smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC000218726718 241341557 /nfs/dbraw/zinc/34/15/57/241341557.db2.gz HGQQMBODEQHCBM-UHFFFAOYSA-N 1 1 348.406 2.288 50 70 EEIAMO CN(Cc1nc2ccccc2s1)C(=O)CC[N@@H+](C)[C@@H]1CCN(C)C1 ZINC000217194447 241241496 /nfs/dbraw/zinc/24/14/96/241241496.db2.gz UHBUUPDBVGOJEM-CQSZACIVSA-N 1 1 346.500 2.281 50 70 EEIAMO CN(Cc1nc2ccccc2s1)C(=O)CCN(C)[C@@H]1CC[N@H+](C)C1 ZINC000217194447 241241508 /nfs/dbraw/zinc/24/15/08/241241508.db2.gz UHBUUPDBVGOJEM-CQSZACIVSA-N 1 1 346.500 2.281 50 70 EEIAMO CN(Cc1nc2ccccc2s1)C(=O)CCN(C)[C@@H]1CC[N@@H+](C)C1 ZINC000217194447 241241516 /nfs/dbraw/zinc/24/15/16/241241516.db2.gz UHBUUPDBVGOJEM-CQSZACIVSA-N 1 1 346.500 2.281 50 70 EEIAMO OC[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1cc3ccccc3o1)C2 ZINC000218767247 241343103 /nfs/dbraw/zinc/34/31/03/241343103.db2.gz MTPDJNOIHSBJSS-KRWDZBQOSA-N 1 1 327.384 2.061 50 70 EEIAMO OC[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cc3ccccc3o1)C2 ZINC000218767247 241343111 /nfs/dbraw/zinc/34/31/11/241343111.db2.gz MTPDJNOIHSBJSS-KRWDZBQOSA-N 1 1 327.384 2.061 50 70 EEIAMO Cc1cc(=O)c(O)c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)o1 ZINC000218273976 241311530 /nfs/dbraw/zinc/31/15/30/241311530.db2.gz KVTYBJIKWFUWLT-ZDUSSCGKSA-N 1 1 340.383 2.076 50 70 EEIAMO Cc1cc(=O)c(O)c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)o1 ZINC000218273976 241311538 /nfs/dbraw/zinc/31/15/38/241311538.db2.gz KVTYBJIKWFUWLT-ZDUSSCGKSA-N 1 1 340.383 2.076 50 70 EEIAMO C[NH+](C)[C@H](C(=O)NCCc1noc(C2CCC2)n1)c1cccc(F)c1 ZINC000217077493 241236964 /nfs/dbraw/zinc/23/69/64/241236964.db2.gz WDPBLURHZQCTNV-INIZCTEOSA-N 1 1 346.406 2.438 50 70 EEIAMO Nc1nc(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cs1 ZINC000218366364 241318370 /nfs/dbraw/zinc/31/83/70/241318370.db2.gz YZSFBYOIHGIHDR-INIZCTEOSA-N 1 1 344.484 2.439 50 70 EEIAMO CCCCc1nc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)c[nH]1 ZINC000217175507 535100694 /nfs/dbraw/zinc/10/06/94/535100694.db2.gz GDLJTPPCQJAHJI-LJQANCHMSA-N 1 1 342.487 2.431 50 70 EEIAMO CCCCc1ncc(CN2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)[nH]1 ZINC000217175507 535100696 /nfs/dbraw/zinc/10/06/96/535100696.db2.gz GDLJTPPCQJAHJI-LJQANCHMSA-N 1 1 342.487 2.431 50 70 EEIAMO CCCCc1ncc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)[nH]1 ZINC000217175507 535100699 /nfs/dbraw/zinc/10/06/99/535100699.db2.gz GDLJTPPCQJAHJI-LJQANCHMSA-N 1 1 342.487 2.431 50 70 EEIAMO O[C@H](c1cc2n(n1)CCN(c1[nH+]cnc3[nH]ccc31)C2)c1ccccc1 ZINC000217561564 241259593 /nfs/dbraw/zinc/25/95/93/241259593.db2.gz LCMDYICUHFMSTG-KRWDZBQOSA-N 1 1 346.394 2.256 50 70 EEIAMO O=C(NCC[N@H+]1CCc2ccccc2C1)[C@@H](O)c1cccc(F)c1 ZINC000218324073 241316225 /nfs/dbraw/zinc/31/62/25/241316225.db2.gz QSSDWSQOCPFSGW-SFHVURJKSA-N 1 1 328.387 2.034 50 70 EEIAMO O=C(NCCC[NH+]1CCOCC1)c1cnc2c(Cl)cccc2c1O ZINC000218293895 241312359 /nfs/dbraw/zinc/31/23/59/241312359.db2.gz PARFMXKDZDMULQ-UHFFFAOYSA-N 1 1 349.818 2.046 50 70 EEIAMO C[N@@H+]1CCN(C(=O)CCCN2CCCCC2=O)C[C@H]1c1ccccc1 ZINC000217146294 536401976 /nfs/dbraw/zinc/40/19/76/536401976.db2.gz FRZGXFGFXPUJDH-SFHVURJKSA-N 1 1 343.471 2.294 50 70 EEIAMO C[N@H+]1CCN(C(=O)CCCN2CCCCC2=O)C[C@H]1c1ccccc1 ZINC000217146294 536401980 /nfs/dbraw/zinc/40/19/80/536401980.db2.gz FRZGXFGFXPUJDH-SFHVURJKSA-N 1 1 343.471 2.294 50 70 EEIAMO Cn1ncc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1-n1cccc1 ZINC000217814830 241277853 /nfs/dbraw/zinc/27/78/53/241277853.db2.gz KNHRZLCAJJLOMM-DOTOQJQBSA-N 1 1 341.459 2.205 50 70 biogenic EEIAMO CC[N@@H+](C)CC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000218450856 241324751 /nfs/dbraw/zinc/32/47/51/241324751.db2.gz XMPJQUYOGAXJEM-GSQSYGFSSA-N 1 1 327.428 2.115 50 70 EEIAMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)NCc1ccc2nonc2c1 ZINC000218260319 241310975 /nfs/dbraw/zinc/31/09/75/241310975.db2.gz LEHIDRZEAGDYSV-MRXNPFEDSA-N 1 1 336.395 2.329 50 70 EEIAMO CSc1ccc(CC(=O)N2CC[N@@H+](CC3CC3)[C@H](CCO)C2)cc1 ZINC000218214546 241306080 /nfs/dbraw/zinc/30/60/80/241306080.db2.gz QRHBMXWTTJICEM-QGZVFWFLSA-N 1 1 348.512 2.256 50 70 EEIAMO CCOc1ccc(-c2ccc(CN3CC[N@H+](C)[C@@H](CO)C3)o2)cc1 ZINC000217600361 535692938 /nfs/dbraw/zinc/69/29/38/535692938.db2.gz CRXYFIFGPSUCCO-MRXNPFEDSA-N 1 1 330.428 2.454 50 70 EEIAMO CCOc1ccc(-c2ccc(CN3CC[N@@H+](C)[C@@H](CO)C3)o2)cc1 ZINC000217600361 535692939 /nfs/dbraw/zinc/69/29/39/535692939.db2.gz CRXYFIFGPSUCCO-MRXNPFEDSA-N 1 1 330.428 2.454 50 70 EEIAMO CCOc1ccc(-c2ccc(C[N@@H+]3CCN(C)[C@@H](CO)C3)o2)cc1 ZINC000217600361 535692940 /nfs/dbraw/zinc/69/29/40/535692940.db2.gz CRXYFIFGPSUCCO-MRXNPFEDSA-N 1 1 330.428 2.454 50 70 EEIAMO CCOc1ccc(-c2ccc(C[N@H+]3CCN(C)[C@@H](CO)C3)o2)cc1 ZINC000217600361 535692941 /nfs/dbraw/zinc/69/29/41/535692941.db2.gz CRXYFIFGPSUCCO-MRXNPFEDSA-N 1 1 330.428 2.454 50 70 EEIAMO C[N@@H+](CCNc1cc(C2CC(O)C2)ncn1)CCc1ccccc1 ZINC000218605503 241335656 /nfs/dbraw/zinc/33/56/56/241335656.db2.gz JFMTZWXIVFXFTA-UHFFFAOYSA-N 1 1 326.444 2.301 50 70 EEIAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c[nH]c(=O)c(Cl)c2)cc1 ZINC000216934125 241225613 /nfs/dbraw/zinc/22/56/13/241225613.db2.gz AZTWLMDAGPTPMF-UHFFFAOYSA-N 1 1 342.786 2.452 50 70 EEIAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc3n[nH]nc3c2)cc1 ZINC000217017874 241229067 /nfs/dbraw/zinc/22/90/67/241229067.db2.gz BBUJHFWNNJADFQ-UHFFFAOYSA-N 1 1 332.367 2.382 50 70 EEIAMO Cc1cc(-n2cccn2)ccc1C[N@H+](C)C[C@@H](C)N1CCOCC1 ZINC000218659363 241337290 /nfs/dbraw/zinc/33/72/90/241337290.db2.gz HNJGWKAVOXMKOY-QGZVFWFLSA-N 1 1 328.460 2.333 50 70 EEIAMO O=C(c1ccc(O)c(Cl)c1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000218780488 241345540 /nfs/dbraw/zinc/34/55/40/241345540.db2.gz OGZKRWPVPGHXAY-UHFFFAOYSA-N 1 1 338.835 2.109 50 70 EEIAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc2c1cccc2NC(C)=O ZINC000218365957 241317604 /nfs/dbraw/zinc/31/76/04/241317604.db2.gz LEQDVOWENKUMNQ-HNNXBMFYSA-N 1 1 342.443 2.200 50 70 EEIAMO CCOc1cccc(OCC[N@@H+]2CCCn3nc(CO)cc3C2)c1 ZINC000217206850 241240335 /nfs/dbraw/zinc/24/03/35/241240335.db2.gz CSWZZDUOAJDTEO-UHFFFAOYSA-N 1 1 331.416 2.059 50 70 EEIAMO CCOc1cccc(OCC[N@H+]2CCCn3nc(CO)cc3C2)c1 ZINC000217206850 241240342 /nfs/dbraw/zinc/24/03/42/241240342.db2.gz CSWZZDUOAJDTEO-UHFFFAOYSA-N 1 1 331.416 2.059 50 70 EEIAMO Cc1cc(=O)c(O)c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)o1 ZINC000218274037 241310904 /nfs/dbraw/zinc/31/09/04/241310904.db2.gz KVTYBJIKWFUWLT-CYBMUJFWSA-N 1 1 340.383 2.076 50 70 EEIAMO Cc1cc(=O)c(O)c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)o1 ZINC000218274037 241310907 /nfs/dbraw/zinc/31/09/07/241310907.db2.gz KVTYBJIKWFUWLT-CYBMUJFWSA-N 1 1 340.383 2.076 50 70 EEIAMO CC1(C)Cc2cc(C[N@@H+]3CCCn4nc(CO)cc4C3)ccc2O1 ZINC000217383470 534946917 /nfs/dbraw/zinc/94/69/17/534946917.db2.gz KQLFSWWBRUPCNI-UHFFFAOYSA-N 1 1 327.428 2.495 50 70 EEIAMO CC1(C)Cc2cc(C[N@H+]3CCCn4nc(CO)cc4C3)ccc2O1 ZINC000217383470 534946925 /nfs/dbraw/zinc/94/69/25/534946925.db2.gz KQLFSWWBRUPCNI-UHFFFAOYSA-N 1 1 327.428 2.495 50 70 EEIAMO CCc1nnc(CN(C)C(=O)[C@@H]2Cc3ccccc3C[N@H+]2CC)o1 ZINC000218280601 241310249 /nfs/dbraw/zinc/31/02/49/241310249.db2.gz PEZWRXHLRAVYAU-HNNXBMFYSA-N 1 1 328.416 2.037 50 70 EEIAMO CCc1nnc(CN(C)C(=O)[C@@H]2Cc3ccccc3C[N@@H+]2CC)o1 ZINC000218280601 241310253 /nfs/dbraw/zinc/31/02/53/241310253.db2.gz PEZWRXHLRAVYAU-HNNXBMFYSA-N 1 1 328.416 2.037 50 70 EEIAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)cc(C)n(CC2CC2)c1=O ZINC000218445399 535567587 /nfs/dbraw/zinc/56/75/87/535567587.db2.gz MVHZDAXDSSXBQH-MRXNPFEDSA-N 1 1 331.460 2.089 50 70 EEIAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2c1cccc2NC(C)=O ZINC000218365874 241317484 /nfs/dbraw/zinc/31/74/84/241317484.db2.gz LEQDVOWENKUMNQ-OAHLLOKOSA-N 1 1 342.443 2.200 50 70 EEIAMO CC(C)(C)NC(=O)COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)cc1 ZINC000217613060 241263923 /nfs/dbraw/zinc/26/39/23/241263923.db2.gz YKEZFISMFFOFPD-MNZLEMJZSA-N 1 1 346.471 2.183 50 70 EEIAMO CCCOc1c(CN2CC[N@H+](C)[C@@H](CO)C2)cc(Cl)cc1OC ZINC000217187927 241242479 /nfs/dbraw/zinc/24/24/79/241242479.db2.gz ROYMGJKMVTWHKC-OAHLLOKOSA-N 1 1 342.867 2.246 50 70 EEIAMO CCCOc1c(CN2CC[N@@H+](C)[C@@H](CO)C2)cc(Cl)cc1OC ZINC000217187927 241242485 /nfs/dbraw/zinc/24/24/85/241242485.db2.gz ROYMGJKMVTWHKC-OAHLLOKOSA-N 1 1 342.867 2.246 50 70 EEIAMO Cc1ccc(F)cc1CC(=O)N1CC[N@H+](CC(C)C)[C@H](CCO)C1 ZINC000218558091 241330711 /nfs/dbraw/zinc/33/07/11/241330711.db2.gz VRXGVGZAOHKLOK-GOSISDBHSA-N 1 1 336.451 2.228 50 70 EEIAMO CN1CC[N@@H+](C)C[C@@H]1Cc1ncnn1-c1cccc(C(F)(F)F)c1 ZINC000217862879 241279951 /nfs/dbraw/zinc/27/99/51/241279951.db2.gz FFCXLYANUYPQNO-AWEZNQCLSA-N 1 1 339.365 2.074 50 70 EEIAMO O=C(N[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1cnc2ccccc2n1 ZINC000218247490 241309114 /nfs/dbraw/zinc/30/91/14/241309114.db2.gz FTJQZEFVAQBAKT-MRXNPFEDSA-N 1 1 347.422 2.419 50 70 EEIAMO O=C(N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cnc2ccccc2n1 ZINC000218247490 241309119 /nfs/dbraw/zinc/30/91/19/241309119.db2.gz FTJQZEFVAQBAKT-MRXNPFEDSA-N 1 1 347.422 2.419 50 70 EEIAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(OCCn3ccnc3)cc1)C2 ZINC000217461814 241250666 /nfs/dbraw/zinc/25/06/66/241250666.db2.gz YPHFSBMCVOHOBM-RBUKOAKNSA-N 1 1 340.471 2.488 50 70 EEIAMO CSc1ccc(CC(=O)N2CC[N@@H+](CC3CC3)[C@@H](CCO)C2)cc1 ZINC000218214484 241305074 /nfs/dbraw/zinc/30/50/74/241305074.db2.gz QRHBMXWTTJICEM-KRWDZBQOSA-N 1 1 348.512 2.256 50 70 EEIAMO Cc1cc(C)n(C2CN(C(=O)C[N@H+]3CC[C@H](c4ccccc4)C3)C2)n1 ZINC000218348882 241314917 /nfs/dbraw/zinc/31/49/17/241314917.db2.gz JYPPASFILCMGSL-SFHVURJKSA-N 1 1 338.455 2.373 50 70 EEIAMO O=C(NCCC[NH+]1CCOCC1)c1cnc2cc(Cl)ccc2c1O ZINC000218378157 241317393 /nfs/dbraw/zinc/31/73/93/241317393.db2.gz YSXPYLQDBYIPCD-UHFFFAOYSA-N 1 1 349.818 2.046 50 70 EEIAMO O[C@@H]1CN(CCC(F)(F)F)CC[N@H+](C2Cc3ccccc3C2)C1 ZINC000216962262 241229840 /nfs/dbraw/zinc/22/98/40/241229840.db2.gz NCLYJVAUWYCIEP-MRXNPFEDSA-N 1 1 328.378 2.085 50 70 EEIAMO Cc1cccc([C@H](C(=O)N2CCC3(CCC(=O)NC3)CC2)[NH+](C)C)c1 ZINC000217666376 302027949 /nfs/dbraw/zinc/02/79/49/302027949.db2.gz HLOHPWHKCXRZMJ-GOSISDBHSA-N 1 1 343.471 2.117 50 70 EEIAMO O=C(C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)c1cccnc1 ZINC000216983313 241230874 /nfs/dbraw/zinc/23/08/74/241230874.db2.gz WPMVYBXTDVYCQL-UHFFFAOYSA-N 1 1 349.434 2.314 50 70 EEIAMO O[C@@H](c1cc2n(n1)CCC[N@@H+](C1CSCCSC1)C2)C1CC1 ZINC000218213767 241306516 /nfs/dbraw/zinc/30/65/16/241306516.db2.gz KBEJDORLJXKTSP-MRXNPFEDSA-N 1 1 339.530 2.381 50 70 EEIAMO O[C@@H](c1cc2n(n1)CCC[N@H+](C1CSCCSC1)C2)C1CC1 ZINC000218213767 241306521 /nfs/dbraw/zinc/30/65/21/241306521.db2.gz KBEJDORLJXKTSP-MRXNPFEDSA-N 1 1 339.530 2.381 50 70 EEIAMO Cc1ccc(F)cc1CC(=O)N1CC[N@H+](CC(C)C)[C@@H](CCO)C1 ZINC000218558017 241331678 /nfs/dbraw/zinc/33/16/78/241331678.db2.gz VRXGVGZAOHKLOK-SFHVURJKSA-N 1 1 336.451 2.228 50 70 EEIAMO Cc1cccc([C@@H](C(=O)N2CCC3(CCC(=O)NC3)CC2)[NH+](C)C)c1 ZINC000217666289 485531183 /nfs/dbraw/zinc/53/11/83/485531183.db2.gz HLOHPWHKCXRZMJ-SFHVURJKSA-N 1 1 343.471 2.117 50 70 EEIAMO CCc1[nH+]ccn1CCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000217196542 241242539 /nfs/dbraw/zinc/24/25/39/241242539.db2.gz BHBAAWMMOKXLMX-CYBMUJFWSA-N 1 1 329.400 2.484 50 70 EEIAMO Cn1c(CN2CCCCC2)cc(=O)c(O)c1C[NH+]1CCCCCC1 ZINC000218520166 241328790 /nfs/dbraw/zinc/32/87/90/241328790.db2.gz AVBDOWLHOFATER-UHFFFAOYSA-N 1 1 333.476 2.453 50 70 EEIAMO CCc1[nH+]ccn1CCC(=O)NCCCn1ncc2ccccc21 ZINC000218326639 241314856 /nfs/dbraw/zinc/31/48/56/241314856.db2.gz LKGLHLMIQOLIKC-UHFFFAOYSA-N 1 1 325.416 2.392 50 70 EEIAMO O[C@H]1CN(Cc2nnc(-c3ccccc3)o2)CC[N@H+](C2CCCC2)C1 ZINC000217115060 241234901 /nfs/dbraw/zinc/23/49/01/241234901.db2.gz ZVEIZQNWORUTSP-KRWDZBQOSA-N 1 1 342.443 2.158 50 70 EEIAMO CN1CC[N@@H+](CC(C)(C)CN2CCOCC2)C[C@@H]1c1ccccc1 ZINC000217201988 241240458 /nfs/dbraw/zinc/24/04/58/241240458.db2.gz BWJDYMSFGZOGQC-LJQANCHMSA-N 1 1 331.504 2.334 50 70 EEIAMO COc1ccc(-n2cccn2)c(C[N@@H+](C)C[C@H](C)N2CCOCC2)c1 ZINC000218541737 295051982 /nfs/dbraw/zinc/05/19/82/295051982.db2.gz NSPIAQSSPUQGKO-INIZCTEOSA-N 1 1 344.459 2.033 50 70 EEIAMO Cn1ccnc1[C@H](O)c1cc2n(n1)CC[N@H+](C/C=C/c1ccccc1)C2 ZINC000218271427 241310822 /nfs/dbraw/zinc/31/08/22/241310822.db2.gz KEPIVLULEWCBKI-MTCRFPMVSA-N 1 1 349.438 2.227 50 70 EEIAMO Cn1ccnc1[C@H](O)c1cc2n(n1)CC[N@@H+](C/C=C/c1ccccc1)C2 ZINC000218271427 241310826 /nfs/dbraw/zinc/31/08/26/241310826.db2.gz KEPIVLULEWCBKI-MTCRFPMVSA-N 1 1 349.438 2.227 50 70 EEIAMO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000217439855 241250859 /nfs/dbraw/zinc/25/08/59/241250859.db2.gz GZYQTHMHNVTYJQ-OAHLLOKOSA-N 1 1 343.431 2.016 50 70 EEIAMO CN(Cc1nc2ccccc2s1)C(=O)CC[N@@H+](C)[C@H]1CCN(C)C1 ZINC000217194454 241242498 /nfs/dbraw/zinc/24/24/98/241242498.db2.gz UHBUUPDBVGOJEM-AWEZNQCLSA-N 1 1 346.500 2.281 50 70 EEIAMO CN(Cc1nc2ccccc2s1)C(=O)CCN(C)[C@H]1CC[N@H+](C)C1 ZINC000217194454 241242504 /nfs/dbraw/zinc/24/25/04/241242504.db2.gz UHBUUPDBVGOJEM-AWEZNQCLSA-N 1 1 346.500 2.281 50 70 EEIAMO CN(Cc1nc2ccccc2s1)C(=O)CCN(C)[C@H]1CC[N@@H+](C)C1 ZINC000217194454 241242506 /nfs/dbraw/zinc/24/25/06/241242506.db2.gz UHBUUPDBVGOJEM-AWEZNQCLSA-N 1 1 346.500 2.281 50 70 EEIAMO C[NH+](C)[C@@H](C(=O)NCCc1noc(C2CCC2)n1)c1cccc(F)c1 ZINC000217077463 241235555 /nfs/dbraw/zinc/23/55/55/241235555.db2.gz WDPBLURHZQCTNV-MRXNPFEDSA-N 1 1 346.406 2.438 50 70 EEIAMO Cc1[nH+]ccn1CCC(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000217392914 241245811 /nfs/dbraw/zinc/24/58/11/241245811.db2.gz GJFICQZBBDBZHK-UHFFFAOYSA-N 1 1 339.399 2.072 50 70 EEIAMO O[C@H](c1cc2n(n1)CCC[N@@H+](C1CSCCSC1)C2)C1CC1 ZINC000218213857 241305982 /nfs/dbraw/zinc/30/59/82/241305982.db2.gz KBEJDORLJXKTSP-INIZCTEOSA-N 1 1 339.530 2.381 50 70 EEIAMO O[C@H](c1cc2n(n1)CCC[N@H+](C1CSCCSC1)C2)C1CC1 ZINC000218213857 241305986 /nfs/dbraw/zinc/30/59/86/241305986.db2.gz KBEJDORLJXKTSP-INIZCTEOSA-N 1 1 339.530 2.381 50 70 EEIAMO CCc1nnc(CN(C)C(=O)[C@H]2Cc3ccccc3C[N@H+]2CC)o1 ZINC000218280663 241311614 /nfs/dbraw/zinc/31/16/14/241311614.db2.gz PEZWRXHLRAVYAU-OAHLLOKOSA-N 1 1 328.416 2.037 50 70 EEIAMO CCc1nnc(CN(C)C(=O)[C@H]2Cc3ccccc3C[N@@H+]2CC)o1 ZINC000218280663 241311619 /nfs/dbraw/zinc/31/16/19/241311619.db2.gz PEZWRXHLRAVYAU-OAHLLOKOSA-N 1 1 328.416 2.037 50 70 EEIAMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)NCc1ccc2nonc2c1 ZINC000218260377 241311710 /nfs/dbraw/zinc/31/17/10/241311710.db2.gz LEHIDRZEAGDYSV-INIZCTEOSA-N 1 1 336.395 2.329 50 70 EEIAMO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000217439944 241250408 /nfs/dbraw/zinc/25/04/08/241250408.db2.gz GZYQTHMHNVTYJQ-HNNXBMFYSA-N 1 1 343.431 2.016 50 70 EEIAMO Nc1nc(CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cs1 ZINC000218366420 241318566 /nfs/dbraw/zinc/31/85/66/241318566.db2.gz YZSFBYOIHGIHDR-MRXNPFEDSA-N 1 1 344.484 2.439 50 70 EEIAMO CCO[C@H]1C[N@H+](C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@@H]1O ZINC000218392699 535634935 /nfs/dbraw/zinc/63/49/35/535634935.db2.gz CAGPCLBMRAJKSE-PMACEKPBSA-N 1 1 330.472 2.226 50 70 EEIAMO Cc1cc(=O)c(O)c(C[NH+]2CCC(c3nnc4ccccn43)CC2)o1 ZINC000218425570 241321241 /nfs/dbraw/zinc/32/12/41/241321241.db2.gz CWZDTRSLYGWZMU-UHFFFAOYSA-N 1 1 340.383 2.076 50 70 EEIAMO CCc1[nH+]ccn1CCC(=O)NC[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000217915093 241283981 /nfs/dbraw/zinc/28/39/81/241283981.db2.gz FWXWETOUFFELHQ-AWEZNQCLSA-N 1 1 340.427 2.102 50 70 EEIAMO COc1ccc(-n2cccn2)c(C[N@@H+](C)C[C@@H](C)N2CCOCC2)c1 ZINC000218541666 464108376 /nfs/dbraw/zinc/10/83/76/464108376.db2.gz NSPIAQSSPUQGKO-MRXNPFEDSA-N 1 1 344.459 2.033 50 70 EEIAMO CCn1ccc2c1cccc2C[N@H+]1CCC[C@H]1C(=O)N1CCOCC1 ZINC000217173718 241239219 /nfs/dbraw/zinc/23/92/19/241239219.db2.gz KMUMVDICVSYFJV-IBGZPJMESA-N 1 1 341.455 2.484 50 70 EEIAMO CC[N@@H+](C)CC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000218450950 241324115 /nfs/dbraw/zinc/32/41/15/241324115.db2.gz XMPJQUYOGAXJEM-KJXMEXGPSA-N 1 1 327.428 2.115 50 70 EEIAMO CCc1[nH+]ccn1CCC(=O)NC[C@H]1CC(=O)N(C)c2ccccc21 ZINC000217915162 241282677 /nfs/dbraw/zinc/28/26/77/241282677.db2.gz FWXWETOUFFELHQ-CQSZACIVSA-N 1 1 340.427 2.102 50 70 EEIAMO Cn1ccnc1[C@@H](O)c1cc2n(n1)CC[N@H+](C/C=C/c1ccccc1)C2 ZINC000218271346 241310991 /nfs/dbraw/zinc/31/09/91/241310991.db2.gz KEPIVLULEWCBKI-MEQKGCOVSA-N 1 1 349.438 2.227 50 70 EEIAMO Cn1ccnc1[C@@H](O)c1cc2n(n1)CC[N@@H+](C/C=C/c1ccccc1)C2 ZINC000218271346 241310994 /nfs/dbraw/zinc/31/09/94/241310994.db2.gz KEPIVLULEWCBKI-MEQKGCOVSA-N 1 1 349.438 2.227 50 70 EEIAMO O[C@H]1CN(CCc2nc3cc(F)ccc3[nH]2)CC[N@H+](C2CCCC2)C1 ZINC000217195945 241242300 /nfs/dbraw/zinc/24/23/00/241242300.db2.gz MELPGZPGCKVPMI-INIZCTEOSA-N 1 1 346.450 2.166 50 70 EEIAMO O[C@H]1CN(CCc2nc3ccc(F)cc3[nH]2)CC[N@@H+](C2CCCC2)C1 ZINC000217195945 241242306 /nfs/dbraw/zinc/24/23/06/241242306.db2.gz MELPGZPGCKVPMI-INIZCTEOSA-N 1 1 346.450 2.166 50 70 EEIAMO O[C@H]1CN(CCc2nc3ccc(F)cc3[nH]2)CC[N@H+](C2CCCC2)C1 ZINC000217195945 241242311 /nfs/dbraw/zinc/24/23/11/241242311.db2.gz MELPGZPGCKVPMI-INIZCTEOSA-N 1 1 346.450 2.166 50 70 EEIAMO O=C(CN1Cc2ccccc2C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000217869987 241280540 /nfs/dbraw/zinc/28/05/40/241280540.db2.gz XVHLCYVSHPNGEO-MAUKXSAKSA-N 1 1 341.455 2.023 50 70 biogenic EEIAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)cc(C)n(CC2CC2)c1=O ZINC000218445469 241321529 /nfs/dbraw/zinc/32/15/29/241321529.db2.gz MVHZDAXDSSXBQH-INIZCTEOSA-N 1 1 331.460 2.089 50 70 EEIAMO Cc1cc(C)n(C2CN(C(=O)C[N@H+]3CC[C@@H](c4ccccc4)C3)C2)n1 ZINC000218348799 241315852 /nfs/dbraw/zinc/31/58/52/241315852.db2.gz JYPPASFILCMGSL-GOSISDBHSA-N 1 1 338.455 2.373 50 70 EEIAMO O=C(N[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1cnc2ccccc2n1 ZINC000218247553 241307254 /nfs/dbraw/zinc/30/72/54/241307254.db2.gz FTJQZEFVAQBAKT-INIZCTEOSA-N 1 1 347.422 2.419 50 70 EEIAMO O=C(N[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cnc2ccccc2n1 ZINC000218247553 241307266 /nfs/dbraw/zinc/30/72/66/241307266.db2.gz FTJQZEFVAQBAKT-INIZCTEOSA-N 1 1 347.422 2.419 50 70 EEIAMO OC[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1cc3ccccc3o1)C2 ZINC000218767213 241343769 /nfs/dbraw/zinc/34/37/69/241343769.db2.gz MTPDJNOIHSBJSS-QGZVFWFLSA-N 1 1 327.384 2.061 50 70 EEIAMO OC[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cc3ccccc3o1)C2 ZINC000218767213 241343772 /nfs/dbraw/zinc/34/37/72/241343772.db2.gz MTPDJNOIHSBJSS-QGZVFWFLSA-N 1 1 327.384 2.061 50 70 EEIAMO Cc1cc(-n2cccn2)ccc1C[N@H+](C)C[C@H](C)N1CCOCC1 ZINC000218659438 241336256 /nfs/dbraw/zinc/33/62/56/241336256.db2.gz HNJGWKAVOXMKOY-KRWDZBQOSA-N 1 1 328.460 2.333 50 70 EEIAMO O=C(NCC[N@H+]1CCc2ccccc2C1)[C@H](O)c1cccc(F)c1 ZINC000218324168 241314870 /nfs/dbraw/zinc/31/48/70/241314870.db2.gz QSSDWSQOCPFSGW-GOSISDBHSA-N 1 1 328.387 2.034 50 70 EEIAMO CCc1[nH+]ccn1CCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000217196534 241241748 /nfs/dbraw/zinc/24/17/48/241241748.db2.gz BHBAAWMMOKXLMX-ZDUSSCGKSA-N 1 1 329.400 2.484 50 70 EEIAMO O[C@@H](c1cc2n(n1)CCN(c1[nH+]cnc3[nH]ccc31)C2)c1ccccc1 ZINC000217561468 241259109 /nfs/dbraw/zinc/25/91/09/241259109.db2.gz LCMDYICUHFMSTG-QGZVFWFLSA-N 1 1 346.394 2.256 50 70 EEIAMO C[N@@H+]1CCN(C(=O)CCCN2CCCCC2=O)C[C@@H]1c1ccccc1 ZINC000217146283 241238226 /nfs/dbraw/zinc/23/82/26/241238226.db2.gz FRZGXFGFXPUJDH-GOSISDBHSA-N 1 1 343.471 2.294 50 70 EEIAMO C[N@H+]1CCN(C(=O)CCCN2CCCCC2=O)C[C@@H]1c1ccccc1 ZINC000217146283 241238230 /nfs/dbraw/zinc/23/82/30/241238230.db2.gz FRZGXFGFXPUJDH-GOSISDBHSA-N 1 1 343.471 2.294 50 70 EEIAMO