smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000000705118 568463345 /nfs/dbraw/zinc/46/33/45/568463345.db2.gz HQQZNVPYOAYOAA-SFHVURJKSA-N 1 0 400.479 0.567 50 0 HCAARO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000000810691 568491576 /nfs/dbraw/zinc/49/15/76/568491576.db2.gz XWPQYCUHAIUILP-SFHVURJKSA-N 1 0 401.488 0.836 50 0 HCAARO COc1cccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 ZINC000000810693 557087495 /nfs/dbraw/zinc/08/74/95/557087495.db2.gz JNYWKULDSJFBBM-KRWDZBQOSA-N 1 0 403.460 0.807 50 0 HCAARO C[C@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN1CCOCC1 ZINC000000812623 568495244 /nfs/dbraw/zinc/49/52/44/568495244.db2.gz CEHGAVZWEODXRK-HNNXBMFYSA-N 1 0 404.515 0.140 50 0 HCAARO C[C@@H]1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCN1CCOCC1 ZINC000000812624 568495282 /nfs/dbraw/zinc/49/52/82/568495282.db2.gz CEHGAVZWEODXRK-OAHLLOKOSA-N 1 0 404.515 0.140 50 0 HCAARO Cn1c2nc(N3CC[NH2+]CC3)n(CC(=O)c3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000825415 568498677 /nfs/dbraw/zinc/49/86/77/568498677.db2.gz CGIQTJJUIWSDIE-UHFFFAOYSA-N 1 0 416.869 0.380 50 0 HCAARO COc1ccc(CCNC(=[NH2+])Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000000982199 568760350 /nfs/dbraw/zinc/76/03/50/568760350.db2.gz HZMQPTOYOOWVQW-UHFFFAOYSA-N 1 0 400.439 0.260 50 0 HCAARO CCOc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000001022517 568763498 /nfs/dbraw/zinc/76/34/98/568763498.db2.gz HHJXGTNKRRSRPS-IBGZPJMESA-N 1 0 414.506 0.957 50 0 HCAARO CCC[C@H]1C[C@H](C(=O)N[C@@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@H](O)[C@@H]2O)[N@H+](C)C1 ZINC000002017346 569364133 /nfs/dbraw/zinc/36/41/33/569364133.db2.gz KDLRVYVGXIQJDK-YHGLQUMISA-N 1 0 424.991 0.390 50 0 HCAARO CC[N@@H+]1CCN2c3ccc(NC(C)=O)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1 ZINC000002364452 569387514 /nfs/dbraw/zinc/38/75/14/569387514.db2.gz GNAMYXBMMCDOOM-QGZVFWFLSA-N 1 0 413.478 0.748 50 0 HCAARO Nc1cc(N)[nH+]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000002660132 568798710 /nfs/dbraw/zinc/79/87/10/568798710.db2.gz RGMGITIURHWESL-UHFFFAOYSA-N 1 0 408.509 0.266 50 0 HCAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000002951974 568829369 /nfs/dbraw/zinc/82/93/69/568829369.db2.gz ZMLBNELEPPJCLH-UHFFFAOYSA-N 1 0 413.478 0.022 50 0 HCAARO C[NH+](C)CCCNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000003007694 557781208 /nfs/dbraw/zinc/78/12/08/557781208.db2.gz PHZKCWASYLILNQ-UHFFFAOYSA-N 1 0 400.479 0.751 50 0 HCAARO NS(=O)(=O)c1ccc(CC[NH2+]C[C@H](O)COCc2ccc3c(c2)OCO3)cc1 ZINC000003293475 568852712 /nfs/dbraw/zinc/85/27/12/568852712.db2.gz PYTUYIALNYYRJE-INIZCTEOSA-N 1 0 408.476 0.773 50 0 HCAARO NS(=O)(=O)c1ccc(CC[NH2+]C[C@@H](O)COCc2ccc3c(c2)OCO3)cc1 ZINC000003293477 568874094 /nfs/dbraw/zinc/87/40/94/568874094.db2.gz PYTUYIALNYYRJE-MRXNPFEDSA-N 1 0 408.476 0.773 50 0 HCAARO COc1ccc(-n2nc(C(=O)NCC(=O)NCC[NH+](C)C)c3ccccc3c2=O)cc1 ZINC000003660354 568923449 /nfs/dbraw/zinc/92/34/49/568923449.db2.gz ZQFLAPFKIJFHAO-UHFFFAOYSA-N 1 0 423.473 0.802 50 0 HCAARO Cn1c2ccc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)cc2n(C)c(=O)c1=O ZINC000003958720 568930518 /nfs/dbraw/zinc/93/05/18/568930518.db2.gz LQHQHNZLXAILIM-UHFFFAOYSA-N 1 0 420.535 0.876 50 0 HCAARO Cn1c2nc(N3CCCCC3)n(CCCNC3=[NH+]CCCC3)c2c(=O)n(C)c1=O ZINC000004004343 568933043 /nfs/dbraw/zinc/93/30/43/568933043.db2.gz HUEFVFHHQJMQCE-UHFFFAOYSA-N 1 0 401.515 0.986 50 0 HCAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000004005097 291182139 /nfs/dbraw/zinc/18/21/39/291182139.db2.gz FTKSKOOPDXTDCR-RDJZCZTQSA-N 1 0 422.489 0.577 50 0 aggregator HCAARO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000004005098 568932996 /nfs/dbraw/zinc/93/29/96/568932996.db2.gz FTKSKOOPDXTDCR-WBVHZDCISA-N 1 0 422.489 0.577 50 0 aggregator HCAARO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[NH2+]C(CO)(CO)CO)cc1 ZINC000004058420 568936833 /nfs/dbraw/zinc/93/68/33/568936833.db2.gz ABLQNMRKVYKQCQ-GOSISDBHSA-N 1 0 400.475 0.983 50 0 HCAARO COc1ccc(-c2cc3ccccc3n2C[C@@H](O)C[NH2+]C(CO)(CO)CO)cc1 ZINC000004058421 568936730 /nfs/dbraw/zinc/93/67/30/568936730.db2.gz ABLQNMRKVYKQCQ-SFHVURJKSA-N 1 0 400.475 0.983 50 0 HCAARO Cn1c2nc(N3CCOCC3)n(CCCNC3=[NH+]CCCCC3)c2c(=O)n(C)c1=O ZINC000004167797 568948089 /nfs/dbraw/zinc/94/80/89/568948089.db2.gz GKOUOKFPGRUDDS-UHFFFAOYSA-N 1 0 417.514 0.223 50 0 HCAARO COCCCn1c(C)cn2c1nc1c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n1C ZINC000004251100 569071184 /nfs/dbraw/zinc/07/11/84/569071184.db2.gz AINCCQHRKYNXII-UHFFFAOYSA-N 1 0 402.499 0.980 50 0 HCAARO C[NH+](C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000004272826 568957693 /nfs/dbraw/zinc/95/76/93/568957693.db2.gz SJSRXTNLUUOSCL-IBGZPJMESA-N 1 0 413.522 0.937 50 0 HCAARO C[NH+](C)CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1 ZINC000004272827 568957633 /nfs/dbraw/zinc/95/76/33/568957633.db2.gz SJSRXTNLUUOSCL-LJQANCHMSA-N 1 0 413.522 0.937 50 0 HCAARO COc1ccc(CCNC(=[NH2+])CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000004285025 568959215 /nfs/dbraw/zinc/95/92/15/568959215.db2.gz LIFWASLXTZIWEB-UHFFFAOYSA-N 1 0 414.466 0.651 50 0 HCAARO COCCn1c(C)c(C)n2c1nc1c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n1C ZINC000004314370 568961486 /nfs/dbraw/zinc/96/14/86/568961486.db2.gz AZOQSHHQYYKXBH-UHFFFAOYSA-N 1 0 402.499 0.899 50 0 HCAARO COCCn1c(N2CC[NH+](Cc3ccc(C)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316548 568962346 /nfs/dbraw/zinc/96/23/46/568962346.db2.gz KZZBFDVFKWOWGE-UHFFFAOYSA-N 1 0 412.494 0.700 50 0 HCAARO COCCn1c(N2CC[NH+](CCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316556 557540418 /nfs/dbraw/zinc/54/04/18/557540418.db2.gz BLUKDPKNENKORB-UHFFFAOYSA-N 1 0 412.494 0.434 50 0 HCAARO CC[C@@H](C[NH2+]CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 ZINC000004336894 557543767 /nfs/dbraw/zinc/54/37/67/557543767.db2.gz PGBWXFCGBNMWLG-HNNXBMFYSA-N 1 0 400.483 0.254 50 0 HCAARO CC[C@H](C[NH2+]CCO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 ZINC000004336895 557543762 /nfs/dbraw/zinc/54/37/62/557543762.db2.gz PGBWXFCGBNMWLG-OAHLLOKOSA-N 1 0 400.483 0.254 50 0 HCAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccc(OC)cc2)CC1 ZINC000004386277 558486914 /nfs/dbraw/zinc/48/69/14/558486914.db2.gz UXZKSFWSCKGXOS-UHFFFAOYSA-N 1 0 412.494 0.817 50 0 HCAARO CCOc1ccc(N2C(=O)C[C@@H](NCCC[NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000004476101 557557202 /nfs/dbraw/zinc/55/72/02/557557202.db2.gz XPRHIJVZZLXCCU-GOSISDBHSA-N 1 0 402.495 0.894 50 0 HCAARO CCC[C@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](O)[C@H](O)[C@@H]2O)[N@H+](C)C1 ZINC000004486513 569364598 /nfs/dbraw/zinc/36/45/98/569364598.db2.gz KDLRVYVGXIQJDK-YVLCLDHESA-N 1 0 424.991 0.390 50 0 HCAARO O=C(CCN(CC[NH+]1CCCCC1)C(=O)c1cnccn1)NCCN1CCOCC1 ZINC000004506756 558621369 /nfs/dbraw/zinc/62/13/69/558621369.db2.gz GNKGCOHFTLELTP-UHFFFAOYSA-N 1 0 418.542 0.243 50 0 HCAARO C[NH+](C)CCCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 ZINC000004518884 558647837 /nfs/dbraw/zinc/64/78/37/558647837.db2.gz KVGQUDCHIGLZKS-KRWDZBQOSA-N 1 0 407.492 0.979 50 0 HCAARO C[NH+](C)CCCNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 ZINC000004518885 558647871 /nfs/dbraw/zinc/64/78/71/558647871.db2.gz KVGQUDCHIGLZKS-QGZVFWFLSA-N 1 0 407.492 0.979 50 0 HCAARO C[NH+](C)CCNC(=O)CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000004562704 558732617 /nfs/dbraw/zinc/73/26/17/558732617.db2.gz CGQAJVDZXUEBGO-UHFFFAOYSA-N 1 0 419.551 0.911 50 0 HCAARO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCC[NH+](C)C)c1 ZINC000004569660 560861339 /nfs/dbraw/zinc/86/13/39/560861339.db2.gz OCLDJCORABTFRA-MRXNPFEDSA-N 1 0 410.540 0.251 50 0 HCAARO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCC[NH+](C)C)c1 ZINC000004569663 560861307 /nfs/dbraw/zinc/86/13/07/560861307.db2.gz OCLDJCORABTFRA-INIZCTEOSA-N 1 0 410.540 0.251 50 0 HCAARO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000004569667 558734495 /nfs/dbraw/zinc/73/44/95/558734495.db2.gz RXOQDZYSIWQYEG-QGZVFWFLSA-N 1 0 424.567 0.641 50 0 HCAARO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000004569669 558734454 /nfs/dbraw/zinc/73/44/54/558734454.db2.gz RXOQDZYSIWQYEG-KRWDZBQOSA-N 1 0 424.567 0.641 50 0 HCAARO C[NH+](C)CCNC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1 ZINC000004586420 132279510 /nfs/dbraw/zinc/27/95/10/132279510.db2.gz CIEKTKINHWNZHL-NRFANRHFSA-N 1 0 424.549 0.739 50 0 HCAARO C[NH+](C)CCNC(=O)C(=O)NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1 ZINC000004586422 132279499 /nfs/dbraw/zinc/27/94/99/132279499.db2.gz CIEKTKINHWNZHL-OAQYLSRUSA-N 1 0 424.549 0.739 50 0 HCAARO Cn1c2nc(N3CCC[NH2+]CC3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000004626520 557574044 /nfs/dbraw/zinc/57/40/44/557574044.db2.gz JBFDJSHNNKJSAF-UHFFFAOYSA-N 1 0 402.886 0.935 50 0 HCAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000004682441 557580766 /nfs/dbraw/zinc/58/07/66/557580766.db2.gz XWEZPZPCORTCBB-QGZVFWFLSA-N 1 0 403.460 0.807 50 0 HCAARO COC(=O)c1ccc(N2C(=O)C[C@@H](NCCC[NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000004689635 557581401 /nfs/dbraw/zinc/58/14/01/557581401.db2.gz HCUDSHFZFQXKTP-QGZVFWFLSA-N 1 0 416.478 0.282 50 0 HCAARO CN(C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC[NH+](C)CC1 ZINC000004863547 559193429 /nfs/dbraw/zinc/19/34/29/559193429.db2.gz RQXDHQLSHYQKTG-UHFFFAOYSA-N 1 0 411.524 0.639 50 0 HCAARO COCCn1c(N2CC[NH+](Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004942607 559214152 /nfs/dbraw/zinc/21/41/52/559214152.db2.gz HXQNZHLPFZOZGZ-UHFFFAOYSA-N 1 0 412.494 0.700 50 0 HCAARO CC1CC[NH+](CCCNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)CC1 ZINC000005026239 559230383 /nfs/dbraw/zinc/23/03/83/559230383.db2.gz LIDJWYFXQYQJTA-UHFFFAOYSA-N 1 0 408.524 0.638 50 0 HCAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@]21c2cc(F)ccc2NC1=O ZINC000005351065 560569032 /nfs/dbraw/zinc/56/90/32/560569032.db2.gz LSIHBDZYFRHXHK-FHCKRJPBSA-N 1 0 402.426 0.610 50 0 HCAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000005490809 560597430 /nfs/dbraw/zinc/59/74/30/560597430.db2.gz FTKSKOOPDXTDCR-DOTOQJQBSA-N 1 0 422.489 0.577 50 0 aggregator HCAARO CC[NH+]1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)c2ccccc2)CC1 ZINC000005896415 568828596 /nfs/dbraw/zinc/82/85/96/568828596.db2.gz QPTRHMFBJGKSND-INIZCTEOSA-N 1 0 412.494 0.309 50 0 HCAARO CC[NH+]1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H](O)c2ccccc2)CC1 ZINC000005896425 568828612 /nfs/dbraw/zinc/82/86/12/568828612.db2.gz QPTRHMFBJGKSND-MRXNPFEDSA-N 1 0 412.494 0.309 50 0 HCAARO Cn1c2ncn(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000006413684 569046891 /nfs/dbraw/zinc/04/68/91/569046891.db2.gz RMYLUNHTUMVMLX-UHFFFAOYSA-N 1 0 410.478 0.215 50 0 HCAARO Cn1c2nc(N3CC[NH2+]CC3)n(Cc3ccc(Br)cc3)c2c(=O)[nH]c1=O ZINC000006444843 569052854 /nfs/dbraw/zinc/05/28/54/569052854.db2.gz MIXKYAFETUEPLH-UHFFFAOYSA-N 1 0 419.283 0.644 50 0 HCAARO Cn1c2ncn(CC(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c2c(=O)n(C)c1=O ZINC000006657918 569083288 /nfs/dbraw/zinc/08/32/88/569083288.db2.gz MZOHOMHSIDWAFQ-ZDUSSCGKSA-N 1 0 416.507 0.449 50 0 HCAARO Cn1c2ncn(CC(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)c2c(=O)n(C)c1=O ZINC000006657919 569083300 /nfs/dbraw/zinc/08/33/00/569083300.db2.gz MZOHOMHSIDWAFQ-CYBMUJFWSA-N 1 0 416.507 0.449 50 0 HCAARO Cn1c2nc(N3CCC[NH2+]CC3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000006668050 557712944 /nfs/dbraw/zinc/71/29/44/557712944.db2.gz DYGQLYLDEVFDDI-UHFFFAOYSA-N 1 0 402.886 0.935 50 0 HCAARO CCn1cc(C(=O)NCC(=O)NCCC[NH+](C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000006760229 569113361 /nfs/dbraw/zinc/11/33/61/569113361.db2.gz HTQQLSBYOKOMTI-UHFFFAOYSA-N 1 0 402.451 0.548 50 0 HCAARO CCn1c2sc3c(c2c(=O)n(CC(=O)NCCCC[NH3+])c1=O)CC(C)(C)OC3 ZINC000006760830 569114280 /nfs/dbraw/zinc/11/42/80/569114280.db2.gz HQXJUIOGFTTWRI-UHFFFAOYSA-N 1 0 408.524 0.951 50 0 HCAARO CCCn1c2sc3c(c2c(=O)n(CC(=O)NCCC[NH3+])c1=O)CC(C)(C)OC3 ZINC000006764425 569114420 /nfs/dbraw/zinc/11/44/20/569114420.db2.gz HSRKAOZIRIPYNP-UHFFFAOYSA-N 1 0 408.524 0.951 50 0 HCAARO Cc1nc2c(c(C)c1CCC(=O)NCC[NH+]1CCCCC1)c(=O)n(C)c(=O)n2C ZINC000006772871 569118212 /nfs/dbraw/zinc/11/82/12/569118212.db2.gz GIEVQZLSWLELNQ-UHFFFAOYSA-N 1 0 401.511 0.784 50 0 HCAARO CCCC[N@H+](C)CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000006894328 569175683 /nfs/dbraw/zinc/17/56/83/569175683.db2.gz BSANTWBCWZGQAN-QGZVFWFLSA-N 1 0 404.577 0.514 50 0 HCAARO CCCC[N@H+](C)CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000006894329 569175718 /nfs/dbraw/zinc/17/57/18/569175718.db2.gz BSANTWBCWZGQAN-KRWDZBQOSA-N 1 0 404.577 0.514 50 0 HCAARO CN1CCN(c2nnc(-n3cccc3C[NH2+]CCCN3CCOCC3)s2)CC1 ZINC000007002061 569198920 /nfs/dbraw/zinc/19/89/20/569198920.db2.gz YWIXBELWHTWVPX-UHFFFAOYSA-N 1 0 405.572 0.893 50 0 HCAARO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+]CCCN2CCOCC2)c1 ZINC000007002165 569198895 /nfs/dbraw/zinc/19/88/95/569198895.db2.gz BWAUXIQJCLASCW-UHFFFAOYSA-N 1 0 418.947 0.841 50 0 HCAARO CC[NH+](CC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(S(=O)(=O)CC)CC2 ZINC000007006131 569199241 /nfs/dbraw/zinc/19/92/41/569199241.db2.gz NIQKOCKFQYNZRY-UHFFFAOYSA-N 1 0 415.556 0.892 50 0 biogenic HCAARO Cn1c2ncn(CC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)c2c(=O)n(C)c1=O ZINC000007988155 568965622 /nfs/dbraw/zinc/96/56/22/568965622.db2.gz FZXVONXVIPIFGH-INIZCTEOSA-N 1 0 410.478 0.387 50 0 HCAARO Cn1c2ncn(CC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)c2c(=O)n(C)c1=O ZINC000007988156 568965637 /nfs/dbraw/zinc/96/56/37/568965637.db2.gz FZXVONXVIPIFGH-MRXNPFEDSA-N 1 0 410.478 0.387 50 0 HCAARO Cn1cnc2c1c(=O)n(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c(=O)n2C ZINC000008185293 568980328 /nfs/dbraw/zinc/98/03/28/568980328.db2.gz ARBNJNZMASARNL-UHFFFAOYSA-N 1 0 410.478 0.346 50 0 HCAARO Cn1c2ncn(CC(=O)NCC3([NH+]4CCCCC4)CCCCC3)c2c(=O)n(C)c1=O ZINC000008215933 568982994 /nfs/dbraw/zinc/98/29/94/568982994.db2.gz QCNKJZYOONWPDA-UHFFFAOYSA-N 1 0 416.526 0.739 50 0 HCAARO Cn1c2ncn(CCCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000008278657 568987084 /nfs/dbraw/zinc/98/70/84/568987084.db2.gz MIFGCGIIGYYKCY-QGZVFWFLSA-N 1 0 424.505 0.605 50 0 HCAARO Cn1c2ncn(CCCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c2c(=O)n(C)c1=O ZINC000008278664 568987156 /nfs/dbraw/zinc/98/71/56/568987156.db2.gz MIFGCGIIGYYKCY-KRWDZBQOSA-N 1 0 424.505 0.605 50 0 HCAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Br)c1OC ZINC000008469815 557791707 /nfs/dbraw/zinc/79/17/07/557791707.db2.gz PRXXYSMLVWCUTJ-UHFFFAOYSA-N 1 0 400.233 0.951 50 0 HCAARO Cc1cn2c3c(nc2n1CC[NH+]1CCN(c2ccccc2)CC1)n(C)c(=O)n(C)c3=O ZINC000008725042 132332641 /nfs/dbraw/zinc/33/26/41/132332641.db2.gz SIQVZXNXSNELEK-UHFFFAOYSA-N 1 0 421.505 0.817 50 0 HCAARO Cn1cnc2c1c(=O)n(CC(=O)NCC1([NH+]3CCCCC3)CCCCC1)c(=O)n2C ZINC000008744879 557804649 /nfs/dbraw/zinc/80/46/49/557804649.db2.gz GLZBFMHOZMQBJS-UHFFFAOYSA-N 1 0 416.526 0.739 50 0 HCAARO CS(=O)(=O)N1CCN(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000008745312 557804783 /nfs/dbraw/zinc/80/47/83/557804783.db2.gz IVDZHXQLSFZVDR-UHFFFAOYSA-N 1 0 408.524 0.441 50 0 HCAARO C[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008764455 571114650 /nfs/dbraw/zinc/11/46/50/571114650.db2.gz LYDRKLLRJPSPQV-ZDUSSCGKSA-N 1 0 411.462 0.920 50 0 biogenic HCAARO CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc3c(c1)OCO3)C2=O ZINC000008769193 571116378 /nfs/dbraw/zinc/11/63/78/571116378.db2.gz FXYYZKYNNUUSTK-UHFFFAOYSA-N 1 0 402.451 0.828 50 0 HCAARO COc1ccc(C(=O)NCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1OC ZINC000008914422 571150270 /nfs/dbraw/zinc/15/02/70/571150270.db2.gz KZVICSQLCMHBQG-UHFFFAOYSA-N 1 0 413.478 0.820 50 0 HCAARO COc1cccc(C(=O)NCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)c1OC ZINC000008915068 571150474 /nfs/dbraw/zinc/15/04/74/571150474.db2.gz RLPFUDBYDGAZND-UHFFFAOYSA-N 1 0 413.478 0.820 50 0 HCAARO COCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@]3(c4cc(C)ccc4NC3=O)[C@H]2C1=O ZINC000008971925 571197243 /nfs/dbraw/zinc/19/72/43/571197243.db2.gz PMHUHHUBVGXDOS-CTRXZIQJSA-N 1 0 414.462 0.017 50 0 HCAARO COCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@@]3(c4cc(C)ccc4NC3=O)[C@H]2C1=O ZINC000008971927 571197166 /nfs/dbraw/zinc/19/71/66/571197166.db2.gz PMHUHHUBVGXDOS-OHKKWDFDSA-N 1 0 414.462 0.017 50 0 HCAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000009059735 132335262 /nfs/dbraw/zinc/33/52/62/132335262.db2.gz MKESCRVZMANPAZ-UHFFFAOYSA-N 1 0 407.478 0.807 50 0 HCAARO COC(=O)C1=C(N)Oc2cc(C)n(CC[NH+](C)C)c(=O)c2[C@@]12c1ccccc1NC2=O ZINC000009130543 571227501 /nfs/dbraw/zinc/22/75/01/571227501.db2.gz VNNTWBVNBPPCHK-QFIPXVFZSA-N 1 0 424.457 0.692 50 0 HCAARO COC(=O)C1=C(N)Oc2cc(C)n(CC[NH+](C)C)c(=O)c2[C@]12c1ccccc1NC2=O ZINC000009130544 571227495 /nfs/dbraw/zinc/22/74/95/571227495.db2.gz VNNTWBVNBPPCHK-JOCHJYFZSA-N 1 0 424.457 0.692 50 0 HCAARO CCn1cc(C(=O)NCCC(=O)NCCC[NH+](C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000009184437 571234707 /nfs/dbraw/zinc/23/47/07/571234707.db2.gz GBXITQZEIRTRHR-UHFFFAOYSA-N 1 0 416.478 0.938 50 0 HCAARO O=C(CCNC(=O)c1ccc2c(c1)OCO2)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009185667 571234895 /nfs/dbraw/zinc/23/48/95/571234895.db2.gz SUVFBIZTFUOPNU-UHFFFAOYSA-N 1 0 411.462 0.922 50 0 HCAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2ncccn2)CC1 ZINC000009210103 571236851 /nfs/dbraw/zinc/23/68/51/571236851.db2.gz MJGHQSOXSBVXHX-UHFFFAOYSA-N 1 0 416.511 0.148 50 0 HCAARO CCn1cc(C(=O)N[C@@H](C)C(=O)NCCC[NH+](C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000009306754 571246697 /nfs/dbraw/zinc/24/66/97/571246697.db2.gz GASNRVNZRXYIJL-ZDUSSCGKSA-N 1 0 416.478 0.936 50 0 HCAARO COc1cc(OC)cc(C(=O)NCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)c1 ZINC000009418676 571256563 /nfs/dbraw/zinc/25/65/63/571256563.db2.gz CVPDXYOIVUZDKC-UHFFFAOYSA-N 1 0 413.478 0.820 50 0 HCAARO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000009491147 571262753 /nfs/dbraw/zinc/26/27/53/571262753.db2.gz QQNYULZPCVNBOG-UHFFFAOYSA-N 1 0 412.497 0.631 50 0 HCAARO CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C(=O)OCC)CC1)C2=O ZINC000009660744 571277368 /nfs/dbraw/zinc/27/73/68/571277368.db2.gz YFJYCSVFEMUKFY-UHFFFAOYSA-N 1 0 409.487 0.084 50 0 HCAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1F ZINC000009995041 571293928 /nfs/dbraw/zinc/29/39/28/571293928.db2.gz XGQYCZFAQKXCCE-MRXNPFEDSA-N 1 0 421.450 0.946 50 0 HCAARO O=C(C[NH+]1CCC(C(=O)N2CCOCC2)CC1)N1CCN(c2ccccc2)CC1 ZINC000010054157 132244457 /nfs/dbraw/zinc/24/44/57/132244457.db2.gz HXDFSCQARWGEEQ-UHFFFAOYSA-N 1 0 400.523 0.906 50 0 HCAARO CC1=NN(CC[N@@H+]2CCc3ccccc3C2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000010108816 557854995 /nfs/dbraw/zinc/85/49/95/557854995.db2.gz CIILCYGTYWSGAV-UHFFFAOYSA-N 1 0 407.478 0.688 50 0 HCAARO Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccccc1)=NN3CC[NH+]1CCCC1 ZINC000010109019 557854929 /nfs/dbraw/zinc/85/49/29/557854929.db2.gz CTWPFIIDRLYVCZ-UHFFFAOYSA-N 1 0 407.478 0.754 50 0 HCAARO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1C(=O)N1CCOCC1 ZINC000010450167 558257652 /nfs/dbraw/zinc/25/76/52/558257652.db2.gz NDPQQOJVLFOZNO-UHFFFAOYSA-N 1 0 411.524 0.932 50 0 HCAARO COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC[NH+]2CCCCC2)cc1OC ZINC000011719660 1081046178 /nfs/dbraw/zinc/04/61/78/1081046178.db2.gz AUTZIRGVHSZGRZ-SFHVURJKSA-N 1 0 418.538 0.996 50 0 HCAARO COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC[NH+]2CCCCC2)cc1OC ZINC000011719671 1081046200 /nfs/dbraw/zinc/04/62/00/1081046200.db2.gz AUTZIRGVHSZGRZ-GOSISDBHSA-N 1 0 418.538 0.996 50 0 HCAARO O=C(NC[C@H](c1ccncc1)N1CCOCC1)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000011753840 558272544 /nfs/dbraw/zinc/27/25/44/558272544.db2.gz IPKRJSZXMBOKGN-HXUWFJFHSA-N 1 0 413.526 0.962 50 0 HCAARO O=C(NC[C@@H](c1ccncc1)N1CCOCC1)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000011753841 558272553 /nfs/dbraw/zinc/27/25/53/558272553.db2.gz IPKRJSZXMBOKGN-FQEVSTJZSA-N 1 0 413.526 0.962 50 0 HCAARO O=C([C@@H]1CCC(=O)N(CCCN2CCOCC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000011815972 1080642796 /nfs/dbraw/zinc/64/27/96/1080642796.db2.gz ZAUAKGVVLVHEPB-LJQANCHMSA-N 1 0 415.538 0.691 50 0 HCAARO O=C([C@H]1CCC(=O)N(CCCN2CCOCC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000011815974 1080642777 /nfs/dbraw/zinc/64/27/77/1080642777.db2.gz ZAUAKGVVLVHEPB-IBGZPJMESA-N 1 0 415.538 0.691 50 0 HCAARO CC(=O)CCC(=O)N1CCc2nnc([C@@H](CC(C)C)NC(=O)C[NH+](C)C)n2CC1 ZINC000011868026 1080794175 /nfs/dbraw/zinc/79/41/75/1080794175.db2.gz QQDGKAJSPXMXTI-MRXNPFEDSA-N 1 0 406.531 0.797 50 0 HCAARO CC(=O)CCC(=O)N1CCc2nnc([C@H](CC(C)C)NC(=O)C[NH+](C)C)n2CC1 ZINC000011868029 1080794048 /nfs/dbraw/zinc/79/40/48/1080794048.db2.gz QQDGKAJSPXMXTI-INIZCTEOSA-N 1 0 406.531 0.797 50 0 HCAARO COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000011878541 559265037 /nfs/dbraw/zinc/26/50/37/559265037.db2.gz FOYGDAFZTIVYPI-IBGZPJMESA-N 1 0 421.538 0.869 50 0 HCAARO COc1cc(C[NH2+]CCCN2CCCC2=O)ccc1OC[C@H](O)CN1CCOCC1 ZINC000011878542 559265053 /nfs/dbraw/zinc/26/50/53/559265053.db2.gz FOYGDAFZTIVYPI-LJQANCHMSA-N 1 0 421.538 0.869 50 0 HCAARO C[NH+](C)CCNC(=O)c1cn(C2CCN(S(=O)(=O)c3ccccc3F)CC2)nn1 ZINC000011880377 1080818270 /nfs/dbraw/zinc/81/82/70/1080818270.db2.gz PTMJUZRHNZSXIC-UHFFFAOYSA-N 1 0 424.502 0.734 50 0 HCAARO Cn1cccc1[C@@H](CNC(=O)C(=O)NCCN1CCOCC1)[NH+]1CCCCCC1 ZINC000011898743 559265433 /nfs/dbraw/zinc/26/54/33/559265433.db2.gz OVPQDMYMOBHASY-LJQANCHMSA-N 1 0 405.543 0.507 50 0 HCAARO Cn1cccc1[C@H](CNC(=O)C(=O)NCCN1CCOCC1)[NH+]1CCCCCC1 ZINC000011898744 559265478 /nfs/dbraw/zinc/26/54/78/559265478.db2.gz OVPQDMYMOBHASY-IBGZPJMESA-N 1 0 405.543 0.507 50 0 HCAARO CCS(=O)(=O)c1ncc(CN(C)CCCC[NH+]2CCOCC2)n1CCOC ZINC000011936378 1080882062 /nfs/dbraw/zinc/88/20/62/1080882062.db2.gz ZYEPINGLAKLSRX-UHFFFAOYSA-N 1 0 402.561 0.867 50 0 HCAARO C[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)[NH+]1CCCC1 ZINC000011998442 559270444 /nfs/dbraw/zinc/27/04/44/559270444.db2.gz RWDKKMMEDXVXMK-ZDUSSCGKSA-N 1 0 401.510 0.516 50 0 HCAARO C[C@H](CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)[NH+]1CCCC1 ZINC000011998444 559270380 /nfs/dbraw/zinc/27/03/80/559270380.db2.gz RWDKKMMEDXVXMK-CYBMUJFWSA-N 1 0 401.510 0.516 50 0 HCAARO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011998447 559270418 /nfs/dbraw/zinc/27/04/18/559270418.db2.gz GISIMHHHZVZTIN-ZDUSSCGKSA-N 1 0 403.526 0.762 50 0 HCAARO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000011998449 559270463 /nfs/dbraw/zinc/27/04/63/559270463.db2.gz GISIMHHHZVZTIN-CYBMUJFWSA-N 1 0 403.526 0.762 50 0 HCAARO COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCCC[NH+](C)C ZINC000012004577 536672436 /nfs/dbraw/zinc/67/24/36/536672436.db2.gz AWIWWVFIFGGHMG-UHFFFAOYSA-N 1 0 405.542 0.855 50 0 HCAARO Cc1nonc1CC(=O)N1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000012301968 1081240099 /nfs/dbraw/zinc/24/00/99/1081240099.db2.gz MFEOPMSFJRFRGD-SFHVURJKSA-N 1 0 419.526 0.919 50 0 HCAARO Cc1nonc1CC(=O)N1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000012301971 1081240076 /nfs/dbraw/zinc/24/00/76/1081240076.db2.gz MFEOPMSFJRFRGD-GOSISDBHSA-N 1 0 419.526 0.919 50 0 HCAARO Cn1c(=O)c2c3nnc(SCC[NH+](C)C)n3c(-c3ccccc3)nc2n(C)c1=O ZINC000012390178 568693816 /nfs/dbraw/zinc/69/38/16/568693816.db2.gz JQSUJPQGKPSHNL-UHFFFAOYSA-N 1 0 411.491 0.996 50 0 HCAARO COc1ccc(C(=O)Cn2c(NCC[NH+](C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000012442725 568724834 /nfs/dbraw/zinc/72/48/34/568724834.db2.gz DKKDEPCDNGNSTO-UHFFFAOYSA-N 1 0 400.439 0.288 50 0 HCAARO O[C@@H]1CCC[N@@H+](C2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)C1 ZINC000012459085 132360869 /nfs/dbraw/zinc/36/08/69/132360869.db2.gz GALXUNDJSUIZCY-CQSZACIVSA-N 1 0 405.528 0.992 50 0 HCAARO O[C@H]1CCC[N@@H+](C2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)C1 ZINC000012459086 132360871 /nfs/dbraw/zinc/36/08/71/132360871.db2.gz GALXUNDJSUIZCY-AWEZNQCLSA-N 1 0 405.528 0.992 50 0 HCAARO CCOC(=O)CN(C)Cc1cc(OC)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000012578407 1081145371 /nfs/dbraw/zinc/14/53/71/1081145371.db2.gz AVHVCTVQLIOEIX-SFHVURJKSA-N 1 0 410.511 0.887 50 0 HCAARO CCOC(=O)CN(C)Cc1cc(OC)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000012578414 1081145393 /nfs/dbraw/zinc/14/53/93/1081145393.db2.gz AVHVCTVQLIOEIX-GOSISDBHSA-N 1 0 410.511 0.887 50 0 HCAARO COc1cc(C[NH2+]CCN2CCOC2=O)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012581975 558432900 /nfs/dbraw/zinc/43/29/00/558432900.db2.gz VMXGYAUMICOGDO-KRWDZBQOSA-N 1 0 409.483 0.309 50 0 HCAARO COc1cc(C[NH2+]CCN2CCOC2=O)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012581982 558432829 /nfs/dbraw/zinc/43/28/29/558432829.db2.gz VMXGYAUMICOGDO-QGZVFWFLSA-N 1 0 409.483 0.309 50 0 HCAARO COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC[NH+]2CCCCC2)c1OC ZINC000012589345 558435107 /nfs/dbraw/zinc/43/51/07/558435107.db2.gz HAVRQYFOZOWXGB-SFHVURJKSA-N 1 0 418.538 0.996 50 0 HCAARO COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCC[NH+]2CCCCC2)c1OC ZINC000012589352 558435020 /nfs/dbraw/zinc/43/50/20/558435020.db2.gz HAVRQYFOZOWXGB-GOSISDBHSA-N 1 0 418.538 0.996 50 0 HCAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000012589955 132364629 /nfs/dbraw/zinc/36/46/29/132364629.db2.gz VYMZYQHKKXDKTD-UHFFFAOYSA-N 1 0 422.489 0.945 50 0 HCAARO CC(C)C[N@@H+]1CC[C@@H](CN(C)C(=O)CCCn2nnnc2CN2CCOCC2)C1 ZINC000012710883 558452374 /nfs/dbraw/zinc/45/23/74/558452374.db2.gz MSQLNIMXDLLTDB-SFHVURJKSA-N 1 0 407.563 0.722 50 0 HCAARO CC(C)C[N@@H+]1CC[C@H](CN(C)C(=O)CCCn2nnnc2CN2CCOCC2)C1 ZINC000012710889 558452434 /nfs/dbraw/zinc/45/24/34/558452434.db2.gz MSQLNIMXDLLTDB-GOSISDBHSA-N 1 0 407.563 0.722 50 0 HCAARO O=C(CCn1nnnc1CN1CCOCC1)NCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000012715379 558454859 /nfs/dbraw/zinc/45/48/59/558454859.db2.gz FIPWIXPNWGTDGS-LJQANCHMSA-N 1 0 413.526 0.501 50 0 HCAARO O=C(CCn1nnnc1CN1CCOCC1)NCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000012715384 558454866 /nfs/dbraw/zinc/45/48/66/558454866.db2.gz FIPWIXPNWGTDGS-IBGZPJMESA-N 1 0 413.526 0.501 50 0 HCAARO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[NH+]1CCC(C(N)=O)CC1 ZINC000012791456 558465801 /nfs/dbraw/zinc/46/58/01/558465801.db2.gz QYIOSXLWUAOWMZ-OAHLLOKOSA-N 1 0 408.524 0.105 50 0 HCAARO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[NH+]1CCC(C(N)=O)CC1 ZINC000012791458 558465748 /nfs/dbraw/zinc/46/57/48/558465748.db2.gz QYIOSXLWUAOWMZ-HNNXBMFYSA-N 1 0 408.524 0.105 50 0 HCAARO C[C@@H]1CN(Cc2nnnn2CC(=O)N(CC[NH+](C)C)Cc2ccccc2)C[C@H](C)O1 ZINC000012835127 558477909 /nfs/dbraw/zinc/47/79/09/558477909.db2.gz YQPNDALAFJCEMY-HDICACEKSA-N 1 0 415.542 0.873 50 0 HCAARO C[C@@H]1CN(Cc2nnnn2CC(=O)N2CCC([NH+]3CCSCC3)CC2)C[C@H](C)O1 ZINC000012836796 558478464 /nfs/dbraw/zinc/47/84/64/558478464.db2.gz JIHDPCPAVDUFSC-IYBDPMFKSA-N 1 0 423.587 0.322 50 0 HCAARO NS(=O)(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000012980185 569042710 /nfs/dbraw/zinc/04/27/10/569042710.db2.gz PPLTYJGAJATSAV-OAHLLOKOSA-N 1 0 424.523 0.233 50 0 HCAARO NS(=O)(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000012980187 569042693 /nfs/dbraw/zinc/04/26/93/569042693.db2.gz PPLTYJGAJATSAV-HNNXBMFYSA-N 1 0 424.523 0.233 50 0 HCAARO CC(C)[NH+](CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(C)C ZINC000013001115 558500404 /nfs/dbraw/zinc/50/04/04/558500404.db2.gz GCELBODFSBMPKP-UHFFFAOYSA-N 1 0 410.540 0.656 50 0 HCAARO CC1(C)CC(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC(C)(C)[NH2+]1 ZINC000013012000 558503224 /nfs/dbraw/zinc/50/32/24/558503224.db2.gz NDAKKNWCXLVLHY-UHFFFAOYSA-N 1 0 422.551 0.846 50 0 HCAARO CC[NH+](CC)CCn1c(N)cc(=O)n(CC(=O)NCCSc2ccccc2)c1=O ZINC000013016734 558503977 /nfs/dbraw/zinc/50/39/77/558503977.db2.gz FOQMDIODQQLZLR-UHFFFAOYSA-N 1 0 419.551 0.843 50 0 HCAARO Cn1c(NCC[NH3+])nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C ZINC000013513028 558536167 /nfs/dbraw/zinc/53/61/67/558536167.db2.gz CYGZJYZECNWBLQ-UHFFFAOYSA-N 1 0 407.272 0.615 50 0 HCAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2cc(F)ccc2NC1=O ZINC000013576087 558543372 /nfs/dbraw/zinc/54/33/72/558543372.db2.gz LSIHBDZYFRHXHK-UOFMYRISSA-N 1 0 402.426 0.610 50 0 HCAARO COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCC[NH+](C)C)C(=O)[C@@H]1C2 ZINC000013728055 558585354 /nfs/dbraw/zinc/58/53/54/558585354.db2.gz ONVOQVFIGFVMGK-INIZCTEOSA-N 1 0 418.494 0.851 50 0 HCAARO CC(=O)Cn1c(=O)c2c(nc3n(CCC[NH+]4CCOCC4)c(C)c(C)n32)n(C)c1=O ZINC000013733735 558587815 /nfs/dbraw/zinc/58/78/15/558587815.db2.gz SKYCBJKCGRIDHA-UHFFFAOYSA-N 1 0 416.482 0.078 50 0 HCAARO Cn1c2nc(NCC[NH3+])n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000013749770 558589450 /nfs/dbraw/zinc/58/94/50/558589450.db2.gz ROORQZUPMNIJCD-UHFFFAOYSA-N 1 0 407.272 0.615 50 0 HCAARO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000014101084 558620330 /nfs/dbraw/zinc/62/03/30/558620330.db2.gz NAFFOZDKRPCNJM-UHFFFAOYSA-N 1 0 407.496 0.027 50 0 HCAARO [NH3+]CCCC[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccc(F)cc4)c3)CCN2C1=O ZINC000014530802 558655791 /nfs/dbraw/zinc/65/57/91/558655791.db2.gz QDMAKWPNNQDVAQ-RBUKOAKNSA-N 1 0 414.485 0.652 50 0 HCAARO Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)c1 ZINC000014540964 558659916 /nfs/dbraw/zinc/65/99/16/558659916.db2.gz JMSLBAQWOBNFHU-JKSUJKDBSA-N 1 0 408.524 0.132 50 0 HCAARO CN1C(=O)[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C(=O)[C@@H]1CO ZINC000014541365 558660182 /nfs/dbraw/zinc/66/01/82/558660182.db2.gz FRPGRZSXVDITPW-MSOLQXFVSA-N 1 0 406.552 0.580 50 0 HCAARO Cc1nn(C)cc1C[NH+]1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CCC(C)C ZINC000014542662 558660660 /nfs/dbraw/zinc/66/06/60/558660660.db2.gz MGKLPEXWYZJFPN-UHFFFAOYSA-N 1 0 404.515 0.859 50 0 HCAARO COC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CCc1ccccc1 ZINC000014542941 568915676 /nfs/dbraw/zinc/91/56/76/568915676.db2.gz YTBLAHRGYBTMHY-MRXNPFEDSA-N 1 0 402.495 0.848 50 0 HCAARO COC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CCc1ccccc1 ZINC000014542942 568915690 /nfs/dbraw/zinc/91/56/90/568915690.db2.gz YTBLAHRGYBTMHY-INIZCTEOSA-N 1 0 402.495 0.848 50 0 HCAARO O=C1[C@@H]2C[C@@H](O)CN2C(=O)[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)s3)CCN12 ZINC000014543180 558660862 /nfs/dbraw/zinc/66/08/62/558660862.db2.gz YNVMOQPGBJEEDO-AYOQOUSVSA-N 1 0 418.563 0.722 50 0 HCAARO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(CC(N)=O)C(=O)N3CCc2ccccc2)cn1 ZINC000014733724 558666377 /nfs/dbraw/zinc/66/63/77/558666377.db2.gz DSTGZXOVPNOQLH-UHFFFAOYSA-N 1 0 424.505 0.747 50 0 HCAARO Cc1ccc(-n2cc(CN3CCN4C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]4C3)cn2)cc1 ZINC000014741494 558667222 /nfs/dbraw/zinc/66/72/22/558667222.db2.gz DCVHWNIFBKYDLT-VQTJNVASSA-N 1 0 410.522 0.821 50 0 HCAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(Br)cc3)CN2C1=O ZINC000014743996 558667994 /nfs/dbraw/zinc/66/79/94/558667994.db2.gz NNASRYYTIXWQDC-KKUMJFAQSA-N 1 0 423.311 0.776 50 0 HCAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](Cc1cnn(C)c1C)CC2 ZINC000014744509 558668471 /nfs/dbraw/zinc/66/84/71/558668471.db2.gz MKJVBAXUGYDUQC-UHFFFAOYSA-N 1 0 407.471 0.147 50 0 HCAARO CCn1cc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)c(C)n1 ZINC000014745066 569271807 /nfs/dbraw/zinc/27/18/07/569271807.db2.gz KQYIGXBPMJJJBJ-UFYCRDLUSA-N 1 0 411.506 0.986 50 0 HCAARO Cn1cc(CN2CCN3C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]3C2)c(-c2ccccc2)n1 ZINC000014745454 558668937 /nfs/dbraw/zinc/66/89/37/558668937.db2.gz AHSXKKYXICCBLG-RBUKOAKNSA-N 1 0 410.522 0.727 50 0 HCAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014746043 558669075 /nfs/dbraw/zinc/66/90/75/558669075.db2.gz JLXFGMQFOSICHX-UHFFFAOYSA-N 1 0 405.451 0.810 50 0 HCAARO Cn1nc(C(C)(C)C)cc1C(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](CCCC[NH3+])C(=O)N2C1 ZINC000014747196 558669454 /nfs/dbraw/zinc/66/94/54/558669454.db2.gz UJNMEJNDJRFOFN-YDHLFZDLSA-N 1 0 404.515 0.044 50 0 HCAARO C[C@H](O)[C@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3nc(-c4ccc(F)cc4)cs3)CN2C1=O ZINC000014747347 558669471 /nfs/dbraw/zinc/66/94/71/558669471.db2.gz CEIYJEZTMLHECU-CDUAKIRFSA-N 1 0 404.467 0.888 50 0 HCAARO C[C@H](O)[C@H]1NC(=O)[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014748633 558670048 /nfs/dbraw/zinc/67/00/48/558670048.db2.gz WKDLRDSLQZFKMT-BMGDILEWSA-N 1 0 406.552 0.626 50 0 HCAARO O=C(Nc1ccc2c(c1)CCC2)[C@H]1C[NH2+]C[C@@H](C(=O)NCCN2CCOCC2)C1 ZINC000014749162 558670227 /nfs/dbraw/zinc/67/02/27/558670227.db2.gz RVSZRBHMKRVEBN-RBUKOAKNSA-N 1 0 400.523 0.788 50 0 HCAARO [NH3+]CCCC[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4ccccc4F)c3)CCN2C1=O ZINC000014749825 558670422 /nfs/dbraw/zinc/67/04/22/558670422.db2.gz AGMASYNCKWMQKF-PKOBYXMFSA-N 1 0 414.485 0.652 50 0 HCAARO C[C@@H](O)[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014749875 558670580 /nfs/dbraw/zinc/67/05/80/558670580.db2.gz WKDLRDSLQZFKMT-OLMNPRSZSA-N 1 0 406.552 0.626 50 0 HCAARO [NH3+]CCCC[C@@H]1NC(=O)[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000014751418 558670873 /nfs/dbraw/zinc/67/08/73/558670873.db2.gz VSIXAPNNIDNOIN-LSDHHAIUSA-N 1 0 412.412 0.986 50 0 HCAARO [NH3+]CCCC[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4cccc(F)c4)c3)CCN2C1=O ZINC000014753286 558671256 /nfs/dbraw/zinc/67/12/56/558671256.db2.gz HDYWKXAMYAYTPV-RBUKOAKNSA-N 1 0 414.485 0.652 50 0 HCAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](Cc1cn(C)nc1C)CC2 ZINC000014754176 558671566 /nfs/dbraw/zinc/67/15/66/558671566.db2.gz KCABPHQQKKRKQU-UHFFFAOYSA-N 1 0 407.471 0.147 50 0 HCAARO Cn1nnnc1SCC[NH2+]Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000014948592 558680206 /nfs/dbraw/zinc/68/02/06/558680206.db2.gz UCTWSIKFMNTWDG-INIZCTEOSA-N 1 0 408.528 0.164 50 0 HCAARO Cn1nnnc1SCC[NH2+]Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000014948595 558680237 /nfs/dbraw/zinc/68/02/37/558680237.db2.gz UCTWSIKFMNTWDG-MRXNPFEDSA-N 1 0 408.528 0.164 50 0 HCAARO COc1ccc(/C=C/C[N@H+]2CCc3nnc(CNC(=O)[C@@H]4CCC(=O)N4)n3CC2)cc1 ZINC000014979240 558690644 /nfs/dbraw/zinc/69/06/44/558690644.db2.gz ZFOMIAGFOXBMJG-DCKQQPRJSA-N 1 0 424.505 0.753 50 0 HCAARO COc1ccc(/C=C/C[N@H+]2CCc3nnc(CNC(=O)[C@H]4CCC(=O)N4)n3CC2)cc1 ZINC000014979244 558690699 /nfs/dbraw/zinc/69/06/99/558690699.db2.gz ZFOMIAGFOXBMJG-ZMUQKWFASA-N 1 0 424.505 0.753 50 0 HCAARO O=C(Cn1nnnc1CN1CCCC1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000015062016 558704971 /nfs/dbraw/zinc/70/49/71/558704971.db2.gz TWCIOWJPPSCITR-HXUWFJFHSA-N 1 0 409.538 0.971 50 0 HCAARO O=C(Cn1nnnc1CN1CCCC1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000015062018 558705086 /nfs/dbraw/zinc/70/50/86/558705086.db2.gz TWCIOWJPPSCITR-FQEVSTJZSA-N 1 0 409.538 0.971 50 0 HCAARO O=C(c1cn(CCN2CCOCC2)nn1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000015066503 558709439 /nfs/dbraw/zinc/70/94/39/558709439.db2.gz DLKMGGSDUBDTBK-UHFFFAOYSA-N 1 0 424.549 0.926 50 0 HCAARO COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000015067214 558710256 /nfs/dbraw/zinc/71/02/56/558710256.db2.gz YTRSMYZGGGIVNW-GOSISDBHSA-N 1 0 405.495 0.243 50 0 HCAARO COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000015067216 558710075 /nfs/dbraw/zinc/71/00/75/558710075.db2.gz YTRSMYZGGGIVNW-SFHVURJKSA-N 1 0 405.495 0.243 50 0 HCAARO COc1ccc([C@@H](CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[NH+]2CCCC2)cc1 ZINC000015329332 558733793 /nfs/dbraw/zinc/73/37/93/558733793.db2.gz XFCMLPJKMVEJIU-MRXNPFEDSA-N 1 0 422.507 0.208 50 0 HCAARO COc1ccc([C@H](CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[NH+]2CCCC2)cc1 ZINC000015329333 558733898 /nfs/dbraw/zinc/73/38/98/558733898.db2.gz XFCMLPJKMVEJIU-INIZCTEOSA-N 1 0 422.507 0.208 50 0 HCAARO COCC[N@@H+]1CCc2nc3sc(SCC(=O)N4CCCC4)nn3c(=O)c2C1 ZINC000015414164 558738663 /nfs/dbraw/zinc/73/86/63/558738663.db2.gz PCTYIXSUAFAVHO-UHFFFAOYSA-N 1 0 409.537 0.870 50 0 HCAARO CCCC[N@H+](C)CCCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2 ZINC000015731370 568981945 /nfs/dbraw/zinc/98/19/45/568981945.db2.gz VTFUBJZGXLATLW-UHFFFAOYSA-N 1 0 415.556 0.892 50 0 biogenic HCAARO C[NH+]1CCC(N(CCN2CCOCC2)C(=O)Cn2c3ccccc3oc2=O)CC1 ZINC000015736527 568985752 /nfs/dbraw/zinc/98/57/52/568985752.db2.gz YSHDWPCWYKLDPI-UHFFFAOYSA-N 1 0 402.495 0.850 50 0 HCAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCC[NH+](C)C)N2C(C)=O ZINC000015775933 568999287 /nfs/dbraw/zinc/99/92/87/568999287.db2.gz JDHPELHWOGWQJD-GOSISDBHSA-N 1 0 410.540 0.673 50 0 HCAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCC[NH+](C)C)N2C(C)=O ZINC000015775935 568999356 /nfs/dbraw/zinc/99/93/56/568999356.db2.gz JDHPELHWOGWQJD-SFHVURJKSA-N 1 0 410.540 0.673 50 0 HCAARO COCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000015862668 569015966 /nfs/dbraw/zinc/01/59/66/569015966.db2.gz IGGALVVKMZZBJF-UHFFFAOYSA-N 1 0 415.512 0.163 50 0 HCAARO O=C(CN(CCCN1CCCC1=O)S(=O)(=O)c1cccs1)N1CC[NH2+]CC1 ZINC000015864165 569016470 /nfs/dbraw/zinc/01/64/70/569016470.db2.gz FAGMPDADTOZDAM-UHFFFAOYSA-N 1 0 414.553 0.183 50 0 HCAARO O=C(CN(CCN1CCCCC1)S(=O)(=O)c1cccs1)N1CC[NH2+]CC1 ZINC000015864284 569016443 /nfs/dbraw/zinc/01/64/43/569016443.db2.gz KQWSPVLBPHZUPP-UHFFFAOYSA-N 1 0 400.570 0.657 50 0 HCAARO CS(=O)(=O)Nc1cc(C(=O)NCCCN2CCCC2=O)ccc1N1CC[NH2+]CC1 ZINC000015864321 569016412 /nfs/dbraw/zinc/01/64/12/569016412.db2.gz YTDUWWIVDLVLRX-UHFFFAOYSA-N 1 0 423.539 0.210 50 0 HCAARO NC(=O)CC[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000015957288 569024531 /nfs/dbraw/zinc/02/45/31/569024531.db2.gz COLBRIOPYCTKEV-FAODYONGSA-N 1 0 418.453 0.873 50 0 biogenic HCAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2cc(F)ccc2NC1=O ZINC000016021962 558767633 /nfs/dbraw/zinc/76/76/33/558767633.db2.gz MLSCSGIKTCSREV-NEVJAFOQSA-N 1 0 402.426 0.612 50 0 HCAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2cc(F)ccc2NC1=O ZINC000016021963 558767563 /nfs/dbraw/zinc/76/75/63/558767563.db2.gz MLSCSGIKTCSREV-YEOLMYPVSA-N 1 0 402.426 0.612 50 0 HCAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2cc(C)ccc2NC1=O ZINC000016022206 558767833 /nfs/dbraw/zinc/76/78/33/558767833.db2.gz PMHUHHUBVGXDOS-FKRHRZSBSA-N 1 0 414.462 0.017 50 0 HCAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2cc(C)ccc2NC1=O ZINC000016022207 558767876 /nfs/dbraw/zinc/76/78/76/558767876.db2.gz PMHUHHUBVGXDOS-CCFTVXDOSA-N 1 0 414.462 0.017 50 0 HCAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2cc(F)ccc2NC1=O ZINC000016025041 558768929 /nfs/dbraw/zinc/76/89/29/558768929.db2.gz DDBVAVQYPXIRPL-AUKZQPGHSA-N 1 0 402.426 0.610 50 0 HCAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2cc(F)ccc2NC1=O ZINC000016025043 558768757 /nfs/dbraw/zinc/76/87/57/558768757.db2.gz DDBVAVQYPXIRPL-IRHLFGLPSA-N 1 0 402.426 0.610 50 0 HCAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2cc(F)ccc2NC1=O ZINC000016025143 558768875 /nfs/dbraw/zinc/76/88/75/558768875.db2.gz LSIHBDZYFRHXHK-PJKOAEBMSA-N 1 0 402.426 0.610 50 0 HCAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016025260 558769134 /nfs/dbraw/zinc/76/91/34/558769134.db2.gz UMTAMAKRWCRPMM-OGECOPGMSA-N 1 0 408.252 0.836 50 0 HCAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016025262 558769093 /nfs/dbraw/zinc/76/90/93/558769093.db2.gz UMTAMAKRWCRPMM-MFOQEJQSSA-N 1 0 408.252 0.836 50 0 HCAARO NC(=O)CC[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000016032851 569027984 /nfs/dbraw/zinc/02/79/84/569027984.db2.gz RFMIGOSRXUAXGJ-PBWVOLNLSA-N 1 0 404.426 0.877 50 0 biogenic HCAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCC(=O)NC(C)(C)C ZINC000016322871 558786437 /nfs/dbraw/zinc/78/64/37/558786437.db2.gz IKBFCLSPSJXSGF-UHFFFAOYSA-N 1 0 420.470 0.474 50 0 HCAARO CCN1CCN(S(=O)(=O)c2ccc(N3CC[NH+](CC)CC3)c3nonc32)CC1 ZINC000017088067 558816833 /nfs/dbraw/zinc/81/68/33/558816833.db2.gz BLJVUDTVUILCNQ-UHFFFAOYSA-N 1 0 408.528 0.691 50 0 HCAARO COc1cccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 ZINC000018250398 558834802 /nfs/dbraw/zinc/83/48/02/558834802.db2.gz JNYWKULDSJFBBM-QGZVFWFLSA-N 1 0 403.460 0.807 50 0 HCAARO COc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000018250419 558834796 /nfs/dbraw/zinc/83/47/96/558834796.db2.gz XWEZPZPCORTCBB-KRWDZBQOSA-N 1 0 403.460 0.807 50 0 HCAARO CCOC(=O)c1cnc(SCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nc1N ZINC000019066623 568748652 /nfs/dbraw/zinc/74/86/52/568748652.db2.gz BNPAKSJVAHWMJI-CYBMUJFWSA-N 1 0 411.528 0.801 50 0 HCAARO CCOC(=O)c1cnc(SCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)nc1N ZINC000019066626 568748609 /nfs/dbraw/zinc/74/86/09/568748609.db2.gz BNPAKSJVAHWMJI-ZDUSSCGKSA-N 1 0 411.528 0.801 50 0 HCAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)CCn1nnnc1CN1CCOCC1 ZINC000019147145 558846777 /nfs/dbraw/zinc/84/67/77/558846777.db2.gz GBUHBIFPNLFHNI-UHFFFAOYSA-N 1 0 401.515 0.486 50 0 HCAARO O=C1c2ccccc2C(=O)N1CCNCC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000019228128 558852930 /nfs/dbraw/zinc/85/29/30/558852930.db2.gz MBSKUABJWFKWHL-UHFFFAOYSA-N 1 0 406.442 0.758 50 0 HCAARO Cn1c2nc(CN3CC[NH+](C)CC3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O ZINC000019289322 558862149 /nfs/dbraw/zinc/86/21/49/558862149.db2.gz VTKABFDTNQRXDU-UHFFFAOYSA-N 1 0 410.522 0.814 50 0 HCAARO OCCN1CC[NH+](C[C@@H](O)COCCOc2ccc(Br)cc2)CC1 ZINC000019369718 569124415 /nfs/dbraw/zinc/12/44/15/569124415.db2.gz CKFRQCMJSIAWOM-MRXNPFEDSA-N 1 0 403.317 0.815 50 0 HCAARO OCCN1CC[NH+](C[C@H](O)COCCOc2ccc(Br)cc2)CC1 ZINC000019369721 569124504 /nfs/dbraw/zinc/12/45/04/569124504.db2.gz CKFRQCMJSIAWOM-INIZCTEOSA-N 1 0 403.317 0.815 50 0 HCAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(CCOCCO)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369924 569124400 /nfs/dbraw/zinc/12/44/00/569124400.db2.gz XVSALQNXXRYARZ-WXVKEMSFSA-N 1 0 422.566 0.898 50 0 biogenic HCAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(CCOCCO)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000019369927 569124475 /nfs/dbraw/zinc/12/44/75/569124475.db2.gz XVSALQNXXRYARZ-AZJNXZCVSA-N 1 0 422.566 0.898 50 0 biogenic HCAARO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000019371168 569124611 /nfs/dbraw/zinc/12/46/11/569124611.db2.gz XWPQYCUHAIUILP-GOSISDBHSA-N 1 0 401.488 0.836 50 0 HCAARO CCOc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000019720421 558258992 /nfs/dbraw/zinc/25/89/92/558258992.db2.gz HHJXGTNKRRSRPS-LJQANCHMSA-N 1 0 414.506 0.957 50 0 HCAARO CCOc1ccc(N2C(=O)C[C@H](NCCC[NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000019809617 558286426 /nfs/dbraw/zinc/28/64/26/558286426.db2.gz XPRHIJVZZLXCCU-SFHVURJKSA-N 1 0 402.495 0.894 50 0 HCAARO CC[NH+]1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccccc2Cl)CC1 ZINC000019820917 558290377 /nfs/dbraw/zinc/29/03/77/558290377.db2.gz HIGQCCAOCOLBNZ-KRWDZBQOSA-N 1 0 421.929 0.633 50 0 HCAARO CC[NH+]1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccc2Cl)CC1 ZINC000019820919 558290324 /nfs/dbraw/zinc/29/03/24/558290324.db2.gz HIGQCCAOCOLBNZ-QGZVFWFLSA-N 1 0 421.929 0.633 50 0 HCAARO Cc1ccccc1OC[C@H](O)Cn1c(NCC[NH+](C)C)nc2c1c(=O)[nH]c(=O)n2C ZINC000019833528 558292189 /nfs/dbraw/zinc/29/21/89/558292189.db2.gz WCOKTWDQJJQTMW-CQSZACIVSA-N 1 0 416.482 0.557 50 0 HCAARO Cc1ccccc1OC[C@@H](O)Cn1c(NCC[NH+](C)C)nc2c1c(=O)[nH]c(=O)n2C ZINC000019833530 525310505 /nfs/dbraw/zinc/31/05/05/525310505.db2.gz WCOKTWDQJJQTMW-AWEZNQCLSA-N 1 0 416.482 0.557 50 0 HCAARO COc1cc(C[NH2+]CCN2CCOCC2)cc(Br)c1OCC(N)=O ZINC000019872240 558299696 /nfs/dbraw/zinc/29/96/96/558299696.db2.gz IVUUKSZHCYUJAD-UHFFFAOYSA-N 1 0 402.289 0.744 50 0 HCAARO COc1ccc([C@]2(C)C(=O)N(CN3CCOCC3)C(=O)[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000019907189 558305630 /nfs/dbraw/zinc/30/56/30/558305630.db2.gz NTDFKLQZIURAJL-UGKGYDQZSA-N 1 0 417.506 0.560 50 0 HCAARO COc1ccc([C@@]2(C)C(=O)N(CN3CCOCC3)C(=O)[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000019907191 558305561 /nfs/dbraw/zinc/30/55/61/558305561.db2.gz NTDFKLQZIURAJL-SIKLNZKXSA-N 1 0 417.506 0.560 50 0 HCAARO COc1ccc([C@]2(C)C(=O)N(CN3CCOCC3)C(=O)[C@H]2C[NH+]2CCOCC2)cc1 ZINC000019907193 558305567 /nfs/dbraw/zinc/30/55/67/558305567.db2.gz NTDFKLQZIURAJL-KNQAVFIVSA-N 1 0 417.506 0.560 50 0 HCAARO COc1ccc([C@@]2(C)C(=O)N(CN3CCOCC3)C(=O)[C@H]2C[NH+]2CCOCC2)cc1 ZINC000019907194 558305535 /nfs/dbraw/zinc/30/55/35/558305535.db2.gz NTDFKLQZIURAJL-DENIHFKCSA-N 1 0 417.506 0.560 50 0 HCAARO Cn1c2nc(CN3CC[NH+](C)CC3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000020026466 558322598 /nfs/dbraw/zinc/32/25/98/558322598.db2.gz OQCPDAXZHCQOTR-UHFFFAOYSA-N 1 0 416.913 0.883 50 0 HCAARO C/C=C/Cn1c(=O)c2c(nc3n2cc(C)n3CCC[NH+]2CCOCC2)n(C)c1=O ZINC000020061993 558329531 /nfs/dbraw/zinc/32/95/31/558329531.db2.gz XXMIBTOETMZMMV-SNAWJCMRSA-N 1 0 400.483 0.756 50 0 HCAARO CCCn1c(=O)c2c(nc3n(CCC[NH+]4CCOCC4)c(C)c(C)n32)n(C)c1=O ZINC000020062000 569007956 /nfs/dbraw/zinc/00/79/56/569007956.db2.gz IZARQKDGMLULJC-UHFFFAOYSA-N 1 0 402.499 0.899 50 0 HCAARO O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCCCC[NH+]1CCOCC1 ZINC000020104790 568588218 /nfs/dbraw/zinc/58/82/18/568588218.db2.gz BNVOGVGZRCATLK-UHFFFAOYSA-N 1 0 414.506 0.736 50 0 HCAARO C[NH+]1CCN(CCCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)CC1 ZINC000020130765 568589683 /nfs/dbraw/zinc/58/96/83/568589683.db2.gz YMADYMPOCXTUFR-UHFFFAOYSA-N 1 0 413.522 0.262 50 0 HCAARO O=S(=O)(c1ccccc1)N1C[C@H](O)[C@@H](N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000020204252 558346604 /nfs/dbraw/zinc/34/66/04/558346604.db2.gz DHMAZCBLYSAAEU-PMACEKPBSA-N 1 0 409.552 0.465 50 0 HCAARO Cc1cccn2c(C[NH2+]CCN3CCC[C@@H](O)C3)c(C(=O)N3CCOCC3)nc12 ZINC000020212349 558347678 /nfs/dbraw/zinc/34/76/78/558347678.db2.gz WZJFXWNYJNKPCH-QGZVFWFLSA-N 1 0 401.511 0.661 50 0 HCAARO Cc1cccn2c(C[NH2+]CCN3CCC[C@H](O)C3)c(C(=O)N3CCOCC3)nc12 ZINC000020212354 558347686 /nfs/dbraw/zinc/34/76/86/558347686.db2.gz WZJFXWNYJNKPCH-KRWDZBQOSA-N 1 0 401.511 0.661 50 0 HCAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(C)CC1 ZINC000020287622 568597277 /nfs/dbraw/zinc/59/72/77/568597277.db2.gz ASRPZZKACNGPCE-FUHWJXTLSA-N 1 0 409.600 0.999 50 0 HCAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(C)CC1 ZINC000020287623 568597130 /nfs/dbraw/zinc/59/71/30/568597130.db2.gz ASRPZZKACNGPCE-SJLPKXTDSA-N 1 0 409.600 0.999 50 0 HCAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000020287625 568597196 /nfs/dbraw/zinc/59/71/96/568597196.db2.gz ASRPZZKACNGPCE-WMZOPIPTSA-N 1 0 409.600 0.999 50 0 HCAARO CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000020287628 568597119 /nfs/dbraw/zinc/59/71/19/568597119.db2.gz ASRPZZKACNGPCE-AEFFLSMTSA-N 1 0 409.600 0.999 50 0 HCAARO C[NH+]1CCN(CCNC(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)CC1 ZINC000020355014 568599567 /nfs/dbraw/zinc/59/95/67/568599567.db2.gz KEJBWWMXASZYMD-UHFFFAOYSA-N 1 0 420.517 0.746 50 0 HCAARO CCOC(=O)N1CCN(c2c(=O)c(=O)c2NCCCN2CC[NH+](CC)CC2)CC1 ZINC000020379192 568602336 /nfs/dbraw/zinc/60/23/36/568602336.db2.gz BEERUVZFXVMAGD-UHFFFAOYSA-N 1 0 407.515 0.001 50 0 HCAARO CCc1nn(CC(=O)NCCN2CC[NH+](C)CC2)c(=O)c2cc3sccc3n21 ZINC000020384091 568603017 /nfs/dbraw/zinc/60/30/17/568603017.db2.gz UQVWCZSLNUQKTO-UHFFFAOYSA-N 1 0 402.524 0.637 50 0 HCAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(CCOCCO)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020412620 568605729 /nfs/dbraw/zinc/60/57/29/568605729.db2.gz XVSALQNXXRYARZ-AGZOZPPWSA-N 1 0 422.566 0.898 50 0 biogenic HCAARO CCc1nn([C@@H](C)C(=O)NCCN2CC[NH+](C)CC2)c(=O)c2cc3occc3n21 ZINC000020416759 568606334 /nfs/dbraw/zinc/60/63/34/568606334.db2.gz KYZTUOFIICYQNJ-AWEZNQCLSA-N 1 0 400.483 0.729 50 0 HCAARO CCc1nn([C@H](C)C(=O)NCCN2CC[NH+](C)CC2)c(=O)c2cc3occc3n21 ZINC000020416761 568606350 /nfs/dbraw/zinc/60/63/50/568606350.db2.gz KYZTUOFIICYQNJ-CQSZACIVSA-N 1 0 400.483 0.729 50 0 HCAARO O=C(CCn1nnnc1CN1CCOCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000020449428 558364563 /nfs/dbraw/zinc/36/45/63/558364563.db2.gz UTYKYJXCCAEHEY-LJQANCHMSA-N 1 0 413.526 0.676 50 0 HCAARO O=C(CCn1nnnc1CN1CCOCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000020449432 558364619 /nfs/dbraw/zinc/36/46/19/558364619.db2.gz UTYKYJXCCAEHEY-IBGZPJMESA-N 1 0 413.526 0.676 50 0 HCAARO Cc1cccc(OC[C@H](O)Cn2c(NCC[NH+](C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000020478907 558374727 /nfs/dbraw/zinc/37/47/27/558374727.db2.gz IEMAVUCQEZCWDB-CQSZACIVSA-N 1 0 416.482 0.557 50 0 HCAARO Cc1cccc(OC[C@@H](O)Cn2c(NCC[NH+](C)C)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000020478911 558374680 /nfs/dbraw/zinc/37/46/80/558374680.db2.gz IEMAVUCQEZCWDB-AWEZNQCLSA-N 1 0 416.482 0.557 50 0 HCAARO C[NH+]1CCN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000020489657 558377450 /nfs/dbraw/zinc/37/74/50/558377450.db2.gz IQXHEWFNQPACGG-UHFFFAOYSA-N 1 0 422.595 0.982 50 0 HCAARO Cc1ccc(OC[C@@H](O)Cn2c(NCCC[NH3+])nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000020502634 558381016 /nfs/dbraw/zinc/38/10/16/558381016.db2.gz SWFALGGYWCSJRX-ZDUSSCGKSA-N 1 0 402.455 0.345 50 0 HCAARO Cc1ccc(OC[C@H](O)Cn2c(NCCC[NH3+])nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000020502636 558380911 /nfs/dbraw/zinc/38/09/11/558380911.db2.gz SWFALGGYWCSJRX-CYBMUJFWSA-N 1 0 402.455 0.345 50 0 HCAARO Cc1ccc(OC[C@H](O)Cn2c(NCC[NH+](C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000020503113 558381045 /nfs/dbraw/zinc/38/10/45/558381045.db2.gz VSHQLYWAGIJFHA-CQSZACIVSA-N 1 0 416.482 0.557 50 0 HCAARO Cc1ccc(OC[C@@H](O)Cn2c(NCC[NH+](C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000020503115 558380980 /nfs/dbraw/zinc/38/09/80/558380980.db2.gz VSHQLYWAGIJFHA-AWEZNQCLSA-N 1 0 416.482 0.557 50 0 HCAARO CC1CCN(c2ccc3nnc(CCC(=O)NCCN4CC[NH+](C)CC4)n3n2)CC1 ZINC000020530494 568626909 /nfs/dbraw/zinc/62/69/09/568626909.db2.gz QSWVUJWWQDKZMB-UHFFFAOYSA-N 1 0 414.558 0.657 50 0 HCAARO CC[NH+]1CCN(CCCNC(=O)C2=C(C)C(=O)OC23CCN(C(C)=O)CC3)CC1 ZINC000020531857 568627622 /nfs/dbraw/zinc/62/76/22/568627622.db2.gz PRVJGGWISNMAHU-UHFFFAOYSA-N 1 0 406.527 0.385 50 0 biogenic HCAARO CCC[NH+]1CCN(CCCNC(=O)C2=C(C)C(=O)OC23CCN(C(C)=O)CC3)CC1 ZINC000020531867 568627587 /nfs/dbraw/zinc/62/75/87/568627587.db2.gz KZLGKEHPCVYGAG-UHFFFAOYSA-N 1 0 420.554 0.775 50 0 biogenic HCAARO CCOC(=O)CN(C)Cc1ccc(OC)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000020539698 520746313 /nfs/dbraw/zinc/74/63/13/520746313.db2.gz KPCLHYRULFFBQW-SFHVURJKSA-N 1 0 409.527 0.677 50 0 HCAARO CCOC(=O)CN(C)Cc1ccc(OC)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000020539700 520745399 /nfs/dbraw/zinc/74/53/99/520745399.db2.gz KPCLHYRULFFBQW-GOSISDBHSA-N 1 0 409.527 0.677 50 0 HCAARO O=C(CCn1nnnc1CN1CCOCC1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000020539722 526692432 /nfs/dbraw/zinc/69/24/32/526692432.db2.gz JUJDEQVRDMVTST-UHFFFAOYSA-N 1 0 405.547 0.762 50 0 HCAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2cc(F)ccc2NC1=O ZINC000020548472 520561455 /nfs/dbraw/zinc/56/14/55/520561455.db2.gz MLSCSGIKTCSREV-BCEDRHLLSA-N 1 0 402.426 0.612 50 0 HCAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@]21c2cc(F)ccc2NC1=O ZINC000020548474 520563023 /nfs/dbraw/zinc/56/30/23/520563023.db2.gz MLSCSGIKTCSREV-NCLAMWEWSA-N 1 0 402.426 0.612 50 0 HCAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2cc(C)ccc2NC1=O ZINC000020565825 523292884 /nfs/dbraw/zinc/29/28/84/523292884.db2.gz PMHUHHUBVGXDOS-RACNMONISA-N 1 0 414.462 0.017 50 0 HCAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@]21c2cc(C)ccc2NC1=O ZINC000020565827 523292359 /nfs/dbraw/zinc/29/23/59/523292359.db2.gz PMHUHHUBVGXDOS-YHXHNGJMSA-N 1 0 414.462 0.017 50 0 HCAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2cc(F)ccc2NC1=O ZINC000020566991 518705579 /nfs/dbraw/zinc/70/55/79/518705579.db2.gz DDBVAVQYPXIRPL-ZCQATVAHSA-N 1 0 402.426 0.610 50 0 HCAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@]21c2cc(F)ccc2NC1=O ZINC000020566993 518706266 /nfs/dbraw/zinc/70/62/66/518706266.db2.gz DDBVAVQYPXIRPL-CFEDGUPZSA-N 1 0 402.426 0.610 50 0 HCAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000020567311 523807950 /nfs/dbraw/zinc/80/79/50/523807950.db2.gz UMTAMAKRWCRPMM-GNJXUNODSA-N 1 0 408.252 0.836 50 0 HCAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000020567312 523807339 /nfs/dbraw/zinc/80/73/39/523807339.db2.gz UMTAMAKRWCRPMM-GGKRTUSVSA-N 1 0 408.252 0.836 50 0 HCAARO CCN(CC)C(=O)Cn1cc(C(=O)N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)nn1 ZINC000020598966 520501983 /nfs/dbraw/zinc/50/19/83/520501983.db2.gz SXFXBRFUZNXYHJ-MRXNPFEDSA-N 1 0 406.531 0.719 50 0 HCAARO CCN(CC)C(=O)Cn1cc(C(=O)N2CCC([C@H](C)[NH+]3CCOCC3)CC2)nn1 ZINC000020598967 520501949 /nfs/dbraw/zinc/50/19/49/520501949.db2.gz SXFXBRFUZNXYHJ-INIZCTEOSA-N 1 0 406.531 0.719 50 0 HCAARO O=C(c1nc2ccccn2c1C[NH2+]CCN1CCCC[C@H]1CO)N1CCOCC1 ZINC000020600833 526918009 /nfs/dbraw/zinc/91/80/09/526918009.db2.gz VMICWRCEAUFJIL-KRWDZBQOSA-N 1 0 401.511 0.743 50 0 HCAARO O=C(c1nc2ccccn2c1C[NH2+]CCN1CCCC[C@@H]1CO)N1CCOCC1 ZINC000020600834 526918380 /nfs/dbraw/zinc/91/83/80/526918380.db2.gz VMICWRCEAUFJIL-QGZVFWFLSA-N 1 0 401.511 0.743 50 0 HCAARO Cc1cn2c(nc3c2c(=O)n(CC(C)C)c(=O)n3C)n1CCC[NH+]1CCOCC1 ZINC000020650525 558397840 /nfs/dbraw/zinc/39/78/40/558397840.db2.gz PZPOBONUVWSCGC-UHFFFAOYSA-N 1 0 402.499 0.836 50 0 HCAARO Cn1c2nc(CN3CC[NH+](Cc4ccccc4)CC3)n(CCCO)c2c(=O)[nH]c1=O ZINC000020654293 558397857 /nfs/dbraw/zinc/39/78/57/558397857.db2.gz GITWAQJRWHLWPG-UHFFFAOYSA-N 1 0 412.494 0.124 50 0 HCAARO COCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000020661135 569008113 /nfs/dbraw/zinc/00/81/13/569008113.db2.gz QPPSDBBRNGNJEJ-UHFFFAOYSA-N 1 0 412.494 0.388 50 0 HCAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020675577 558399707 /nfs/dbraw/zinc/39/97/07/558399707.db2.gz MSHOGXIBGLMZDO-UHFFFAOYSA-N 1 0 421.505 0.802 50 0 HCAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCN1CC[NH+](CCC(C)C)CC1 ZINC000020676470 558400093 /nfs/dbraw/zinc/40/00/93/558400093.db2.gz CMMIVPOXRUFKJP-UHFFFAOYSA-N 1 0 401.515 0.648 50 0 HCAARO CC[NH+]1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020676521 558400066 /nfs/dbraw/zinc/40/00/66/558400066.db2.gz MPXOSECEENKAFN-KRWDZBQOSA-N 1 0 421.929 0.633 50 0 HCAARO CC[NH+]1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020676526 558400153 /nfs/dbraw/zinc/40/01/53/558400153.db2.gz MPXOSECEENKAFN-QGZVFWFLSA-N 1 0 421.929 0.633 50 0 HCAARO CC[NH+]1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000020676654 558400038 /nfs/dbraw/zinc/40/00/38/558400038.db2.gz TWFWAYGSSQVYHE-KRWDZBQOSA-N 1 0 405.474 0.119 50 0 HCAARO CC[NH+]1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000020676658 558400078 /nfs/dbraw/zinc/40/00/78/558400078.db2.gz TWFWAYGSSQVYHE-QGZVFWFLSA-N 1 0 405.474 0.119 50 0 HCAARO CCCCn1c(=O)c2c(nc3n2cc(C)n3CCC[NH+]2CCOCC2)n(C)c1=O ZINC000020683376 568639915 /nfs/dbraw/zinc/63/99/15/568639915.db2.gz QOVWZRCNPPQUFQ-UHFFFAOYSA-N 1 0 402.499 0.980 50 0 HCAARO CS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000020687587 568640313 /nfs/dbraw/zinc/64/03/13/568640313.db2.gz LBYGXTSOHBSCPK-HXUWFJFHSA-N 1 0 422.595 0.982 50 0 HCAARO CS(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000020687593 568640324 /nfs/dbraw/zinc/64/03/24/568640324.db2.gz LBYGXTSOHBSCPK-FQEVSTJZSA-N 1 0 422.595 0.982 50 0 HCAARO CCS(=O)(=O)N1CCC(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000020688077 568640358 /nfs/dbraw/zinc/64/03/58/568640358.db2.gz BVWAHIPIONORRE-UHFFFAOYSA-N 1 0 422.595 0.982 50 0 HCAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2)[C@@H]1CCCO1 ZINC000020909575 558421808 /nfs/dbraw/zinc/42/18/08/558421808.db2.gz JKYAQGPEELANDI-KRWDZBQOSA-N 1 0 413.478 0.903 50 0 HCAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2)[C@H]1CCCO1 ZINC000020909580 558421815 /nfs/dbraw/zinc/42/18/15/558421815.db2.gz JKYAQGPEELANDI-QGZVFWFLSA-N 1 0 413.478 0.903 50 0 HCAARO O=C(Cn1ncc(N2CC[NH2+]CC2)cc1=O)N1CCC[C@@H](C(=O)c2ccccc2)C1 ZINC000020910084 558422114 /nfs/dbraw/zinc/42/21/14/558422114.db2.gz UOVKBPKMIBFIEJ-GOSISDBHSA-N 1 0 409.490 0.774 50 0 HCAARO O=C(Cn1ncc(N2CC[NH2+]CC2)cc1=O)N1CCC[C@H](C(=O)c2ccccc2)C1 ZINC000020910088 558422156 /nfs/dbraw/zinc/42/21/56/558422156.db2.gz UOVKBPKMIBFIEJ-SFHVURJKSA-N 1 0 409.490 0.774 50 0 HCAARO C[NH+]1CCN(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)CC1 ZINC000020942582 568652824 /nfs/dbraw/zinc/65/28/24/568652824.db2.gz KITYYDBTEGSZFB-UHFFFAOYSA-N 1 0 403.556 0.909 50 0 HCAARO Cc1noc2ncnc(N3CCC[C@@H](C(=O)NCCCN4CC[NH+](C)CC4)C3)c12 ZINC000020945115 568653176 /nfs/dbraw/zinc/65/31/76/568653176.db2.gz VWWKOULBWJVWBD-MRXNPFEDSA-N 1 0 401.515 0.896 50 0 HCAARO Cc1noc2ncnc(N3CCC[C@H](C(=O)NCCCN4CC[NH+](C)CC4)C3)c12 ZINC000020945119 568653168 /nfs/dbraw/zinc/65/31/68/568653168.db2.gz VWWKOULBWJVWBD-INIZCTEOSA-N 1 0 401.515 0.896 50 0 HCAARO O=C(NCC[NH+]1CCCCCC1)c1cnc2sc(N3CCOCC3)nn2c1=O ZINC000020987382 568655245 /nfs/dbraw/zinc/65/52/45/568655245.db2.gz BRNRBLIDBIIIIE-UHFFFAOYSA-N 1 0 406.512 0.593 50 0 HCAARO CC[NH+]1CCN(CCNC(=O)c2cnc3sc(N4CCCC4)nn3c2=O)CC1 ZINC000020987501 568655393 /nfs/dbraw/zinc/65/53/93/568655393.db2.gz GLFSPSMJPRCNRT-UHFFFAOYSA-N 1 0 405.528 0.119 50 0 HCAARO Cc1nn(CC(=O)NCCCN2CC[NH+](C)CC2)c(=O)c2cc(-c3ccccc3)nn21 ZINC000021017873 568657945 /nfs/dbraw/zinc/65/79/45/568657945.db2.gz OPRGYISEGLNNDB-UHFFFAOYSA-N 1 0 423.521 0.620 50 0 HCAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCC[NH+](C)C ZINC000021022094 568658313 /nfs/dbraw/zinc/65/83/13/568658313.db2.gz PQTUVHAJBZNEBE-SFHVURJKSA-N 1 0 408.524 0.427 50 0 HCAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCC[NH+](C)C ZINC000021022101 568658405 /nfs/dbraw/zinc/65/84/05/568658405.db2.gz PQTUVHAJBZNEBE-GOSISDBHSA-N 1 0 408.524 0.427 50 0 HCAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCC[NH+](C)C ZINC000021022825 568658257 /nfs/dbraw/zinc/65/82/57/568658257.db2.gz RXLHMUIBMMTZMK-IBGZPJMESA-N 1 0 422.551 0.817 50 0 HCAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NCC[NH+](C)C ZINC000021022832 568658423 /nfs/dbraw/zinc/65/84/23/568658423.db2.gz RXLHMUIBMMTZMK-LJQANCHMSA-N 1 0 422.551 0.817 50 0 HCAARO Cn1cccc1[C@H](CNC(=O)C(=O)NCc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000021156727 568462125 /nfs/dbraw/zinc/46/21/25/568462125.db2.gz UWIYYUQZVJLKHU-IBGZPJMESA-N 1 0 401.486 0.885 50 0 HCAARO Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000021156730 568462168 /nfs/dbraw/zinc/46/21/68/568462168.db2.gz UWIYYUQZVJLKHU-LJQANCHMSA-N 1 0 401.486 0.885 50 0 HCAARO Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000021156732 568673806 /nfs/dbraw/zinc/67/38/06/568673806.db2.gz ICQBJFOBSIUKHK-KRWDZBQOSA-N 1 0 413.478 0.797 50 0 HCAARO Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000021156735 568462140 /nfs/dbraw/zinc/46/21/40/568462140.db2.gz ICQBJFOBSIUKHK-QGZVFWFLSA-N 1 0 413.478 0.797 50 0 HCAARO CC1CC[NH+](CCNC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)CC1 ZINC000021161783 568674397 /nfs/dbraw/zinc/67/43/97/568674397.db2.gz CVKVGEAHSJVNQY-UHFFFAOYSA-N 1 0 406.512 0.449 50 0 HCAARO CCCc1cc(=O)n2nc(N(C)CC(=O)NCCCN3CC[NH+](C)CC3)sc2n1 ZINC000021165513 568674609 /nfs/dbraw/zinc/67/46/09/568674609.db2.gz WBDOBEGNLRZUQM-UHFFFAOYSA-N 1 0 421.571 0.293 50 0 HCAARO CCCc1cc(=O)n2nc(N(C)CC(=O)NCCN3CC[NH+](CC)CC3)sc2n1 ZINC000021165546 568674652 /nfs/dbraw/zinc/67/46/52/568674652.db2.gz PQHUHFIHJODHRF-UHFFFAOYSA-N 1 0 421.571 0.293 50 0 HCAARO CC[NH+](CC)CCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCC1)N(C)C2=O ZINC000021530815 568710879 /nfs/dbraw/zinc/71/08/79/568710879.db2.gz SQLMIZYLWFQISO-OAQYLSRUSA-N 1 0 418.542 0.858 50 0 HCAARO CC[NH+](CC)CCNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(C)C2=O ZINC000021530817 568710863 /nfs/dbraw/zinc/71/08/63/568710863.db2.gz SQLMIZYLWFQISO-NRFANRHFSA-N 1 0 418.542 0.858 50 0 HCAARO CCN1C(=O)c2cc(C(=O)NCC[NH+](C)C)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021530988 568710957 /nfs/dbraw/zinc/71/09/57/568710957.db2.gz QQVQMYRHIJHXCG-FQEVSTJZSA-N 1 0 404.515 0.468 50 0 HCAARO CCN1C(=O)c2cc(C(=O)NCC[NH+](C)C)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021530990 568710893 /nfs/dbraw/zinc/71/08/93/568710893.db2.gz QQVQMYRHIJHXCG-HXUWFJFHSA-N 1 0 404.515 0.468 50 0 HCAARO CCOC(=O)c1cnn(-c2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)c1N ZINC000021652049 568729687 /nfs/dbraw/zinc/72/96/87/568729687.db2.gz VFYQLKKSWVCCMP-UHFFFAOYSA-N 1 0 414.510 0.999 50 0 HCAARO CCOC(=O)c1cnn(-c2ccc(C(=O)NCCN3CC[NH+](CC)CC3)cc2)c1N ZINC000021652078 568729830 /nfs/dbraw/zinc/72/98/30/568729830.db2.gz KPHNGYGCUNFWFA-UHFFFAOYSA-N 1 0 414.510 0.999 50 0 HCAARO CCOC(=O)c1cnn(-c2ccc(C(=O)NCCN3CC[NH+](C)CC3)cc2)c1N ZINC000021652119 568730096 /nfs/dbraw/zinc/73/00/96/568730096.db2.gz SSCHNYNNKGZNCV-UHFFFAOYSA-N 1 0 400.483 0.608 50 0 HCAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(-n3ncc(C(=O)OC)c3N)cc2)CC1 ZINC000021652399 568730251 /nfs/dbraw/zinc/73/02/51/568730251.db2.gz OYNUIDYNBWPHMQ-UHFFFAOYSA-N 1 0 414.510 0.999 50 0 HCAARO CC[NH+]1CCN(CCNC(=O)c2ccc(-n3ncc(C(=O)OC)c3N)cc2)CC1 ZINC000021652402 568730391 /nfs/dbraw/zinc/73/03/91/568730391.db2.gz BWSDSAFZIJGXPS-UHFFFAOYSA-N 1 0 400.483 0.608 50 0 HCAARO CN1C(=O)c2cc(C(=O)NCC[NH+](C)C)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021874697 558961625 /nfs/dbraw/zinc/96/16/25/558961625.db2.gz SCYXQKLHWHZVAC-HXUWFJFHSA-N 1 0 404.515 0.468 50 0 HCAARO CN1C(=O)c2cc(C(=O)NCC[NH+](C)C)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021874700 558961562 /nfs/dbraw/zinc/96/15/62/558961562.db2.gz SCYXQKLHWHZVAC-FQEVSTJZSA-N 1 0 404.515 0.468 50 0 HCAARO CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)NCC[NH+]3CCCC3)cc2C(=O)N1C ZINC000021875839 568756737 /nfs/dbraw/zinc/75/67/37/568756737.db2.gz ADNFHGWZRPZNNX-OAQYLSRUSA-N 1 0 418.542 0.715 50 0 HCAARO CC(C)CCNC(=O)[C@]1(C)Cn2nc(C(=O)NCC[NH+]3CCCC3)cc2C(=O)N1C ZINC000021875842 568756703 /nfs/dbraw/zinc/75/67/03/568756703.db2.gz ADNFHGWZRPZNNX-NRFANRHFSA-N 1 0 418.542 0.715 50 0 HCAARO CN1C(=O)c2cc(C(=O)NCC[NH+](C)C)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021876055 568756699 /nfs/dbraw/zinc/75/66/99/568756699.db2.gz MKMBOFBHESXMCQ-OAQYLSRUSA-N 1 0 412.494 0.335 50 0 HCAARO CN1C(=O)c2cc(C(=O)NCC[NH+](C)C)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021876058 568756741 /nfs/dbraw/zinc/75/67/41/568756741.db2.gz MKMBOFBHESXMCQ-NRFANRHFSA-N 1 0 412.494 0.335 50 0 HCAARO CCCN1C(=O)c2cc(C(=O)NCC[NH+](C)C)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877669 568756872 /nfs/dbraw/zinc/75/68/72/568756872.db2.gz ANGXIPYQDQLBGT-NRFANRHFSA-N 1 0 418.542 0.858 50 0 HCAARO CCCN1C(=O)c2cc(C(=O)NCC[NH+](C)C)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877671 568756909 /nfs/dbraw/zinc/75/69/09/568756909.db2.gz ANGXIPYQDQLBGT-OAQYLSRUSA-N 1 0 418.542 0.858 50 0 HCAARO CC[NH+](CC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2 ZINC000021887477 568758599 /nfs/dbraw/zinc/75/85/99/568758599.db2.gz HLZUUHBAUMLMRE-UHFFFAOYSA-N 1 0 401.529 0.502 50 0 biogenic HCAARO CC1=C(C(=O)NCCC[NH+]2CCCCC2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000021887556 568758638 /nfs/dbraw/zinc/75/86/38/568758638.db2.gz KLNMRYWFLOWSMQ-UHFFFAOYSA-N 1 0 413.540 0.646 50 0 biogenic HCAARO CCC[NH+](CCC)CCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2 ZINC000021887561 568758779 /nfs/dbraw/zinc/75/87/79/568758779.db2.gz VGVJFGGMXJUYHI-UHFFFAOYSA-N 1 0 415.556 0.892 50 0 biogenic HCAARO CC1=C(C(=O)NCC[N@H+]2CCCC[C@H]2C)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000021887573 568758803 /nfs/dbraw/zinc/75/88/03/568758803.db2.gz NHRCSJKVUJLZEO-CQSZACIVSA-N 1 0 413.540 0.645 50 0 biogenic HCAARO CC1=C(C(=O)NCC[N@H+]2CCCC[C@@H]2C)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000021887576 568758843 /nfs/dbraw/zinc/75/88/43/568758843.db2.gz NHRCSJKVUJLZEO-AWEZNQCLSA-N 1 0 413.540 0.645 50 0 biogenic HCAARO CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1CCCC1 ZINC000021887773 568758840 /nfs/dbraw/zinc/75/88/40/568758840.db2.gz ZINHUSDYIQYTIB-UHFFFAOYSA-N 1 0 413.540 0.646 50 0 biogenic HCAARO Cn1ncc2c1nc(N1CCN(C(=O)c3ccco3)CC1)nc2N1CC[NH+](C)CC1 ZINC000021929840 568761553 /nfs/dbraw/zinc/76/15/53/568761553.db2.gz AUXTUKOGZNYIQI-UHFFFAOYSA-N 1 0 410.482 0.671 50 0 HCAARO CCC[NH+]1CCN(CCCNC(=O)Cn2c3ccccc3n(CC)c(=O)c2=O)CC1 ZINC000021944069 558979802 /nfs/dbraw/zinc/97/98/02/558979802.db2.gz GYZLZNGITAZCOY-UHFFFAOYSA-N 1 0 415.538 0.717 50 0 HCAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(CCOCCO)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022457317 558995291 /nfs/dbraw/zinc/99/52/91/558995291.db2.gz XVSALQNXXRYARZ-FRTWGHFBSA-N 1 0 422.566 0.898 50 0 biogenic HCAARO COC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000022587451 558500268 /nfs/dbraw/zinc/50/02/68/558500268.db2.gz CQLUCCGBVMEAKJ-SFHVURJKSA-N 1 0 404.467 0.732 50 0 HCAARO COC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000022587455 558500218 /nfs/dbraw/zinc/50/02/18/558500218.db2.gz CQLUCCGBVMEAKJ-GOSISDBHSA-N 1 0 404.467 0.732 50 0 HCAARO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000022693894 558504836 /nfs/dbraw/zinc/50/48/36/558504836.db2.gz PEDHVFGQKRDUQY-KRWDZBQOSA-N 1 0 421.542 0.321 50 0 HCAARO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000022693897 558504867 /nfs/dbraw/zinc/50/48/67/558504867.db2.gz PEDHVFGQKRDUQY-QGZVFWFLSA-N 1 0 421.542 0.321 50 0 HCAARO CC[NH+](CC)CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000022704725 558505873 /nfs/dbraw/zinc/50/58/73/558505873.db2.gz NYBNOUOFWHQQQS-OAHLLOKOSA-N 1 0 417.553 0.224 50 0 HCAARO CC[NH+](CC)CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000022704729 558505959 /nfs/dbraw/zinc/50/59/59/558505959.db2.gz NYBNOUOFWHQQQS-HNNXBMFYSA-N 1 0 417.553 0.224 50 0 HCAARO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(S(N)(=O)=O)cc3)cn2)CC1 ZINC000022758868 568500075 /nfs/dbraw/zinc/50/00/75/568500075.db2.gz PPPCZIVSYNGKHB-UHFFFAOYSA-N 1 0 404.496 0.803 50 0 HCAARO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(Cc3ccc4c(c3)OCO4)CC1)C2=O ZINC000022785987 558510781 /nfs/dbraw/zinc/51/07/81/558510781.db2.gz RDGKJJAIPWVLBA-UHFFFAOYSA-N 1 0 415.494 0.507 50 0 HCAARO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(CCOc3ccccc3)CC1)C2=O ZINC000022787278 558511310 /nfs/dbraw/zinc/51/13/10/558511310.db2.gz CLONICZPTDBQLI-UHFFFAOYSA-N 1 0 401.511 0.657 50 0 HCAARO CCN1CCC[C@@H]1C[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022788373 557824279 /nfs/dbraw/zinc/82/42/79/557824279.db2.gz GTOUAZCRSWFGMC-QGZVFWFLSA-N 1 0 410.540 0.720 50 0 HCAARO CCN1CCC[C@H]1C[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000022788380 557824246 /nfs/dbraw/zinc/82/42/46/557824246.db2.gz GTOUAZCRSWFGMC-KRWDZBQOSA-N 1 0 410.540 0.720 50 0 HCAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NC2CCCC2)c2ccc3c(c2)OCO3)CC1 ZINC000022797156 557823314 /nfs/dbraw/zinc/82/33/14/557823314.db2.gz LMLUGVQKTXAVNM-KRWDZBQOSA-N 1 0 402.495 0.879 50 0 HCAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NC2CCCC2)c2ccc3c(c2)OCO3)CC1 ZINC000022797163 557823236 /nfs/dbraw/zinc/82/32/36/557823236.db2.gz LMLUGVQKTXAVNM-QGZVFWFLSA-N 1 0 402.495 0.879 50 0 HCAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccco2)c2ccc3c(c2)OCO3)CC1 ZINC000022797250 557824973 /nfs/dbraw/zinc/82/49/73/557824973.db2.gz DAMBJCGXPJLKAL-QGZVFWFLSA-N 1 0 414.462 0.729 50 0 HCAARO O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000022834587 558515815 /nfs/dbraw/zinc/51/58/15/558515815.db2.gz PLUBETMSHJUYCH-UHFFFAOYSA-N 1 0 418.494 0.263 50 0 HCAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccco2)c2ccc3c(c2)OCO3)CC1 ZINC000022851271 557839214 /nfs/dbraw/zinc/83/92/14/557839214.db2.gz DAMBJCGXPJLKAL-KRWDZBQOSA-N 1 0 414.462 0.729 50 0 HCAARO CC[NH+]1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)CC1 ZINC000022910097 558519485 /nfs/dbraw/zinc/51/94/85/558519485.db2.gz SQWYQYZISIFVEJ-UHFFFAOYSA-N 1 0 410.522 0.814 50 0 HCAARO CC[NH+]1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)CC1 ZINC000022923807 558522876 /nfs/dbraw/zinc/52/28/76/558522876.db2.gz WQCRKKZCMIEBJE-UHFFFAOYSA-N 1 0 414.485 0.759 50 0 HCAARO Cn1c2nc(CN3CC[NH+](C)CC3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000022923817 558522865 /nfs/dbraw/zinc/52/28/65/558522865.db2.gz QTASLUUEMKTKSO-UHFFFAOYSA-N 1 0 400.458 0.369 50 0 HCAARO CC[NH+]1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)CC1 ZINC000022923842 558522745 /nfs/dbraw/zinc/52/27/45/558522745.db2.gz JIGUJNONBJHTSN-UHFFFAOYSA-N 1 0 410.522 0.928 50 0 HCAARO Cn1c2nc(CN3CC[NH+](C)CC3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O ZINC000022923884 558522750 /nfs/dbraw/zinc/52/27/50/558522750.db2.gz OFSBEVRYFRDLOV-UHFFFAOYSA-N 1 0 400.458 0.369 50 0 HCAARO CC[NH+]1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)CC1 ZINC000022923897 558522739 /nfs/dbraw/zinc/52/27/39/558522739.db2.gz PNGRGBKJKSGWQK-UHFFFAOYSA-N 1 0 414.485 0.759 50 0 HCAARO Cn1c2nc(CN3CC[NH+](C)CC3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000022924074 558522896 /nfs/dbraw/zinc/52/28/96/558522896.db2.gz GDDFJWICBOXKPY-UHFFFAOYSA-N 1 0 416.913 0.883 50 0 HCAARO C[NH+]1CCN(CCCNC(=O)c2nnc(CS(=O)(=O)c3ccccc3)o2)CC1 ZINC000022936374 558674318 /nfs/dbraw/zinc/67/43/18/558674318.db2.gz ZPQWYNINQBFFJX-UHFFFAOYSA-N 1 0 407.496 0.411 50 0 HCAARO C[NH+]1CCN(CCNC(=O)CCc2nnc3ccc(N4CCCCC4)nn32)CC1 ZINC000022936481 558672733 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WILPEZIREXPNSV-UHFFFAOYSA-N 1 0 412.556 0.727 50 0 HCAARO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCCN3S(C)(=O)=O)cn2)CC1 ZINC000048302346 568437662 /nfs/dbraw/zinc/43/76/62/568437662.db2.gz QWQOFZFNQUNTBI-KRWDZBQOSA-N 1 0 409.556 0.654 50 0 HCAARO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCCN3S(C)(=O)=O)cn2)CC1 ZINC000048302347 568437650 /nfs/dbraw/zinc/43/76/50/568437650.db2.gz QWQOFZFNQUNTBI-QGZVFWFLSA-N 1 0 409.556 0.654 50 0 HCAARO CC[NH+](CC)CC1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000049075881 568446840 /nfs/dbraw/zinc/44/68/40/568446840.db2.gz QXINICMLBFEECW-MRXNPFEDSA-N 1 0 412.556 0.732 50 0 HCAARO CC[NH+](CC)CC1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000049075883 568446846 /nfs/dbraw/zinc/44/68/46/568446846.db2.gz QXINICMLBFEECW-INIZCTEOSA-N 1 0 412.556 0.732 50 0 HCAARO Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000049548650 568451697 /nfs/dbraw/zinc/45/16/97/568451697.db2.gz KWQTVPIRICEXBG-UHFFFAOYSA-N 1 0 412.494 0.343 50 0 HCAARO CC(C)C[NH+]1CCN(C(=O)Cn2c(=O)nc3n2C(=O)N(c2ccc(F)cc2)C3)CC1 ZINC000049549667 568451856 /nfs/dbraw/zinc/45/18/56/568451856.db2.gz FEYPFZWACJTIKM-UHFFFAOYSA-N 1 0 416.457 0.972 50 0 HCAARO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@@H]1c1ccc(O)c(OCC)c1 ZINC000049757605 558850864 /nfs/dbraw/zinc/85/08/64/558850864.db2.gz DFVGYXQETXLYKT-DLBZAZTESA-N 1 0 404.467 0.745 50 0 HCAARO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@H]1c1ccc(O)c(OCC)c1 ZINC000049757606 558850918 /nfs/dbraw/zinc/85/09/18/558850918.db2.gz DFVGYXQETXLYKT-IRXDYDNUSA-N 1 0 404.467 0.745 50 0 HCAARO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@@H]1c1ccc(O)c(OCC)c1 ZINC000049757607 558850935 /nfs/dbraw/zinc/85/09/35/558850935.db2.gz DFVGYXQETXLYKT-IAGOWNOFSA-N 1 0 404.467 0.745 50 0 HCAARO CCOC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@H]1c1ccc(O)c(OCC)c1 ZINC000049757608 558850816 /nfs/dbraw/zinc/85/08/16/558850816.db2.gz DFVGYXQETXLYKT-SJORKVTESA-N 1 0 404.467 0.745 50 0 HCAARO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000049765309 558850983 /nfs/dbraw/zinc/85/09/83/558850983.db2.gz ROUGKDKHVNHLHT-SJORKVTESA-N 1 0 404.467 0.657 50 0 HCAARO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000049765310 558850958 /nfs/dbraw/zinc/85/09/58/558850958.db2.gz ROUGKDKHVNHLHT-IRXDYDNUSA-N 1 0 404.467 0.657 50 0 HCAARO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000049765311 558850981 /nfs/dbraw/zinc/85/09/81/558850981.db2.gz ROUGKDKHVNHLHT-IAGOWNOFSA-N 1 0 404.467 0.657 50 0 HCAARO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](C)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000049765312 558850804 /nfs/dbraw/zinc/85/08/04/558850804.db2.gz ROUGKDKHVNHLHT-DLBZAZTESA-N 1 0 404.467 0.657 50 0 HCAARO COc1cc(C(=O)N2CCN(CCC(N)=O)CC2)ccc1OC1CC[NH+](C)CC1 ZINC000055099078 558872028 /nfs/dbraw/zinc/87/20/28/558872028.db2.gz INKJEGFNLCZBTN-UHFFFAOYSA-N 1 0 404.511 0.801 50 0 HCAARO CCOCCn1c(N2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000055560061 558882477 /nfs/dbraw/zinc/88/24/77/558882477.db2.gz WCZYXCQFZKBHPJ-UHFFFAOYSA-N 1 0 412.494 0.782 50 0 HCAARO COCCn1c(N2CC[NH+](Cc3ccccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000055562727 558882656 /nfs/dbraw/zinc/88/26/56/558882656.db2.gz JBBXVDXEZMWWPC-UHFFFAOYSA-N 1 0 412.494 0.700 50 0 HCAARO COCCNC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1 ZINC000056896046 568820842 /nfs/dbraw/zinc/82/08/42/568820842.db2.gz DNZNADGMJRBVHM-FQEVSTJZSA-N 1 0 411.506 0.824 50 0 HCAARO COCCNC(=O)C(=O)NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1 ZINC000056896051 568820905 /nfs/dbraw/zinc/82/09/05/568820905.db2.gz DNZNADGMJRBVHM-HXUWFJFHSA-N 1 0 411.506 0.824 50 0 HCAARO CC[N@@H+]1CCN2c3ccc(NC(C)=O)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 ZINC000057111338 568824104 /nfs/dbraw/zinc/82/41/04/568824104.db2.gz GNAMYXBMMCDOOM-KRWDZBQOSA-N 1 0 413.478 0.748 50 0 HCAARO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000058045008 568880251 /nfs/dbraw/zinc/88/02/51/568880251.db2.gz YFYJRXSRIRZWHT-INIZCTEOSA-N 1 0 414.572 0.971 50 0 HCAARO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000058045015 568880273 /nfs/dbraw/zinc/88/02/73/568880273.db2.gz YFYJRXSRIRZWHT-MRXNPFEDSA-N 1 0 414.572 0.971 50 0 HCAARO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000058160859 568894336 /nfs/dbraw/zinc/89/43/36/568894336.db2.gz SIAKKZIRIUJQEM-NSHDSACASA-N 1 0 412.493 0.098 50 0 HCAARO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000058160860 568894456 /nfs/dbraw/zinc/89/44/56/568894456.db2.gz SIAKKZIRIUJQEM-LLVKDONJSA-N 1 0 412.493 0.098 50 0 HCAARO CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(C(=O)Nc3cnn(CC)c3)CC2)CC1 ZINC000058166879 558907095 /nfs/dbraw/zinc/90/70/95/558907095.db2.gz FLLBPHVDEOQRRM-UHFFFAOYSA-N 1 0 420.514 0.854 50 0 HCAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000058169249 558907726 /nfs/dbraw/zinc/90/77/26/558907726.db2.gz OIRJYVFFRJFAKB-IAGOWNOFSA-N 1 0 423.535 0.609 50 0 HCAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000058169250 558907744 /nfs/dbraw/zinc/90/77/44/558907744.db2.gz OIRJYVFFRJFAKB-SJORKVTESA-N 1 0 423.535 0.609 50 0 HCAARO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000058245545 558914484 /nfs/dbraw/zinc/91/44/84/558914484.db2.gz VIUZTLSZZFBXDR-ZDUSSCGKSA-N 1 0 417.915 0.992 50 0 HCAARO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000058245546 558914521 /nfs/dbraw/zinc/91/45/21/558914521.db2.gz VIUZTLSZZFBXDR-CYBMUJFWSA-N 1 0 417.915 0.992 50 0 HCAARO COc1cc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)ccc1OCC(N)=O ZINC000058406153 558924553 /nfs/dbraw/zinc/92/45/53/558924553.db2.gz VHLNTPIGANZMAT-UHFFFAOYSA-N 1 0 409.483 0.905 50 0 HCAARO NC(=O)c1ccc(-c2nnn(C[C@@H](O)C[NH+]3CCN(c4ccccc4)CC3)n2)cc1 ZINC000058434868 558926907 /nfs/dbraw/zinc/92/69/07/558926907.db2.gz QDIUJHGVEGPIDW-IBGZPJMESA-N 1 0 407.478 0.622 50 0 HCAARO NC(=O)c1ccc(-c2nnn(C[C@H](O)C[NH+]3CCN(c4ccccc4)CC3)n2)cc1 ZINC000058434871 558926903 /nfs/dbraw/zinc/92/69/03/558926903.db2.gz QDIUJHGVEGPIDW-LJQANCHMSA-N 1 0 407.478 0.622 50 0 HCAARO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000058897683 558930739 /nfs/dbraw/zinc/93/07/39/558930739.db2.gz XAMCZJWQOWBISJ-UHFFFAOYSA-N 1 0 424.523 0.283 50 0 HCAARO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000058931793 558930889 /nfs/dbraw/zinc/93/08/89/558930889.db2.gz UMKZOLMQSAPMTL-UHFFFAOYSA-N 1 0 424.523 0.283 50 0 HCAARO O=C(Cn1nc(N2CCOCC2)ccc1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000061719914 560536334 /nfs/dbraw/zinc/53/63/34/560536334.db2.gz SXVKGLGVTCFPAG-UHFFFAOYSA-N 1 0 411.506 0.861 50 0 HCAARO O=C(C[N@H+]1CCC[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000062580949 560631632 /nfs/dbraw/zinc/63/16/32/560631632.db2.gz NCTBSHPQANUAJM-OAHLLOKOSA-N 1 0 401.916 0.630 50 0 HCAARO CCC[NH+]1CCN(C(=O)C2=C(C)C(=O)OC23CCN(S(=O)(=O)CC)CC3)CC1 ZINC000064557414 569066782 /nfs/dbraw/zinc/06/67/82/569066782.db2.gz JURWFDRDWZOFBW-UHFFFAOYSA-N 1 0 413.540 0.598 50 0 biogenic HCAARO C[NH+]1CCN(CCCNC(=O)c2nc(-c3ccc(N4CCOCC4)cc3)no2)CC1 ZINC000064746494 569088461 /nfs/dbraw/zinc/08/84/61/569088461.db2.gz XFOXVDPZYDJZQR-UHFFFAOYSA-N 1 0 414.510 0.941 50 0 HCAARO COC(=O)Cn1c2ccc(S(=O)(=O)NCC[NH+]3CCC(C)CC3)cc2oc1=O ZINC000064818795 569101554 /nfs/dbraw/zinc/10/15/54/569101554.db2.gz DHNGSCGDBKYMIT-UHFFFAOYSA-N 1 0 411.480 0.778 50 0 HCAARO CN1CCN(C(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000064836025 569104529 /nfs/dbraw/zinc/10/45/29/569104529.db2.gz FKLKLQRVENHTEM-UHFFFAOYSA-N 1 0 420.517 0.979 50 0 HCAARO C[NH+]1CCN(CCNC(=O)c2cc(=O)nc3sc(N4CCCCC4)nn32)CC1 ZINC000064836280 569104716 /nfs/dbraw/zinc/10/47/16/569104716.db2.gz GBZVVBBABJXFDN-UHFFFAOYSA-N 1 0 405.528 0.119 50 0 HCAARO CC1CCN(c2nn3c(nc(=O)cc3C(=O)NCCN3CC[NH+](C)CC3)s2)CC1 ZINC000064836401 569104664 /nfs/dbraw/zinc/10/46/64/569104664.db2.gz CBPMJQLXQVKUIA-UHFFFAOYSA-N 1 0 419.555 0.365 50 0 HCAARO O=C(NCCC[NH+]1CCCCCC1)c1cc(=O)nc2sc(N3CCOCC3)nn21 ZINC000064836514 569104864 /nfs/dbraw/zinc/10/48/64/569104864.db2.gz LPSOQIYKNCUTRD-UHFFFAOYSA-N 1 0 420.539 0.984 50 0 HCAARO O=C(NCC[NH+]1CCCCCC1)c1cc(=O)nc2sc(N3CCOCC3)nn21 ZINC000064836517 569104829 /nfs/dbraw/zinc/10/48/29/569104829.db2.gz HWJIPCAERQTTNU-UHFFFAOYSA-N 1 0 406.512 0.593 50 0 HCAARO C[N@H+](CCNC(=O)c1cc(=O)nc2sc(N3CCOCC3)nn21)C1CCCCC1 ZINC000064836529 569104776 /nfs/dbraw/zinc/10/47/76/569104776.db2.gz VXWKTYAXXFCVEI-UHFFFAOYSA-N 1 0 420.539 0.982 50 0 HCAARO C[NH+]1CCN(CCNC(=O)c2cc(=O)nc3sc(N4CCCCCC4)nn32)CC1 ZINC000064836644 569104885 /nfs/dbraw/zinc/10/48/85/569104885.db2.gz UQDJELNESXXUJA-UHFFFAOYSA-N 1 0 419.555 0.509 50 0 HCAARO C[C@@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCCN3CC[NH+](C)CC3)s2)C1 ZINC000064836880 569104875 /nfs/dbraw/zinc/10/48/75/569104875.db2.gz ZWQVWXWEJWYEFG-CQSZACIVSA-N 1 0 419.555 0.365 50 0 HCAARO C[C@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCCN3CC[NH+](C)CC3)s2)C1 ZINC000064836882 569104938 /nfs/dbraw/zinc/10/49/38/569104938.db2.gz ZWQVWXWEJWYEFG-AWEZNQCLSA-N 1 0 419.555 0.365 50 0 HCAARO Cc1onc2c1c(C)nn(CC(=O)NCCN1CC[NH+](Cc3ccccc3)CC1)c2=O ZINC000064842302 569106945 /nfs/dbraw/zinc/10/69/45/569106945.db2.gz ZHABPQWBZDREHM-UHFFFAOYSA-N 1 0 424.505 0.935 50 0 HCAARO O=C(CN1CCN(Cc2ccc(F)cc2)C(=O)C1=O)NCCC[NH+]1CCCCC1 ZINC000064888579 569115655 /nfs/dbraw/zinc/11/56/55/569115655.db2.gz XXQIOMBDXGEWQB-UHFFFAOYSA-N 1 0 404.486 0.989 50 0 HCAARO C[NH+](C)CCNC(=O)CCn1nnc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000064889243 569115662 /nfs/dbraw/zinc/11/56/62/569115662.db2.gz OBRZKXSBTHATPA-UHFFFAOYSA-N 1 0 408.528 0.674 50 0 HCAARO Cn1c2c(C(=O)N3CCN(c4ccccc4F)CC3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966146 569137408 /nfs/dbraw/zinc/13/74/08/569137408.db2.gz KVOCVEMMKDLNLK-UHFFFAOYSA-N 1 0 410.453 0.780 50 0 HCAARO Cn1c2c(C(=O)N3CCN(c4ccc(F)cc4)CC3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966163 569137415 /nfs/dbraw/zinc/13/74/15/569137415.db2.gz BEGGFRWUXSETFN-UHFFFAOYSA-N 1 0 410.453 0.780 50 0 HCAARO Cn1c(=O)c(C(=O)NCC[N@H+](C)Cc2ccccc2)nn(-c2ccc(F)cc2)c1=O ZINC000064966995 569137588 /nfs/dbraw/zinc/13/75/88/569137588.db2.gz YJTDQQIESBXNFX-UHFFFAOYSA-N 1 0 411.437 0.932 50 0 HCAARO Cn1cnc2c(C(=O)NCCCN3CC[NH+](C)CC3)nn(-c3ccccc3)c2c1=O ZINC000064998200 569149842 /nfs/dbraw/zinc/14/98/42/569149842.db2.gz CQWRAAPRCVWFRC-UHFFFAOYSA-N 1 0 409.494 0.487 50 0 HCAARO Cc1ccc(-n2nc(C(=O)NCCCN3CC[NH+](C)CC3)c3ncn(C)c(=O)c32)cc1 ZINC000064998331 569149912 /nfs/dbraw/zinc/14/99/12/569149912.db2.gz JOVPBZXNOMDHPY-UHFFFAOYSA-N 1 0 423.521 0.795 50 0 HCAARO Cc1ccc(-n2nc(C(=O)NCCN3CC[NH+](C)CC3)c3ncn(C)c(=O)c32)cc1 ZINC000064998383 569149855 /nfs/dbraw/zinc/14/98/55/569149855.db2.gz GQIXLANORIABBK-UHFFFAOYSA-N 1 0 409.494 0.405 50 0 HCAARO Cn1cnc2c(C(=O)NCCN3CC[NH+](C)CC3)nn(-c3ccc(F)cc3)c2c1=O ZINC000064998405 569149892 /nfs/dbraw/zinc/14/98/92/569149892.db2.gz SFPRZODBQIANLS-UHFFFAOYSA-N 1 0 413.457 0.236 50 0 HCAARO COCCNC1=[NH+]CCNC12CCN(S(=O)(=O)c1ccc(NC(C)=O)cc1)CC2 ZINC000065074699 569168999 /nfs/dbraw/zinc/16/89/99/569168999.db2.gz VOMAQMJGTQWBKR-UHFFFAOYSA-N 1 0 423.539 0.406 50 0 biogenic HCAARO Cn1c2ccc(S(=O)(=O)N3CCC(CC(=O)NCC[NH+](C)C)CC3)cc2oc1=O ZINC000065085749 569174428 /nfs/dbraw/zinc/17/44/28/569174428.db2.gz DPFYRGIKUIAPSR-UHFFFAOYSA-N 1 0 424.523 0.600 50 0 HCAARO COc1ccc(S(=O)(=O)CCc2noc(C(=O)NCC[NH+]3CCCC3)n2)cc1 ZINC000065117666 569180719 /nfs/dbraw/zinc/18/07/19/569180719.db2.gz GBUHDSVAUSIQJL-UHFFFAOYSA-N 1 0 408.480 0.920 50 0 HCAARO Cc1nnc2c(=O)n(CC(=O)NCC[N@@H+]3CCc4ccccc4C3)c3cccnc3n12 ZINC000065173033 569190087 /nfs/dbraw/zinc/19/00/87/569190087.db2.gz RCVYRSZIQNFPRL-UHFFFAOYSA-N 1 0 417.473 0.922 50 0 HCAARO CC[NH+]1CCN(CCNC(=O)Cn2c3cccnc3n(-c3ccccc3)c2=O)CC1 ZINC000065202558 569195263 /nfs/dbraw/zinc/19/52/63/569195263.db2.gz VVORFJSZQZPDHI-UHFFFAOYSA-N 1 0 408.506 0.941 50 0 HCAARO CCC[NH+]1CCN(C(=O)C2CCN(c3cncnc3N3CCN(C)CC3)CC2)CC1 ZINC000065226899 569200117 /nfs/dbraw/zinc/20/01/17/569200117.db2.gz QPZDOKLCHWRTBZ-UHFFFAOYSA-N 1 0 415.586 0.999 50 0 HCAARO C[NH+](C)CCNC(=O)Cn1ncc2c1ncnc2N1CCN(c2ccccc2)CC1 ZINC000065295365 569218688 /nfs/dbraw/zinc/21/86/88/569218688.db2.gz DTOLTIYNRNQTMP-UHFFFAOYSA-N 1 0 408.510 0.831 50 0 HCAARO Cc1cc(N2CC[NH+](C)CC2)n2nc(CN3CCN(c4ccccn4)CC3)nc2n1 ZINC000065311621 569220964 /nfs/dbraw/zinc/22/09/64/569220964.db2.gz SHXLKIQRVODPKJ-UHFFFAOYSA-N 1 0 407.526 0.902 50 0 HCAARO CCOC(=O)C1CCN(Cc2nc3nc(C)cc(N4CC[NH+](C)CC4)n3n2)CC1 ZINC000065311623 569220874 /nfs/dbraw/zinc/22/08/74/569220874.db2.gz LAPJHGTVBVGAJI-UHFFFAOYSA-N 1 0 401.515 0.960 50 0 HCAARO CC[NH+]1CCN(c2cc(C)nc3nc(CN4CCC5(CC4)OCCO5)nn32)CC1 ZINC000065311646 569220856 /nfs/dbraw/zinc/22/08/56/569220856.db2.gz KZKHCXWDSBTQQR-UHFFFAOYSA-N 1 0 401.515 0.914 50 0 biogenic HCAARO O=C(CCN(CCCN1CCOCC1)C(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000065314949 558970894 /nfs/dbraw/zinc/97/08/94/558970894.db2.gz QPVWQJHHMYDROK-UHFFFAOYSA-N 1 0 406.502 0.812 50 0 HCAARO Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)[nH+]1 ZINC000065362808 558973650 /nfs/dbraw/zinc/97/36/50/558973650.db2.gz BXUXMWFJLGHLDY-UHFFFAOYSA-N 1 0 404.496 0.528 50 0 HCAARO Cc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000065363282 558974390 /nfs/dbraw/zinc/97/43/90/558974390.db2.gz FGBJKHAADLHWQQ-UHFFFAOYSA-N 1 0 404.496 0.528 50 0 HCAARO CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)CC1 ZINC000065365212 558976119 /nfs/dbraw/zinc/97/61/19/558976119.db2.gz ACIQNCPELPGUKA-UHFFFAOYSA-N 1 0 408.568 0.980 50 0 HCAARO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000065549924 569234886 /nfs/dbraw/zinc/23/48/86/569234886.db2.gz UKNZTVFHJIINNB-GOSISDBHSA-N 1 0 422.551 0.928 50 0 HCAARO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000065549928 569234821 /nfs/dbraw/zinc/23/48/21/569234821.db2.gz UKNZTVFHJIINNB-SFHVURJKSA-N 1 0 422.551 0.928 50 0 HCAARO CCOc1cc([C@H]2NC(=O)NC(CN3CC[NH+](C)CC3)=C2C(=O)OC)ccc1O ZINC000067285674 571064010 /nfs/dbraw/zinc/06/40/10/571064010.db2.gz PHMMZDQHTDHNHB-GOSISDBHSA-N 1 0 404.467 0.819 50 0 HCAARO CCOc1cc([C@@H]2NC(=O)NC(CN3CC[NH+](C)CC3)=C2C(=O)OC)ccc1O ZINC000067285675 571064060 /nfs/dbraw/zinc/06/40/60/571064060.db2.gz PHMMZDQHTDHNHB-SFHVURJKSA-N 1 0 404.467 0.819 50 0 HCAARO O=c1cc(N2CC[NH+](C[C@]3(O)CCCN(CC4CCCCC4)C3=O)CC2)cn[nH]1 ZINC000067514995 558987186 /nfs/dbraw/zinc/98/71/86/558987186.db2.gz MMAAFQURPINZKK-OAQYLSRUSA-N 1 0 403.527 0.826 50 0 HCAARO O=c1cc(N2CC[NH+](C[C@@]3(O)CCCN(CC4CCCCC4)C3=O)CC2)cn[nH]1 ZINC000067514997 558987168 /nfs/dbraw/zinc/98/71/68/558987168.db2.gz MMAAFQURPINZKK-NRFANRHFSA-N 1 0 403.527 0.826 50 0 HCAARO CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000067613231 558989071 /nfs/dbraw/zinc/98/90/71/558989071.db2.gz ZKFDPSZGEBCEDI-UHFFFAOYSA-N 1 0 409.556 0.895 50 0 HCAARO CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000067621710 558989713 /nfs/dbraw/zinc/98/97/13/558989713.db2.gz RHBJPXPOZMDNEF-MRXNPFEDSA-N 1 0 409.556 0.895 50 0 HCAARO CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000067621714 558989707 /nfs/dbraw/zinc/98/97/07/558989707.db2.gz RHBJPXPOZMDNEF-INIZCTEOSA-N 1 0 409.556 0.895 50 0 HCAARO COCCN1CCC[C@](O)(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O ZINC000067679030 558991349 /nfs/dbraw/zinc/99/13/49/558991349.db2.gz PCTHRQBRKUDJHS-NRFANRHFSA-N 1 0 402.495 0.966 50 0 HCAARO COCCN1CCC[C@@](O)(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O ZINC000067679033 558991424 /nfs/dbraw/zinc/99/14/24/558991424.db2.gz PCTHRQBRKUDJHS-OAQYLSRUSA-N 1 0 402.495 0.966 50 0 HCAARO COCCN1CCC[C@](O)(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)C1=O ZINC000067712986 558991750 /nfs/dbraw/zinc/99/17/50/558991750.db2.gz BLJKGDZUFAHKRJ-NRFANRHFSA-N 1 0 402.495 0.885 50 0 HCAARO COCCN1CCC[C@@](O)(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)C1=O ZINC000067712987 558991756 /nfs/dbraw/zinc/99/17/56/558991756.db2.gz BLJKGDZUFAHKRJ-OAQYLSRUSA-N 1 0 402.495 0.885 50 0 HCAARO CS(=O)(=O)NC1CC[NH+](C[C@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000067755427 558992345 /nfs/dbraw/zinc/99/23/45/558992345.db2.gz RAWBYSMXXBIQIY-HXUWFJFHSA-N 1 0 409.552 0.596 50 0 HCAARO CS(=O)(=O)NC1CC[NH+](C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000067755429 558992297 /nfs/dbraw/zinc/99/22/97/558992297.db2.gz RAWBYSMXXBIQIY-FQEVSTJZSA-N 1 0 409.552 0.596 50 0 HCAARO CCc1c[nH]nc1C1CCN(C(=O)[C@H]2[C@@H]3CC[C@@]4(CN(CC[NH3+])C(=O)[C@@H]24)O3)CC1 ZINC000067773875 558992685 /nfs/dbraw/zinc/99/26/85/558992685.db2.gz LNQXTHOHVTYNJT-OPOADAIRSA-N 1 0 401.511 0.643 50 0 HCAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCN(C)CC4)C3)CC2)[nH]n1 ZINC000067805135 558993118 /nfs/dbraw/zinc/99/31/18/558993118.db2.gz HFKFVYRZGRYSHV-KRWDZBQOSA-N 1 0 402.543 0.809 50 0 HCAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCN(C)CC4)C3)CC2)[nH]n1 ZINC000067805136 558993090 /nfs/dbraw/zinc/99/30/90/558993090.db2.gz HFKFVYRZGRYSHV-QGZVFWFLSA-N 1 0 402.543 0.809 50 0 HCAARO COc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000067819167 558993300 /nfs/dbraw/zinc/99/33/00/558993300.db2.gz PTSHZMKOIXMDDY-MSOLQXFVSA-N 1 0 411.506 0.756 50 0 HCAARO Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1C ZINC000069951025 571251138 /nfs/dbraw/zinc/25/11/38/571251138.db2.gz INXHXLUHXADLOI-QGZVFWFLSA-N 1 0 405.524 0.788 50 0 HCAARO Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1C ZINC000069951026 571251084 /nfs/dbraw/zinc/25/10/84/571251084.db2.gz INXHXLUHXADLOI-KRWDZBQOSA-N 1 0 405.524 0.788 50 0 HCAARO Cc1nc(S(=O)(=O)NCC(=O)NCc2ccccc2C[NH+]2CCCC2)cn1C ZINC000070012943 571254343 /nfs/dbraw/zinc/25/43/43/571254343.db2.gz RUCAFSOEBDPUHP-UHFFFAOYSA-N 1 0 405.524 0.919 50 0 HCAARO CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCC[NH3+] ZINC000071257137 558896243 /nfs/dbraw/zinc/89/62/43/558896243.db2.gz QGSFECNPSLZGGT-UHFFFAOYSA-N 1 0 409.520 0.777 50 0 in-vitro HCAARO Cn1cncc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071405555 558897324 /nfs/dbraw/zinc/89/73/24/558897324.db2.gz FUFOYTHSLMUUQM-KRWDZBQOSA-N 1 0 402.543 0.511 50 0 HCAARO Cn1cncc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071405556 558897409 /nfs/dbraw/zinc/89/74/09/558897409.db2.gz FUFOYTHSLMUUQM-QGZVFWFLSA-N 1 0 402.543 0.511 50 0 HCAARO Cn1nc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)ccc1=O ZINC000071499037 558903369 /nfs/dbraw/zinc/90/33/69/558903369.db2.gz UMLBHWRQKWJYMB-INIZCTEOSA-N 1 0 401.511 0.719 50 0 HCAARO Cn1nc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)ccc1=O ZINC000071499044 558903488 /nfs/dbraw/zinc/90/34/88/558903488.db2.gz UMLBHWRQKWJYMB-MRXNPFEDSA-N 1 0 401.511 0.719 50 0 HCAARO Cc1cnc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)cn1 ZINC000071499209 558903452 /nfs/dbraw/zinc/90/34/52/558903452.db2.gz MTVHUQBZFAARKT-KRWDZBQOSA-N 1 0 401.511 0.960 50 0 HCAARO Cc1cnc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)cn1 ZINC000071499213 558903480 /nfs/dbraw/zinc/90/34/80/558903480.db2.gz MTVHUQBZFAARKT-QGZVFWFLSA-N 1 0 401.511 0.960 50 0 HCAARO NC(=O)c1cccnc1N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071575268 558905170 /nfs/dbraw/zinc/90/51/70/558905170.db2.gz ZPJNOMPCBXSSLV-INIZCTEOSA-N 1 0 401.511 0.720 50 0 HCAARO NC(=O)c1cccnc1N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071575270 558905529 /nfs/dbraw/zinc/90/55/29/558905529.db2.gz ZPJNOMPCBXSSLV-MRXNPFEDSA-N 1 0 401.511 0.720 50 0 HCAARO Cc1nc[nH]c1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071576226 558905544 /nfs/dbraw/zinc/90/55/44/558905544.db2.gz LCJMRIQHFGVZEP-KRWDZBQOSA-N 1 0 402.543 0.809 50 0 HCAARO Cc1nc[nH]c1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071576229 558905574 /nfs/dbraw/zinc/90/55/74/558905574.db2.gz LCJMRIQHFGVZEP-QGZVFWFLSA-N 1 0 402.543 0.809 50 0 HCAARO CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)Cn4cccn4)CC3)C2)CC1 ZINC000071615243 558905938 /nfs/dbraw/zinc/90/59/38/558905938.db2.gz ATXMLJDUUHSPJI-GOSISDBHSA-N 1 0 402.543 0.360 50 0 HCAARO CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)Cn4cccn4)CC3)C2)CC1 ZINC000071615247 558906185 /nfs/dbraw/zinc/90/61/85/558906185.db2.gz ATXMLJDUUHSPJI-SFHVURJKSA-N 1 0 402.543 0.360 50 0 HCAARO NC(=O)c1ccnc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)c1 ZINC000071707790 558907255 /nfs/dbraw/zinc/90/72/55/558907255.db2.gz VGUWFTCVHVEDMY-KRWDZBQOSA-N 1 0 401.511 0.720 50 0 HCAARO NC(=O)c1ccnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)c1 ZINC000071707791 558907240 /nfs/dbraw/zinc/90/72/40/558907240.db2.gz VGUWFTCVHVEDMY-QGZVFWFLSA-N 1 0 401.511 0.720 50 0 HCAARO O=C(c1ccc(=O)[nH]c1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071707940 558907207 /nfs/dbraw/zinc/90/72/07/558907207.db2.gz YUMYHFJRTJIMTR-KRWDZBQOSA-N 1 0 402.495 0.550 50 0 HCAARO O=C(c1ccc(=O)[nH]c1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071707941 558907187 /nfs/dbraw/zinc/90/71/87/558907187.db2.gz YUMYHFJRTJIMTR-QGZVFWFLSA-N 1 0 402.495 0.550 50 0 HCAARO O=C(Cc1ncccn1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071721544 558908138 /nfs/dbraw/zinc/90/81/38/558908138.db2.gz AGIDIXQZYZWRIT-KRWDZBQOSA-N 1 0 401.511 0.581 50 0 HCAARO O=C(Cc1ncccn1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071721545 558908012 /nfs/dbraw/zinc/90/80/12/558908012.db2.gz AGIDIXQZYZWRIT-QGZVFWFLSA-N 1 0 401.511 0.581 50 0 HCAARO Cn1cnc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071745469 558908337 /nfs/dbraw/zinc/90/83/37/558908337.db2.gz IASMGTZBOPYKAR-INIZCTEOSA-N 1 0 409.556 0.908 50 0 HCAARO Cn1cnc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071745470 558908295 /nfs/dbraw/zinc/90/82/95/558908295.db2.gz IASMGTZBOPYKAR-MRXNPFEDSA-N 1 0 409.556 0.908 50 0 HCAARO Cc1ncc(CC(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c(=O)[nH]1 ZINC000071747371 558908614 /nfs/dbraw/zinc/90/86/14/558908614.db2.gz HNMCHOFZNUKTNE-HNNXBMFYSA-N 1 0 401.511 0.602 50 0 HCAARO Cc1ncc(CC(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c(=O)[nH]1 ZINC000071747372 558908675 /nfs/dbraw/zinc/90/86/75/558908675.db2.gz HNMCHOFZNUKTNE-OAHLLOKOSA-N 1 0 401.511 0.602 50 0 HCAARO CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)c4cnccn4)CC3)C2)CC1 ZINC000071749159 558908638 /nfs/dbraw/zinc/90/86/38/558908638.db2.gz YQFGGLLTWXQFAZ-QGZVFWFLSA-N 1 0 400.527 0.567 50 0 HCAARO CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)c4cnccn4)CC3)C2)CC1 ZINC000071749160 558908627 /nfs/dbraw/zinc/90/86/27/558908627.db2.gz YQFGGLLTWXQFAZ-KRWDZBQOSA-N 1 0 400.527 0.567 50 0 HCAARO CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)CCCC(N)=O)CC3)C2)CC1 ZINC000071750094 558908945 /nfs/dbraw/zinc/90/89/45/558908945.db2.gz QFOUKGMXJYXDTF-QGZVFWFLSA-N 1 0 407.559 0.119 50 0 HCAARO CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)CCCC(N)=O)CC3)C2)CC1 ZINC000071750095 558908910 /nfs/dbraw/zinc/90/89/10/558908910.db2.gz QFOUKGMXJYXDTF-KRWDZBQOSA-N 1 0 407.559 0.119 50 0 HCAARO Cn1nccc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071750984 558909061 /nfs/dbraw/zinc/90/90/61/558909061.db2.gz QPTIEHAJNRAGHG-KRWDZBQOSA-N 1 0 402.543 0.511 50 0 HCAARO Cn1nccc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)CC1 ZINC000071750985 558908993 /nfs/dbraw/zinc/90/89/93/558908993.db2.gz QPTIEHAJNRAGHG-QGZVFWFLSA-N 1 0 402.543 0.511 50 0 HCAARO O=C(c1ccc(O)cn1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071753509 558909358 /nfs/dbraw/zinc/90/93/58/558909358.db2.gz GNMFXRQCEOOANI-INIZCTEOSA-N 1 0 402.495 0.963 50 0 HCAARO O=C(c1ccc(O)cn1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071753510 558909367 /nfs/dbraw/zinc/90/93/67/558909367.db2.gz GNMFXRQCEOOANI-MRXNPFEDSA-N 1 0 402.495 0.963 50 0 HCAARO O=C(NC(CO)CO)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071754310 558909410 /nfs/dbraw/zinc/90/94/10/558909410.db2.gz JFSKQDKXFVQMQC-HNNXBMFYSA-N 1 0 402.495 0.978 50 0 HCAARO O=C(NC(CO)CO)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071754311 558909375 /nfs/dbraw/zinc/90/93/75/558909375.db2.gz JFSKQDKXFVQMQC-OAHLLOKOSA-N 1 0 402.495 0.978 50 0 HCAARO 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Cn1cc(C(=O)N2CCC3(CN(CCCN4CC[C@@H]([NH+](C)C)C4)C(=O)O3)CC2)cn1 ZINC000077321391 559001332 /nfs/dbraw/zinc/00/13/32/559001332.db2.gz DHYUVJJUIDVWRS-GOSISDBHSA-N 1 0 418.542 0.873 50 0 HCAARO CC[NH+]1CCN(CCN2CC3(CCN(C(=O)c4ccn(C)n4)CC3)OC2=O)CC1 ZINC000077321624 559001303 /nfs/dbraw/zinc/00/13/03/559001303.db2.gz YVZAFHJKOYXRFB-UHFFFAOYSA-N 1 0 404.515 0.485 50 0 HCAARO Cn1cc(C(=O)N2CCC3(CN(CCN4CC[C@H]([NH+](C)C)C4)C(=O)O3)CC2)cn1 ZINC000077341387 559001724 /nfs/dbraw/zinc/00/17/24/559001724.db2.gz VUTHHDBJTMNNOB-KRWDZBQOSA-N 1 0 404.515 0.483 50 0 HCAARO Cn1cc(C(=O)N2CCC3(CN(CCN4CC[C@@H]([NH+](C)C)C4)C(=O)O3)CC2)cn1 ZINC000077341389 559001778 /nfs/dbraw/zinc/00/17/78/559001778.db2.gz VUTHHDBJTMNNOB-QGZVFWFLSA-N 1 0 404.515 0.483 50 0 HCAARO C[NH+](C)[C@@H]1CCN(CCCN2CC3(CCN(c4ccnc(N)n4)CC3)OC2=O)C1 ZINC000077357878 559002417 /nfs/dbraw/zinc/00/24/17/559002417.db2.gz ZIPCCNPWFUHYBX-MRXNPFEDSA-N 1 0 403.531 0.876 50 0 HCAARO C[NH+](C)[C@H]1CCN(CCCN2CC3(CCN(c4ccnc(N)n4)CC3)OC2=O)C1 ZINC000077357882 559002493 /nfs/dbraw/zinc/00/24/93/559002493.db2.gz ZIPCCNPWFUHYBX-INIZCTEOSA-N 1 0 403.531 0.876 50 0 HCAARO CC[NH+]1CCN(CCN2CC3(CCN(C(=O)C4CCOCC4)CC3)OC2=O)CC1 ZINC000077376678 559002692 /nfs/dbraw/zinc/00/26/92/559002692.db2.gz WTLJNCIAHWTPOG-UHFFFAOYSA-N 1 0 408.543 0.864 50 0 HCAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)c3cccn(C)c3=O)CC2)OC1=O ZINC000077376690 559002732 /nfs/dbraw/zinc/00/27/32/559002732.db2.gz BSRJOGJCRUCPHS-UHFFFAOYSA-N 1 0 406.483 0.391 50 0 HCAARO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)CCC(N)=O)CC3)C1 ZINC000077376879 559002706 /nfs/dbraw/zinc/00/27/06/559002706.db2.gz JIDQDYJLDBOYJG-MRXNPFEDSA-N 1 0 408.524 0.161 50 0 HCAARO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)CCC(N)=O)CC3)C1 ZINC000077376881 559002680 /nfs/dbraw/zinc/00/26/80/559002680.db2.gz JIDQDYJLDBOYJG-INIZCTEOSA-N 1 0 408.524 0.161 50 0 HCAARO NS(=O)(=O)c1ccc(CNC(=O)c2ccc(C[N@@H+]3CCCOCC3)[nH]c2=O)cc1 ZINC000077377050 559002685 /nfs/dbraw/zinc/00/26/85/559002685.db2.gz ISGMDCHGULELGV-UHFFFAOYSA-N 1 0 420.491 0.175 50 0 HCAARO C[NH+](C)[C@@H]1CCN(CCN2CC3(CCN(C(=O)C4CCOCC4)CC3)OC2=O)C1 ZINC000077379171 559003019 /nfs/dbraw/zinc/00/30/19/559003019.db2.gz LQQMRHDXIDUHMP-GOSISDBHSA-N 1 0 408.543 0.862 50 0 HCAARO C[NH+](C)[C@H]1CCN(CCN2CC3(CCN(C(=O)C4CCOCC4)CC3)OC2=O)C1 ZINC000077379175 559003040 /nfs/dbraw/zinc/00/30/40/559003040.db2.gz LQQMRHDXIDUHMP-SFHVURJKSA-N 1 0 408.543 0.862 50 0 HCAARO CC[NH+]1CCN(CCN2CC3(CCN(C(=O)c4[nH]cnc4C)CC3)OC2=O)CC1 ZINC000077391653 559003514 /nfs/dbraw/zinc/00/35/14/559003514.db2.gz JNEKOUGPQHYGHU-UHFFFAOYSA-N 1 0 404.515 0.783 50 0 HCAARO CC[NH+]1CCN(CCCN2CC3(CCN(C(=O)[C@@H]4CCOC4)CC3)OC2=O)CC1 ZINC000077407840 559004342 /nfs/dbraw/zinc/00/43/42/559004342.db2.gz YCOWDORIDGMIFQ-GOSISDBHSA-N 1 0 408.543 0.864 50 0 HCAARO CC[NH+]1CCN(CCCN2CC3(CCN(C(=O)[C@H]4CCOC4)CC3)OC2=O)CC1 ZINC000077407841 559004295 /nfs/dbraw/zinc/00/42/95/559004295.db2.gz YCOWDORIDGMIFQ-SFHVURJKSA-N 1 0 408.543 0.864 50 0 HCAARO CN(Cc1nccs1)S(=O)(=O)c1ccc2c(c1)CN(C(=O)[C@@H]([NH3+])CO)CC2 ZINC000077408002 559004347 /nfs/dbraw/zinc/00/43/47/559004347.db2.gz IKXWYCCBVOIOAN-HNNXBMFYSA-N 1 0 410.521 0.168 50 0 HCAARO Cc1noc(CN(C)C(=O)[C@H]2[C@H]3C(=O)N(CC[NH+]4CCCCC4)C[C@@]34C=C[C@@H]2O4)n1 ZINC000077408039 559004284 /nfs/dbraw/zinc/00/42/84/559004284.db2.gz SLJHXAJWCVPYGJ-DKXUYOFUSA-N 1 0 415.494 0.604 50 0 HCAARO Cc1noc(CN(C)C(=O)[C@@H]2[C@H]3C(=O)N(CC[NH+]4CCCCC4)C[C@@]34C=C[C@@H]2O4)n1 ZINC000077408040 559004333 /nfs/dbraw/zinc/00/43/33/559004333.db2.gz SLJHXAJWCVPYGJ-DBSRCYSRSA-N 1 0 415.494 0.604 50 0 HCAARO Cc1noc(CN(C)C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CC[NH+]5CCCCC5)C(=O)[C@@H]24)O3)n1 ZINC000077408041 559004292 /nfs/dbraw/zinc/00/42/92/559004292.db2.gz SLJHXAJWCVPYGJ-VZRKHXGSSA-N 1 0 415.494 0.604 50 0 HCAARO Cc1noc(CN(C)C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CC[NH+]5CCCCC5)C(=O)[C@@H]24)O3)n1 ZINC000077408042 559004320 /nfs/dbraw/zinc/00/43/20/559004320.db2.gz SLJHXAJWCVPYGJ-JWVYWZTKSA-N 1 0 415.494 0.604 50 0 HCAARO CC[N@H+](Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1)[C@H]1COC[C@@H]1O ZINC000077426372 559004872 /nfs/dbraw/zinc/00/48/72/559004872.db2.gz YTPDLHLESKGXMQ-IRXDYDNUSA-N 1 0 415.446 0.615 50 0 HCAARO C[C@@H]1CNC(=O)CC[N@@H+]1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000077438353 559005255 /nfs/dbraw/zinc/00/52/55/559005255.db2.gz IJZPUOACPBRNCB-CYBMUJFWSA-N 1 0 412.446 0.744 50 0 HCAARO C[C@H]1CNC(=O)CC[N@@H+]1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000077438355 559005265 /nfs/dbraw/zinc/00/52/65/559005265.db2.gz IJZPUOACPBRNCB-ZDUSSCGKSA-N 1 0 412.446 0.744 50 0 HCAARO CN(CCn1cccn1)C(=O)[C@H]1[C@H]2C(=O)N(CC[NH+]3CCCCC3)C[C@@]23C=C[C@@H]1O3 ZINC000077456254 559005817 /nfs/dbraw/zinc/00/58/17/559005817.db2.gz VLPNJDIQNSSWQE-WEMPKCCASA-N 1 0 413.522 0.609 50 0 HCAARO CN(CCn1cccn1)C(=O)[C@@H]1[C@H]2C(=O)N(CC[NH+]3CCCCC3)C[C@@]23C=C[C@@H]1O3 ZINC000077456256 559005827 /nfs/dbraw/zinc/00/58/27/559005827.db2.gz VLPNJDIQNSSWQE-OZIGNCPNSA-N 1 0 413.522 0.609 50 0 HCAARO CN(CCn1cccn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC[NH+]4CCCCC4)C(=O)[C@@H]13)O2 ZINC000077456259 559005844 /nfs/dbraw/zinc/00/58/44/559005844.db2.gz VLPNJDIQNSSWQE-JYLXEMOASA-N 1 0 413.522 0.609 50 0 HCAARO CN(CCn1cccn1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC[NH+]4CCCCC4)C(=O)[C@@H]13)O2 ZINC000077456262 559005793 /nfs/dbraw/zinc/00/57/93/559005793.db2.gz VLPNJDIQNSSWQE-VWNVYAMZSA-N 1 0 413.522 0.609 50 0 HCAARO CC(C)[NH+]1CCN(C(=O)[C@H]2[C@H]3C(=O)N(CCc4ccncc4)C[C@@]34C=C[C@@H]2O4)CC1 ZINC000077456583 559005773 /nfs/dbraw/zinc/00/57/73/559005773.db2.gz KYPRVRVBUCGXSM-SRYPRDQNSA-N 1 0 410.518 0.959 50 0 HCAARO CC(C)[NH+]1CCN(C(=O)[C@@H]2[C@H]3C(=O)N(CCc4ccncc4)C[C@@]34C=C[C@@H]2O4)CC1 ZINC000077456585 559005813 /nfs/dbraw/zinc/00/58/13/559005813.db2.gz KYPRVRVBUCGXSM-MXBUBSDBSA-N 1 0 410.518 0.959 50 0 HCAARO CC(C)[NH+]1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CCc5ccncc5)C(=O)[C@@H]24)O3)CC1 ZINC000077456588 559005823 /nfs/dbraw/zinc/00/58/23/559005823.db2.gz KYPRVRVBUCGXSM-VAWZGJIGSA-N 1 0 410.518 0.959 50 0 HCAARO CC(C)[NH+]1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCc5ccncc5)C(=O)[C@@H]24)O3)CC1 ZINC000077456591 559005809 /nfs/dbraw/zinc/00/58/09/559005809.db2.gz KYPRVRVBUCGXSM-GJPOJAMWSA-N 1 0 410.518 0.959 50 0 HCAARO Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCNC(=O)C[NH+](C)C ZINC000077459385 559006009 /nfs/dbraw/zinc/00/60/09/559006009.db2.gz XOPGWPJPMMGXFH-UHFFFAOYSA-N 1 0 409.512 0.043 50 0 HCAARO CC[NH+]1CCN(CCCN2CC3(CCN(C(=O)c4cc[nH]n4)CC3)OC2=O)CC1 ZINC000077459743 559006139 /nfs/dbraw/zinc/00/61/39/559006139.db2.gz GPQGVCMVTXEVQW-UHFFFAOYSA-N 1 0 404.515 0.864 50 0 HCAARO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cnccn2)CC3)C1 ZINC000077469861 559006162 /nfs/dbraw/zinc/00/61/62/559006162.db2.gz RZOQDNUAEUQSLP-QGZVFWFLSA-N 1 0 415.519 1.000 50 0 HCAARO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cnccn2)CC3)C1 ZINC000077469862 559006203 /nfs/dbraw/zinc/00/62/03/559006203.db2.gz RZOQDNUAEUQSLP-KRWDZBQOSA-N 1 0 415.519 1.000 50 0 HCAARO O=C(NC[C@@H]1COCCO1)c1ccc(CN2CCC([NH+]3CCCC3)CC2)[nH]c1=O ZINC000077487637 559007140 /nfs/dbraw/zinc/00/71/40/559007140.db2.gz LEIBVINQJHCNPC-GOSISDBHSA-N 1 0 404.511 0.580 50 0 HCAARO O=C(NC[C@H]1COCCO1)c1ccc(CN2CCC([NH+]3CCCC3)CC2)[nH]c1=O ZINC000077487640 559007137 /nfs/dbraw/zinc/00/71/37/559007137.db2.gz LEIBVINQJHCNPC-SFHVURJKSA-N 1 0 404.511 0.580 50 0 HCAARO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)C1 ZINC000077488767 559007230 /nfs/dbraw/zinc/00/72/30/559007230.db2.gz IKUPIPRHVIWNPC-CQSZACIVSA-N 1 0 412.446 0.602 50 0 HCAARO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)C1 ZINC000077488769 559007209 /nfs/dbraw/zinc/00/72/09/559007209.db2.gz IKUPIPRHVIWNPC-AWEZNQCLSA-N 1 0 412.446 0.602 50 0 HCAARO COc1cc(N2CCC3(CN(CCN4CC[C@@H]([NH+](C)C)C4)C(=O)O3)CC2)ncn1 ZINC000077504430 559007517 /nfs/dbraw/zinc/00/75/17/559007517.db2.gz WGCOJCFSBKDSAO-MRXNPFEDSA-N 1 0 404.515 0.912 50 0 HCAARO COc1cc(N2CCC3(CN(CCN4CC[C@H]([NH+](C)C)C4)C(=O)O3)CC2)ncn1 ZINC000077504432 559007519 /nfs/dbraw/zinc/00/75/19/559007519.db2.gz WGCOJCFSBKDSAO-INIZCTEOSA-N 1 0 404.515 0.912 50 0 HCAARO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cc[nH]n2)CC3)C1 ZINC000077504889 559007567 /nfs/dbraw/zinc/00/75/67/559007567.db2.gz FSDUDDLJKHHFNM-MRXNPFEDSA-N 1 0 403.508 0.933 50 0 HCAARO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cc[nH]n2)CC3)C1 ZINC000077504890 559007613 /nfs/dbraw/zinc/00/76/13/559007613.db2.gz FSDUDDLJKHHFNM-INIZCTEOSA-N 1 0 403.508 0.933 50 0 HCAARO C[NH+](C)[C@@H]1CCN(CCN2CC3(CCN(c4ncnc5nc[nH]c54)CC3)OC2=O)C1 ZINC000077504940 559007584 /nfs/dbraw/zinc/00/75/84/559007584.db2.gz LAGPMOQTXJOWGU-OAHLLOKOSA-N 1 0 414.514 0.780 50 0 HCAARO C[NH+](C)[C@H]1CCN(CCN2CC3(CCN(c4ncnc5nc[nH]c54)CC3)OC2=O)C1 ZINC000077504941 559007573 /nfs/dbraw/zinc/00/75/73/559007573.db2.gz LAGPMOQTXJOWGU-HNNXBMFYSA-N 1 0 414.514 0.780 50 0 HCAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)c3cnn4cccnc34)CC2)OC1=O ZINC000077518654 559007970 /nfs/dbraw/zinc/00/79/70/559007970.db2.gz QCQZRQGYHRGMBJ-UHFFFAOYSA-N 1 0 416.482 0.735 50 0 HCAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)C1 ZINC000077518698 559008059 /nfs/dbraw/zinc/00/80/59/559008059.db2.gz LEXAVLCXIXJSID-AWEZNQCLSA-N 1 0 412.446 0.731 50 0 HCAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]2)C1 ZINC000077518703 559008045 /nfs/dbraw/zinc/00/80/45/559008045.db2.gz LEXAVLCXIXJSID-CQSZACIVSA-N 1 0 412.446 0.731 50 0 HCAARO Cc1nc[nH]c1C(=O)N1CCC2(CN(CCN3CC[C@H]([NH+](C)C)C3)C(=O)O2)CC1 ZINC000077521259 559008204 /nfs/dbraw/zinc/00/82/04/559008204.db2.gz XOTDSITWMIEJBP-INIZCTEOSA-N 1 0 404.515 0.781 50 0 HCAARO Cc1nc[nH]c1C(=O)N1CCC2(CN(CCN3CC[C@@H]([NH+](C)C)C3)C(=O)O2)CC1 ZINC000077521263 559008230 /nfs/dbraw/zinc/00/82/30/559008230.db2.gz XOTDSITWMIEJBP-MRXNPFEDSA-N 1 0 404.515 0.781 50 0 HCAARO Cc1cc(CNS(=O)(=O)c2ccc3c(c2)CCN(C(=O)[C@@H]([NH3+])[C@@H](C)O)C3)no1 ZINC000077521771 559008297 /nfs/dbraw/zinc/00/82/97/559008297.db2.gz NCYVGCCDQDGCPC-PXAZEXFGSA-N 1 0 408.480 0.054 50 0 HCAARO CC[NH+]1CCN(CCCN2CC3(CCN(c4nccc(N)n4)CC3)OC2=O)CC1 ZINC000077523433 559008289 /nfs/dbraw/zinc/00/82/89/559008289.db2.gz SLRHDUCFXPRPKI-UHFFFAOYSA-N 1 0 403.531 0.878 50 0 HCAARO CN(Cc1ccncn1)C(=O)[C@H]1[C@H]2C(=O)N(CC[NH+]3CCCCC3)C[C@@]23C=C[C@@H]1O3 ZINC000077538419 559008690 /nfs/dbraw/zinc/00/86/90/559008690.db2.gz YVEAUIOWHSOBAJ-WEMPKCCASA-N 1 0 411.506 0.703 50 0 HCAARO CN(Cc1ccncn1)C(=O)[C@@H]1[C@H]2C(=O)N(CC[NH+]3CCCCC3)C[C@@]23C=C[C@@H]1O3 ZINC000077538420 559008656 /nfs/dbraw/zinc/00/86/56/559008656.db2.gz YVEAUIOWHSOBAJ-OZIGNCPNSA-N 1 0 411.506 0.703 50 0 HCAARO CN(Cc1ccncn1)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(CC[NH+]4CCCCC4)C(=O)[C@@H]13)O2 ZINC000077538424 559008693 /nfs/dbraw/zinc/00/86/93/559008693.db2.gz YVEAUIOWHSOBAJ-JYLXEMOASA-N 1 0 411.506 0.703 50 0 HCAARO 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CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000223219178 1079787413 /nfs/dbraw/zinc/78/74/13/1079787413.db2.gz SQXSFDGUUQKPDC-LSDHHAIUSA-N 1 0 402.451 0.826 50 0 HCAARO C[NH+]1CCN([C@@H]2CCCCN(S(=O)(=O)c3ccc(S(C)(=O)=O)nc3)C2)CC1 ZINC000225458977 568639912 /nfs/dbraw/zinc/63/99/12/568639912.db2.gz RPHYLXRRRSLNSN-OAHLLOKOSA-N 1 0 416.569 0.276 50 0 HCAARO C[NH+]1CCN([C@H]2CCCCN(S(=O)(=O)c3ccc(S(C)(=O)=O)nc3)C2)CC1 ZINC000225459012 568639877 /nfs/dbraw/zinc/63/98/77/568639877.db2.gz RPHYLXRRRSLNSN-HNNXBMFYSA-N 1 0 416.569 0.276 50 0 HCAARO Cn1c2ncn(CC[N@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)c2c(=O)n(C)c1=O ZINC000225472076 568641182 /nfs/dbraw/zinc/64/11/82/568641182.db2.gz YYSYHNJBBDZQKQ-OKILXGFUSA-N 1 0 418.498 0.232 50 0 HCAARO COc1ncnc(N(C)C)c1NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000225686783 568664367 /nfs/dbraw/zinc/66/43/67/568664367.db2.gz PERDDFWQKYCPJS-UHFFFAOYSA-N 1 0 414.470 0.275 50 0 HCAARO Cn1nc2c(cc1=O)C[C@H](C(=O)N1CCC(C(N)=O)([NH+]3CCCCC3)CC1)CC2 ZINC000225740903 568780593 /nfs/dbraw/zinc/78/05/93/568780593.db2.gz ALSXIYFOGOTTBM-OAHLLOKOSA-N 1 0 401.511 0.218 50 0 HCAARO Cn1nc2c(cc1=O)C[C@@H](C(=O)N1CCC(C(N)=O)([NH+]3CCCCC3)CC1)CC2 ZINC000225740925 568780614 /nfs/dbraw/zinc/78/06/14/568780614.db2.gz ALSXIYFOGOTTBM-HNNXBMFYSA-N 1 0 401.511 0.218 50 0 HCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)C1 ZINC000229865543 569040802 /nfs/dbraw/zinc/04/08/02/569040802.db2.gz BVEYMXKDAYEWLG-FGTMMUONSA-N 1 0 401.573 0.501 50 0 HCAARO COCCN1C(=O)NC(=O)[C@@]2(Cc3c(Cl)cccc3N3CC[N@H+](C)C[C@H]32)C1=O ZINC000229894944 568715672 /nfs/dbraw/zinc/71/56/72/568715672.db2.gz BIXOVXYSMVYVII-KXBFYZLASA-N 1 0 406.870 0.728 50 0 HCAARO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000229986454 568716431 /nfs/dbraw/zinc/71/64/31/568716431.db2.gz ZGYDRLXXCYXCSS-IRXDYDNUSA-N 1 0 423.583 0.620 50 0 HCAARO 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CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2C[C@@H]([NH+]3CCCC3)[C@@H](O)C2)cc1 ZINC000241965732 569054966 /nfs/dbraw/zinc/05/49/66/569054966.db2.gz UVEKHAGIVCPODT-IPELMVKDSA-N 1 0 424.567 0.841 50 0 HCAARO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000241965733 569054915 /nfs/dbraw/zinc/05/49/15/569054915.db2.gz UVEKHAGIVCPODT-SNRMKQJTSA-N 1 0 424.567 0.841 50 0 HCAARO COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1NC[C@H]1CCCO1 ZINC000245391852 558784803 /nfs/dbraw/zinc/78/48/03/558784803.db2.gz DQXMUFIOXDYABP-CKEIUWERSA-N 1 0 403.522 0.712 50 0 HCAARO COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1NC[C@H]1CCCO1 ZINC000245391854 558784765 /nfs/dbraw/zinc/78/47/65/558784765.db2.gz DQXMUFIOXDYABP-JKIFEVAISA-N 1 0 403.522 0.712 50 0 HCAARO CCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@@]3(c4cc(F)ccc4NC3=O)[C@H]2C1=O ZINC000248235637 559269174 /nfs/dbraw/zinc/26/91/74/559269174.db2.gz MLSCSGIKTCSREV-MNFOOTCESA-N 1 0 402.426 0.612 50 0 HCAARO CCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@]3(c4cc(F)ccc4NC3=O)[C@H]2C1=O ZINC000248235639 559269132 /nfs/dbraw/zinc/26/91/32/559269132.db2.gz MLSCSGIKTCSREV-NOUYOMCBSA-N 1 0 402.426 0.612 50 0 HCAARO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000252476814 559277286 /nfs/dbraw/zinc/27/72/86/559277286.db2.gz CBPHWPRKFQLNHX-SFHVURJKSA-N 1 0 424.542 0.829 50 0 HCAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000252488830 569289437 /nfs/dbraw/zinc/28/94/37/569289437.db2.gz IZXUEYKYXCHDBK-IBGZPJMESA-N 1 0 413.584 0.900 50 0 HCAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000252488831 569289420 /nfs/dbraw/zinc/28/94/20/569289420.db2.gz IZXUEYKYXCHDBK-LJQANCHMSA-N 1 0 413.584 0.900 50 0 HCAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNC(=O)Cn2cnc3ccccc32)CC1 ZINC000252497795 569290996 /nfs/dbraw/zinc/29/09/96/569290996.db2.gz QQCWVKPNHFYOJR-GOSISDBHSA-N 1 0 417.554 0.946 50 0 HCAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNC(=O)Cn2cnc3ccccc32)CC1 ZINC000252497796 569290948 /nfs/dbraw/zinc/29/09/48/569290948.db2.gz QQCWVKPNHFYOJR-SFHVURJKSA-N 1 0 417.554 0.946 50 0 HCAARO CC[N@H+](C)[C@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C1 ZINC000252516589 569292136 /nfs/dbraw/zinc/29/21/36/569292136.db2.gz USRCMXCVNRKBHJ-SGTLLEGYSA-N 1 0 410.496 0.465 50 0 HCAARO CC[N@H+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C1 ZINC000252516590 569292147 /nfs/dbraw/zinc/29/21/47/569292147.db2.gz USRCMXCVNRKBHJ-XIKOKIGWSA-N 1 0 410.496 0.465 50 0 HCAARO CCc1cc(N2CCN(Cc3nnc([C@H]4C[C@@H]([NH3+])C4)n3CCOC)CC2)ncn1 ZINC000252550855 568752305 /nfs/dbraw/zinc/75/23/05/568752305.db2.gz SYWMXOFFSPKAID-IYBDPMFKSA-N 1 0 400.531 0.804 50 0 HCAARO COC(=O)c1cn(-c2ccc(N3CC[NH+](C)CC3)c(C(N)=O)c2)cc2c(=O)[nH]nc1-2 ZINC000253395448 569388787 /nfs/dbraw/zinc/38/87/87/569388787.db2.gz AKXWKQNZJCWGDJ-UHFFFAOYSA-N 1 0 410.434 0.303 50 0 HCAARO COC(=O)c1cn(-c2ccc([C@H](O)C[NH+]3CCN(C)CC3)cc2)cc2c(=O)[nH]nc1-2 ZINC000253403466 569051384 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/nfs/dbraw/zinc/36/79/61/569367961.db2.gz LGBOKVPVCPKOTP-FUHWJXTLSA-N 1 0 413.540 0.189 50 0 HCAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CCO)NS(=O)(=O)c2ccccc2)C1 ZINC000253422946 569367918 /nfs/dbraw/zinc/36/79/18/569367918.db2.gz LGBOKVPVCPKOTP-SJLPKXTDSA-N 1 0 413.540 0.189 50 0 HCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](CCO)NS(=O)(=O)c2ccccc2)C1 ZINC000253422947 569367969 /nfs/dbraw/zinc/36/79/69/569367969.db2.gz LGBOKVPVCPKOTP-WMZOPIPTSA-N 1 0 413.540 0.189 50 0 HCAARO CN1CC[N@H+](CCCNC(=O)C(F)(F)C(=O)N2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000253426905 569368278 /nfs/dbraw/zinc/36/82/78/569368278.db2.gz BWLRLYAGBFDPSR-GOSISDBHSA-N 1 0 424.492 0.976 50 0 HCAARO CN1CC[N@H+](CCCNC(=O)C(F)(F)C(=O)N2CCOCC2)[C@H](c2ccccc2)C1 ZINC000253426908 569368301 /nfs/dbraw/zinc/36/83/01/569368301.db2.gz BWLRLYAGBFDPSR-SFHVURJKSA-N 1 0 424.492 0.976 50 0 HCAARO C[N@H+](CCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)C1CC1 ZINC000253428032 569368479 /nfs/dbraw/zinc/36/84/79/569368479.db2.gz 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NC(=O)c1cncc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299775168 568874585 /nfs/dbraw/zinc/87/45/85/568874585.db2.gz AJXQKTXBQGHVPH-INIZCTEOSA-N 1 0 402.499 0.337 50 0 HCAARO NC(=O)c1cncc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299775170 568874475 /nfs/dbraw/zinc/87/44/75/568874475.db2.gz AJXQKTXBQGHVPH-MRXNPFEDSA-N 1 0 402.499 0.337 50 0 HCAARO Cc1ccccc1[C@@]1(CC(=O)N2CCC[C@H](O)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299775310 568874535 /nfs/dbraw/zinc/87/45/35/568874535.db2.gz IBOSYBQBURHXNH-HTAPYJJXSA-N 1 0 401.507 0.927 50 0 HCAARO Cc1ccccc1[C@]1(CC(=O)N2CCC[C@H](O)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299775313 568874638 /nfs/dbraw/zinc/87/46/38/568874638.db2.gz IBOSYBQBURHXNH-JTSKRJEESA-N 1 0 401.507 0.927 50 0 HCAARO Cc1ccccc1[C@@]1(CC(=O)N2CCC[C@@H](O)C2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299775316 568874540 /nfs/dbraw/zinc/87/45/40/568874540.db2.gz IBOSYBQBURHXNH-VGOFRKELSA-N 1 0 401.507 0.927 50 0 HCAARO 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