smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CC[NH+](C)CC2)no1 ZINC000015673365 206316534 /nfs/dbraw/zinc/31/65/34/206316534.db2.gz TXSPGKCXYLPJOK-IRXDYDNUSA-N 2 1 362.518 1.950 40 0 biogenic,in-vitro FDABMP C[N@H+]1CCC[C@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699943 518826750 /nfs/dbraw/zinc/82/67/50/518826750.db2.gz WXPYNLGDVBVYSK-SFHVURJKSA-N 2 1 370.497 1.710 40 0 FDABMP CC(=O)N1CCC([N@H+](C)Cc2cc(N(C)C)nc([C@@H]3CCC[NH2+]3)n2)CC1 ZINC000019760264 518835949 /nfs/dbraw/zinc/83/59/49/518835949.db2.gz FGYZNXMVPNTLKX-KRWDZBQOSA-N 2 1 360.506 1.410 40 0 FDABMP CN(C)C(=O)CN1C[C@@H]2C[N@@H+]([C@H]3CCOC3)CC[C@@]2(c2ccccc2)C1 ZINC000248030578 537163478 /nfs/dbraw/zinc/16/34/78/537163478.db2.gz TVENHBIRKTWDRL-DYXWJJEUSA-N 2 1 357.498 1.439 40 0 FDABMP CN(C)C(=O)CN1C[C@@H]2C[N@H+]([C@H]3CCOC3)CC[C@@]2(c2ccccc2)C1 ZINC000248030578 537163480 /nfs/dbraw/zinc/16/34/80/537163480.db2.gz TVENHBIRKTWDRL-DYXWJJEUSA-N 2 1 357.498 1.439 40 0 FDABMP COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CCN(C(=O)C[NH+](C)C)CC2 ZINC000585102900 551571439 /nfs/dbraw/zinc/57/14/39/551571439.db2.gz HHSOBXCCIIRKBA-INIZCTEOSA-N 2 1 365.543 1.997 40 0 FDABMP C[N@@H+](CC1CC[NH+](Cc2cccc(F)c2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585292032 551580176 /nfs/dbraw/zinc/58/01/76/551580176.db2.gz VUSKLHZTXQTFOK-QRVBRYPASA-N 2 1 352.450 1.090 40 0 FDABMP CCCC[N@@H+](C)C[C@@H]1OC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)[C@H]1O ZINC000514288579 560034541 /nfs/dbraw/zinc/03/45/41/560034541.db2.gz IKIWXZZWYDPBHX-OKZBNKHCSA-N 2 1 370.515 1.040 40 0 biogenic,in-vitro FDABMP C[N@@H+]1CCc2nc([C@@H]3CCC[NH+](CC(=O)N4CCCCC4)C3)ncc2C1 ZINC000019590464 518820657 /nfs/dbraw/zinc/82/06/57/518820657.db2.gz CPYMFTKQVAHVOG-MRXNPFEDSA-N 2 1 357.502 1.656 40 0 FDABMP C[N@H+]1CCc2nc([C@@H]3CCC[NH+](CC(=O)N4CCCCC4)C3)ncc2C1 ZINC000019590464 518820667 /nfs/dbraw/zinc/82/06/67/518820667.db2.gz CPYMFTKQVAHVOG-MRXNPFEDSA-N 2 1 357.502 1.656 40 0 FDABMP C[NH+]1CCc2nc([C@@H]3CCC[N@H+](CC(=O)N4CCCCC4)C3)ncc2C1 ZINC000019590464 518820674 /nfs/dbraw/zinc/82/06/74/518820674.db2.gz CPYMFTKQVAHVOG-MRXNPFEDSA-N 2 1 357.502 1.656 40 0 FDABMP C[NH+]1CCc2nc([C@@H]3CCC[N@@H+](CC(=O)N4CCCCC4)C3)ncc2C1 ZINC000019590464 518820679 /nfs/dbraw/zinc/82/06/79/518820679.db2.gz CPYMFTKQVAHVOG-MRXNPFEDSA-N 2 1 357.502 1.656 40 0 FDABMP Cc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCN(C)CC3)CC2)cc1 ZINC000044913704 205114877 /nfs/dbraw/zinc/11/48/77/205114877.db2.gz FFQJHSWYOKQSRI-UHFFFAOYSA-N 2 1 372.557 1.961 40 0 FDABMP C[C@H]1CCCC[N@H+]1CC(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019496344 518811937 /nfs/dbraw/zinc/81/19/37/518811937.db2.gz AKUAVLAEVFBKNY-JKSUJKDBSA-N 2 1 357.502 1.703 40 0 FDABMP C[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019496343 518812988 /nfs/dbraw/zinc/81/29/88/518812988.db2.gz AKUAVLAEVFBKNY-HZPDHXFCSA-N 2 1 357.502 1.703 40 0 FDABMP CCc1[nH+]ccn1CC(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000019523515 518814262 /nfs/dbraw/zinc/81/42/62/518814262.db2.gz VDKGQIMQXSUFEZ-AWEZNQCLSA-N 2 1 354.458 1.287 40 0 FDABMP CC(C)[N@@H+]1[C@@H](C(=O)NCC[NH+](C)C)C[C@H]2CN(Cc3ccccn3)C[C@H]21 ZINC000096185750 525150070 /nfs/dbraw/zinc/15/00/70/525150070.db2.gz MRYDISGJVDJGBZ-QXAKKESOSA-N 2 1 359.518 1.043 40 0 FDABMP CC(C)N1[C@@H](C(=O)NCC[NH+](C)C)C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000096185750 525150077 /nfs/dbraw/zinc/15/00/77/525150077.db2.gz MRYDISGJVDJGBZ-QXAKKESOSA-N 2 1 359.518 1.043 40 0 FDABMP CC(C)N1[C@@H](C(=O)NCC[NH+](C)C)C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000096185750 525150088 /nfs/dbraw/zinc/15/00/88/525150088.db2.gz MRYDISGJVDJGBZ-QXAKKESOSA-N 2 1 359.518 1.043 40 0 FDABMP Cn1ccnc1C[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC000096239920 525154362 /nfs/dbraw/zinc/15/43/62/525154362.db2.gz KJNODIHWUOVQAY-UHFFFAOYSA-N 2 1 355.486 1.930 40 0 FDABMP Cn1ccnc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096239920 525154373 /nfs/dbraw/zinc/15/43/73/525154373.db2.gz KJNODIHWUOVQAY-UHFFFAOYSA-N 2 1 355.486 1.930 40 0 FDABMP CCn1cc(C[NH+]2CCC3(C[N@@H+](CCOC)C[C@@H]3COC)CC2)cn1 ZINC000585103245 551571153 /nfs/dbraw/zinc/57/11/53/551571153.db2.gz NVDDCQUXPOBLNC-GOSISDBHSA-N 2 1 350.507 1.710 40 0 FDABMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)C1 ZINC000019496500 518812003 /nfs/dbraw/zinc/81/20/03/518812003.db2.gz AINHRNUAIXIJHS-OAHLLOKOSA-N 2 1 357.502 1.560 40 0 FDABMP COc1ccc(C[N@@H+]2CCc3nnc(COCC[NH+](C)C)n3CC2)cc1 ZINC000096058869 525129063 /nfs/dbraw/zinc/12/90/63/525129063.db2.gz MZDHZQZEIUOGQY-UHFFFAOYSA-N 2 1 359.474 1.423 40 0 FDABMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000096078172 525130371 /nfs/dbraw/zinc/13/03/71/525130371.db2.gz JDYIVYNJGQTDGO-UHFFFAOYSA-N 2 1 351.516 1.751 40 0 FDABMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000096078172 525130375 /nfs/dbraw/zinc/13/03/75/525130375.db2.gz JDYIVYNJGQTDGO-UHFFFAOYSA-N 2 1 351.516 1.751 40 0 FDABMP O=C(C[NH+]1CCCC1)N1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257267057 571156071 /nfs/dbraw/zinc/15/60/71/571156071.db2.gz MFTZQCDTISZUMG-FPOVZHCZSA-N 2 1 357.498 1.710 40 0 FDABMP O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCOCC1)Nc1ccsc1 ZINC000012601830 206294508 /nfs/dbraw/zinc/29/45/08/206294508.db2.gz LOPGTKAIHSYHLH-YQQAZPJKSA-N 2 1 364.515 1.912 40 0 biogenic,in-vitro FDABMP CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1 ZINC000019523579 518814142 /nfs/dbraw/zinc/81/41/42/518814142.db2.gz NHSGKNQKPKXFEJ-CABCVRRESA-N 2 1 368.485 1.533 40 0 FDABMP COCCN1CC[NH+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)CC1 ZINC000019593422 518821251 /nfs/dbraw/zinc/82/12/51/518821251.db2.gz YGMMMOAMUQZKEQ-UHFFFAOYSA-N 2 1 357.502 1.794 40 0 FDABMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[NH+](C)C4)C2)C1 ZINC000072397264 522232249 /nfs/dbraw/zinc/23/22/49/522232249.db2.gz GAHSAUULUXXIID-SJORKVTESA-N 2 1 371.529 1.902 40 0 FDABMP C[C@@H]1CCC[NH+](CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)C1 ZINC000072397264 522232257 /nfs/dbraw/zinc/23/22/57/522232257.db2.gz GAHSAUULUXXIID-SJORKVTESA-N 2 1 371.529 1.902 40 0 FDABMP C[C@@H]1CCC[NH+](CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)C1 ZINC000072397264 522232262 /nfs/dbraw/zinc/23/22/62/522232262.db2.gz GAHSAUULUXXIID-SJORKVTESA-N 2 1 371.529 1.902 40 0 FDABMP C[NH+]1CCN(C[C@@H]2CC[C@@]3(COCC[N@@H+](Cc4ccccc4)C3)O2)CC1 ZINC000096160305 525143802 /nfs/dbraw/zinc/14/38/02/525143802.db2.gz FPIFWDXHACCGHB-LEWJYISDSA-N 2 1 359.514 1.684 40 0 FDABMP CN(C)C(=O)CN1C[C@@H]2C[N@@H+]([C@@H]3CCOC3)CC[C@@]2(c2ccccc2)C1 ZINC000248030579 537163524 /nfs/dbraw/zinc/16/35/24/537163524.db2.gz TVENHBIRKTWDRL-SBHAEUEKSA-N 2 1 357.498 1.439 40 0 FDABMP CN(C)C(=O)CN1C[C@@H]2C[N@H+]([C@@H]3CCOC3)CC[C@@]2(c2ccccc2)C1 ZINC000248030579 537163525 /nfs/dbraw/zinc/16/35/25/537163525.db2.gz TVENHBIRKTWDRL-SBHAEUEKSA-N 2 1 357.498 1.439 40 0 FDABMP O=C1NCC[C@]12C[N@@H+](Cc1cccnc1)CC21CC[NH+](CC2CC2)CC1 ZINC000096036349 209096319 /nfs/dbraw/zinc/09/63/19/209096319.db2.gz VAKAIYVGNPDGPW-NRFANRHFSA-N 2 1 354.498 1.896 40 0 FDABMP CN(C)C(=O)c1cnn2c1nccc2[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000257288153 571158343 /nfs/dbraw/zinc/15/83/43/571158343.db2.gz PTCIQNCNKODYMC-AWEZNQCLSA-N 2 1 356.474 1.315 40 0 FDABMP CN(C)C(=O)c1cnn2c1nccc2[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000257288153 571158345 /nfs/dbraw/zinc/15/83/45/571158345.db2.gz PTCIQNCNKODYMC-AWEZNQCLSA-N 2 1 356.474 1.315 40 0 FDABMP COc1ccc([C@H]2N=C(N3CCN(C)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000104280009 209260271 /nfs/dbraw/zinc/26/02/71/209260271.db2.gz RPXWDIQHNBQPMZ-KRWDZBQOSA-N 2 1 368.441 1.136 40 0 FDABMP CC(C)[N@@H+]1[C@@H](C(=O)NCC[NH+](C)C)C[C@H]2CN(Cc3ccncc3)C[C@H]21 ZINC000096064518 209107377 /nfs/dbraw/zinc/10/73/77/209107377.db2.gz USEACMFJEDYUCQ-IPMKNSEASA-N 2 1 359.518 1.043 40 0 FDABMP CC(C)N1[C@@H](C(=O)NCC[NH+](C)C)C[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000096064518 209107380 /nfs/dbraw/zinc/10/73/80/209107380.db2.gz USEACMFJEDYUCQ-IPMKNSEASA-N 2 1 359.518 1.043 40 0 FDABMP CC(C)N1[C@@H](C(=O)NCC[NH+](C)C)C[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000096064518 209107382 /nfs/dbraw/zinc/10/73/82/209107382.db2.gz USEACMFJEDYUCQ-IPMKNSEASA-N 2 1 359.518 1.043 40 0 FDABMP CNC(=O)[C@@H](C1CCCCC1)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000096112996 525135445 /nfs/dbraw/zinc/13/54/45/525135445.db2.gz NQZCZYREJXQXMT-DLBZAZTESA-N 2 1 352.523 1.166 40 0 biogenic,in-vitro FDABMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2ccc(F)cc2)CC3)CC1 ZINC000096255678 132224607 /nfs/dbraw/zinc/22/46/07/132224607.db2.gz XOJAKIAPGWPFJW-UHFFFAOYSA-N 2 1 355.461 1.968 40 0 FDABMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2ccc(F)cc2)CC3)CC1 ZINC000096255678 132224608 /nfs/dbraw/zinc/22/46/08/132224608.db2.gz XOJAKIAPGWPFJW-UHFFFAOYSA-N 2 1 355.461 1.968 40 0 FDABMP O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCOCC1)Nc1ccccc1 ZINC000095252490 525026592 /nfs/dbraw/zinc/02/65/92/525026592.db2.gz XTNSIJFDDOBHFU-JENIJYKNSA-N 2 1 358.486 1.851 40 0 biogenic,in-vitro FDABMP Fc1ccc(CN2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)cc1 ZINC000247563594 537135364 /nfs/dbraw/zinc/13/53/64/537135364.db2.gz ZNOUBTJUXXVMAQ-PMACEKPBSA-N 2 1 364.461 1.908 40 0 FDABMP CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1C[N@@H+](Cc1cccnc1)CCC2 ZINC000096055942 209105646 /nfs/dbraw/zinc/10/56/46/209105646.db2.gz ZGPWDRLMSQJJGI-FPOVZHCZSA-N 2 1 374.529 1.720 40 0 FDABMP Cc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc([C@H]2CCC[NH2+]2)[nH+]1 ZINC000019697999 518826700 /nfs/dbraw/zinc/82/67/00/518826700.db2.gz VASIHLVMCITSLB-GOSISDBHSA-N 3 1 357.502 1.559 40 0 FDABMP COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@H+]1CCc2ccccc2C1 ZINC000012602397 291039420 /nfs/dbraw/zinc/03/94/20/291039420.db2.gz UCLPYRWRCNQSTF-YSIASYRMSA-N 2 1 357.498 1.518 40 0 biogenic,in-vitro FDABMP C[NH+]1CCN(C(=O)C[C@H]2C[C@H]3C[N@H+](CCc4ccccc4)C[C@H]3O2)CC1 ZINC000096208112 209134688 /nfs/dbraw/zinc/13/46/88/209134688.db2.gz WDCNKLPNIYQRCO-XUVXKRRUSA-N 2 1 357.498 1.483 40 0 FDABMP C[NH+]1CCN(C(=O)C[C@H]2C[C@H]3C[N@@H+](CCc4ccccc4)C[C@H]3O2)CC1 ZINC000096208112 209134690 /nfs/dbraw/zinc/13/46/90/209134690.db2.gz WDCNKLPNIYQRCO-XUVXKRRUSA-N 2 1 357.498 1.483 40 0 FDABMP Cn1cc(C[C@H]2[C@H](N3CC[NH+](C)CC3)CC[N@@H+]2Cc2ccsc2)cn1 ZINC000096061728 209105601 /nfs/dbraw/zinc/10/56/01/209105601.db2.gz UVVGORZYLJFPGJ-MOPGFXCFSA-N 2 1 359.543 1.915 40 0 FDABMP Cn1cc(C[C@H]2[C@H](N3CC[NH+](C)CC3)CC[N@H+]2Cc2ccsc2)cn1 ZINC000096061728 209105604 /nfs/dbraw/zinc/10/56/04/209105604.db2.gz UVVGORZYLJFPGJ-MOPGFXCFSA-N 2 1 359.543 1.915 40 0 FDABMP COc1ccc(C[N@H+]2CCO[C@@]3(C2)COCCN(CC[NH+](C)C)C3)cc1 ZINC000096049780 209102978 /nfs/dbraw/zinc/10/29/78/209102978.db2.gz UFOFTTRBRLAMID-FQEVSTJZSA-N 2 1 363.502 1.160 40 0 FDABMP COc1ccc(C[N@@H+]2CCO[C@@]3(C2)COCCN(CC[NH+](C)C)C3)cc1 ZINC000096049780 209102972 /nfs/dbraw/zinc/10/29/72/209102972.db2.gz UFOFTTRBRLAMID-FQEVSTJZSA-N 2 1 363.502 1.160 40 0 FDABMP C[NH+]1CCN(C[C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)Nc2ccccc2)CC1 ZINC000022926970 518921339 /nfs/dbraw/zinc/92/13/39/518921339.db2.gz SWUOOCSEWWUPBO-CMKODMSKSA-N 2 1 371.529 1.766 40 0 biogenic,in-vitro FDABMP Cn1cc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccco4)n23)cn1 ZINC000306123020 571212724 /nfs/dbraw/zinc/21/27/24/571212724.db2.gz ACJYILNPIUDTNS-UHFFFAOYSA-N 2 1 367.457 1.708 40 0 FDABMP Cn1cc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccco4)n23)cn1 ZINC000306123020 571212727 /nfs/dbraw/zinc/21/27/27/571212727.db2.gz ACJYILNPIUDTNS-UHFFFAOYSA-N 2 1 367.457 1.708 40 0 FDABMP CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000257231945 571152351 /nfs/dbraw/zinc/15/23/51/571152351.db2.gz GIUPTAVVBZZZGL-OAQYLSRUSA-N 2 1 374.529 1.647 40 0 FDABMP CN(C(=O)C[N@H+]1CCc2nnc(C3CC[NH2+]CC3)n2CC1)C1CCCCC1 ZINC000019708901 211246541 /nfs/dbraw/zinc/24/65/41/211246541.db2.gz DJSLBLWLEXDBNX-UHFFFAOYSA-N 2 1 374.533 1.394 40 0 FDABMP CN(C(=O)C[N@@H+]1CCc2nnc(C3CC[NH2+]CC3)n2CC1)C1CCCCC1 ZINC000019708901 211246545 /nfs/dbraw/zinc/24/65/45/211246545.db2.gz DJSLBLWLEXDBNX-UHFFFAOYSA-N 2 1 374.533 1.394 40 0 FDABMP CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@@H+](C)CCc1ccccn1 ZINC000008636208 518481115 /nfs/dbraw/zinc/48/11/15/518481115.db2.gz CBLUHDCAHAUMBT-CMKODMSKSA-N 2 1 373.545 1.974 40 0 biogenic,in-vitro FDABMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)C1 ZINC000019496512 211223890 /nfs/dbraw/zinc/22/38/90/211223890.db2.gz RLBNPKFZAZVPAZ-HZPDHXFCSA-N 2 1 357.502 1.560 40 0 FDABMP CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019523570 211228540 /nfs/dbraw/zinc/22/85/40/211228540.db2.gz VCFMLOZEDKKRPH-YOEHRIQHSA-N 2 1 368.485 1.881 40 0 FDABMP C[NH+](C)CCOc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)c1 ZINC000585292212 551580540 /nfs/dbraw/zinc/58/05/40/551580540.db2.gz GEBBWIODTALGAM-YPAWHYETSA-N 2 1 370.493 1.948 40 0 FDABMP C[N@H+]1CCC[C@@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699942 211247369 /nfs/dbraw/zinc/24/73/69/211247369.db2.gz WXPYNLGDVBVYSK-GOSISDBHSA-N 2 1 370.497 1.710 40 0 FDABMP COCC[N@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1cc(C)nn1C)CC2 ZINC000585104330 551572193 /nfs/dbraw/zinc/57/21/93/551572193.db2.gz ZCRKDRVMZKVPAV-QGZVFWFLSA-N 2 1 350.507 1.535 40 0 FDABMP C[NH+](C)[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000514288415 560034938 /nfs/dbraw/zinc/03/49/38/560034938.db2.gz DIHHCIVNYAWWDA-YESZJQIVSA-N 2 1 373.419 1.517 40 0 biogenic,in-vitro FDABMP CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096055941 222005665 /nfs/dbraw/zinc/00/56/65/222005665.db2.gz AGAOHZRZOVLJNJ-RXVVDRJESA-N 2 1 374.529 1.720 40 0 FDABMP C[NH+]1CCN(C[C@H]2CC[C@]3(COCC[N@@H+](Cc4ccccc4)C3)O2)CC1 ZINC000096160311 222059411 /nfs/dbraw/zinc/05/94/11/222059411.db2.gz FPIFWDXHACCGHB-RTWAWAEBSA-N 2 1 359.514 1.684 40 0 FDABMP C[N@@H+](Cc1ccco1)C[C@@H]1CC[C@]2(COCC[NH+]([C@H]3CCOC3)C2)O1 ZINC000107195027 222392403 /nfs/dbraw/zinc/39/24/03/222392403.db2.gz FOXYSEKAGOZVIK-WDSOQIARSA-N 2 1 350.459 1.750 40 0 FDABMP C[N@H+](Cc1ccco1)C[C@@H]1CC[C@]2(COCC[NH+]([C@H]3CCOC3)C2)O1 ZINC000107195027 222392405 /nfs/dbraw/zinc/39/24/05/222392405.db2.gz FOXYSEKAGOZVIK-WDSOQIARSA-N 2 1 350.459 1.750 40 0 FDABMP C[NH+](Cc1ccco1)C[C@@H]1CC[C@]2(COCC[N@@H+]([C@H]3CCOC3)C2)O1 ZINC000107195027 222392407 /nfs/dbraw/zinc/39/24/07/222392407.db2.gz FOXYSEKAGOZVIK-WDSOQIARSA-N 2 1 350.459 1.750 40 0 FDABMP C[NH+](Cc1ccco1)C[C@@H]1CC[C@]2(COCC[N@H+]([C@H]3CCOC3)C2)O1 ZINC000107195027 222392410 /nfs/dbraw/zinc/39/24/10/222392410.db2.gz FOXYSEKAGOZVIK-WDSOQIARSA-N 2 1 350.459 1.750 40 0 FDABMP CC(C)C[NH+]1CCC(O)(c2csc(CN3CC[NH+](C)CC3)n2)CC1 ZINC000225471805 537550831 /nfs/dbraw/zinc/55/08/31/537550831.db2.gz OUSBEOJWEZWWAB-UHFFFAOYSA-N 2 1 352.548 1.830 40 0 biogenic,in-vitro FDABMP C[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccc(OCCF)cc3)C2)CC1 ZINC000257236819 570627211 /nfs/dbraw/zinc/62/72/11/570627211.db2.gz HDXGLWAPPWQUEI-LJQANCHMSA-N 2 1 351.466 1.219 40 0 FDABMP C[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccc(OCCF)cc3)C2)CC1 ZINC000257236819 570627215 /nfs/dbraw/zinc/62/72/15/570627215.db2.gz HDXGLWAPPWQUEI-LJQANCHMSA-N 2 1 351.466 1.219 40 0 FDABMP C[C@H]1CCC[N@@H+](CC(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)C1 ZINC000253602763 571291855 /nfs/dbraw/zinc/29/18/55/571291855.db2.gz RLBNPKFZAZVPAZ-HOTGVXAUSA-N 2 1 357.502 1.560 40 0 FDABMP C[NH+]1CCC2(Cc3nc4c(c(=O)n3C2)C[N@@H+](Cc2cccnc2)CC4)CC1 ZINC000306137984 210056525 /nfs/dbraw/zinc/05/65/25/210056525.db2.gz RLSWFPLGEXAACX-UHFFFAOYSA-N 2 1 365.481 1.465 40 0 FDABMP C[NH+]1CCC2(Cc3nc4c(c(=O)n3C2)C[N@H+](Cc2cccnc2)CC4)CC1 ZINC000306137984 210056521 /nfs/dbraw/zinc/05/65/21/210056521.db2.gz RLSWFPLGEXAACX-UHFFFAOYSA-N 2 1 365.481 1.465 40 0 FDABMP CC(=O)N1CCC([N@H+](C)Cc2cc(N(C)C)nc([C@H]3CCC[NH2+]3)n2)CC1 ZINC000019760266 518835273 /nfs/dbraw/zinc/83/52/73/518835273.db2.gz FGYZNXMVPNTLKX-QGZVFWFLSA-N 2 1 360.506 1.410 40 0 FDABMP O=C(NC1CC(F)(F)C1)[C@@H]1C[N@@H+](CC2CCOCC2)Cc2cncn21 ZINC000306136638 223111111 /nfs/dbraw/zinc/11/11/11/223111111.db2.gz PYYCEBUNMMCEPM-HNNXBMFYSA-N 2 1 354.401 1.580 40 0 FDABMP COc1ccc(C[N@@H+](C)C[C@]2(O)CCCN(C(=O)C(C)(C)[NH3+])CC2)cc1 ZINC000257257603 533541117 /nfs/dbraw/zinc/54/11/17/533541117.db2.gz KQJFWECOQOODCC-FQEVSTJZSA-N 2 1 363.502 1.608 40 0 FDABMP C[NH+]1CCC(N2CC3(C2)C[N@@H+](Cc2ccccc2)C[C@@H]2COCCN23)CC1 ZINC000604381848 553870054 /nfs/dbraw/zinc/87/00/54/553870054.db2.gz RLPYIOHCXSPNNP-OAQYLSRUSA-N 2 1 370.541 1.352 40 0 biogenic,in-vitro FDABMP O=C(NC1CC(F)(F)C1)[C@H]1C[N@@H+](CC2CCOCC2)Cc2cncn21 ZINC000306136639 223111012 /nfs/dbraw/zinc/11/10/12/223111012.db2.gz PYYCEBUNMMCEPM-OAHLLOKOSA-N 2 1 354.401 1.580 40 0 FDABMP O=C(C[C@H]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2O1)NCC[NH+]1CCCC1 ZINC000096220545 222083977 /nfs/dbraw/zinc/08/39/77/222083977.db2.gz AYLOOUVNFTXOLW-XUVXKRRUSA-N 2 1 357.498 1.878 40 0 FDABMP C[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](C)C3)CC2)C1 ZINC000004895369 518317215 /nfs/dbraw/zinc/31/72/15/518317215.db2.gz PXZFTQIYTKXVSW-HDICACEKSA-N 2 1 364.534 1.121 40 0 FDABMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](C)C3)CC2)C1 ZINC000004895369 518317222 /nfs/dbraw/zinc/31/72/22/518317222.db2.gz PXZFTQIYTKXVSW-HDICACEKSA-N 2 1 364.534 1.121 40 0 FDABMP C[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@H](C)C3)CC2)C1 ZINC000004895369 518317229 /nfs/dbraw/zinc/31/72/29/518317229.db2.gz PXZFTQIYTKXVSW-HDICACEKSA-N 2 1 364.534 1.121 40 0 FDABMP Cc1[nH+]ccn1CC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCC(F)(F)CC2)CC1 ZINC000257276275 223046789 /nfs/dbraw/zinc/04/67/89/223046789.db2.gz NTBOOIQDCXHSQB-GJZGRUSLSA-N 2 1 356.417 1.275 40 0 FDABMP O=c1c2c(nc3n1CC1(C3)CC[NH2+]CC1)CC[N@H+](Cc1ccccc1)C2 ZINC000306142374 223112707 /nfs/dbraw/zinc/11/27/07/223112707.db2.gz WXZHVROZBPQAIF-UHFFFAOYSA-N 2 1 350.466 1.728 40 0 FDABMP C[C@H]1CCC[N@@H+](CC(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)C1 ZINC000019496501 220261931 /nfs/dbraw/zinc/26/19/31/220261931.db2.gz AINHRNUAIXIJHS-HNNXBMFYSA-N 2 1 357.502 1.560 40 0 FDABMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030944535 519401677 /nfs/dbraw/zinc/40/16/77/519401677.db2.gz WYCOUTWNJCCALD-GOSISDBHSA-N 2 1 363.477 1.876 40 0 FDABMP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030944535 519401681 /nfs/dbraw/zinc/40/16/81/519401681.db2.gz WYCOUTWNJCCALD-GOSISDBHSA-N 2 1 363.477 1.876 40 0 FDABMP C[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000248048314 537164419 /nfs/dbraw/zinc/16/44/19/537164419.db2.gz AKUAVLAEVFBKNY-CVEARBPZSA-N 2 1 357.502 1.703 40 0 FDABMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)C1 ZINC000253602762 571291841 /nfs/dbraw/zinc/29/18/41/571291841.db2.gz RLBNPKFZAZVPAZ-CVEARBPZSA-N 2 1 357.502 1.560 40 0 FDABMP CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1 ZINC000019523580 220265581 /nfs/dbraw/zinc/26/55/81/220265581.db2.gz NHSGKNQKPKXFEJ-GJZGRUSLSA-N 2 1 368.485 1.533 40 0 FDABMP C[NH+]1CCN(C[C@@H]2CC[C@]3(COCC[N@@H+](Cc4ccccc4)C3)O2)CC1 ZINC000096160309 222060128 /nfs/dbraw/zinc/06/01/28/222060128.db2.gz FPIFWDXHACCGHB-SFTDATJTSA-N 2 1 359.514 1.684 40 0 FDABMP C[NH+]1CCN(C[C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)c2ccccc2)CC1 ZINC000022926948 263386398 /nfs/dbraw/zinc/38/63/98/263386398.db2.gz AVWCUCMIBAQHSN-SLFFLAALSA-N 2 1 356.514 1.374 40 0 biogenic,in-vitro FDABMP CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000257231944 528861259 /nfs/dbraw/zinc/86/12/59/528861259.db2.gz GIUPTAVVBZZZGL-NRFANRHFSA-N 2 1 374.529 1.647 40 0 FDABMP COc1ccccc1C[N@H+]1CC[C@@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019570040 220274768 /nfs/dbraw/zinc/27/47/68/220274768.db2.gz VGQXWXNINCWXSM-OAHLLOKOSA-N 2 1 352.442 1.783 40 0 FDABMP Cc1cccc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC000096255682 132224514 /nfs/dbraw/zinc/22/45/14/132224514.db2.gz LFXNVBROVGMEDZ-UHFFFAOYSA-N 2 1 352.486 1.533 40 0 FDABMP Cc1cccc(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC000096255682 132224515 /nfs/dbraw/zinc/22/45/15/132224515.db2.gz LFXNVBROVGMEDZ-UHFFFAOYSA-N 2 1 352.486 1.533 40 0 FDABMP C[N@@H+](Cc1ccco1)C[C@@H]1CC[C@@]2(COCC[NH+]([C@@H]3CCOC3)C2)O1 ZINC000096160631 222060408 /nfs/dbraw/zinc/06/04/08/222060408.db2.gz FOXYSEKAGOZVIK-NZSAHSFTSA-N 2 1 350.459 1.750 40 0 FDABMP C[N@H+](Cc1ccco1)C[C@@H]1CC[C@@]2(COCC[NH+]([C@@H]3CCOC3)C2)O1 ZINC000096160631 222060410 /nfs/dbraw/zinc/06/04/10/222060410.db2.gz FOXYSEKAGOZVIK-NZSAHSFTSA-N 2 1 350.459 1.750 40 0 FDABMP C[NH+](Cc1ccco1)C[C@@H]1CC[C@@]2(COCC[N@@H+]([C@@H]3CCOC3)C2)O1 ZINC000096160631 222060413 /nfs/dbraw/zinc/06/04/13/222060413.db2.gz FOXYSEKAGOZVIK-NZSAHSFTSA-N 2 1 350.459 1.750 40 0 FDABMP C[NH+](Cc1ccco1)C[C@@H]1CC[C@@]2(COCC[N@H+]([C@@H]3CCOC3)C2)O1 ZINC000096160631 222060414 /nfs/dbraw/zinc/06/04/14/222060414.db2.gz FOXYSEKAGOZVIK-NZSAHSFTSA-N 2 1 350.459 1.750 40 0 FDABMP Cc1ccc(C[N@@H+]2CCO[C@@]3(C2)COCCN(CC[NH+](C)C)C3)s1 ZINC000096229387 222090653 /nfs/dbraw/zinc/09/06/53/222090653.db2.gz AWYHNNIXIJOMKF-SFHVURJKSA-N 2 1 353.532 1.521 40 0 FDABMP Cc1ccc(C[N@H+]2CCO[C@@]3(C2)COCCN(CC[NH+](C)C)C3)s1 ZINC000096229387 222090656 /nfs/dbraw/zinc/09/06/56/222090656.db2.gz AWYHNNIXIJOMKF-SFHVURJKSA-N 2 1 353.532 1.521 40 0 FDABMP C[N@@H+](Cc1ccco1)C[C@@H]1CC[C@@]2(COCC[NH+]([C@H]3CCOC3)C2)O1 ZINC000248021445 537163212 /nfs/dbraw/zinc/16/32/12/537163212.db2.gz FOXYSEKAGOZVIK-YTQUADARSA-N 2 1 350.459 1.750 40 0 FDABMP C[N@H+](Cc1ccco1)C[C@@H]1CC[C@@]2(COCC[NH+]([C@H]3CCOC3)C2)O1 ZINC000248021445 537163213 /nfs/dbraw/zinc/16/32/13/537163213.db2.gz FOXYSEKAGOZVIK-YTQUADARSA-N 2 1 350.459 1.750 40 0 FDABMP C[NH+](Cc1ccco1)C[C@@H]1CC[C@@]2(COCC[N@@H+]([C@H]3CCOC3)C2)O1 ZINC000248021445 537163215 /nfs/dbraw/zinc/16/32/15/537163215.db2.gz FOXYSEKAGOZVIK-YTQUADARSA-N 2 1 350.459 1.750 40 0 FDABMP C[NH+](Cc1ccco1)C[C@@H]1CC[C@@]2(COCC[N@H+]([C@H]3CCOC3)C2)O1 ZINC000248021445 537163217 /nfs/dbraw/zinc/16/32/17/537163217.db2.gz FOXYSEKAGOZVIK-YTQUADARSA-N 2 1 350.459 1.750 40 0 FDABMP COCC[N@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1cc(C)nn1C)CC2 ZINC000585104328 551572097 /nfs/dbraw/zinc/57/20/97/551572097.db2.gz ZCRKDRVMZKVPAV-KRWDZBQOSA-N 2 1 350.507 1.535 40 0 FDABMP C[C@H]1CCCC[N@H+]1CC(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000257311411 571215975 /nfs/dbraw/zinc/21/59/75/571215975.db2.gz UJHWMOPKEZRGQK-HOTGVXAUSA-N 2 1 370.501 1.499 40 0 FDABMP C[NH+](C)C1CCN(C(=O)C2=NO[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000096225667 222086548 /nfs/dbraw/zinc/08/65/48/222086548.db2.gz RIVXYKUWKQUUNL-NRFANRHFSA-N 2 1 370.497 1.960 40 0 FDABMP C[C@@H]1CCCC[N@H+]1CC(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019496353 220260398 /nfs/dbraw/zinc/26/03/98/220260398.db2.gz UJHWMOPKEZRGQK-HZPDHXFCSA-N 2 1 370.501 1.499 40 0 FDABMP COc1ccc(C[N@@H+]2CCO[C@]3(C2)COCCN(CC[NH+](C)C)C3)cc1 ZINC000096049779 222001968 /nfs/dbraw/zinc/00/19/68/222001968.db2.gz UFOFTTRBRLAMID-HXUWFJFHSA-N 2 1 363.502 1.160 40 0 FDABMP COc1ccc(C[N@H+]2CCO[C@]3(C2)COCCN(CC[NH+](C)C)C3)cc1 ZINC000096049779 222001971 /nfs/dbraw/zinc/00/19/71/222001971.db2.gz UFOFTTRBRLAMID-HXUWFJFHSA-N 2 1 363.502 1.160 40 0 FDABMP COC[C@@H]1CC2(C[N@H+]1CC(=O)N(C)C)CC[NH+](C1CCOCC1)CC2 ZINC000096217474 222082750 /nfs/dbraw/zinc/08/27/50/222082750.db2.gz OZSCGBYQZUKJMN-KRWDZBQOSA-N 2 1 353.507 1.057 40 0 FDABMP COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[nH]c(N3CC[NH+](C)CC3)n2)c1 ZINC000012326557 518604628 /nfs/dbraw/zinc/60/46/28/518604628.db2.gz SFFFBNSEARTKPD-DLBZAZTESA-N 2 1 369.469 1.413 40 0 FDABMP O=C1NCC[C@@]12C[N@@H+](Cc1cccnc1)CC21CC[NH+](CC2CC2)CC1 ZINC000096036348 525125510 /nfs/dbraw/zinc/12/55/10/525125510.db2.gz VAKAIYVGNPDGPW-OAQYLSRUSA-N 2 1 354.498 1.896 40 0 FDABMP COc1ccc(OC)c(C[N@@H+]2CCc3nnc([C@@H]4CCC[NH2+]C4)n3CC2)c1 ZINC000072370884 522226725 /nfs/dbraw/zinc/22/67/25/522226725.db2.gz BLNGPURKCHTRCE-OAHLLOKOSA-N 2 1 371.485 1.821 40 0 FDABMP CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1 ZINC000019523578 220266181 /nfs/dbraw/zinc/26/61/81/220266181.db2.gz NHSGKNQKPKXFEJ-LSDHHAIUSA-N 2 1 368.485 1.533 40 0 FDABMP COc1ccccc1C[N@H+]1CC[C@H](c2nn(CC[NH3+])c3nccnc23)C1 ZINC000019570044 220274761 /nfs/dbraw/zinc/27/47/61/220274761.db2.gz VGQXWXNINCWXSM-HNNXBMFYSA-N 2 1 352.442 1.783 40 0 FDABMP C[NH+](C)CCN1CC[C@]2(C[N@H+]([C@H]3CCOC3)C[C@H]2c2ccccc2)C1=O ZINC000096201883 222074698 /nfs/dbraw/zinc/07/46/98/222074698.db2.gz CWIYFXSQUQAHJL-IRFCIJBXSA-N 2 1 357.498 1.655 40 0 FDABMP C[NH+]1CCN(c2ncc3c(ccn(CC[NH+]4CCCCC4)c3=O)n2)CC1 ZINC000009290424 518501271 /nfs/dbraw/zinc/50/12/71/518501271.db2.gz QVSIUURIACLKAW-UHFFFAOYSA-N 2 1 356.474 1.029 40 0 FDABMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CCC(=O)Nc2cccnc2)c1 ZINC000001716435 534961444 /nfs/dbraw/zinc/96/14/44/534961444.db2.gz ZNEMTJUMFDMPNL-UHFFFAOYSA-N 2 1 365.441 1.838 40 0 FDABMP Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(OCCC[NH3+])cc2)[C@H]1O ZINC000257238962 571153331 /nfs/dbraw/zinc/15/33/31/571153331.db2.gz HNGPILJRKUXXOL-GUDVDZBRSA-N 2 1 372.469 1.756 40 0 FDABMP CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000257343983 571163259 /nfs/dbraw/zinc/16/32/59/571163259.db2.gz ZVFLZDPNBFWLEN-OAHLLOKOSA-N 2 1 370.501 1.705 40 0 FDABMP CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC000257343983 571163261 /nfs/dbraw/zinc/16/32/61/571163261.db2.gz ZVFLZDPNBFWLEN-OAHLLOKOSA-N 2 1 370.501 1.705 40 0 FDABMP C[C@H]1CCCC[N@H+]1CC(=O)NCCn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019496354 518811904 /nfs/dbraw/zinc/81/19/04/518811904.db2.gz UJHWMOPKEZRGQK-JKSUJKDBSA-N 2 1 370.501 1.499 40 0 FDABMP C[NH+](C)CCO[C@@H]1C[C@H]2CN(C(=O)c3cccc(Cl)c3)CC[N@H+]2C1 ZINC000096183172 525146645 /nfs/dbraw/zinc/14/66/45/525146645.db2.gz FNWGVZYKKHABMS-DLBZAZTESA-N 2 1 351.878 1.817 40 0 FDABMP CN(C)C(=O)[C@@]12CCC3(CC[NH+](CC4CCOCC4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096036294 525121856 /nfs/dbraw/zinc/12/18/56/525121856.db2.gz QJRLBXVZXSLTOG-GHTZIAJQSA-N 2 1 363.546 1.925 40 0 FDABMP CN(C)C(=O)C[NH+]1CCC2(CC1)C[N@@H+](C)Cc1c(-c3ccccc3)ncn12 ZINC000306141011 571042029 /nfs/dbraw/zinc/04/20/29/571042029.db2.gz VIYAOGZCFQMSOZ-UHFFFAOYSA-N 2 1 367.497 1.875 40 0 FDABMP COc1ccc(C[N@@H+](C)C[C@@]2(O)CCCN(C(=O)C(C)(C)[NH3+])CC2)cc1 ZINC000257257604 571155118 /nfs/dbraw/zinc/15/51/18/571155118.db2.gz KQJFWECOQOODCC-HXUWFJFHSA-N 2 1 363.502 1.608 40 0 FDABMP C[C@H]1CCCC[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000004895362 206181997 /nfs/dbraw/zinc/18/19/97/206181997.db2.gz URXLDHINOKWZPK-ROUUACIJSA-N 2 1 364.534 1.406 40 0 FDABMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Br)c1OCC(N)=O ZINC000008253719 518464897 /nfs/dbraw/zinc/46/48/97/518464897.db2.gz SPXIRABIVJNWKX-UHFFFAOYSA-N 2 1 374.279 1.411 40 0 FDABMP Cc1[nH+]ccn1CC1(O)CCN(C(=O)C2C[NH+](Cc3ccccc3)C2)CC1 ZINC000019287840 518806241 /nfs/dbraw/zinc/80/62/41/518806241.db2.gz BTJAHVPDHJSUDW-UHFFFAOYSA-N 2 1 368.481 1.677 40 0 FDABMP C[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[NH+](C)C4)C2)C1 ZINC000019496503 518812913 /nfs/dbraw/zinc/81/29/13/518812913.db2.gz GAHSAUULUXXIID-DLBZAZTESA-N 2 1 371.529 1.902 40 0 FDABMP C[C@H]1CCC[NH+](CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)C1 ZINC000019496503 518812922 /nfs/dbraw/zinc/81/29/22/518812922.db2.gz GAHSAUULUXXIID-DLBZAZTESA-N 2 1 371.529 1.902 40 0 FDABMP C[C@H]1CCC[NH+](CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)C1 ZINC000019496503 518812928 /nfs/dbraw/zinc/81/29/28/518812928.db2.gz GAHSAUULUXXIID-DLBZAZTESA-N 2 1 371.529 1.902 40 0 FDABMP C[N@@H+]1CCc2nc([C@H]3CCC[NH+](CC(=O)N4CCCCC4)C3)ncc2C1 ZINC000019590465 518820962 /nfs/dbraw/zinc/82/09/62/518820962.db2.gz CPYMFTKQVAHVOG-INIZCTEOSA-N 2 1 357.502 1.656 40 0 FDABMP C[N@H+]1CCc2nc([C@H]3CCC[NH+](CC(=O)N4CCCCC4)C3)ncc2C1 ZINC000019590465 518820970 /nfs/dbraw/zinc/82/09/70/518820970.db2.gz CPYMFTKQVAHVOG-INIZCTEOSA-N 2 1 357.502 1.656 40 0 FDABMP C[NH+]1CCc2nc([C@H]3CCC[N@H+](CC(=O)N4CCCCC4)C3)ncc2C1 ZINC000019590465 518820978 /nfs/dbraw/zinc/82/09/78/518820978.db2.gz CPYMFTKQVAHVOG-INIZCTEOSA-N 2 1 357.502 1.656 40 0 FDABMP C[NH+]1CCc2nc([C@H]3CCC[N@@H+](CC(=O)N4CCCCC4)C3)ncc2C1 ZINC000019590465 518820986 /nfs/dbraw/zinc/82/09/86/518820986.db2.gz CPYMFTKQVAHVOG-INIZCTEOSA-N 2 1 357.502 1.656 40 0 FDABMP CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1C[N@@H+](Cc1ccco1)CCC2 ZINC000096055932 525128048 /nfs/dbraw/zinc/12/80/48/525128048.db2.gz CQJAMEMENPYHAS-PXNSSMCTSA-N 2 1 363.502 1.918 40 0 FDABMP C[NH+]1CCN(C[C@H]2CC[C@@]3(COCC[N@@H+](Cc4ccccc4)C3)O2)CC1 ZINC000096160307 525144712 /nfs/dbraw/zinc/14/47/12/525144712.db2.gz FPIFWDXHACCGHB-NHCUHLMSSA-N 2 1 359.514 1.684 40 0 FDABMP CN(C)Cc1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)NC2CCCCC2)nn1 ZINC000008298874 560108218 /nfs/dbraw/zinc/10/82/18/560108218.db2.gz CSNDFUBIEACSGJ-IPELMVKDSA-N 2 1 374.533 1.499 40 0 biogenic,in-vitro FDABMP O=C(C[C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2O1)NCC[NH+]1CCCC1 ZINC000096220792 525151527 /nfs/dbraw/zinc/15/15/27/525151527.db2.gz AYLOOUVNFTXOLW-SLFFLAALSA-N 2 1 357.498 1.878 40 0 FDABMP C[C@H]1CCC[N@@H+](CC(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)C1 ZINC000019496513 518812434 /nfs/dbraw/zinc/81/24/34/518812434.db2.gz RLBNPKFZAZVPAZ-JKSUJKDBSA-N 2 1 357.502 1.560 40 0 FDABMP C[NH+](C)CCCN1Cn2c3ccccc3nc2N(N2CC[NH+](C)CC2)C1 ZINC000020637227 518855879 /nfs/dbraw/zinc/85/58/79/518855879.db2.gz RIOYZJHNAJILQE-UHFFFAOYSA-N 2 1 357.506 1.187 40 0 FDABMP CN(C)Cc1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)Nc2ccccc2)nn1 ZINC000008298304 571360318 /nfs/dbraw/zinc/36/03/18/571360318.db2.gz AESUIWORDHIPMF-IPELMVKDSA-N 2 1 368.485 1.689 40 0 biogenic,in-vitro FDABMP COc1ccc(C[N@H+]2CC[C@H]3CO[C@H](CN4CC[NH+](C)CC4)[C@H]3C2)cc1 ZINC000096056260 525127785 /nfs/dbraw/zinc/12/77/85/525127785.db2.gz BGZWBFWYQLMFPT-SESVDKBCSA-N 2 1 359.514 1.780 40 0 FDABMP COc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCN(C)CC4)[C@H]3C2)cc1 ZINC000096056260 525127794 /nfs/dbraw/zinc/12/77/94/525127794.db2.gz BGZWBFWYQLMFPT-SESVDKBCSA-N 2 1 359.514 1.780 40 0 FDABMP COc1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCN(C)CC4)[C@H]3C2)cc1 ZINC000096056260 525127803 /nfs/dbraw/zinc/12/78/03/525127803.db2.gz BGZWBFWYQLMFPT-SESVDKBCSA-N 2 1 359.514 1.780 40 0 FDABMP Cc1cn(-c2ccnc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)c(C)n1 ZINC000257277214 571157233 /nfs/dbraw/zinc/15/72/33/571157233.db2.gz NWWWOVVRGXUAGD-OAHLLOKOSA-N 2 1 363.487 1.870 40 0 FDABMP CNC(=O)c1cnn2c1nccc2[C@@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC000257307020 571160132 /nfs/dbraw/zinc/16/01/32/571160132.db2.gz SWXFTHWNFWALNC-CQSZACIVSA-N 2 1 356.474 1.363 40 0 FDABMP CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1 ZINC000019523577 518814000 /nfs/dbraw/zinc/81/40/00/518814000.db2.gz NHSGKNQKPKXFEJ-HUUCEWRRSA-N 2 1 368.485 1.533 40 0 FDABMP C[C@H]1CCCC[N@H+]1CC(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)ncc2C1 ZINC000248048319 537164470 /nfs/dbraw/zinc/16/44/70/537164470.db2.gz AKUAVLAEVFBKNY-HOTGVXAUSA-N 2 1 357.502 1.703 40 0 FDABMP C[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccc(OCCF)cc3)C2)CC1 ZINC000257236818 570626794 /nfs/dbraw/zinc/62/67/94/570626794.db2.gz HDXGLWAPPWQUEI-IBGZPJMESA-N 2 1 351.466 1.219 40 0 FDABMP C[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccc(OCCF)cc3)C2)CC1 ZINC000257236818 570626798 /nfs/dbraw/zinc/62/67/98/570626798.db2.gz HDXGLWAPPWQUEI-IBGZPJMESA-N 2 1 351.466 1.219 40 0 FDABMP C[C@@H]1CCCC[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000004489277 518299518 /nfs/dbraw/zinc/29/95/18/518299518.db2.gz URXLDHINOKWZPK-QZTJIDSGSA-N 2 1 364.534 1.406 40 0 FDABMP Cn1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cn1 ZINC000096239919 209141541 /nfs/dbraw/zinc/14/15/41/209141541.db2.gz LJQHFBKHKDTACJ-UHFFFAOYSA-N 2 1 355.486 1.930 40 0 FDABMP C[C@@H]1CCCC[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000004895361 518316150 /nfs/dbraw/zinc/31/61/50/518316150.db2.gz URXLDHINOKWZPK-HDICACEKSA-N 2 1 364.534 1.406 40 0 FDABMP C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(C(=O)C[NH+]2CCCC[C@@H]2C)CC1 ZINC000004895361 518316159 /nfs/dbraw/zinc/31/61/59/518316159.db2.gz URXLDHINOKWZPK-HDICACEKSA-N 2 1 364.534 1.406 40 0 FDABMP C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(C(=O)C[NH+]2CCCC[C@@H]2C)CC1 ZINC000004895361 518316168 /nfs/dbraw/zinc/31/61/68/518316168.db2.gz URXLDHINOKWZPK-HDICACEKSA-N 2 1 364.534 1.406 40 0 FDABMP C[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[NH+](C)C4)C2)C1 ZINC000072397265 522231483 /nfs/dbraw/zinc/23/14/83/522231483.db2.gz GAHSAUULUXXIID-IRXDYDNUSA-N 2 1 371.529 1.902 40 0 FDABMP C[C@H]1CCC[NH+](CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)C1 ZINC000072397265 522231497 /nfs/dbraw/zinc/23/14/97/522231497.db2.gz GAHSAUULUXXIID-IRXDYDNUSA-N 2 1 371.529 1.902 40 0 FDABMP C[C@H]1CCC[NH+](CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)C1 ZINC000072397265 522231508 /nfs/dbraw/zinc/23/15/08/522231508.db2.gz GAHSAUULUXXIID-IRXDYDNUSA-N 2 1 371.529 1.902 40 0 FDABMP Cc1[nH+]ccn1[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(OCC[NH3+])c2)[C@H]1O ZINC000257221446 571151669 /nfs/dbraw/zinc/15/16/69/571151669.db2.gz DPBQBGGRZGIQCZ-GUDVDZBRSA-N 2 1 372.469 1.756 40 0 FDABMP CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096055934 209105377 /nfs/dbraw/zinc/10/53/77/209105377.db2.gz ADNPPQBPSPXRMQ-ICSRJNTNSA-N 2 1 363.502 1.918 40 0 FDABMP Cn1cc(C[C@H]2[C@H](N3CC[NH+](C)CC3)CC[N@@H+]2Cc2cccs2)cn1 ZINC000096061726 209104577 /nfs/dbraw/zinc/10/45/77/209104577.db2.gz FKAYGKVASRAQPI-MOPGFXCFSA-N 2 1 359.543 1.915 40 0 FDABMP Cn1cc(C[C@H]2[C@H](N3CC[NH+](C)CC3)CC[N@H+]2Cc2cccs2)cn1 ZINC000096061726 209104581 /nfs/dbraw/zinc/10/45/81/209104581.db2.gz FKAYGKVASRAQPI-MOPGFXCFSA-N 2 1 359.543 1.915 40 0 FDABMP CC(C)c1[nH+]ccn1CC(=O)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019454386 518812081 /nfs/dbraw/zinc/81/20/81/518812081.db2.gz RGVAFBIASYYPFW-MRXNPFEDSA-N 2 1 354.458 1.806 40 0 FDABMP COc1ccc(OC)c(C[N@@H+]2CCc3nnc([C@H]4CCC[NH2+]C4)n3CC2)c1 ZINC000072370885 522224850 /nfs/dbraw/zinc/22/48/50/522224850.db2.gz BLNGPURKCHTRCE-HNNXBMFYSA-N 2 1 371.485 1.821 40 0 FDABMP CCS(=O)(=O)CC[NH+]1CCC2(C[N@H+](C)C[C@@H]2COCC2CC2)CC1 ZINC000248162454 537169409 /nfs/dbraw/zinc/16/94/09/537169409.db2.gz YGPOYSWZHGFUNR-QGZVFWFLSA-N 2 1 358.548 1.492 40 0 FDABMP CCS(=O)(=O)CC[NH+]1CCC2(C[N@@H+](C)C[C@@H]2COCC2CC2)CC1 ZINC000248162454 537169411 /nfs/dbraw/zinc/16/94/11/537169411.db2.gz YGPOYSWZHGFUNR-QGZVFWFLSA-N 2 1 358.548 1.492 40 0 FDABMP CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000257288154 571158370 /nfs/dbraw/zinc/15/83/70/571158370.db2.gz PTCIQNCNKODYMC-CQSZACIVSA-N 2 1 356.474 1.315 40 0 FDABMP CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000257288154 571158372 /nfs/dbraw/zinc/15/83/72/571158372.db2.gz PTCIQNCNKODYMC-CQSZACIVSA-N 2 1 356.474 1.315 40 0 FDABMP C[NH+]1CCN(c2ccc3ccc(C(=O)N4CCC[N@@H+](C)CC4)cn32)CC1 ZINC000096155891 209126757 /nfs/dbraw/zinc/12/67/57/209126757.db2.gz SVEDVLGVEYWTHD-UHFFFAOYSA-N 2 1 355.486 1.469 40 0 FDABMP C[NH+](C)C1CCN(C(=O)C2=NO[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000096225666 209139715 /nfs/dbraw/zinc/13/97/15/209139715.db2.gz RIVXYKUWKQUUNL-OAQYLSRUSA-N 2 1 370.497 1.960 40 0 FDABMP CC(C)c1[nH+]ccn1CC(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019454384 207671635 /nfs/dbraw/zinc/67/16/35/207671635.db2.gz RGVAFBIASYYPFW-INIZCTEOSA-N 2 1 354.458 1.806 40 0 FDABMP CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019523571 518814807 /nfs/dbraw/zinc/81/48/07/518814807.db2.gz VCFMLOZEDKKRPH-RHSMWYFYSA-N 2 1 368.485 1.881 40 0 FDABMP CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1 ZINC000019523569 518815356 /nfs/dbraw/zinc/81/53/56/518815356.db2.gz VCFMLOZEDKKRPH-PBHICJAKSA-N 2 1 368.485 1.881 40 0 FDABMP C[NH+](C)CCN1CC[C@]2(C[N@H+]([C@@H]3CCOC3)C[C@H]2c2ccccc2)C1=O ZINC000096201882 209133187 /nfs/dbraw/zinc/13/31/87/209133187.db2.gz CWIYFXSQUQAHJL-SVFBPWRDSA-N 2 1 357.498 1.655 40 0 FDABMP Cc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc([C@@H]2CCC[NH2+]2)[nH+]1 ZINC000019697998 518826255 /nfs/dbraw/zinc/82/62/55/518826255.db2.gz VASIHLVMCITSLB-SFHVURJKSA-N 3 1 357.502 1.559 40 0 FDABMP COC(=O)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CC[NH+](C)CC2)COC1 ZINC000096112745 525135657 /nfs/dbraw/zinc/13/56/57/525135657.db2.gz XCKOBXCTLDWNCX-HNNXBMFYSA-N 2 1 358.442 1.578 40 0 biogenic,in-vitro FDABMP CNC(=O)[C@@H](C1CCCCC1)[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000096112998 222030457 /nfs/dbraw/zinc/03/04/57/222030457.db2.gz VXJIWMPQMKYLGG-ZWKOTPCHSA-N 2 1 364.534 1.358 40 0 biogenic,in-vitro FDABMP Cc1cccc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCN(C)CC3)CC2)c1 ZINC000044913701 522019126 /nfs/dbraw/zinc/01/91/26/522019126.db2.gz MDHYXQGWHLQKJY-UHFFFAOYSA-N 2 1 372.557 1.961 40 0 FDABMP Cc1[nH+]ccn1CC(=O)N1CC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257239902 223033540 /nfs/dbraw/zinc/03/35/40/223033540.db2.gz HRHOWNZKDGZRNG-HXUWFJFHSA-N 2 1 354.454 1.213 40 0 FDABMP Cc1[nH+]ccn1CC(=O)N1CC[C@@](O)(C[N@H+]2CCc3ccccc3C2)C1 ZINC000257239902 223033542 /nfs/dbraw/zinc/03/35/42/223033542.db2.gz HRHOWNZKDGZRNG-HXUWFJFHSA-N 2 1 354.454 1.213 40 0 FDABMP CC(=O)Nc1ccc2c(c1)nc1n2[C@@H](C[NH2+]C2CC[NH+](C)CC2)COC1 ZINC000096112765 222029655 /nfs/dbraw/zinc/02/96/55/222029655.db2.gz HBFYMPYXDDBBKG-INIZCTEOSA-N 2 1 357.458 1.750 40 0 biogenic,in-vitro FDABMP C[N@@H+](Cc1ccco1)C[C@@H]1CC[C@]2(COCC[NH+]([C@@H]3CCOC3)C2)O1 ZINC000248021441 537163598 /nfs/dbraw/zinc/16/35/98/537163598.db2.gz FOXYSEKAGOZVIK-NEWSRXKRSA-N 2 1 350.459 1.750 40 0 FDABMP C[N@H+](Cc1ccco1)C[C@@H]1CC[C@]2(COCC[NH+]([C@@H]3CCOC3)C2)O1 ZINC000248021441 537163600 /nfs/dbraw/zinc/16/36/00/537163600.db2.gz FOXYSEKAGOZVIK-NEWSRXKRSA-N 2 1 350.459 1.750 40 0 FDABMP C[NH+](Cc1ccco1)C[C@@H]1CC[C@]2(COCC[N@@H+]([C@@H]3CCOC3)C2)O1 ZINC000248021441 537163602 /nfs/dbraw/zinc/16/36/02/537163602.db2.gz FOXYSEKAGOZVIK-NEWSRXKRSA-N 2 1 350.459 1.750 40 0 FDABMP C[NH+](Cc1ccco1)C[C@@H]1CC[C@]2(COCC[N@H+]([C@@H]3CCOC3)C2)O1 ZINC000248021441 537163604 /nfs/dbraw/zinc/16/36/04/537163604.db2.gz FOXYSEKAGOZVIK-NEWSRXKRSA-N 2 1 350.459 1.750 40 0 FDABMP C[NH+]1CCN(Cc2nc(C3(O)CC[NH+](CC4CC4)CC3)cs2)CC1 ZINC000225472185 537550143 /nfs/dbraw/zinc/55/01/43/537550143.db2.gz IXMBHNDWQKOIDN-UHFFFAOYSA-N 2 1 350.532 1.584 40 0 biogenic,in-vitro FDABMP CCc1[nH+]ccn1CC(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257234850 529759878 /nfs/dbraw/zinc/75/98/78/529759878.db2.gz GVIYIZWSNOJMOE-MRXNPFEDSA-N 2 1 356.417 1.140 40 0 FDABMP COC[C@H]1CC2(C[N@H+]1CC(=O)N(C)C)CC[NH+](C1CCOCC1)CC2 ZINC000096217472 222081594 /nfs/dbraw/zinc/08/15/94/222081594.db2.gz OZSCGBYQZUKJMN-QGZVFWFLSA-N 2 1 353.507 1.057 40 0 FDABMP CN(C)C(=O)[C@@]12CCC3(CC[NH+](Cc4cnn(C)c4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000097952833 222217670 /nfs/dbraw/zinc/21/76/70/222217670.db2.gz OAUFTIGUYBJIMP-FXAWDEMLSA-N 2 1 359.518 1.432 40 0 FDABMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2)[C@H]1O ZINC000585280792 551578079 /nfs/dbraw/zinc/57/80/79/551578079.db2.gz PBZLEJPDAVLGTA-QRVBRYPASA-N 2 1 356.470 1.579 40 0 FDABMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2)[C@H]1O ZINC000585280792 551578083 /nfs/dbraw/zinc/57/80/83/551578083.db2.gz PBZLEJPDAVLGTA-QRVBRYPASA-N 2 1 356.470 1.579 40 0 FDABMP CCc1[nH+]ccn1CC(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257234849 571152868 /nfs/dbraw/zinc/15/28/68/571152868.db2.gz GVIYIZWSNOJMOE-INIZCTEOSA-N 2 1 356.417 1.140 40 0 FDABMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[NH+](C)C4)C2)C1 ZINC000019496502 518813078 /nfs/dbraw/zinc/81/30/78/518813078.db2.gz GAHSAUULUXXIID-IAGOWNOFSA-N 2 1 371.529 1.902 40 0 FDABMP C[C@@H]1CCC[NH+](CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)C1 ZINC000019496502 518813086 /nfs/dbraw/zinc/81/30/86/518813086.db2.gz GAHSAUULUXXIID-IAGOWNOFSA-N 2 1 371.529 1.902 40 0 FDABMP C[C@@H]1CCC[NH+](CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)C1 ZINC000019496502 518813097 /nfs/dbraw/zinc/81/30/97/518813097.db2.gz GAHSAUULUXXIID-IAGOWNOFSA-N 2 1 371.529 1.902 40 0 FDABMP Fc1ccc(CN2CCOC[C@@]3(CC[C@@H](CN4CCOCC4)O3)C2)cc1 ZINC000247563600 537135050 /nfs/dbraw/zinc/13/50/50/537135050.db2.gz ZNOUBTJUXXVMAQ-VQTJNVASSA-N 2 1 364.461 1.908 40 0 FDABMP C[C@@H]1CCCC[N@H+]1CC(=O)NCCn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000257311410 571215988 /nfs/dbraw/zinc/21/59/88/571215988.db2.gz UJHWMOPKEZRGQK-CVEARBPZSA-N 2 1 370.501 1.499 40 0 FDABMP CS(=O)(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@H+]1CCc2ccccc2C1 ZINC000012602411 291041873 /nfs/dbraw/zinc/04/18/73/291041873.db2.gz QWIUHMXLXYWALV-YTQUADARSA-N 2 1 363.527 1.304 40 0 biogenic,in-vitro FDABMP COc1cccc(C[N@H+]2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)c1 ZINC000019564740 211233836 /nfs/dbraw/zinc/23/38/36/211233836.db2.gz HFFOXCDTMBBQSS-HNNXBMFYSA-N 2 1 352.442 1.783 40 0 FDABMP CC[N@H+](Cc1ccncc1)C[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000257250648 528861295 /nfs/dbraw/zinc/86/12/95/528861295.db2.gz JNKMYPMGAWBIRZ-LJQANCHMSA-N 2 1 357.458 1.072 40 0 FDABMP CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000257250648 528861301 /nfs/dbraw/zinc/86/13/01/528861301.db2.gz JNKMYPMGAWBIRZ-LJQANCHMSA-N 2 1 357.458 1.072 40 0 FDABMP O=C(C[C@@H]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2O1)NCC[NH+]1CCCC1 ZINC000096220723 222083468 /nfs/dbraw/zinc/08/34/68/222083468.db2.gz BTOKIRQDPUBCBD-GBESFXJTSA-N 2 1 358.486 1.273 40 0 FDABMP Cc1ccc(C[N@@H+]2CCO[C@]3(C2)COCCN(CC[NH+](C)C)C3)s1 ZINC000096229386 222091599 /nfs/dbraw/zinc/09/15/99/222091599.db2.gz AWYHNNIXIJOMKF-GOSISDBHSA-N 2 1 353.532 1.521 40 0 FDABMP Cc1ccc(C[N@H+]2CCO[C@]3(C2)COCCN(CC[NH+](C)C)C3)s1 ZINC000096229386 222091602 /nfs/dbraw/zinc/09/16/02/222091602.db2.gz AWYHNNIXIJOMKF-GOSISDBHSA-N 2 1 353.532 1.521 40 0 FDABMP CCn1cc(C[NH+]2CCC3(C[N@@H+](CCOC)C[C@H]3COC)CC2)cn1 ZINC000585103258 551571608 /nfs/dbraw/zinc/57/16/08/551571608.db2.gz NVDDCQUXPOBLNC-SFHVURJKSA-N 2 1 350.507 1.710 40 0 FDABMP C[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C)C3)CC2)C1 ZINC000013084594 220057446 /nfs/dbraw/zinc/05/74/46/220057446.db2.gz PXZFTQIYTKXVSW-QZTJIDSGSA-N 2 1 364.534 1.121 40 0 FDABMP COc1ccc(C[N@H+]2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019554905 220272040 /nfs/dbraw/zinc/27/20/40/220272040.db2.gz KUSZROZRACRELO-HNNXBMFYSA-N 2 1 352.442 1.783 40 0 FDABMP Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NCC[NH+](C)C)N(C)[C@H]3C2)s1 ZINC000096182618 222069590 /nfs/dbraw/zinc/06/95/90/222069590.db2.gz DLMDTIOQUHLTQL-OIISXLGYSA-N 2 1 350.532 1.239 40 0 FDABMP CCc1[nH+]ccn1CC(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019523514 220266170 /nfs/dbraw/zinc/26/61/70/220266170.db2.gz VDKGQIMQXSUFEZ-CQSZACIVSA-N 2 1 354.458 1.287 40 0 FDABMP CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCc2nc([C@H]3CCC[NH2+]3)ncc2C1 ZINC000019523572 220266683 /nfs/dbraw/zinc/26/66/83/220266683.db2.gz VCFMLOZEDKKRPH-WMLDXEAASA-N 2 1 368.485 1.881 40 0 FDABMP COc1ccc(C[N@H+]2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1 ZINC000019554901 220271854 /nfs/dbraw/zinc/27/18/54/220271854.db2.gz KUSZROZRACRELO-OAHLLOKOSA-N 2 1 352.442 1.783 40 0 FDABMP COc1cccc(C[N@H+]2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)c1 ZINC000019564736 220273987 /nfs/dbraw/zinc/27/39/87/220273987.db2.gz HFFOXCDTMBBQSS-OAHLLOKOSA-N 2 1 352.442 1.783 40 0 FDABMP CCc1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)o1 ZINC000096255674 132224538 /nfs/dbraw/zinc/22/45/38/132224538.db2.gz NDSAPAMCGLAVIJ-UHFFFAOYSA-N 2 1 355.486 1.985 40 0 FDABMP CCc1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)o1 ZINC000096255674 132224539 /nfs/dbraw/zinc/22/45/39/132224539.db2.gz NDSAPAMCGLAVIJ-UHFFFAOYSA-N 2 1 355.486 1.985 40 0 FDABMP [NH3+]Cc1cccc(-c2cccnc2C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000257258697 223041773 /nfs/dbraw/zinc/04/17/73/223041773.db2.gz KVCVUIKXJZPZDQ-UHFFFAOYSA-N 2 1 354.454 1.659 40 0 FDABMP CN(C(=O)C[N@H+]1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1)C1CCCCC1 ZINC000019706297 220286013 /nfs/dbraw/zinc/28/60/13/220286013.db2.gz BKXXBWQSILVDPH-MRXNPFEDSA-N 2 1 360.506 1.352 40 0 FDABMP CN(C(=O)C[N@@H+]1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1)C1CCCCC1 ZINC000019706297 220286015 /nfs/dbraw/zinc/28/60/15/220286015.db2.gz BKXXBWQSILVDPH-MRXNPFEDSA-N 2 1 360.506 1.352 40 0 FDABMP Cc1noc(C)c1C[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC000096255676 132224591 /nfs/dbraw/zinc/22/45/91/132224591.db2.gz UABCDRQOQTWVIC-UHFFFAOYSA-N 2 1 356.474 1.434 40 0 FDABMP Cc1noc(C)c1C[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC000096255676 132224593 /nfs/dbraw/zinc/22/45/93/132224593.db2.gz UABCDRQOQTWVIC-UHFFFAOYSA-N 2 1 356.474 1.434 40 0 FDABMP C[C@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](C)C3)CC2)C1 ZINC000004895370 518316472 /nfs/dbraw/zinc/31/64/72/518316472.db2.gz PXZFTQIYTKXVSW-ROUUACIJSA-N 2 1 364.534 1.121 40 0 FDABMP Cc1ccccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC000044913698 522017866 /nfs/dbraw/zinc/01/78/66/522017866.db2.gz HRNSZOGXOYJVBA-UHFFFAOYSA-N 2 1 372.557 1.961 40 0 FDABMP CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000257250647 528861677 /nfs/dbraw/zinc/86/16/77/528861677.db2.gz JNKMYPMGAWBIRZ-IBGZPJMESA-N 2 1 357.458 1.072 40 0 FDABMP CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000257250647 528861682 /nfs/dbraw/zinc/86/16/82/528861682.db2.gz JNKMYPMGAWBIRZ-IBGZPJMESA-N 2 1 357.458 1.072 40 0 FDABMP Cc1cc(N2CCC(Nc3cc(-n4cccn4)nc(N)[nH+]3)CC2)nc(C)[nH+]1 ZINC000092919939 524932698 /nfs/dbraw/zinc/93/26/98/524932698.db2.gz XGHVBJSRNUWMFN-UHFFFAOYSA-N 2 1 365.445 1.732 40 0 FDABMP CN(C(=O)C[N@H+]1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1)C1CCCCC1 ZINC000019706296 220286175 /nfs/dbraw/zinc/28/61/75/220286175.db2.gz BKXXBWQSILVDPH-INIZCTEOSA-N 2 1 360.506 1.352 40 0 FDABMP CN(C(=O)C[N@@H+]1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1)C1CCCCC1 ZINC000019706296 220286179 /nfs/dbraw/zinc/28/61/79/220286179.db2.gz BKXXBWQSILVDPH-INIZCTEOSA-N 2 1 360.506 1.352 40 0 FDABMP CCS(=O)(=O)CC[NH+]1CCC2(C[N@H+](C)C[C@H]2COCC2CC2)CC1 ZINC000248162450 537168960 /nfs/dbraw/zinc/16/89/60/537168960.db2.gz YGPOYSWZHGFUNR-KRWDZBQOSA-N 2 1 358.548 1.492 40 0 FDABMP CCS(=O)(=O)CC[NH+]1CCC2(C[N@@H+](C)C[C@H]2COCC2CC2)CC1 ZINC000248162450 537168963 /nfs/dbraw/zinc/16/89/63/537168963.db2.gz YGPOYSWZHGFUNR-KRWDZBQOSA-N 2 1 358.548 1.492 40 0 FDABMP COC[C@H]1C[N@@H+](Cc2cccs2)CC12CCN(C(=O)C[NH+](C)C)CC2 ZINC000585102901 551571573 /nfs/dbraw/zinc/57/15/73/551571573.db2.gz HHSOBXCCIIRKBA-MRXNPFEDSA-N 2 1 365.543 1.997 40 0 FDABMP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030944538 519401269 /nfs/dbraw/zinc/40/12/69/519401269.db2.gz WYCOUTWNJCCALD-SFHVURJKSA-N 2 1 363.477 1.876 40 0 FDABMP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030944538 519401274 /nfs/dbraw/zinc/40/12/74/519401274.db2.gz WYCOUTWNJCCALD-SFHVURJKSA-N 2 1 363.477 1.876 40 0 FDABMP Cc1[nH+]ccn1CC(=O)N1CC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1 ZINC000257239901 223033164 /nfs/dbraw/zinc/03/31/64/223033164.db2.gz HRHOWNZKDGZRNG-FQEVSTJZSA-N 2 1 354.454 1.213 40 0 FDABMP Cc1[nH+]ccn1CC(=O)N1CC[C@](O)(C[N@H+]2CCc3ccccc3C2)C1 ZINC000257239901 223033166 /nfs/dbraw/zinc/03/31/66/223033166.db2.gz HRHOWNZKDGZRNG-FQEVSTJZSA-N 2 1 354.454 1.213 40 0 FDABMP