smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(NCCCC[NH+]2CCCCCC2)cc(C2CC(O)C2)n1 ZINC000218259678 241311282 /nfs/dbraw/zinc/31/12/82/241311282.db2.gz LWDLQXFCLRVZGK-UHFFFAOYSA-N 1 0 332.492 3.091 50 70 EGIARO Cc1nc(C2CC([NH3+])C2)cc(N2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000218626493 241334623 /nfs/dbraw/zinc/33/46/23/241334623.db2.gz HGBPCKFNUVKHFX-UHFFFAOYSA-N 1 0 338.430 3.423 50 70 EGIARO O=C(CCC(F)(F)F)N1C[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000217165883 456031586 /nfs/dbraw/zinc/03/15/86/456031586.db2.gz WXGZOVBTDIYOLE-CVEARBPZSA-N 1 0 340.389 3.452 50 70 EGIARO CSc1ccc(C(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000217912701 241284106 /nfs/dbraw/zinc/28/41/06/241284106.db2.gz MTQGOCFHXCFSBI-KRWDZBQOSA-N 1 0 348.512 3.126 50 70 EGIARO O=C(NC[C@H]1CCCCO1)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000217093326 241235980 /nfs/dbraw/zinc/23/59/80/241235980.db2.gz OLZYMWZNVCUHLG-LJQANCHMSA-N 1 0 330.472 3.362 50 70 EGIARO CCOc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)cc(Cl)c1OCC ZINC000217054050 241233053 /nfs/dbraw/zinc/23/30/53/241233053.db2.gz NSKOSMAMLYXILJ-HALDLXJZSA-N 1 0 339.863 3.340 50 70 EGIARO OC1(c2ccccc2)CC[NH+](Cc2ccccc2Cn2cccn2)CC1 ZINC000218709491 241340621 /nfs/dbraw/zinc/34/06/21/241340621.db2.gz ADVCMRUESFPWKU-UHFFFAOYSA-N 1 0 347.462 3.415 50 70 EGIARO CC1CC[NH+](Cc2ccc(C(=O)N(C)CCc3ccncc3)o2)CC1 ZINC000217619154 241263312 /nfs/dbraw/zinc/26/33/12/241263312.db2.gz BBSGDDCIYOLMOS-UHFFFAOYSA-N 1 0 341.455 3.221 50 70 EGIARO Cc1ccc(CCNC(=O)C[NH+]2CCC(c3ccccc3)CC2)o1 ZINC000218316481 241313142 /nfs/dbraw/zinc/31/31/42/241313142.db2.gz FQYWJYIXAQBIKM-UHFFFAOYSA-N 1 0 326.440 3.126 50 70 EGIARO CN(Cc1ccccc1C[NH+](C)C)C(=O)[C@@H](O)c1cccc(Cl)c1 ZINC000218348235 536046668 /nfs/dbraw/zinc/04/66/68/536046668.db2.gz BSSSADJCVQIXJV-SFHVURJKSA-N 1 0 346.858 3.094 50 70 EGIARO CC1=C(CC[N@@H+]2CCCn3nc([C@H](O)CO)cc3C2)C(C)(C)CCC1 ZINC000217704562 535238575 /nfs/dbraw/zinc/23/85/75/535238575.db2.gz STIOPZHGCYRLLH-LJQANCHMSA-N 1 0 347.503 3.031 50 70 EGIARO COc1ccc2[nH]c(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2c1 ZINC000217661966 536960235 /nfs/dbraw/zinc/96/02/35/536960235.db2.gz LGIFLRZBMIUGON-IFXJQAMLSA-N 1 0 341.455 3.171 50 70 biogenic EGIARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccncc1F ZINC000217043185 241233656 /nfs/dbraw/zinc/23/36/56/241233656.db2.gz IDRJTHGMNVMJNF-SFHVURJKSA-N 1 0 327.403 3.178 50 70 EGIARO Cc1csc(CCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000218621075 241334956 /nfs/dbraw/zinc/33/49/56/241334956.db2.gz AMMSQONTEFPIQI-KRWDZBQOSA-N 1 0 343.496 3.165 50 70 EGIARO CC[C@@H](NC(=O)C1([NH+]2CCCCC2)CCCCC1)c1ccnn1C ZINC000218405106 241320094 /nfs/dbraw/zinc/32/00/94/241320094.db2.gz HMTRNLJRHSFRAO-MRXNPFEDSA-N 1 0 332.492 3.176 50 70 EGIARO COc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000218702610 286223234 /nfs/dbraw/zinc/22/32/34/286223234.db2.gz GAQFWYKENSZVTI-HNNXBMFYSA-N 1 0 336.863 3.439 50 70 EGIARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1ncc(F)cc1F ZINC000216999519 456031122 /nfs/dbraw/zinc/03/11/22/456031122.db2.gz HICBMEXKOQDKAQ-QGZVFWFLSA-N 1 0 345.393 3.317 50 70 EGIARO CC[C@H](O)c1cc2n(n1)CCC[N@H+](CCCOCc1ccccc1)C2 ZINC000218507429 241329214 /nfs/dbraw/zinc/32/92/14/241329214.db2.gz IEPURKDFEUUNBG-FQEVSTJZSA-N 1 0 343.471 3.139 50 70 EGIARO c1cc([C@H]2CCCO2)sc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000217957774 241288210 /nfs/dbraw/zinc/28/82/10/241288210.db2.gz CFUHEGPZWTVXGN-MRXNPFEDSA-N 1 0 344.484 3.102 50 70 EGIARO O=C(NC[C@@H]1CCCCO1)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000217093301 241237009 /nfs/dbraw/zinc/23/70/09/241237009.db2.gz OLZYMWZNVCUHLG-IBGZPJMESA-N 1 0 330.472 3.362 50 70 EGIARO CC[C@H](NC(=O)C1([NH+]2CCCCC2)CCCCC1)c1ccnn1C ZINC000218405192 241319484 /nfs/dbraw/zinc/31/94/84/241319484.db2.gz HMTRNLJRHSFRAO-INIZCTEOSA-N 1 0 332.492 3.176 50 70 EGIARO CCOc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000217863105 241279028 /nfs/dbraw/zinc/27/90/28/241279028.db2.gz YVKNZDBOSHHBDD-PKOBYXMFSA-N 1 0 330.472 3.009 50 70 biogenic EGIARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCC(c2ccncc2)CC1 ZINC000218703057 241338756 /nfs/dbraw/zinc/33/87/56/241338756.db2.gz VXNOGJQCWOBZKC-NRFANRHFSA-N 1 0 349.478 3.277 50 70 EGIARO O=C(NCCc1ccncc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000217151534 241237569 /nfs/dbraw/zinc/23/75/69/241237569.db2.gz NUOYGUISZWWOOJ-UHFFFAOYSA-N 1 0 337.467 3.430 50 70 EGIARO Cc1ncsc1CCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)o1 ZINC000217954132 241287347 /nfs/dbraw/zinc/28/73/47/241287347.db2.gz RWZWDUZNLKVRQU-UHFFFAOYSA-N 1 0 347.484 3.249 50 70 EGIARO CN(C(=O)C1CC[NH+](Cc2ccco2)CC1)C1Cc2ccccc2C1 ZINC000218655901 241336578 /nfs/dbraw/zinc/33/65/78/241336578.db2.gz DKLSSAFHCSXUMV-UHFFFAOYSA-N 1 0 338.451 3.117 50 70 EGIARO CN(Cc1ccccc1C[NH+](C)C)C(=O)[C@@H]1CCc2ccccc2O1 ZINC000218210174 536047699 /nfs/dbraw/zinc/04/76/99/536047699.db2.gz PFEDWZUWZDEJAS-FQEVSTJZSA-N 1 0 338.451 3.100 50 70 EGIARO O=C(C[NH+]1CCCCCCC1)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000217155392 241239422 /nfs/dbraw/zinc/23/94/22/241239422.db2.gz GTNBCDGNVBNYES-UHFFFAOYSA-N 1 0 334.851 3.099 50 70 EGIARO COc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000218702535 286223209 /nfs/dbraw/zinc/22/32/09/286223209.db2.gz GAQFWYKENSZVTI-OAHLLOKOSA-N 1 0 336.863 3.439 50 70 EGIARO CO[C@@H]1CCOC[C@H]1[NH2+]C1CCN(c2ccc(C)c(Cl)c2)CC1 ZINC000217686154 241267541 /nfs/dbraw/zinc/26/75/41/241267541.db2.gz AQYCAQFYJHKLLZ-QZTJIDSGSA-N 1 0 338.879 3.011 50 70 EGIARO CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1c(-c3ccccc3)nc3ncccn13)C2 ZINC000217847608 241279977 /nfs/dbraw/zinc/27/99/77/241279977.db2.gz KHEUNBRNFQUMNE-YRWFTTLQSA-N 1 0 348.450 3.253 50 70 EGIARO C[NH+](C)C1(CNC(=O)[C@@H](c2ccccc2)C2CCCC2)CCOCC1 ZINC000218420908 289054277 /nfs/dbraw/zinc/05/42/77/289054277.db2.gz PGBRLTNSKPQYEG-IBGZPJMESA-N 1 0 344.499 3.187 50 70 EGIARO O=C(c1cc2ccccc2o1)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000217596761 241262797 /nfs/dbraw/zinc/26/27/97/241262797.db2.gz PXZHOHNCRJAHSU-QGZVFWFLSA-N 1 0 342.439 3.150 50 70 EGIARO CC[C@@H](O)c1cc2n(n1)CCC[N@H+](CCCOCc1ccccc1)C2 ZINC000218507346 241329074 /nfs/dbraw/zinc/32/90/74/241329074.db2.gz IEPURKDFEUUNBG-HXUWFJFHSA-N 1 0 343.471 3.139 50 70 EGIARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccncc1F ZINC000217043223 241234053 /nfs/dbraw/zinc/23/40/53/241234053.db2.gz IDRJTHGMNVMJNF-GOSISDBHSA-N 1 0 327.403 3.178 50 70 EGIARO C[NH+]1CCC(CNC(=O)c2cncc(Cl)c2)(c2ccccc2)CC1 ZINC000218611348 241335635 /nfs/dbraw/zinc/33/56/35/241335635.db2.gz HFFJAAQSXZIGGZ-UHFFFAOYSA-N 1 0 343.858 3.128 50 70 EGIARO CCc1oc2ccccc2c1C[N@@H+]1CCCn2nc(CO)cc2C1 ZINC000217197097 241242230 /nfs/dbraw/zinc/24/22/30/241242230.db2.gz VBCXRPYQDHERHF-UHFFFAOYSA-N 1 0 325.412 3.090 50 70 EGIARO CC1=CC[C@@H]2CN(C(=O)C3CC[NH+](Cc4ccco4)CC3)C[C@@H]2C1 ZINC000218449603 241324933 /nfs/dbraw/zinc/32/49/33/241324933.db2.gz DIWAQALCNTUIBN-MSOLQXFVSA-N 1 0 328.456 3.306 50 70 EGIARO Cc1oc(C(C)C)cc1C(=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000218163281 294034120 /nfs/dbraw/zinc/03/41/20/294034120.db2.gz TUPYJVCKKFDOMA-KRWDZBQOSA-N 1 0 348.487 3.428 50 70 EGIARO CN(Cc1ccccc1C[NH+](C)C)C(=O)[C@H](O)c1cccc(Cl)c1 ZINC000218348313 536047413 /nfs/dbraw/zinc/04/74/13/536047413.db2.gz BSSSADJCVQIXJV-GOSISDBHSA-N 1 0 346.858 3.094 50 70 EGIARO O=C(c1cc2ccccc2o1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000217596668 241262949 /nfs/dbraw/zinc/26/29/49/241262949.db2.gz PXZHOHNCRJAHSU-KRWDZBQOSA-N 1 0 342.439 3.150 50 70 EGIARO Cc1cccc(OC(C)(C)C(=O)N(C)C[C@H]2CCCC[N@@H+]2C)c1C ZINC000217352565 241244486 /nfs/dbraw/zinc/24/44/86/241244486.db2.gz MBCOYKGCIDNAPT-QGZVFWFLSA-N 1 0 332.488 3.404 50 70 EGIARO Cc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2[NH+](C)C ZINC000218151599 241302010 /nfs/dbraw/zinc/30/20/10/241302010.db2.gz MLQBTTNZTXLISW-VIKVFOODSA-N 1 0 340.389 3.426 50 70 EGIARO Cc1oc(C(C)C)cc1C(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000218163338 294034328 /nfs/dbraw/zinc/03/43/28/294034328.db2.gz TUPYJVCKKFDOMA-QGZVFWFLSA-N 1 0 348.487 3.428 50 70 EGIARO COc1cc(OC)c(CN2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)cc1Cl ZINC000217150695 241238345 /nfs/dbraw/zinc/23/83/45/241238345.db2.gz JRNAJPAEUQAEIS-MCBXIFIFSA-N 1 0 338.879 3.129 50 70 EGIARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ncc(F)cc1F ZINC000216999510 241230627 /nfs/dbraw/zinc/23/06/27/241230627.db2.gz HICBMEXKOQDKAQ-KRWDZBQOSA-N 1 0 345.393 3.317 50 70 EGIARO CN(Cc1ccccc1C[NH+](C)C)C(=O)[C@H]1CCc2ccccc2O1 ZINC000218210258 456034479 /nfs/dbraw/zinc/03/44/79/456034479.db2.gz PFEDWZUWZDEJAS-HXUWFJFHSA-N 1 0 338.451 3.100 50 70 EGIARO COc1cccc2[nH]c(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc21 ZINC000217660893 536924803 /nfs/dbraw/zinc/92/48/03/536924803.db2.gz BJBIPMBBRIDQLP-KBXCAEBGSA-N 1 0 341.455 3.171 50 70 biogenic EGIARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2cc(F)ccc2[nH]1 ZINC000217632228 241264425 /nfs/dbraw/zinc/26/44/25/241264425.db2.gz JUESXFCYHGMJLU-SCLBCKFNSA-N 1 0 329.419 3.301 50 70 biogenic EGIARO CC(C)C[N@@H+]1CC[C@@H](CN(C)C(=O)Cc2ccc(O)c(Cl)c2)C1 ZINC000217195421 535127525 /nfs/dbraw/zinc/12/75/25/535127525.db2.gz ZIKQHDVYXJHTMK-HNNXBMFYSA-N 1 0 338.879 3.024 50 70 EGIARO c1nc(CO[C@@H]2COCC[C@H]2Nc2cc[nH+]c3ccccc23)cs1 ZINC000218448892 547240193 /nfs/dbraw/zinc/24/01/93/547240193.db2.gz IDMIWVCTDSQUND-QZTJIDSGSA-N 1 0 341.436 3.478 50 70 EGIARO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCC(c2ccncc2)CC1 ZINC000218702973 547240060 /nfs/dbraw/zinc/24/00/60/547240060.db2.gz VXNOGJQCWOBZKC-OAQYLSRUSA-N 1 0 349.478 3.277 50 70 EGIARO CC1=C(CC[N@@H+]2CCCn3nc([C@@H](O)CO)cc3C2)C(C)(C)CCC1 ZINC000217704470 535239232 /nfs/dbraw/zinc/23/92/32/535239232.db2.gz STIOPZHGCYRLLH-IBGZPJMESA-N 1 0 347.503 3.031 50 70 EGIARO Nc1nc(NCc2cc(Cl)ccc2Cl)cc(C2CC([NH3+])C2)n1 ZINC000218630941 241335439 /nfs/dbraw/zinc/33/54/39/241335439.db2.gz HAZUOPGDZGICMX-UHFFFAOYSA-N 1 0 338.242 3.182 50 70 EGIARO Cc1cccc(OC(C)(C)C(=O)N(C)C[C@@H]2CCCC[N@@H+]2C)c1C ZINC000217352493 241244928 /nfs/dbraw/zinc/24/49/28/241244928.db2.gz MBCOYKGCIDNAPT-KRWDZBQOSA-N 1 0 332.488 3.404 50 70 EGIARO CC(C)c1ccc(OCCN(C)c2cc(C3CC([NH3+])C3)ncn2)cc1 ZINC000218586932 241332296 /nfs/dbraw/zinc/33/22/96/241332296.db2.gz PUGAIKFJZCQGBF-UHFFFAOYSA-N 1 0 340.471 3.320 50 70 EGIARO C[NH+]1CCC(C(=O)NCCCC[C@H]2CCCO2)(c2ccccc2)CC1 ZINC000218281326 241311110 /nfs/dbraw/zinc/31/11/10/241311110.db2.gz SMHCXIDJTQCZOD-IBGZPJMESA-N 1 0 344.499 3.116 50 70 EGIARO C[NH+]1CCC(C(=O)NCCCC[C@@H]2CCCO2)(c2ccccc2)CC1 ZINC000218281272 241311156 /nfs/dbraw/zinc/31/11/56/241311156.db2.gz SMHCXIDJTQCZOD-LJQANCHMSA-N 1 0 344.499 3.116 50 70 EGIARO COc1ccnc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)c1 ZINC000218296350 241312814 /nfs/dbraw/zinc/31/28/14/241312814.db2.gz QGWDWGPIDMVPLY-IBGZPJMESA-N 1 0 339.439 3.047 50 70 EGIARO COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)ccc1OCC=C(C)C ZINC000217870146 241282111 /nfs/dbraw/zinc/28/21/11/241282111.db2.gz KKUAHCYTEFHOGM-YRWFTTLQSA-N 1 0 331.456 3.243 50 70 EGIARO COC1CC[NH+](C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000217778576 456033500 /nfs/dbraw/zinc/03/35/00/456033500.db2.gz TZVMBHOCDFNFJP-UHFFFAOYSA-N 1 0 336.863 3.055 50 70 EGIARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000217190511 241241149 /nfs/dbraw/zinc/24/11/49/241241149.db2.gz FYBVXLUPYMREOX-PMOLBWCYSA-N 1 0 330.516 3.162 50 70 EGIARO CSc1ccc(C(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000217912788 241283366 /nfs/dbraw/zinc/28/33/66/241283366.db2.gz MTQGOCFHXCFSBI-QGZVFWFLSA-N 1 0 348.512 3.126 50 70 EGIARO C[NH+](C)C1(CNC(=O)[C@H](c2ccccc2)C2CCCC2)CCOCC1 ZINC000218420988 289056702 /nfs/dbraw/zinc/05/67/02/289056702.db2.gz PGBRLTNSKPQYEG-LJQANCHMSA-N 1 0 344.499 3.187 50 70 EGIARO CCCCc1ccc(-n2cc(CN3CC[N@H+](C)[C@@H](C)C3)cn2)cc1 ZINC000217595523 535081975 /nfs/dbraw/zinc/08/19/75/535081975.db2.gz MKHZDSPWPATOLK-KRWDZBQOSA-N 1 0 326.488 3.351 50 70 EGIARO Cc1cn2cc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)ccc2n1 ZINC000218031856 241292550 /nfs/dbraw/zinc/29/25/50/241292550.db2.gz OCNHEICVXASNKS-UHFFFAOYSA-N 1 0 348.450 3.169 50 70 EGIARO COCc1nc(NCCCc2ccccc2F)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000218222384 241309031 /nfs/dbraw/zinc/30/90/31/241309031.db2.gz SIUUTRYVBNRCEZ-SHTZXODSSA-N 1 0 344.434 3.012 50 70 EGIARO CCN(CC[NH+]1CCCCCC1)C(=O)[C@H](O)c1ccccc1Cl ZINC000218304861 241313090 /nfs/dbraw/zinc/31/30/90/241313090.db2.gz GINVOTSZDHLQIL-QGZVFWFLSA-N 1 0 338.879 3.098 50 70 EGIARO CC[NH+](CC)C[C@H]1CCCN1Cc1cc(C)ccc1-n1cccn1 ZINC000218606493 279134439 /nfs/dbraw/zinc/13/44/39/279134439.db2.gz UTXPLGXTCZZZPN-LJQANCHMSA-N 1 0 326.488 3.487 50 70 EGIARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccsc2)n[nH]1 ZINC000217673443 241266823 /nfs/dbraw/zinc/26/68/23/241266823.db2.gz CYIZOHSICLGTIL-SUMWQHHRSA-N 1 0 344.484 3.133 50 70 biogenic EGIARO CC1CCC2(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000217686259 456033352 /nfs/dbraw/zinc/03/33/52/456033352.db2.gz CFLFEHOWXPFODO-BGZZBSKSSA-N 1 0 338.451 3.219 50 70 EGIARO CN(Cc1cccc2ccccc21)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000218360926 536477912 /nfs/dbraw/zinc/47/79/12/536477912.db2.gz KSBPSKIKCPPAFL-UHFFFAOYSA-N 1 0 333.439 3.053 50 70 EGIARO COc1ccnc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)c1 ZINC000218296386 274163937 /nfs/dbraw/zinc/16/39/37/274163937.db2.gz QGWDWGPIDMVPLY-LJQANCHMSA-N 1 0 339.439 3.047 50 70 EGIARO Fc1ccccc1-n1cc(CN2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000218346981 241314725 /nfs/dbraw/zinc/31/47/25/241314725.db2.gz QIMFCMAPUARAPY-UHFFFAOYSA-N 1 0 342.462 3.319 50 70 EGIARO CN(Cc1ccon1)C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000217663854 536484312 /nfs/dbraw/zinc/48/43/12/536484312.db2.gz ZWXHJWROQHJPOR-UHFFFAOYSA-N 1 0 327.428 3.323 50 70 EGIARO CC(C)C[N@@H+]1CC[C@H](CN(C)C(=O)Cc2ccc(O)c(Cl)c2)C1 ZINC000217195433 535134908 /nfs/dbraw/zinc/13/49/08/535134908.db2.gz ZIKQHDVYXJHTMK-OAHLLOKOSA-N 1 0 338.879 3.024 50 70 EGIARO COc1ccc2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[nH]c2c1 ZINC000217654033 241266300 /nfs/dbraw/zinc/26/63/00/241266300.db2.gz XJUXCVHKXDXMQX-HNAYVOBHSA-N 1 0 341.455 3.171 50 70 biogenic EGIARO c1cc([C@H]2CCCCO2)oc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000217209480 241240863 /nfs/dbraw/zinc/24/08/63/241240863.db2.gz LTQIHCYCYVKBPB-QGZVFWFLSA-N 1 0 342.443 3.024 50 70 EGIARO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NCCc1nc2cc(Cl)ccc2[nH]1 ZINC000217715476 241271344 /nfs/dbraw/zinc/27/13/44/241271344.db2.gz IGGKTAYHBLQBFX-BETUJISGSA-N 1 0 348.878 3.138 50 70 EGIARO CC[NH+](CC)C[C@@H]1CCCN1Cc1cc(C)ccc1-n1cccn1 ZINC000218606402 547240252 /nfs/dbraw/zinc/24/02/52/547240252.db2.gz UTXPLGXTCZZZPN-IBGZPJMESA-N 1 0 326.488 3.487 50 70 EGIARO OCc1cc2n(n1)CCC[N@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC000217511287 241255638 /nfs/dbraw/zinc/25/56/38/241255638.db2.gz FLYIJZZZXMNONT-UHFFFAOYSA-N 1 0 347.462 3.413 50 70 EGIARO O=C(Cc1ccc(O)c(Cl)c1)NCC1([NH+]2CCCC2)CCCC1 ZINC000218474225 241325351 /nfs/dbraw/zinc/32/53/51/241325351.db2.gz SWJDXFBYGVFTAG-UHFFFAOYSA-N 1 0 336.863 3.113 50 70 EGIARO Cc1ccc(Sc2ccc(CN3CC[N@@H+](C)[C@@H](CCO)C3)o2)cc1 ZINC000217024250 241232497 /nfs/dbraw/zinc/23/24/97/241232497.db2.gz DJCNHMKFCNJBEN-INIZCTEOSA-N 1 0 346.496 3.238 50 70 EGIARO CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](O)c1ccccc1Cl ZINC000218304787 241313436 /nfs/dbraw/zinc/31/34/36/241313436.db2.gz GINVOTSZDHLQIL-KRWDZBQOSA-N 1 0 338.879 3.098 50 70 EGIARO O=C(CC[NH+]1CCCCCCC1)NCc1noc(-c2ccccc2)n1 ZINC000218356863 241318303 /nfs/dbraw/zinc/31/83/03/241318303.db2.gz DKDOSXJZDXZZSI-UHFFFAOYSA-N 1 0 342.443 3.009 50 70 EGIARO