40 0 DHABMO OC1(c2ccccc2)C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000038781878 563460360 /nfs/dbraw/zinc/46/03/60/563460360.db2.gz ZEYWZZWPRDEWHR-UHFFFAOYSA-N 1 1 315.416 3.979 40 0 DHABMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3C)CC2)cc1 ZINC000585100058 563516779 /nfs/dbraw/zinc/51/67/79/563516779.db2.gz DMNCDFGRNQTLRG-FQEVSTJZSA-N 1 1 314.473 3.787 40 0 DHABMO CC[N@H+](CCO)[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000095934589 563531297 /nfs/dbraw/zinc/53/12/97/563531297.db2.gz FENXSFXFBWZCAT-QGZVFWFLSA-N 1 1 317.816 3.578 40 0 DHABMO CC[N@@H+](CCO)[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000095934589 563531298 /nfs/dbraw/zinc/53/12/98/563531298.db2.gz FENXSFXFBWZCAT-QGZVFWFLSA-N 1 1 317.816 3.578 40 0 DHABMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2cccnc2)[C@H]1Cc1ccccc1 ZINC000096061667 563532445 /nfs/dbraw/zinc/53/24/45/563532445.db2.gz OBGRCIQEGQPHST-RTWAWAEBSA-N 1 1 323.484 3.607 40 0 DHABMO FC1(F)CC[N@@H+](CC2CC2)C[C@@]12CCN(c1ccccc1)C2 ZINC000096051118 563532629 /nfs/dbraw/zinc/53/26/29/563532629.db2.gz CEEOSAWUYNNOJU-QGZVFWFLSA-N 1 1 306.400 3.634 40 0 DHABMO CO[C@H]1CC[N@@H+](Cc2scnc2C)C[C@@H]1Cc1ccccc1 ZINC000096110497 563533157 /nfs/dbraw/zinc/53/31/57/563533157.db2.gz MFPNBUVLKJQQBL-IRXDYDNUSA-N 1 1 316.470 3.531 40 0 DHABMO CO[C@H]1CC[N@@H+](Cc2nccs2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110521 563533370 /nfs/dbraw/zinc/53/33/70/563533370.db2.gz RKZLCRJSTNEONC-IRXDYDNUSA-N 1 1 316.470 3.531 40 0 DHABMO c1csc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ccccn2)C3)c1 ZINC000096216621 563535624 /nfs/dbraw/zinc/53/56/24/563535624.db2.gz FNNJLNSPGQIVNU-GOSISDBHSA-N 1 1 313.470 3.636 40 0 DHABMO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)C(C)C ZINC000004230402 563622958 /nfs/dbraw/zinc/62/29/58/563622958.db2.gz YIACVEFLTUJTMM-MRXNPFEDSA-N 1 1 315.465 3.647 40 0 DHABMO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)C(C)C ZINC000004230402 563622960 /nfs/dbraw/zinc/62/29/60/563622960.db2.gz YIACVEFLTUJTMM-MRXNPFEDSA-N 1 1 315.465 3.647 40 0 DHABMO COc1cccc(C=O)c1OCCCC[N@H+]1CCCC[C@@H]1C ZINC000217792603 563714644 /nfs/dbraw/zinc/71/46/44/563714644.db2.gz IHSUEFLVDRNMMB-HNNXBMFYSA-N 1 1 305.418 3.541 40 0 DHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc(C)cc1C ZINC000224802733 563744979 /nfs/dbraw/zinc/74/49/79/563744979.db2.gz QMFUJFWDWIZMDJ-LJQANCHMSA-N 1 1 316.489 3.617 40 0 DHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1cccc(Cl)c1 ZINC000225867256 563765394 /nfs/dbraw/zinc/76/53/94/563765394.db2.gz AQEFLXQKDVGABB-KRWDZBQOSA-N 1 1 322.880 3.653 40 0 DHABMO Cc1cc([C@H]2c3ccccc3CCC[N@H+]2[C@H]2CCOC2)ccn1 ZINC000248104090 563782858 /nfs/dbraw/zinc/78/28/58/563782858.db2.gz OPOOVEDFDNTLAZ-ICSRJNTNSA-N 1 1 308.425 3.517 40 0 DHABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000257201854 563789533 /nfs/dbraw/zinc/78/95/33/563789533.db2.gz AJHVJPPFSNFVRT-MRXNPFEDSA-N 1 1 306.413 3.646 40 0 DHABMO Cc1cn(C)c([C@@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)n1 ZINC000257210993 563790053 /nfs/dbraw/zinc/79/00/53/563790053.db2.gz BXAMKAIQOGAYRC-SFHVURJKSA-N 1 1 306.413 3.614 40 0 DHABMO Cc1cn(C)c([C@@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)n1 ZINC000257210993 563790057 /nfs/dbraw/zinc/79/00/57/563790057.db2.gz BXAMKAIQOGAYRC-SFHVURJKSA-N 1 1 306.413 3.614 40 0 DHABMO Fc1cccc(Cc2cnc([C@@H]3CCC[N@H+]3CC3CC3)o2)c1 ZINC000257245782 563791743 /nfs/dbraw/zinc/79/17/43/563791743.db2.gz IRBCWEXNCKEBHV-KRWDZBQOSA-N 1 1 300.377 3.951 40 0 DHABMO c1cncc(-c2nccc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)n2)c1 ZINC000012670941 563922790 /nfs/dbraw/zinc/92/27/90/563922790.db2.gz QOPIFIMHBKCQAS-CRAIPNDOSA-N 1 1 308.429 3.693 40 0 DHABMO C[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1C[C@@H](O)c1cccs1 ZINC000019498295 563922813 /nfs/dbraw/zinc/92/28/13/563922813.db2.gz XUVWJJQEZLOFGT-BLLLJJGKSA-N 1 1 312.438 3.882 40 0 DHABMO C[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1C[C@@H](O)c1cccs1 ZINC000019498295 563922814 /nfs/dbraw/zinc/92/28/14/563922814.db2.gz XUVWJJQEZLOFGT-BLLLJJGKSA-N 1 1 312.438 3.882 40 0 DHABMO CC(C)Nc1nc(N2Cc3ccccc3C[C@@H]2C)cc(C2CC2)[nH+]1 ZINC000329015391 563959594 /nfs/dbraw/zinc/95/95/94/563959594.db2.gz NANOUHSNJBOOIF-AWEZNQCLSA-N 1 1 322.456 4.126 40 0 DHABMO