smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](C[C@@H](O)COc3c(OC)cccc3OC)CC2)cc1 ZINC000085842856 559057581 /nfs/dbraw/zinc/05/75/81/559057581.db2.gz BYQQSSSIBFCTJP-GOSISDBHSA-N 1 1 402.491 2.274 50 10 HECAMO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000008189222 132328528 /nfs/dbraw/zinc/32/85/28/132328528.db2.gz VGCFNMZXBPSFJT-UHFFFAOYSA-N 1 1 422.529 2.486 50 10 HECAMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000008189222 132328529 /nfs/dbraw/zinc/32/85/29/132328529.db2.gz VGCFNMZXBPSFJT-UHFFFAOYSA-N 1 1 422.529 2.486 50 10 HECAMO CCOC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000057802800 568861417 /nfs/dbraw/zinc/86/14/17/568861417.db2.gz SJFNOGVKQXGQIX-KRWDZBQOSA-N 1 1 403.523 2.007 50 10 HECAMO C[NH+]1CCN(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)CC1 ZINC000009444725 571259463 /nfs/dbraw/zinc/25/94/63/571259463.db2.gz SMAWYNWNLMBETP-NTCAYCPXSA-N 1 1 424.979 2.210 50 10 HECAMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000056997207 568822419 /nfs/dbraw/zinc/82/24/19/568822419.db2.gz CNMIXLZRBQVIHI-UHFFFAOYSA-N 1 1 413.518 2.193 50 10 HECAMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000007362880 569235431 /nfs/dbraw/zinc/23/54/31/569235431.db2.gz IDRSHIHDEVLKLF-HNNXBMFYSA-N 1 1 404.536 2.249 50 10 HECAMO CCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1cc(OC)ccc1O)CC2)C(C)C ZINC000014999338 558696974 /nfs/dbraw/zinc/69/69/74/558696974.db2.gz ZJURJPIZGIEECE-HXUWFJFHSA-N 1 1 401.511 2.274 50 10 HECAMO COc1ccc(N2CCN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000022802185 558513236 /nfs/dbraw/zinc/51/32/36/558513236.db2.gz UKPDWGKJPCRKSC-UHFFFAOYSA-N 1 1 408.546 2.162 50 10 HECAMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1 ZINC000051050671 560736989 /nfs/dbraw/zinc/73/69/89/560736989.db2.gz CSEALJNRSUVJJK-HUUCEWRRSA-N 1 1 417.510 2.128 50 10 HECAMO COc1ccc2ccc(O)c(C[NH+]3CCN(S(=O)(=O)c4ccn(C)c4)CC3)c2c1 ZINC000032935398 525648404 /nfs/dbraw/zinc/64/84/04/525648404.db2.gz PHNRAKTUWMPBDJ-UHFFFAOYSA-N 1 1 415.515 2.399 50 10 HECAMO CN(C)c1ccc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1 ZINC000015003288 558698592 /nfs/dbraw/zinc/69/85/92/558698592.db2.gz UVYOUCLULXMVIW-UHFFFAOYSA-N 1 1 418.545 2.261 50 10 HECAMO O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NCCC[NH+]1CCOCC1 ZINC000020227407 558349519 /nfs/dbraw/zinc/34/95/19/558349519.db2.gz QUGJTSVOMALILL-JQIJEIRASA-N 1 1 423.560 2.100 50 10 HECAMO COc1ccc(N2CCN(C(=O)CN3CC[NH+](Cc4cccs4)CC3)CC2)cc1 ZINC000022772292 558508756 /nfs/dbraw/zinc/50/87/56/558508756.db2.gz QVCFDXRMXAFEKG-UHFFFAOYSA-N 1 1 414.575 2.223 50 10 HECAMO CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000057802796 568861320 /nfs/dbraw/zinc/86/13/20/568861320.db2.gz SJFNOGVKQXGQIX-QGZVFWFLSA-N 1 1 403.523 2.007 50 10 HECAMO COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2CC[NH+](C)CC2)c1O ZINC000022822981 557833356 /nfs/dbraw/zinc/83/33/56/557833356.db2.gz CCBIHBJCQZDRFE-KRWDZBQOSA-N 1 1 414.531 2.387 50 10 HECAMO CCCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000035392502 569034698 /nfs/dbraw/zinc/03/46/98/569034698.db2.gz YCHFGHGRVMCZFO-QFIPXVFZSA-N 1 1 408.546 2.494 50 10 HECAMO CCCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035392502 569034699 /nfs/dbraw/zinc/03/46/99/569034699.db2.gz YCHFGHGRVMCZFO-QFIPXVFZSA-N 1 1 408.546 2.494 50 10 HECAMO C[NH+]1CCN(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 ZINC000002244397 569323823 /nfs/dbraw/zinc/32/38/23/569323823.db2.gz SMAWYNWNLMBETP-QINSGFPZSA-N 1 1 424.979 2.210 50 10 HECAMO COc1ccc(N2CC[NH+](CCNC(=O)c3cc4ccccc4oc3=O)CC2)cc1 ZINC000053132759 568940234 /nfs/dbraw/zinc/94/02/34/568940234.db2.gz NMDATUQMEUINHL-UHFFFAOYSA-N 1 1 407.470 2.354 50 10 HECAMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1O ZINC000012820055 568991758 /nfs/dbraw/zinc/99/17/58/568991758.db2.gz JRWLGIHGMIIUFL-QGZVFWFLSA-N 1 1 412.486 2.403 50 10 HECAMO COC(=O)c1ccc(NC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000058021516 568878104 /nfs/dbraw/zinc/87/81/04/568878104.db2.gz HWYFACHBBNXWEE-UHFFFAOYSA-N 1 1 412.490 2.426 50 10 HECAMO CC(C)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000035392517 569034693 /nfs/dbraw/zinc/03/46/93/569034693.db2.gz IXHCHKHBKOITJY-JOCHJYFZSA-N 1 1 408.546 2.493 50 10 HECAMO CC(C)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035392517 569034694 /nfs/dbraw/zinc/03/46/94/569034694.db2.gz IXHCHKHBKOITJY-JOCHJYFZSA-N 1 1 408.546 2.493 50 10 HECAMO CCCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000035392503 569034708 /nfs/dbraw/zinc/03/47/08/569034708.db2.gz YCHFGHGRVMCZFO-JOCHJYFZSA-N 1 1 408.546 2.494 50 10 HECAMO CCCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035392503 569034709 /nfs/dbraw/zinc/03/47/09/569034709.db2.gz YCHFGHGRVMCZFO-JOCHJYFZSA-N 1 1 408.546 2.494 50 10 HECAMO CNc1nc(N2CCC(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2)cc[nH+]1 ZINC000065282124 558813641 /nfs/dbraw/zinc/81/36/41/558813641.db2.gz DQDXDGUBZNHDTR-UHFFFAOYSA-N 1 1 424.549 2.482 50 10 HECAMO COc1ccc(N2CCN(C(=O)CCc3nc(C4=CC[N@@H+](C)CC4)no3)CC2)cc1 ZINC000020901753 568650019 /nfs/dbraw/zinc/65/00/19/568650019.db2.gz PBZJICVNUADJAN-UHFFFAOYSA-N 1 1 411.506 2.079 50 10 HECAMO CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CC2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000035392519 569034719 /nfs/dbraw/zinc/03/47/19/569034719.db2.gz GPMHLSFROYGXAJ-QFIPXVFZSA-N 1 1 406.530 2.247 50 10 HECAMO CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CC2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035392519 569034720 /nfs/dbraw/zinc/03/47/20/569034720.db2.gz GPMHLSFROYGXAJ-QFIPXVFZSA-N 1 1 406.530 2.247 50 10 HECAMO O=C1C[C@H](N2CC[NH+](CCO)CC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100712995 559259430 /nfs/dbraw/zinc/25/94/30/559259430.db2.gz HWHBJIBOVDFXTK-NVWMPKGRSA-N 1 1 407.474 2.344 50 10 HECAMO O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000008338634 568993291 /nfs/dbraw/zinc/99/32/91/568993291.db2.gz HYYODSUCMLWLQO-UHFFFAOYSA-N 1 1 408.451 2.157 50 10 HECAMO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000008338634 568993293 /nfs/dbraw/zinc/99/32/93/568993293.db2.gz HYYODSUCMLWLQO-UHFFFAOYSA-N 1 1 408.451 2.157 50 10 HECAMO Cc1c2ccc(O)c(O)c2oc(=O)c1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020623315 558394424 /nfs/dbraw/zinc/39/44/24/558394424.db2.gz APJBMVSDJFQFSO-UHFFFAOYSA-N 1 1 408.454 2.400 50 10 HECAMO COc1ccc(CCN2C(=O)/C(=C/N3CC[NH+](C)CC3)SC2=S)cc1OC ZINC000009049267 571215844 /nfs/dbraw/zinc/21/58/44/571215844.db2.gz SWYLOTFITRQCJF-LGMDPLHJSA-N 1 1 407.561 2.195 50 10 HECAMO CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000002298421 132251967 /nfs/dbraw/zinc/25/19/67/132251967.db2.gz GEAHDVSLTNCABW-SDNWHVSQSA-N 1 1 414.453 2.268 50 10 HECAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2cc(O)c(O)c(Cl)c2)N1)OCCCO4 ZINC000012506245 568839250 /nfs/dbraw/zinc/83/92/50/568839250.db2.gz KGKIWMBOHOKQJW-MRXNPFEDSA-N 1 1 401.810 2.359 50 10 HECAMO COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CN2CC[NH+](C)CC2)c1O ZINC000022822988 557833370 /nfs/dbraw/zinc/83/33/70/557833370.db2.gz CCBIHBJCQZDRFE-QGZVFWFLSA-N 1 1 414.531 2.387 50 10 HECAMO COc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000013575217 558543413 /nfs/dbraw/zinc/54/34/13/558543413.db2.gz ROXSVTHVYLYGQN-DTQAZKPQSA-N 1 1 405.545 2.061 50 10 HECAMO CCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1cc(OC)ccc1O)CC2)C(C)C ZINC000014999335 558697052 /nfs/dbraw/zinc/69/70/52/558697052.db2.gz ZJURJPIZGIEECE-FQEVSTJZSA-N 1 1 401.511 2.274 50 10 HECAMO COc1ccc(N2CC[NH+](C[C@H](O)COc3c(OC)cccc3OC)CC2)cc1 ZINC000085842855 559057601 /nfs/dbraw/zinc/05/76/01/559057601.db2.gz BYQQSSSIBFCTJP-SFHVURJKSA-N 1 1 402.491 2.274 50 10 HECAMO CN1CCN(c2ccc(C[NH2+]CCN3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1 ZINC000095459042 568619249 /nfs/dbraw/zinc/61/92/49/568619249.db2.gz AJIDFQQLBIETDI-UHFFFAOYSA-N 1 1 417.598 2.081 50 10 HECAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2cc(O)c(O)c(Cl)c2)N1)OCCCO4 ZINC000012506243 568839210 /nfs/dbraw/zinc/83/92/10/568839210.db2.gz KGKIWMBOHOKQJW-INIZCTEOSA-N 1 1 401.810 2.359 50 10 HECAMO CN(C)c1ccc([C@H](CNS(C)(=O)=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022666224 557715700 /nfs/dbraw/zinc/71/57/00/557715700.db2.gz CPEPGUQXBSDDGV-NRFANRHFSA-N 1 1 402.564 2.165 50 10 HECAMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1 ZINC000051050677 560737552 /nfs/dbraw/zinc/73/75/52/560737552.db2.gz CSEALJNRSUVJJK-CABCVRRESA-N 1 1 417.510 2.128 50 10 HECAMO CCCN(CCC)S(=O)(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000040086215 571156788 /nfs/dbraw/zinc/15/67/88/571156788.db2.gz FIFZMRTZSVTPDF-UHFFFAOYSA-N 1 1 412.600 2.164 50 10 HECAMO C[NH+]1CCN(c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2[N+](=O)[O-])CC1 ZINC000004046054 132270024 /nfs/dbraw/zinc/27/00/24/132270024.db2.gz RAKNHQGAFSZXGD-UYRXBGFRSA-N 1 1 421.482 2.117 50 10 HECAMO CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000019867659 558299351 /nfs/dbraw/zinc/29/93/51/558299351.db2.gz BLQYCJDGECXCMS-VBKFSLOCSA-N 1 1 405.545 2.061 50 10 HECAMO COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000015986511 558765409 /nfs/dbraw/zinc/76/54/09/558765409.db2.gz HYJADUFZRIQZED-SAPNQHFASA-N 1 1 419.572 2.451 50 10 HECAMO COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000019618539 558946837 /nfs/dbraw/zinc/94/68/37/558946837.db2.gz KECPQPKNBNAIPH-SSZFMOIBSA-N 1 1 405.545 2.061 50 10 HECAMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000007362885 569235500 /nfs/dbraw/zinc/23/55/00/569235500.db2.gz IDRSHIHDEVLKLF-OAHLLOKOSA-N 1 1 404.536 2.249 50 10 HECAMO CN(C)c1ccc([C@@H](CNS(C)(=O)=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022666219 557715715 /nfs/dbraw/zinc/71/57/15/557715715.db2.gz CPEPGUQXBSDDGV-OAQYLSRUSA-N 1 1 402.564 2.165 50 10 HECAMO CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000022215911 558466734 /nfs/dbraw/zinc/46/67/34/558466734.db2.gz DTUVEXMNUFGHBW-VKAVYKQESA-N 1 1 419.572 2.451 50 10 HECAMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1 ZINC000051050680 560737367 /nfs/dbraw/zinc/73/73/67/560737367.db2.gz CSEALJNRSUVJJK-GJZGRUSLSA-N 1 1 417.510 2.128 50 10 HECAMO Cc1ccc(/C=C2\SC(=S)N(CC(=O)NCCC[NH+]3CCOCC3)C2=O)cc1 ZINC000015799613 558753746 /nfs/dbraw/zinc/75/37/46/558753746.db2.gz ACWGZZSKUKTWQL-LGMDPLHJSA-N 1 1 419.572 2.035 50 10 HECAMO COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000022553968 559012172 /nfs/dbraw/zinc/01/21/72/559012172.db2.gz ROXSVTHVYLYGQN-SSZFMOIBSA-N 1 1 405.545 2.061 50 10 HECAMO Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000008326042 568991835 /nfs/dbraw/zinc/99/18/35/568991835.db2.gz CNSQZUPDURGZAR-UHFFFAOYSA-N 1 1 404.488 2.326 50 10 HECAMO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000008326042 568991837 /nfs/dbraw/zinc/99/18/37/568991837.db2.gz CNSQZUPDURGZAR-UHFFFAOYSA-N 1 1 404.488 2.326 50 10 HECAMO COc1ccccc1N1C(=O)C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000032771850 524535303 /nfs/dbraw/zinc/53/53/03/524535303.db2.gz NGDDLNXSYOVGCR-HXUWFJFHSA-N 1 1 409.486 2.296 50 10 HECAMO COc1ccccc1N1C(=O)C[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000032771850 524535309 /nfs/dbraw/zinc/53/53/09/524535309.db2.gz NGDDLNXSYOVGCR-HXUWFJFHSA-N 1 1 409.486 2.296 50 10 HECAMO O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCC[NH+]1CCOCC1 ZINC000019792440 558283263 /nfs/dbraw/zinc/28/32/63/558283263.db2.gz VXMOKXBJRMKILQ-ICFOKQHNSA-N 1 1 419.572 2.116 50 10 HECAMO CC[NH+]1CCN(C(=O)c2csc(N3CCN(c4ccc(OC)cc4)CC3)n2)CC1 ZINC000065211510 569196436 /nfs/dbraw/zinc/19/64/36/569196436.db2.gz SVSNMQDANVDREM-UHFFFAOYSA-N 1 1 415.563 2.256 50 10 HECAMO O=C(Cc1cccc(F)c1)NCc1nnc2n1CC[N@H+](Cc1ccccc1O)CC2 ZINC000020773732 558411409 /nfs/dbraw/zinc/41/14/09/558411409.db2.gz ZFGXKCUXCDFINA-UHFFFAOYSA-N 1 1 409.465 2.040 50 10 HECAMO O=C1C[C@@H](N2CC[NH+](CCO)CC2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000100712999 559259458 /nfs/dbraw/zinc/25/94/58/559259458.db2.gz HWHBJIBOVDFXTK-LRVSTDGRSA-N 1 1 407.474 2.344 50 10 HECAMO Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NN3CC[NH+](C)CC3)C2=O)cc1 ZINC000001249953 569320400 /nfs/dbraw/zinc/32/04/00/569320400.db2.gz AJCHHIIBZMJARW-SAPNQHFASA-N 1 1 418.588 2.255 50 10 HECAMO C[NH+]1CCN(NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)CC1 ZINC000001191933 557236813 /nfs/dbraw/zinc/23/68/13/557236813.db2.gz JVKSJQQDQGWICI-QINSGFPZSA-N 1 1 424.979 2.210 50 10 HECAMO O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCC[NH+]1CCOCC1 ZINC000020841933 558417269 /nfs/dbraw/zinc/41/72/69/558417269.db2.gz VXMOKXBJRMKILQ-BMRADRMJSA-N 1 1 419.572 2.116 50 10 HECAMO Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NN3CC[NH+](C)CC3)C2=O)cc1 ZINC000001249954 568908764 /nfs/dbraw/zinc/90/87/64/568908764.db2.gz AJCHHIIBZMJARW-VKAVYKQESA-N 1 1 418.588 2.255 50 10 HECAMO O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000002262324 569325332 /nfs/dbraw/zinc/32/53/32/569325332.db2.gz LOQSDXNFYFUPMV-RCCKNPSSSA-N 1 1 418.497 2.403 50 10 HECAMO COc1cccc(C[NH+]2CCN(Cc3nc(C(=O)NCCC(C)C)co3)CC2)c1O ZINC000034678262 557366339 /nfs/dbraw/zinc/36/63/39/557366339.db2.gz UZUFUNSACCCLMN-UHFFFAOYSA-N 1 1 416.522 2.483 50 10 HECAMO CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CC2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000035392518 569034711 /nfs/dbraw/zinc/03/47/11/569034711.db2.gz GPMHLSFROYGXAJ-JOCHJYFZSA-N 1 1 406.530 2.247 50 10 HECAMO CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CC2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035392518 569034712 /nfs/dbraw/zinc/03/47/12/569034712.db2.gz GPMHLSFROYGXAJ-JOCHJYFZSA-N 1 1 406.530 2.247 50 10 HECAMO COc1ccccc1N1C(=O)C[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000102340001 560810020 /nfs/dbraw/zinc/81/00/20/560810020.db2.gz NGDDLNXSYOVGCR-FQEVSTJZSA-N 1 1 409.486 2.296 50 10 HECAMO COc1ccccc1N1C(=O)C[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000102340001 560810021 /nfs/dbraw/zinc/81/00/21/560810021.db2.gz NGDDLNXSYOVGCR-FQEVSTJZSA-N 1 1 409.486 2.296 50 10 HECAMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1O ZINC000012820062 568991810 /nfs/dbraw/zinc/99/18/10/568991810.db2.gz JRWLGIHGMIIUFL-KRWDZBQOSA-N 1 1 412.486 2.403 50 10 HECAMO CC(C)NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000035392516 569034685 /nfs/dbraw/zinc/03/46/85/569034685.db2.gz IXHCHKHBKOITJY-QFIPXVFZSA-N 1 1 408.546 2.493 50 10 HECAMO CC(C)NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035392516 569034686 /nfs/dbraw/zinc/03/46/86/569034686.db2.gz IXHCHKHBKOITJY-QFIPXVFZSA-N 1 1 408.546 2.493 50 10 HECAMO C[N@@H+](CCO)CCNc1cc(N2CCOCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000004961919 132297017 /nfs/dbraw/zinc/29/70/17/132297017.db2.gz KJPHOIKSFOKIKM-UHFFFAOYSA-N 1 1 422.485 2.212 50 10 HECAMO