smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(C[N@H+](CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)cc1CO ZINC000012386412 520963643 /nfs/dbraw/zinc/96/36/43/520963643.db2.gz UYLUUYRROBLEKI-UHFFFAOYSA-N 2 0 444.591 4.077 50 0 IIAARP CCCCc1ncc(C[N@H+](CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)[nH]1 ZINC000012301937 521292242 /nfs/dbraw/zinc/29/22/42/521292242.db2.gz UGGJYUXUGJSWJG-UHFFFAOYSA-N 2 0 428.621 4.122 50 0 IIAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012314271 521654354 /nfs/dbraw/zinc/65/43/54/521654354.db2.gz DZOLDJYSJACEEE-NRFANRHFSA-N 2 0 425.539 4.298 50 0 IIAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+]([C@@H]3CCCC(C)(C)C3)CC2)c(Cl)c1 ZINC000012573876 521785322 /nfs/dbraw/zinc/78/53/22/521785322.db2.gz GQDCJFXJLGQVQY-LJQANCHMSA-N 2 0 436.040 4.443 50 0 IIAARP COCc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000012431368 522968544 /nfs/dbraw/zinc/96/85/44/522968544.db2.gz QDHPGEPGOTVXHU-QFIPXVFZSA-N 2 0 430.564 4.458 50 0 IIAARP COCCCC1CC[NH+](Cc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012299243 523087798 /nfs/dbraw/zinc/08/77/98/523087798.db2.gz MJSGRPGGLKXVSE-AREMUKBSSA-N 2 0 440.628 4.197 50 0 IIAARP COCC[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012758546 523752206 /nfs/dbraw/zinc/75/22/06/523752206.db2.gz RDLPWQIOKRQVNF-DEOSSOPVSA-N 2 0 444.623 4.200 50 0 IIAARP COCC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1 ZINC000012835580 523824056 /nfs/dbraw/zinc/82/40/56/523824056.db2.gz LCRFBQZLFWFDCF-NRFANRHFSA-N 2 0 434.584 4.327 50 0 IIAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)CCc1ccccc1 ZINC000011879503 556371665 /nfs/dbraw/zinc/37/16/65/556371665.db2.gz BWMJXJRGKIIERS-QHCPKHFHSA-N 2 0 425.592 4.061 50 0 IIAARP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000012091337 556402443 /nfs/dbraw/zinc/40/24/43/556402443.db2.gz GPJROQBMDZDMMJ-RUZDIDTESA-N 3 0 439.644 4.022 50 0 IIAARP COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000014962675 556464666 /nfs/dbraw/zinc/46/46/66/556464666.db2.gz GWSMDOAHDLUZJU-XMMPIXPASA-N 2 0 426.601 4.298 50 0 IIAARP Cc1ccc(C)c(C[NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)c1 ZINC000015063357 556490960 /nfs/dbraw/zinc/49/09/60/556490960.db2.gz FLTIFSGJKMJDGV-UHFFFAOYSA-N 2 0 444.019 4.292 50 0 IIAARP COc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(OC)c1 ZINC000014991621 557836893 /nfs/dbraw/zinc/83/68/93/557836893.db2.gz CJOCVDOUGZQDJF-LJQANCHMSA-N 2 0 442.629 4.061 50 0 IIAARP COc1cc2c(cc1OC)[C@@H](CCCC[C@@H]1[NH2+]CCc3cc(OC)c(OC)cc31)[NH2+]CC2 ZINC000011677652 562978965 /nfs/dbraw/zinc/97/89/65/562978965.db2.gz CYVSPLIJDCJRGR-SZPZYZBQSA-N 2 0 440.584 4.355 50 0 in-man IIAARP Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCC(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000009300503 569176810 /nfs/dbraw/zinc/17/68/10/569176810.db2.gz VUEFMTORIPAEDO-UHFFFAOYSA-N 2 0 438.616 4.019 50 0 IIAARP CC1(C)CC([NH+]2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)CC(C)(C)C1 ZINC000012308077 520281978 /nfs/dbraw/zinc/28/19/78/520281978.db2.gz HXGBWXYVQKUCMP-UHFFFAOYSA-N 2 0 440.676 4.479 50 0 IIAARP COc1cc(C[NH2+]Cc2cccc(Cl)c2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000012301936 522466490 /nfs/dbraw/zinc/46/64/90/522466490.db2.gz KRFQWGNBMLUHHM-QFIPXVFZSA-N 2 0 432.992 4.254 50 0 IIAARP COc1ccc(CC[N@@H+](Cc2sc(N(C)C)nc2Cl)CC2CC[NH+](C)CC2)cc1 ZINC000012003206 556385887 /nfs/dbraw/zinc/38/58/87/556385887.db2.gz NSDYRABXDDJJQZ-UHFFFAOYSA-N 2 0 437.053 4.258 50 0 IIAARP COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cc3ccccc3o2)C1 ZINC000012056891 556394486 /nfs/dbraw/zinc/39/44/86/556394486.db2.gz UUJOQRQVOHMWTE-NRFANRHFSA-N 2 0 449.595 4.357 50 0 IIAARP COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000014965421 556465396 /nfs/dbraw/zinc/46/53/96/556465396.db2.gz FFSIZODKUFCCJD-XMMPIXPASA-N 2 0 444.591 4.171 50 0 IIAARP c1cc2nonc2c(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000023360803 557087912 /nfs/dbraw/zinc/08/79/12/557087912.db2.gz XJYXROKRTJDSNJ-OAQYLSRUSA-N 2 0 425.621 4.165 50 0 IIAARP COc1cc2c(cc1OC)[C@H](CCCC[C@@H]1[NH2+]CCc3cc(OC)c(OC)cc31)[NH2+]CC2 ZINC000004212159 562942705 /nfs/dbraw/zinc/94/27/05/562942705.db2.gz CYVSPLIJDCJRGR-VXKWHMMOSA-N 2 0 440.584 4.355 50 0 in-man IIAARP CC1(C)CC([NH2+]C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000007010014 569118162 /nfs/dbraw/zinc/11/81/62/569118162.db2.gz ZJOMHFUVYNCKBT-JOCHJYFZSA-N 2 0 432.555 4.331 50 0 IIAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cn1c2ccccc2n(-c2ccccc2)c1=S ZINC000003279436 569443781 /nfs/dbraw/zinc/44/37/81/569443781.db2.gz SAFMEXYAKQEESS-UHFFFAOYSA-N 2 0 425.646 4.324 50 0 IIAARP CCOC(=O)N1CCC([N@H+](CC(C)C)CC2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000012703796 520923741 /nfs/dbraw/zinc/92/37/41/520923741.db2.gz KVHODWWMJMKROL-UHFFFAOYSA-N 2 0 445.648 4.486 50 0 IIAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc3cc(Cl)ccc3n2)CC1 ZINC000012434966 521655049 /nfs/dbraw/zinc/65/50/49/521655049.db2.gz RITNWOXUNBJMTI-QHCPKHFHSA-N 2 0 443.035 4.481 50 0 IIAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2nc(-c3cccs3)oc2C)CC1 ZINC000012431802 521655171 /nfs/dbraw/zinc/65/51/71/521655171.db2.gz KQZAPXGPTTVCQX-FQEVSTJZSA-N 2 0 444.645 4.304 50 0 IIAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+]([C@H]3CCCC(C)(C)C3)CC2)c(Cl)c1 ZINC000012573884 521783989 /nfs/dbraw/zinc/78/39/89/521783989.db2.gz GQDCJFXJLGQVQY-IBGZPJMESA-N 2 0 436.040 4.443 50 0 IIAARP COc1cc(C[NH2+]CCCc2ccccc2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000012577158 522449897 /nfs/dbraw/zinc/44/98/97/522449897.db2.gz GPKRNZKWXSMVLT-XMMPIXPASA-N 2 0 426.601 4.033 50 0 IIAARP CCn1nc(C)c(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1C ZINC000020779665 523636953 /nfs/dbraw/zinc/63/69/53/523636953.db2.gz QGQPPCCAXYRVRU-DEOSSOPVSA-N 2 0 429.697 4.462 50 0 IIAARP C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(F)cc1 ZINC000012532888 525412028 /nfs/dbraw/zinc/41/20/28/525412028.db2.gz DHHODUQJNDGTFN-OAQYLSRUSA-N 2 0 446.570 4.437 50 0 IIAARP Fc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ccc3nonc3c2)C[C@H]2CCCO2)CC1 ZINC000012763144 526409729 /nfs/dbraw/zinc/40/97/29/526409729.db2.gz PBUJGNZPMWVERQ-JOCHJYFZSA-N 2 0 438.547 4.255 50 0 IIAARP Cc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)cc1C ZINC000012021314 556386641 /nfs/dbraw/zinc/38/66/41/556386641.db2.gz CQOUTEBSRZAJFI-UHFFFAOYSA-N 2 0 444.019 4.292 50 0 IIAARP O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000014888594 556455871 /nfs/dbraw/zinc/45/58/71/556455871.db2.gz OVSAVFPCSWXTAE-GOTSBHOMSA-N 2 0 445.529 4.451 50 0 IIAARP COc1cc(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)ccc1F ZINC000014976092 556468745 /nfs/dbraw/zinc/46/87/45/556468745.db2.gz GVROKSVHOWTVQR-LJQANCHMSA-N 2 0 430.593 4.192 50 0 IIAARP COCC[N@@H+](Cc1c(OC)cccc1OC)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015062203 556490613 /nfs/dbraw/zinc/49/06/13/556490613.db2.gz OAFCFFLHRHHSPA-UHFFFAOYSA-N 2 0 430.564 4.204 50 0 IIAARP COc1cc(C[NH2+]CCc2ccccc2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011769160 556654100 /nfs/dbraw/zinc/65/41/00/556654100.db2.gz YVEPAOFAXQBAKQ-XMMPIXPASA-N 2 0 426.601 4.033 50 0 IIAARP C[C@@H]([NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000014112739 557305115 /nfs/dbraw/zinc/30/51/15/557305115.db2.gz VZJDWRKGRFMLGB-OAQYLSRUSA-N 2 0 429.564 4.475 50 0 IIAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000012303552 521654364 /nfs/dbraw/zinc/65/43/64/521654364.db2.gz NAIAFWATWVDJDV-FQEVSTJZSA-N 2 0 425.539 4.298 50 0 IIAARP Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@H+](C)CCCC[NH+]2CCOCC2)o1 ZINC000011879704 556371770 /nfs/dbraw/zinc/37/17/70/556371770.db2.gz UHBOEFQHIRUCOA-UHFFFAOYSA-N 2 0 426.536 4.124 50 0 IIAARP COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c2ccccc12 ZINC000011933165 556376899 /nfs/dbraw/zinc/37/68/99/556376899.db2.gz YSHHYWFRBSENMH-OAQYLSRUSA-N 2 0 437.628 4.393 50 0 IIAARP C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH+](Cc2cccc(Oc4ccccc4)c2)CC3)CC1 ZINC000012028135 556388145 /nfs/dbraw/zinc/38/81/45/556388145.db2.gz UBNUXBIWYOHUHO-VWLOTQADSA-N 2 0 433.596 4.245 50 0 IIAARP COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011816595 556658534 /nfs/dbraw/zinc/65/85/34/556658534.db2.gz RQNSCKFGSKBMFW-XMMPIXPASA-N 2 0 426.601 4.299 50 0 IIAARP O[C@H](COc1ccccc1C[NH2+]C1(c2ccccc2)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000012301219 568612974 /nfs/dbraw/zinc/61/29/74/568612974.db2.gz NECGDKSXTQVGPH-SANMLTNESA-N 2 0 428.576 4.264 50 0 IIAARP CCC[NH+]1CCC(NC(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)CC1 ZINC000012581723 519846333 /nfs/dbraw/zinc/84/63/33/519846333.db2.gz ODDJQRVXTORRIV-UHFFFAOYSA-N 2 0 449.639 4.377 50 0 IIAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2nc(-c3cccs3)oc2C)CC1 ZINC000012431801 521634053 /nfs/dbraw/zinc/63/40/53/521634053.db2.gz KQZAPXGPTTVCQX-HXUWFJFHSA-N 2 0 444.645 4.304 50 0 IIAARP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+]C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000057290029 521698446 /nfs/dbraw/zinc/69/84/46/521698446.db2.gz CQXWIMWUVNULDH-UHFFFAOYSA-N 2 0 428.580 4.146 50 0 IIAARP COc1cc(OC)c(OC)cc1C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012201944 522819972 /nfs/dbraw/zinc/81/99/72/522819972.db2.gz LPIRKGZACMTBOC-HSZRJFAPSA-N 2 0 446.632 4.348 50 0 IIAARP COCCCC1CC[NH+](Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000012299242 523088084 /nfs/dbraw/zinc/08/80/84/523088084.db2.gz MJSGRPGGLKXVSE-SANMLTNESA-N 2 0 440.628 4.197 50 0 IIAARP COCC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1 ZINC000012835583 523829014 /nfs/dbraw/zinc/82/90/14/523829014.db2.gz LCRFBQZLFWFDCF-OAQYLSRUSA-N 2 0 434.584 4.327 50 0 IIAARP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429688 523949370 /nfs/dbraw/zinc/94/93/70/523949370.db2.gz KPVNTVCXQZJLRP-DEOSSOPVSA-N 2 0 440.628 4.361 50 0 IIAARP COc1ccc(C[N@H+](C)C2CCCCC2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012300010 524001760 /nfs/dbraw/zinc/00/17/60/524001760.db2.gz MVCFNDDMAJUCOX-DEOSSOPVSA-N 2 0 426.601 4.331 50 0 IIAARP C[C@H]([NH2+]CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(F)cc1 ZINC000012532890 525306551 /nfs/dbraw/zinc/30/65/51/525306551.db2.gz DHHODUQJNDGTFN-NRFANRHFSA-N 2 0 446.570 4.437 50 0 IIAARP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000012753239 525650381 /nfs/dbraw/zinc/65/03/81/525650381.db2.gz KQTQALWTGYNXFX-NRFANRHFSA-N 2 0 437.628 4.393 50 0 IIAARP Cc1cc(C)c(C(=O)N(CCC[NH+](C)C)CC2CC[NH+](C3Cc4ccccc4C3)CC2)o1 ZINC000012073602 556396467 /nfs/dbraw/zinc/39/64/67/556396467.db2.gz DXGUVACBTDLCGW-UHFFFAOYSA-N 2 0 437.628 4.170 50 0 IIAARP c1cc2c(c(CN(CC[NH+]3CCCCC3)C[C@H]3CCC[N@@H+](C4CCCC4)C3)c1)OCO2 ZINC000019733273 556877020 /nfs/dbraw/zinc/87/70/20/556877020.db2.gz HZYUKNXZFFEUQD-JOCHJYFZSA-N 2 0 427.633 4.358 50 0 IIAARP COCc1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000015068193 568635109 /nfs/dbraw/zinc/63/51/09/568635109.db2.gz NLVYGMMHCXWEAA-VWLOTQADSA-N 2 0 430.633 4.477 50 0 IIAARP O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000299756905 568755513 /nfs/dbraw/zinc/75/55/13/568755513.db2.gz JZTANNMJKVJSOA-KSEOMHKRSA-N 2 0 437.550 4.441 50 0 IIAARP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000009731712 569564676 /nfs/dbraw/zinc/56/46/76/569564676.db2.gz CQDXMJGKWBJFPE-UHFFFAOYSA-N 2 0 447.023 4.364 50 0 IIAARP COc1ccc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c(OC)c1OC ZINC000012467441 524001650 /nfs/dbraw/zinc/00/16/50/524001650.db2.gz IBXBOGLIGASKGC-UHFFFAOYSA-N 2 0 430.564 4.238 50 0 IIAARP COc1ccccc1C[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012714568 524434906 /nfs/dbraw/zinc/43/49/06/524434906.db2.gz RZTMKHGHLVSSQM-XMMPIXPASA-N 2 0 426.601 4.331 50 0 IIAARP C[C@H]([NH2+]CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccs1 ZINC000012533928 525308731 /nfs/dbraw/zinc/30/87/31/525308731.db2.gz UXSVFQVYIFBDJO-FQEVSTJZSA-N 2 0 434.609 4.360 50 0 IIAARP CC(C)=CCC[C@H](C)C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)C(=O)N2CCC(C)C ZINC000014530564 556420025 /nfs/dbraw/zinc/42/00/25/556420025.db2.gz INOTVUSSZRKMHO-QFIPXVFZSA-N 2 0 434.669 4.075 50 0 IIAARP c1ccc2c(c1)CC([NH+]1CCC(C[N@H+](Cc3ccc4nonc4c3)C[C@H]3CCCO3)CC1)C2 ZINC000014957617 556462612 /nfs/dbraw/zinc/46/26/12/556462612.db2.gz KRGMMZFWWJRCFN-RUZDIDTESA-N 2 0 446.595 4.083 50 0 IIAARP COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000014962671 556464683 /nfs/dbraw/zinc/46/46/83/556464683.db2.gz GWSMDOAHDLUZJU-DEOSSOPVSA-N 2 0 426.601 4.298 50 0 IIAARP COc1ccc(C[N@H+](C)Cc2ccccc2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000014975415 556468339 /nfs/dbraw/zinc/46/83/39/556468339.db2.gz KOCUTNXTNZUUFN-VWLOTQADSA-N 2 0 434.580 4.199 50 0 IIAARP c1cc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n(-c2ncccn2)c1 ZINC000015064122 556491587 /nfs/dbraw/zinc/49/15/87/556491587.db2.gz NHMZGYYEOWFDPZ-UHFFFAOYSA-N 2 0 430.600 4.319 50 0 IIAARP c1ccc(N2CC[NH+](Cc3ccc(C[NH+]4CCN(c5ccccc5)CC4)cc3)CC2)cc1 ZINC000015376165 556523561 /nfs/dbraw/zinc/52/35/61/556523561.db2.gz LBRIUKWZTAEXST-UHFFFAOYSA-N 2 0 426.608 4.331 50 0 IIAARP CC[N@H+](Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)Cc1ccccc1 ZINC000034836522 556583167 /nfs/dbraw/zinc/58/31/67/556583167.db2.gz RNTCFIAPZJQCDD-UHFFFAOYSA-N 2 0 435.591 4.484 50 0 IIAARP CC(=O)c1cccc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000019791484 556915169 /nfs/dbraw/zinc/91/51/69/556915169.db2.gz MKKCACZXKOLTJL-UHFFFAOYSA-N 2 0 434.628 4.093 50 0 IIAARP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012457868 519826530 /nfs/dbraw/zinc/82/65/30/519826530.db2.gz VZDAFRMMKGPBRO-HHHXNRCGSA-N 2 0 449.639 4.185 50 0 IIAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000012303551 521634511 /nfs/dbraw/zinc/63/45/11/521634511.db2.gz NAIAFWATWVDJDV-HXUWFJFHSA-N 2 0 425.539 4.298 50 0 IIAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc3cc(Cl)ccc3n2)CC1 ZINC000012434965 521634807 /nfs/dbraw/zinc/63/48/07/521634807.db2.gz RITNWOXUNBJMTI-HSZRJFAPSA-N 2 0 443.035 4.481 50 0 IIAARP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012594669 523045202 /nfs/dbraw/zinc/04/52/02/523045202.db2.gz YOVWNJUSEWGOPL-XMMPIXPASA-N 2 0 449.639 4.186 50 0 IIAARP COc1ccc(C[NH2+]Cc2cccc(F)c2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012714015 524073617 /nfs/dbraw/zinc/07/36/17/524073617.db2.gz OXWNKXIGRPBBSD-QHCPKHFHSA-N 2 0 430.564 4.130 50 0 IIAARP Cc1cc([C@@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716794 555866419 /nfs/dbraw/zinc/86/64/19/555866419.db2.gz PHVGGZWKGIOIJO-NHCUHLMSSA-N 2 0 431.983 4.071 50 0 IIAARP CCC[N@@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)CC1CC1 ZINC000019741524 556883930 /nfs/dbraw/zinc/88/39/30/556883930.db2.gz RRPYPOCULUHHPB-UHFFFAOYSA-N 2 0 437.632 4.047 50 0 IIAARP O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000299756902 568755392 /nfs/dbraw/zinc/75/53/92/568755392.db2.gz JZTANNMJKVJSOA-ILWGZMRPSA-N 2 0 437.550 4.441 50 0 IIAARP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000252522976 569189590 /nfs/dbraw/zinc/18/95/90/569189590.db2.gz BOLHZOHEUOVICL-CRXYYGHGSA-N 3 0 447.667 4.424 50 0 IIAARP CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000253398855 569264829 /nfs/dbraw/zinc/26/48/29/569264829.db2.gz CITUMNNQLWFKLD-AZGAKELHSA-N 2 0 431.624 4.431 50 0 biogenic IIAARP CC(C)[NH+]1CCC(N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020777443 519670460 /nfs/dbraw/zinc/67/04/60/519670460.db2.gz WHNYRJMWXVIQHO-QHCPKHFHSA-N 2 0 438.582 4.165 50 0 IIAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cnc2ccccc2c1 ZINC000012597350 521747859 /nfs/dbraw/zinc/74/78/59/521747859.db2.gz LQVSACKBRQBKKS-OAQYLSRUSA-N 2 0 448.586 4.290 50 0 IIAARP CN(C)c1ncc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC000020912481 522339311 /nfs/dbraw/zinc/33/93/11/522339311.db2.gz PCYRRVOHANYCBV-OAQYLSRUSA-N 2 0 433.710 4.152 50 0 IIAARP COc1cc(C[N@H+](C)Cc2ccccc2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012457806 522354473 /nfs/dbraw/zinc/35/44/73/522354473.db2.gz OEBJTPQEBVEBPR-XMMPIXPASA-N 2 0 426.601 4.333 50 0 IIAARP C[N@@H+](Cc1ccc(N2CCNC2=O)cc1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000012711220 523261308 /nfs/dbraw/zinc/26/13/08/523261308.db2.gz AFOCWXLWQZGHIC-QFIPXVFZSA-N 2 0 441.019 4.256 50 0 IIAARP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccc(OC(C)C)c(CO)c3)C2)cc1 ZINC000012429689 523948867 /nfs/dbraw/zinc/94/88/67/523948867.db2.gz KPVNTVCXQZJLRP-XMMPIXPASA-N 2 0 440.628 4.361 50 0 IIAARP C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)[C@@H]1CC12CCCC2 ZINC000012193827 524053697 /nfs/dbraw/zinc/05/36/97/524053697.db2.gz UGPSTEQOXFEYRG-SANMLTNESA-N 2 0 437.672 4.226 50 0 IIAARP O[C@H](COc1ccc(C[NH2+]CCc2ccc(C(F)(F)F)cc2)cc1)C[NH+]1CCCCC1 ZINC000012719063 526289471 /nfs/dbraw/zinc/28/94/71/526289471.db2.gz RHHUEMKHXMZVIG-QFIPXVFZSA-N 2 0 436.518 4.263 50 0 IIAARP CCn1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c(C)n1 ZINC000011844072 556367028 /nfs/dbraw/zinc/36/70/28/556367028.db2.gz DIKZVMMSHCWWSI-DEOSSOPVSA-N 2 0 428.596 4.244 50 0 IIAARP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000012091334 556402341 /nfs/dbraw/zinc/40/23/41/556402341.db2.gz GPJROQBMDZDMMJ-VWLOTQADSA-N 3 0 439.644 4.022 50 0 IIAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccc(Cl)cc1 ZINC000012725726 562982990 /nfs/dbraw/zinc/98/29/90/562982990.db2.gz UCIMUKXLDLVTCK-IBGZPJMESA-N 2 0 431.983 4.395 50 0 IIAARP CC(C)=CCC[C@@H](C)C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)C(=O)N2CCC(C)C ZINC000014530565 519419008 /nfs/dbraw/zinc/41/90/08/519419008.db2.gz INOTVUSSZRKMHO-JOCHJYFZSA-N 2 0 434.669 4.075 50 0 IIAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH+]1CCC(c2ccncc2)CC1)C1CCCCC1 ZINC000012436311 523100240 /nfs/dbraw/zinc/10/02/40/523100240.db2.gz RKMXLBZHEFAEJT-SANMLTNESA-N 2 0 437.628 4.465 50 0 IIAARP CCc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)cc1 ZINC000012715972 523924513 /nfs/dbraw/zinc/92/45/13/523924513.db2.gz BYCBJXQJEQAIEG-UHFFFAOYSA-N 2 0 444.019 4.237 50 0 IIAARP CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000011773456 556350649 /nfs/dbraw/zinc/35/06/49/556350649.db2.gz ZIXGOXOYWXKOKO-QHCPKHFHSA-N 2 0 441.591 4.044 50 0 IIAARP COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011838937 556363790 /nfs/dbraw/zinc/36/37/90/556363790.db2.gz IMPBQOKEXJOVOS-XMMPIXPASA-N 2 0 426.601 4.298 50 0 IIAARP COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011838934 556363913 /nfs/dbraw/zinc/36/39/13/556363913.db2.gz IMPBQOKEXJOVOS-DEOSSOPVSA-N 2 0 426.601 4.298 50 0 IIAARP COc1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc(OC)c1OC ZINC000014962610 556464511 /nfs/dbraw/zinc/46/45/11/556464511.db2.gz PDXRPHNYSGPRGI-QHCPKHFHSA-N 2 0 446.632 4.348 50 0 IIAARP CC[N@H+](CC1CC[NH+](C2CCN(C)CC2)CC1)C1CCN(c2cccc(Cl)c2)CC1 ZINC000019226818 556717035 /nfs/dbraw/zinc/71/70/35/556717035.db2.gz VUSFQPLDHLAVPT-UHFFFAOYSA-N 2 0 433.084 4.437 50 0 IIAARP COCC[N@@H+](Cc1cccn1-c1ccccn1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012431905 523757663 /nfs/dbraw/zinc/75/76/63/523757663.db2.gz VHUOALACQRTEFW-UHFFFAOYSA-N 2 0 436.575 4.372 50 0 IIAARP Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1C ZINC000012711765 526072747 /nfs/dbraw/zinc/07/27/47/526072747.db2.gz BOEYOXIHYMPAFX-QFIPXVFZSA-N 2 0 425.592 4.359 50 0 IIAARP Cc1nn(C)cc1C[N@H+](C)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2cccnc2)CC1 ZINC000012190792 527692192 /nfs/dbraw/zinc/69/21/92/527692192.db2.gz QTJYPFIHXFPFBY-AREMUKBSSA-N 2 0 435.591 4.218 50 0 IIAARP CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2Cl)CC1 ZINC000011842275 556365954 /nfs/dbraw/zinc/36/59/54/556365954.db2.gz KXXMVOZWLRVKLK-UHFFFAOYSA-N 2 0 436.040 4.445 50 0 IIAARP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011933144 556376525 /nfs/dbraw/zinc/37/65/25/556376525.db2.gz IICMSWKYIHKMDD-FQEVSTJZSA-N 2 0 434.024 4.340 50 0 IIAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2[nH]c3ccc(OC)cc3c2C)CC1 ZINC000015074978 556498920 /nfs/dbraw/zinc/49/89/20/556498920.db2.gz QRGBIAUVAZGENO-NRFANRHFSA-N 2 0 440.632 4.078 50 0 IIAARP COCc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)o1 ZINC000015078080 556499845 /nfs/dbraw/zinc/49/98/45/556499845.db2.gz NFVYXIWYJMYMCB-VWLOTQADSA-N 2 0 438.612 4.286 50 0 IIAARP c1cc2nonc2c(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000023360801 557087824 /nfs/dbraw/zinc/08/78/24/557087824.db2.gz XJYXROKRTJDSNJ-NRFANRHFSA-N 2 0 425.621 4.165 50 0 IIAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000011873366 569262951 /nfs/dbraw/zinc/26/29/51/569262951.db2.gz HJGLSMNLHJTEND-UHFFFAOYSA-N 2 0 437.506 4.341 50 0 IIAARP CN(CC[NH+]1CCCCC1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012315446 522831430 /nfs/dbraw/zinc/83/14/30/522831430.db2.gz MUDVTSMTBBREJZ-UHFFFAOYSA-N 2 0 449.639 4.330 50 0 IIAARP COc1ccc(C[N@H+](C)Cc2cc3cc(F)ccc3[nH]2)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012596854 524005546 /nfs/dbraw/zinc/00/55/46/524005546.db2.gz GMOKQICMMRSOGF-JOCHJYFZSA-N 2 0 443.563 4.028 50 0 IIAARP COc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccc(OCCO)c2)CC(C)C)CC1 ZINC000012706582 524449860 /nfs/dbraw/zinc/44/98/60/524449860.db2.gz HIZKTBGLPMZFDH-UHFFFAOYSA-N 2 0 440.628 4.437 50 0 IIAARP Cc1ccccc1-c1cccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000022909914 525005616 /nfs/dbraw/zinc/00/56/16/525005616.db2.gz CJGWBPHTQFCYQT-HHHXNRCGSA-N 2 0 435.656 4.403 50 0 IIAARP CSc1ncc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000020906520 526221545 /nfs/dbraw/zinc/22/15/45/526221545.db2.gz UEOSNWPBVQJZGG-NRFANRHFSA-N 2 0 431.694 4.141 50 0 IIAARP OCC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)CC1 ZINC000012314502 527551986 /nfs/dbraw/zinc/55/19/86/527551986.db2.gz WVZDZLBCZBTODV-UHFFFAOYSA-N 2 0 442.966 4.126 50 0 IIAARP Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccncc2)CC1 ZINC000012158941 527691541 /nfs/dbraw/zinc/69/15/41/527691541.db2.gz QMJDQDDZTULUDW-SANMLTNESA-N 2 0 435.591 4.218 50 0 IIAARP Cc1cc([C@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716795 555866395 /nfs/dbraw/zinc/86/63/95/555866395.db2.gz PHVGGZWKGIOIJO-LEWJYISDSA-N 2 0 431.983 4.071 50 0 IIAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1)C1CC[NH+](C)CC1 ZINC000011840751 556364807 /nfs/dbraw/zinc/36/48/07/556364807.db2.gz WEPHZDNHTGOFBH-GOSISDBHSA-N 2 0 425.539 4.250 50 0 IIAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011933143 556376561 /nfs/dbraw/zinc/37/65/61/556376561.db2.gz IICMSWKYIHKMDD-HXUWFJFHSA-N 2 0 434.024 4.340 50 0 IIAARP CN(C(=O)CC[C@H]1CCC[N@H+](CC2=Cc3cc(Cl)ccc3OC2)C1)C1CC[NH+](C)CC1 ZINC000011934835 556377958 /nfs/dbraw/zinc/37/79/58/556377958.db2.gz TZPATYRXRMHEIW-LJQANCHMSA-N 2 0 446.035 4.161 50 0 IIAARP COc1ccc(C[N@H+](C)Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)c2cccnc12 ZINC000012026917 556387766 /nfs/dbraw/zinc/38/77/66/556387766.db2.gz LETQJIRRNNNTCG-QHCPKHFHSA-N 2 0 449.595 4.101 50 0 IIAARP COc1cc(C[NH2+]Cc2ccc(C)c(F)c2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012076254 556397846 /nfs/dbraw/zinc/39/78/46/556397846.db2.gz LELUKGPZQXVLFJ-HSZRJFAPSA-N 2 0 444.591 4.437 50 0 IIAARP C[C@@H](C[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1)c1ccccc1 ZINC000014964688 556465425 /nfs/dbraw/zinc/46/54/25/556465425.db2.gz VYBIIQVIAWBQMD-IBGZPJMESA-N 2 0 444.019 4.278 50 0 IIAARP O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000033274474 556558504 /nfs/dbraw/zinc/55/85/04/556558504.db2.gz XPENCANVYIRXKQ-UHFFFAOYSA-N 2 0 438.641 4.054 50 0 IIAARP COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011816594 556658149 /nfs/dbraw/zinc/65/81/49/556658149.db2.gz RQNSCKFGSKBMFW-DEOSSOPVSA-N 2 0 426.601 4.299 50 0 IIAARP COc1ccc(C[NH2+]Cc2ccc(C)s2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000014980225 557602320 /nfs/dbraw/zinc/60/23/20/557602320.db2.gz DDCFHOSQWPPCIR-NRFANRHFSA-N 2 0 432.630 4.361 50 0 IIAARP CCC[N@@H+](Cc1ccc(OC)c(OC[C@H](O)C[NH+](C)Cc2ccccc2)c1)CC1CC1 ZINC000015079985 568636843 /nfs/dbraw/zinc/63/68/43/568636843.db2.gz WSJLLVCISRWGKI-XMMPIXPASA-N 2 0 426.601 4.189 50 0 IIAARP CSc1ncc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000020906522 526221190 /nfs/dbraw/zinc/22/11/90/526221190.db2.gz UEOSNWPBVQJZGG-OAQYLSRUSA-N 2 0 431.694 4.141 50 0 IIAARP CC(C)n1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cn1 ZINC000011999110 556385231 /nfs/dbraw/zinc/38/52/31/556385231.db2.gz DIFHPKFXTWJMOS-DEOSSOPVSA-N 2 0 428.596 4.496 50 0 IIAARP COc1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012051533 556392576 /nfs/dbraw/zinc/39/25/76/556392576.db2.gz SUDQJEZTBWPIQL-VWLOTQADSA-N 2 0 446.591 4.346 50 0 IIAARP O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000014888590 556455851 /nfs/dbraw/zinc/45/58/51/556455851.db2.gz OVSAVFPCSWXTAE-XZOQPEGZSA-N 2 0 445.529 4.451 50 0 IIAARP COc1ccc(CC[N@@H+](Cc2cc(OC)c(OC)cc2OC)CC2CC[NH+](C)CC2)cc1 ZINC000014974213 556467800 /nfs/dbraw/zinc/46/78/00/556467800.db2.gz RDFHWFSGOGMTAX-UHFFFAOYSA-N 2 0 442.600 4.108 50 0 IIAARP COc1cc(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)ccc1F ZINC000014976096 556468821 /nfs/dbraw/zinc/46/88/21/556468821.db2.gz GVROKSVHOWTVQR-IBGZPJMESA-N 2 0 430.593 4.192 50 0 IIAARP Cc1ccc(C(=O)N(CCC[NH+](C)C)CC2CC[NH+](C3Cc4ccccc4C3)CC2)s1 ZINC000011873308 556668090 /nfs/dbraw/zinc/66/80/90/556668090.db2.gz JPEWMDUKIYGQQM-UHFFFAOYSA-N 2 0 439.669 4.330 50 0 IIAARP CC(=O)N1CCC([N@@H+](Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000011933637 556675793 /nfs/dbraw/zinc/67/57/93/556675793.db2.gz VTFFJIRQGFOHRG-UHFFFAOYSA-N 2 0 434.628 4.115 50 0 IIAARP CCC[N@@H+](Cc1ccc(OC)c(OC[C@@H](O)C[NH+](C)Cc2ccccc2)c1)CC1CC1 ZINC000015079981 568636802 /nfs/dbraw/zinc/63/68/02/568636802.db2.gz WSJLLVCISRWGKI-DEOSSOPVSA-N 2 0 426.601 4.189 50 0 IIAARP CC(=O)c1cccc(CN(CC[NH+](C)C)C[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC000020542357 518421959 /nfs/dbraw/zinc/42/19/59/518421959.db2.gz ZKKVCEALIMPOTL-QHCPKHFHSA-N 2 0 425.592 4.304 50 0 IIAARP COc1ccc(C[N@H+](C)Cc2ccsc2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012703867 524007339 /nfs/dbraw/zinc/00/73/39/524007339.db2.gz YWMBIIZZZGLBMV-QHCPKHFHSA-N 2 0 440.609 4.260 50 0 IIAARP O[C@@H](COc1ccc(C[NH2+]CCc2ccc(C(F)(F)F)cc2)cc1)C[NH+]1CCCCC1 ZINC000012719062 527660517 /nfs/dbraw/zinc/66/05/17/527660517.db2.gz RHHUEMKHXMZVIG-JOCHJYFZSA-N 2 0 436.518 4.263 50 0 IIAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1)C1CC[NH+](C)CC1 ZINC000011717151 556348432 /nfs/dbraw/zinc/34/84/32/556348432.db2.gz WVIIMWNPIKIHCX-HXUWFJFHSA-N 2 0 440.657 4.355 50 0 IIAARP COc1cc(C[NH2+]Cc2cc(F)ccc2C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011841518 556365081 /nfs/dbraw/zinc/36/50/81/556365081.db2.gz OUDWWNXBZOYCJF-DEOSSOPVSA-N 2 0 444.591 4.437 50 0 IIAARP O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000014888596 556455885 /nfs/dbraw/zinc/45/58/85/556455885.db2.gz OVSAVFPCSWXTAE-PKTZIBPZSA-N 2 0 445.529 4.451 50 0 IIAARP C[C@@H]([NH2+]CCCCCC[NH2+][C@@H](C)[C@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 ZINC000104835808 568837462 /nfs/dbraw/zinc/83/74/62/568837462.db2.gz KRHUODPDRKCWEJ-CVFFRKHJSA-N 2 0 440.584 4.183 50 0 IIAARP CN(C)c1ncc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC000020912477 522340486 /nfs/dbraw/zinc/34/04/86/522340486.db2.gz PCYRRVOHANYCBV-NRFANRHFSA-N 2 0 433.710 4.152 50 0 IIAARP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cnc(N(C)C)s2)C[C@@H]2CCCO2)CC1 ZINC000012466972 525136287 /nfs/dbraw/zinc/13/62/87/525136287.db2.gz ONFAPQSQEYXDCL-QHCPKHFHSA-N 2 0 442.673 4.411 50 0 IIAARP Cn1cnnc1Sc1ccc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)o1 ZINC000011817958 556360428 /nfs/dbraw/zinc/36/04/28/556360428.db2.gz WNEIDQONULLMFW-UHFFFAOYSA-N 2 0 443.592 4.085 50 0 IIAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1)C1CC[NH+](C)CC1 ZINC000011840749 556364824 /nfs/dbraw/zinc/36/48/24/556364824.db2.gz WEPHZDNHTGOFBH-SFHVURJKSA-N 2 0 425.539 4.250 50 0 IIAARP CCn1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c(C)n1 ZINC000011844073 556367122 /nfs/dbraw/zinc/36/71/22/556367122.db2.gz DIKZVMMSHCWWSI-XMMPIXPASA-N 2 0 428.596 4.244 50 0 IIAARP CC(C)c1nc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cs1 ZINC000011933210 556376923 /nfs/dbraw/zinc/37/69/23/556376923.db2.gz XKROPQPGNHRUAY-LJQANCHMSA-N 2 0 446.636 4.322 50 0 IIAARP CCCC[C@@H]1C[N@H+](CCC(=O)NC[C@@H]2CCC[NH+]3CCCC[C@H]23)Cc2ccccc2O1 ZINC000011970859 556382627 /nfs/dbraw/zinc/38/26/27/556382627.db2.gz KYMKQQSRKKHYRX-QPTUXGOLSA-N 2 0 427.633 4.211 50 0 IIAARP COCC[N@@H+](Cc1cc(OC)cc(OC)c1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011711831 556643208 /nfs/dbraw/zinc/64/32/08/556643208.db2.gz VBZHEUBOEPTTLI-UHFFFAOYSA-N 2 0 442.600 4.073 50 0 IIAARP COc1cc(C[NH2+]CCc2ccccc2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011769169 556654145 /nfs/dbraw/zinc/65/41/45/556654145.db2.gz YVEPAOFAXQBAKQ-DEOSSOPVSA-N 2 0 426.601 4.033 50 0 IIAARP CCC[NH+]1CCC(NC(=O)c2cc(OC)ccc2OC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000011933432 556675854 /nfs/dbraw/zinc/67/58/54/556675854.db2.gz JKEKIEYWSUJGBP-UHFFFAOYSA-N 2 0 443.632 4.085 50 0 IIAARP Cc1ccccc1-c1cccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000023153321 557069320 /nfs/dbraw/zinc/06/93/20/557069320.db2.gz CJGWBPHTQFCYQT-MHZLTWQESA-N 2 0 435.656 4.403 50 0 IIAARP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000225634142 557754782 /nfs/dbraw/zinc/75/47/82/557754782.db2.gz BOLHZOHEUOVICL-XNFLFYSQSA-N 3 0 447.667 4.424 50 0 IIAARP CC(=O)c1cccc(C[NH+]2CCC(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000012705933 518422263 /nfs/dbraw/zinc/42/22/63/518422263.db2.gz IINOPAQUWWSCNT-HHHXNRCGSA-N 2 0 447.623 4.272 50 0 IIAARP COCC[N@@H+](Cc1ccc(-n2cccn2)cc1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012718397 523742299 /nfs/dbraw/zinc/74/22/99/523742299.db2.gz XPUXONUYQWIJER-UHFFFAOYSA-N 2 0 448.611 4.242 50 0 IIAARP Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1C ZINC000012711760 526072392 /nfs/dbraw/zinc/07/23/92/526072392.db2.gz BOEYOXIHYMPAFX-JOCHJYFZSA-N 2 0 425.592 4.359 50 0 IIAARP Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2cccnc2)CC1 ZINC000012190791 527691505 /nfs/dbraw/zinc/69/15/05/527691505.db2.gz QTJYPFIHXFPFBY-SANMLTNESA-N 2 0 435.591 4.218 50 0 IIAARP COc1ccc(CC[N@@H+](Cc2nccn2-c2ccc(OC)cc2)CC2CC[NH+](C)CC2)cc1 ZINC000011936106 556378356 /nfs/dbraw/zinc/37/83/56/556378356.db2.gz DZBCYTGZYDWBJE-UHFFFAOYSA-N 2 0 448.611 4.276 50 0 IIAARP CC[N@H+](Cc1ccncc1)Cc1ccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c(OC)c1 ZINC000012304954 521421649 /nfs/dbraw/zinc/42/16/49/521421649.db2.gz HKJKJKATYKJHTO-XMMPIXPASA-N 2 0 441.616 4.117 50 0 IIAARP C[N@@H+](Cc1ccc(N2CCNC2=O)cc1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000012711223 523262997 /nfs/dbraw/zinc/26/29/97/523262997.db2.gz AFOCWXLWQZGHIC-JOCHJYFZSA-N 2 0 441.019 4.256 50 0 IIAARP CCn1nc(C)c(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)c1C ZINC000020779669 523637754 /nfs/dbraw/zinc/63/77/54/523637754.db2.gz QGQPPCCAXYRVRU-XMMPIXPASA-N 2 0 429.697 4.462 50 0 IIAARP COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012922634 525408880 /nfs/dbraw/zinc/40/88/80/525408880.db2.gz CUDOVPVEVJMCET-AREMUKBSSA-N 2 0 435.612 4.393 50 0 IIAARP COc1cccc(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1OC ZINC000012217449 525942514 /nfs/dbraw/zinc/94/25/14/525942514.db2.gz OYZIODDAVVDYRU-IBGZPJMESA-N 2 0 442.629 4.061 50 0 IIAARP Cn1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c2cc(Cl)ccc21 ZINC000035457858 527197310 /nfs/dbraw/zinc/19/73/10/527197310.db2.gz LKFSFEBTXCVJEE-UHFFFAOYSA-N 2 0 431.024 4.036 50 0 IIAARP COc1cc(C[N@H+](C)Cc2ccc(C)o2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000011815490 556358465 /nfs/dbraw/zinc/35/84/65/556358465.db2.gz WBJVIXGNFBZJQY-JOCHJYFZSA-N 2 0 430.589 4.233 50 0 IIAARP CC(C)c1nc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cs1 ZINC000011933211 556376883 /nfs/dbraw/zinc/37/68/83/556376883.db2.gz XKROPQPGNHRUAY-IBGZPJMESA-N 2 0 446.636 4.322 50 0 IIAARP O=c1c(C[NH2+]CCC2=CCCCC2)cc2cc3c(cc2n1CC[NH+]1CCCCC1)OCO3 ZINC000012035606 556389868 /nfs/dbraw/zinc/38/98/68/556389868.db2.gz GHQLCBNXLFFYCY-UHFFFAOYSA-N 2 0 437.584 4.196 50 0 IIAARP C[C@H](C[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1)c1ccccc1 ZINC000014964693 556465384 /nfs/dbraw/zinc/46/53/84/556465384.db2.gz VYBIIQVIAWBQMD-LJQANCHMSA-N 2 0 444.019 4.278 50 0 IIAARP COc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ccccc2OCCO)CC(C)C)CC1 ZINC000015077826 556499996 /nfs/dbraw/zinc/49/99/96/556499996.db2.gz AHVWYVDZWSBHPG-UHFFFAOYSA-N 2 0 440.628 4.437 50 0 IIAARP CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000011910321 556670057 /nfs/dbraw/zinc/67/00/57/556670057.db2.gz JAKSYSAYUARDAT-HXUWFJFHSA-N 2 0 426.630 4.443 50 0 IIAARP Fc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccc3nonc32)C[C@H]2CCCO2)CC1 ZINC000055099044 556734235 /nfs/dbraw/zinc/73/42/35/556734235.db2.gz IQHDGLBJNUCWEW-JOCHJYFZSA-N 2 0 438.547 4.255 50 0 IIAARP Fc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccc3nonc32)C[C@@H]2CCCO2)CC1 ZINC000055099043 556734324 /nfs/dbraw/zinc/73/43/24/556734324.db2.gz IQHDGLBJNUCWEW-QFIPXVFZSA-N 2 0 438.547 4.255 50 0 IIAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2c(C)cc(C)cc2-n2cccn2)CC1 ZINC000055099653 556734662 /nfs/dbraw/zinc/73/46/62/556734662.db2.gz ZVEWFSJQVYMLDS-UHFFFAOYSA-N 2 0 447.627 4.245 50 0 IIAARP OCCOc1ccc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000022919998 557046998 /nfs/dbraw/zinc/04/69/98/557046998.db2.gz QHCRHTOIZKXHRL-VWLOTQADSA-N 2 0 443.676 4.000 50 0 IIAARP CC[NH+](CC)CC(=O)Nc1ccc2c(c1)N(C(=O)C[NH+](CC)CC)c1ccccc1CC2 ZINC000000869977 562919469 /nfs/dbraw/zinc/91/94/69/562919469.db2.gz OCENEPXQFHBLMK-UHFFFAOYSA-N 2 0 436.600 4.072 50 0 IIAARP O[C@@H](COc1ccccc1C[NH2+]C1(c2ccccc2)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000012301217 568612939 /nfs/dbraw/zinc/61/29/39/568612939.db2.gz NECGDKSXTQVGPH-AREMUKBSSA-N 2 0 428.576 4.264 50 0 IIAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH+]1CCC(c2ccncc2)CC1)C1CCCCC1 ZINC000012436310 523023631 /nfs/dbraw/zinc/02/36/31/523023631.db2.gz RKMXLBZHEFAEJT-AREMUKBSSA-N 2 0 437.628 4.465 50 0 IIAARP COCC[N@@H+](Cc1ccc(OC)c(OC)c1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012430206 523751187 /nfs/dbraw/zinc/75/11/87/523751187.db2.gz MLZANPTXCPZDDX-UHFFFAOYSA-N 2 0 442.600 4.073 50 0 IIAARP COc1ccc(CC[N@@H+](CC2=Cc3cccc(OC)c3OC2)CC2CC[NH+](C)CC2)cc1 ZINC000012836975 523940035 /nfs/dbraw/zinc/94/00/35/523940035.db2.gz XCPGQNFXXDZLFR-UHFFFAOYSA-N 2 0 436.596 4.366 50 0 IIAARP COc1ccccc1C[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012714562 524435889 /nfs/dbraw/zinc/43/58/89/524435889.db2.gz RZTMKHGHLVSSQM-DEOSSOPVSA-N 2 0 426.601 4.331 50 0 IIAARP COc1ccc(C[NH2+]Cc2cc(F)ccc2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011816861 556359653 /nfs/dbraw/zinc/35/96/53/556359653.db2.gz YQAAGTWBDVCENO-XMMPIXPASA-N 2 0 444.591 4.438 50 0 IIAARP COc1cc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)ccc1F ZINC000011820558 556362454 /nfs/dbraw/zinc/36/24/54/556362454.db2.gz KVLYHUQULHBVHN-UHFFFAOYSA-N 2 0 440.607 4.038 50 0 IIAARP CN(C(=O)CC[C@@H]1CCC[N@H+](CC2=Cc3cc(Cl)ccc3OC2)C1)C1CC[NH+](C)CC1 ZINC000011934834 556377815 /nfs/dbraw/zinc/37/78/15/556377815.db2.gz TZPATYRXRMHEIW-IBGZPJMESA-N 2 0 446.035 4.161 50 0 IIAARP COc1ccc(CC[N@@H+](Cc2cnn(-c3ccccc3F)c2)CC2CC[NH+](C)CC2)cc1 ZINC000012073818 556396889 /nfs/dbraw/zinc/39/68/89/556396889.db2.gz REOCMZRPBPDUDV-UHFFFAOYSA-N 2 0 436.575 4.407 50 0 IIAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](CCCc3ccccc3)CC2)c(Cl)c1 ZINC000015074504 556498471 /nfs/dbraw/zinc/49/84/71/556498471.db2.gz VHCSHSUFRRCCSE-UHFFFAOYSA-N 2 0 444.019 4.107 50 0 IIAARP CCOc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1CO ZINC000011842628 556660552 /nfs/dbraw/zinc/66/05/52/556660552.db2.gz NCHZAVHPACZMCU-RUZDIDTESA-N 2 0 430.633 4.213 50 0 IIAARP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000058332145 556781551 /nfs/dbraw/zinc/78/15/51/556781551.db2.gz MTJJMKWPNLBWAQ-WMPKNSHKSA-N 2 0 434.628 4.110 50 0 IIAARP Cc1ccccc1C[N@@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@@H]1CCO ZINC000020209862 556998731 /nfs/dbraw/zinc/99/87/31/556998731.db2.gz BNNPAQPZBNUIOJ-QHCPKHFHSA-N 2 0 427.658 4.111 50 0 IIAARP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000225634083 557754772 /nfs/dbraw/zinc/75/47/72/557754772.db2.gz BOLHZOHEUOVICL-PIZZNKLWSA-N 3 0 447.667 4.424 50 0 IIAARP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000071281464 569573711 /nfs/dbraw/zinc/57/37/11/569573711.db2.gz ZJJVWVXHLMSZAI-UHFFFAOYSA-N 2 0 439.603 4.489 50 0 IIAARP CC(=O)c1cccc(C[NH+]2CCC(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000012705941 518422077 /nfs/dbraw/zinc/42/20/77/518422077.db2.gz IINOPAQUWWSCNT-MHZLTWQESA-N 2 0 447.623 4.272 50 0 IIAARP CCCN1CCC([N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000012385928 519844497 /nfs/dbraw/zinc/84/44/97/519844497.db2.gz RZHBAEFXTJLHNS-RUZDIDTESA-N 2 0 431.640 4.393 50 0 IIAARP C[NH+](C)CCOc1ccc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc1 ZINC000012385327 521797447 /nfs/dbraw/zinc/79/74/47/521797447.db2.gz IBJZLHGBZNUHPN-UHFFFAOYSA-N 3 0 427.608 4.153 50 0 IIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3c(OC)cc(OC)cc3OC)CC2)cc1 ZINC000012712273 523949132 /nfs/dbraw/zinc/94/91/32/523949132.db2.gz HUVIYJSVTZJHKG-UHFFFAOYSA-N 2 0 442.600 4.108 50 0 IIAARP COc1ccc(C[N@H+](C)C2CCCCC2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012300012 524002525 /nfs/dbraw/zinc/00/25/25/524002525.db2.gz MVCFNDDMAJUCOX-XMMPIXPASA-N 2 0 426.601 4.331 50 0 IIAARP COc1cc(C[N@H+](C)Cc2ccc(C)o2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000011815492 556358357 /nfs/dbraw/zinc/35/83/57/556358357.db2.gz WBJVIXGNFBZJQY-QFIPXVFZSA-N 2 0 430.589 4.233 50 0 IIAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccc2ncccc2c1 ZINC000011817043 556359526 /nfs/dbraw/zinc/35/95/26/556359526.db2.gz ZKVFCSHKERVGBP-NRFANRHFSA-N 2 0 448.586 4.290 50 0 IIAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000011933933 556377360 /nfs/dbraw/zinc/37/73/60/556377360.db2.gz HMMVJUZENFRKSJ-SFHVURJKSA-N 2 0 425.539 4.250 50 0 IIAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1(c2ccccc2)CC1 ZINC000014953990 556461549 /nfs/dbraw/zinc/46/15/49/556461549.db2.gz PVBPPVHTGZJKDQ-JOCHJYFZSA-N 2 0 437.603 4.160 50 0 IIAARP COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000014965417 556465414 /nfs/dbraw/zinc/46/54/14/556465414.db2.gz FFSIZODKUFCCJD-DEOSSOPVSA-N 2 0 444.591 4.171 50 0 IIAARP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2nc(-c3cccc(Cl)c3)oc2C)CC1 ZINC000009731800 569564695 /nfs/dbraw/zinc/56/46/95/569564695.db2.gz PUHDEMYZIOXNCD-UHFFFAOYSA-N 2 0 447.023 4.364 50 0 IIAARP COCC[N@@H+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012750754 523742488 /nfs/dbraw/zinc/74/24/88/523742488.db2.gz IYDNYOXCODPNGG-DEOSSOPVSA-N 2 0 444.623 4.200 50 0 IIAARP C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)[C@H]1CC12CCCC2 ZINC000012193837 524053461 /nfs/dbraw/zinc/05/34/61/524053461.db2.gz UGPSTEQOXFEYRG-AREMUKBSSA-N 2 0 437.672 4.226 50 0 IIAARP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cnc(N(C)C)s2)C[C@H]2CCCO2)CC1 ZINC000012466975 525137709 /nfs/dbraw/zinc/13/77/09/525137709.db2.gz ONFAPQSQEYXDCL-HSZRJFAPSA-N 2 0 442.673 4.411 50 0 IIAARP COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000012753243 525651103 /nfs/dbraw/zinc/65/11/03/525651103.db2.gz KQTQALWTGYNXFX-OAQYLSRUSA-N 2 0 437.628 4.393 50 0 IIAARP c1ccc(COC2CC[NH+](Cc3ccc4c(c3)C[N@H+](C3CCOCC3)CCO4)CC2)cc1 ZINC000012455588 526472497 /nfs/dbraw/zinc/47/24/97/526472497.db2.gz PKXSSBCWISWGID-UHFFFAOYSA-N 2 0 436.596 4.241 50 0 IIAARP Cc1nn(C)cc1C[N@H+](C)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2ccncc2)CC1 ZINC000012158945 527692361 /nfs/dbraw/zinc/69/23/61/527692361.db2.gz QMJDQDDZTULUDW-AREMUKBSSA-N 2 0 435.591 4.218 50 0 IIAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1)C1CC[NH+](C)CC1 ZINC000011717140 556348469 /nfs/dbraw/zinc/34/84/69/556348469.db2.gz WVIIMWNPIKIHCX-FQEVSTJZSA-N 2 0 440.657 4.355 50 0 IIAARP COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)CC1CC[NH+](C(C)C)CC1 ZINC000011842752 556366251 /nfs/dbraw/zinc/36/62/51/556366251.db2.gz PAPIQJMLIMUFAA-UHFFFAOYSA-N 2 0 447.639 4.023 50 0 IIAARP COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011949692 556380415 /nfs/dbraw/zinc/38/04/15/556380415.db2.gz XQXGIDMRYGFOHX-XMMPIXPASA-N 2 0 426.601 4.299 50 0 IIAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC[NH+](C)CC1 ZINC000012000987 556385548 /nfs/dbraw/zinc/38/55/48/556385548.db2.gz XBNUDTPCTRPKBK-GOSISDBHSA-N 2 0 425.539 4.250 50 0 IIAARP CCOc1cc(C[N@H+](C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)ccc1OC ZINC000015076832 556499568 /nfs/dbraw/zinc/49/95/68/556499568.db2.gz MJUIGYJCUBENJF-UHFFFAOYSA-N 2 0 426.601 4.489 50 0 IIAARP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000072305624 556556044 /nfs/dbraw/zinc/55/60/44/556556044.db2.gz YADUISYPQPXAMR-DLBZAZTESA-N 2 0 442.431 4.136 50 0 IIAARP CCOc1ccccc1C[N@@H+]1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000011910322 556669989 /nfs/dbraw/zinc/66/99/89/556669989.db2.gz JAKSYSAYUARDAT-FQEVSTJZSA-N 2 0 426.630 4.443 50 0 IIAARP COc1cc(C[N@H+](C)Cc2ccccc2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012457805 522357117 /nfs/dbraw/zinc/35/71/17/522357117.db2.gz OEBJTPQEBVEBPR-DEOSSOPVSA-N 2 0 426.601 4.333 50 0 IIAARP COCc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000012431369 522969700 /nfs/dbraw/zinc/96/97/00/522969700.db2.gz QDHPGEPGOTVXHU-JOCHJYFZSA-N 2 0 430.564 4.458 50 0 IIAARP COc1ccc(C[NH2+]CC2CCCCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012193240 524069591 /nfs/dbraw/zinc/06/95/91/524069591.db2.gz MWCNFXZUOKUSNG-XMMPIXPASA-N 2 0 426.601 4.237 50 0 IIAARP COc1ccc(C[NH2+]CC2CCCCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012193231 524069947 /nfs/dbraw/zinc/06/99/47/524069947.db2.gz MWCNFXZUOKUSNG-DEOSSOPVSA-N 2 0 426.601 4.237 50 0 IIAARP COc1ccc(C[NH2+]Cc2cccc(F)c2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012714021 524073396 /nfs/dbraw/zinc/07/33/96/524073396.db2.gz OXWNKXIGRPBBSD-HSZRJFAPSA-N 2 0 430.564 4.130 50 0 IIAARP CC[NH+](CC)CC(=O)Nc1ccc(Oc2ccc(NC(=O)C[NH+](CC)CC)cc2)cc1 ZINC000004990721 556025846 /nfs/dbraw/zinc/02/58/46/556025846.db2.gz YTNVBTZPJWURHB-UHFFFAOYSA-N 2 0 426.561 4.040 50 0 IIAARP COCC[NH+]1CCC(C[N@H+](Cc2c[nH]nc2-c2cc(C)ccc2C)Cc2ccncc2)CC1 ZINC000011663482 556344387 /nfs/dbraw/zinc/34/43/87/556344387.db2.gz KGYDZTCNFIFASS-UHFFFAOYSA-N 2 0 447.627 4.449 50 0 IIAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000011933934 556377307 /nfs/dbraw/zinc/37/73/07/556377307.db2.gz HMMVJUZENFRKSJ-GOSISDBHSA-N 2 0 425.539 4.250 50 0 IIAARP COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000014967664 556466032 /nfs/dbraw/zinc/46/60/32/556466032.db2.gz FXDKAGVRUBUGGU-RUZDIDTESA-N 2 0 434.580 4.165 50 0 IIAARP c1ccc2c(c1)CC([NH+]1CCC(C[N@H+](Cc3cccc4nonc43)C[C@@H]3CCCO3)CC1)C2 ZINC000015062094 556490529 /nfs/dbraw/zinc/49/05/29/556490529.db2.gz UWTGDAOLJXFMFN-VWLOTQADSA-N 2 0 446.595 4.083 50 0 IIAARP COCc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)o1 ZINC000015078082 556499933 /nfs/dbraw/zinc/49/99/33/556499933.db2.gz NFVYXIWYJMYMCB-RUZDIDTESA-N 2 0 438.612 4.286 50 0 IIAARP CCOc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1CO ZINC000011842627 556660560 /nfs/dbraw/zinc/66/05/60/556660560.db2.gz NCHZAVHPACZMCU-VWLOTQADSA-N 2 0 430.633 4.213 50 0 IIAARP COc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(OC)c1 ZINC000014991624 557836868 /nfs/dbraw/zinc/83/68/68/557836868.db2.gz CJOCVDOUGZQDJF-IBGZPJMESA-N 2 0 442.629 4.061 50 0 IIAARP COc1ccc([C@H]2c3c(n(C)c4c3[C@H](c3ccc(OC)cc3)[N@H+](C)CC4)CC[NH+]2C)cc1 ZINC000002295267 562926835 /nfs/dbraw/zinc/92/68/35/562926835.db2.gz LCCSPYUGQUDIOH-SVBPBHIXSA-N 2 0 431.580 4.197 50 0 IIAARP CC1(C)CC([NH2+]C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000007010011 569118151 /nfs/dbraw/zinc/11/81/51/569118151.db2.gz ZJOMHFUVYNCKBT-QFIPXVFZSA-N 2 0 432.555 4.331 50 0 IIAARP CC(=O)c1cccc(CN(CC[NH+](C)C)C[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC000020542353 518421300 /nfs/dbraw/zinc/42/13/00/518421300.db2.gz ZKKVCEALIMPOTL-HSZRJFAPSA-N 2 0 425.592 4.304 50 0 IIAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cnc2ccccc2c1 ZINC000012597352 521749147 /nfs/dbraw/zinc/74/91/47/521749147.db2.gz LQVSACKBRQBKKS-NRFANRHFSA-N 2 0 448.586 4.290 50 0 IIAARP COCC[N@@H+](Cc1ccc(-n2cccn2)cc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012750760 523741422 /nfs/dbraw/zinc/74/14/22/523741422.db2.gz IYDNYOXCODPNGG-XMMPIXPASA-N 2 0 444.623 4.200 50 0 IIAARP COc1ccc(C[NH2+]Cc2ccc(C)s2)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000012432586 524072724 /nfs/dbraw/zinc/07/27/24/524072724.db2.gz OZCLIJAFVZDEHS-OAQYLSRUSA-N 2 0 432.630 4.361 50 0 IIAARP Cc1cc([C@H]2C[C@H](C(=O)NCC[NH+](C)C)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716793 555866462 /nfs/dbraw/zinc/86/64/62/555866462.db2.gz PHVGGZWKGIOIJO-SFTDATJTSA-N 2 0 431.983 4.071 50 0 IIAARP Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011958636 556381154 /nfs/dbraw/zinc/38/11/54/556381154.db2.gz BOZXVPQREWTDEG-QHCPKHFHSA-N 2 0 432.568 4.257 50 0 IIAARP Cn1cc(C[N@H+](C)CCCC[NH+]2CCOCC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012074757 556397200 /nfs/dbraw/zinc/39/72/00/556397200.db2.gz KZGKJLOKJUTCIY-UHFFFAOYSA-N 2 0 434.584 4.424 50 0 IIAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2[nH]c3ccc(OC)cc3c2C)CC1 ZINC000015074977 556498848 /nfs/dbraw/zinc/49/88/48/556498848.db2.gz QRGBIAUVAZGENO-OAQYLSRUSA-N 2 0 440.632 4.078 50 0 IIAARP O[C@H]1CCC[N@H+](CCC[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000055089280 556734067 /nfs/dbraw/zinc/73/40/67/556734067.db2.gz TYRZQXBRUCMRDZ-NRFANRHFSA-N 2 0 442.966 4.268 50 0 IIAARP COCc1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000015068195 568635271 /nfs/dbraw/zinc/63/52/71/568635271.db2.gz NLVYGMMHCXWEAA-RUZDIDTESA-N 2 0 430.633 4.477 50 0 IIAARP COc1ccc(CC[N@@H+](Cc2ccc(OC(C)C)c(CO)c2)CC2CC[NH+](C)CC2)cc1 ZINC000012314789 523942206 /nfs/dbraw/zinc/94/22/06/523942206.db2.gz GKIADXZHPILRNS-UHFFFAOYSA-N 2 0 440.628 4.361 50 0 IIAARP COc1ccc(C[NH2+]CCc2ccc(C)cc2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012716472 524070988 /nfs/dbraw/zinc/07/09/88/524070988.db2.gz TUTHFUYIIKQNDJ-SANMLTNESA-N 2 0 448.607 4.208 50 0 IIAARP Fc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]2CCCO2)CC1 ZINC000012763139 526410383 /nfs/dbraw/zinc/41/03/83/526410383.db2.gz PBUJGNZPMWVERQ-QFIPXVFZSA-N 2 0 438.547 4.255 50 0 IIAARP COc1ccc(C[N@H+](C)Cc2ccncc2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011873659 556369900 /nfs/dbraw/zinc/36/99/00/556369900.db2.gz VDQJDVBCNPTFCJ-XMMPIXPASA-N 2 0 441.616 4.036 50 0 IIAARP Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011958640 556381384 /nfs/dbraw/zinc/38/13/84/556381384.db2.gz BOZXVPQREWTDEG-HSZRJFAPSA-N 2 0 432.568 4.257 50 0 IIAARP COc1ccc(C[N@H+](C)Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)c2cccnc12 ZINC000012026922 556387805 /nfs/dbraw/zinc/38/78/05/556387805.db2.gz LETQJIRRNNNTCG-HSZRJFAPSA-N 2 0 449.595 4.101 50 0 IIAARP COc1ccc(C[NH2+]Cc2ccc(C)s2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000014953517 556461205 /nfs/dbraw/zinc/46/12/05/556461205.db2.gz LBTANUXUORLXAG-QFIPXVFZSA-N 2 0 440.609 4.227 50 0 IIAARP c1ccc2c(c1)CC([NH+]1CCC(C[N@H+](Cc3ccc4nonc4c3)C[C@@H]3CCCO3)CC1)C2 ZINC000014957621 556462772 /nfs/dbraw/zinc/46/27/72/556462772.db2.gz KRGMMZFWWJRCFN-VWLOTQADSA-N 2 0 446.595 4.083 50 0 IIAARP Cc1cc(C)cc(C[NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)c1 ZINC000014975604 556468417 /nfs/dbraw/zinc/46/84/17/556468417.db2.gz VBCFFJNKDPNDRA-UHFFFAOYSA-N 2 0 444.019 4.292 50 0 IIAARP Cc1ccsc1C[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000055073687 556733891 /nfs/dbraw/zinc/73/38/91/556733891.db2.gz IKJZLYRDWYLNTB-UHFFFAOYSA-N 2 0 436.021 4.045 50 0 IIAARP CC(C)[NH2+]C1CCN(c2cc(N3CCC([NH2+]C(C)C)CC3)nc(-c3ccccc3)n2)CC1 ZINC000225539922 557738842 /nfs/dbraw/zinc/73/88/42/557738842.db2.gz QVQUXSGNTBRYBK-UHFFFAOYSA-N 2 0 436.648 4.077 50 0 IIAARP CC[NH+](CC)CCN(C)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012472281 520638886 /nfs/dbraw/zinc/63/88/86/520638886.db2.gz QCWXULNSQBZGTK-UHFFFAOYSA-N 2 0 437.628 4.186 50 0 IIAARP COc1ccc(CC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC2CC[NH+](C)CC2)cc1 ZINC000012708231 523942438 /nfs/dbraw/zinc/94/24/38/523942438.db2.gz YVLLJIUAUVGOOC-UHFFFAOYSA-N 2 0 436.575 4.407 50 0 IIAARP COc1ccc(C[N@H+](C)Cc2ncccc2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012320309 524008327 /nfs/dbraw/zinc/00/83/27/524008327.db2.gz XUXZGMLOBODKDA-QHCPKHFHSA-N 2 0 441.616 4.036 50 0 IIAARP COc1ccc(C[NH2+]CCc2ccc(C)cc2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012716475 524070980 /nfs/dbraw/zinc/07/09/80/524070980.db2.gz TUTHFUYIIKQNDJ-AREMUKBSSA-N 2 0 448.607 4.208 50 0 IIAARP COc1cc(C[N@H+](C)C(C2CC2)C2CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011703707 556347193 /nfs/dbraw/zinc/34/71/93/556347193.db2.gz PWRSJBQUKGPAJG-QHCPKHFHSA-N 2 0 430.633 4.321 50 0 IIAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccc2ncccc2c1 ZINC000011817042 556359665 /nfs/dbraw/zinc/35/96/65/556359665.db2.gz ZKVFCSHKERVGBP-OAQYLSRUSA-N 2 0 448.586 4.290 50 0 IIAARP COc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c2ccccc12 ZINC000011933164 556376839 /nfs/dbraw/zinc/37/68/39/556376839.db2.gz YSHHYWFRBSENMH-NRFANRHFSA-N 2 0 437.628 4.393 50 0 IIAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2c(OC)ccc3ccccc32)CC1 ZINC000011958436 556381073 /nfs/dbraw/zinc/38/10/73/556381073.db2.gz RHJVIXBWPAVMSI-HSZRJFAPSA-N 2 0 437.628 4.441 50 0 IIAARP COc1cc2c(cc1OC)[C@@H](CCCC[C@H]1[NH2+]CCc3cc(OC)c(OC)cc31)[NH2+]CC2 ZINC000011677656 562978969 /nfs/dbraw/zinc/97/89/69/562978969.db2.gz CYVSPLIJDCJRGR-FGZHOGPDSA-N 2 0 440.584 4.355 50 0 in-man IIAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc4c5ccccc5oc43)C[C@H]2CCO)CC1 ZINC000106724604 568837346 /nfs/dbraw/zinc/83/73/46/568837346.db2.gz FDMGCVGMIGYMIB-HSZRJFAPSA-N 2 0 435.612 4.327 50 0 IIAARP CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CC1CC[NH+](C)CC1 ZINC000012578745 522660521 /nfs/dbraw/zinc/66/05/21/522660521.db2.gz UFOZRXGRMMNVLP-UHFFFAOYSA-N 2 0 439.566 4.150 50 0 IIAARP COc1ccc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1O ZINC000020996807 524012321 /nfs/dbraw/zinc/01/23/21/524012321.db2.gz KGSZXPDVBFXVJJ-HSZRJFAPSA-N 2 0 429.649 4.343 50 0 IIAARP Cc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)s1 ZINC000012715477 524440295 /nfs/dbraw/zinc/44/02/95/524440295.db2.gz GGICYGBUQQTKCJ-UHFFFAOYSA-N 2 0 436.021 4.045 50 0 IIAARP C[C@@H]([NH2+]CCCCCC[NH2+][C@@H](C)[C@@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 ZINC000035993564 525433187 /nfs/dbraw/zinc/43/31/87/525433187.db2.gz KRHUODPDRKCWEJ-SSVHHLKVSA-N 2 0 440.584 4.183 50 0 IIAARP COc1ccc(-c2n[nH]cc2C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000011664406 556345139 /nfs/dbraw/zinc/34/51/39/556345139.db2.gz FWPLKJREQZAYRQ-UHFFFAOYSA-N 2 0 434.584 4.438 50 0 IIAARP COCC[N@@H+](Cc1cc(OC)ccc1OC)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011771081 556350138 /nfs/dbraw/zinc/35/01/38/556350138.db2.gz OBGIEODUEYKAIW-UHFFFAOYSA-N 2 0 430.564 4.204 50 0 IIAARP COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011949685 556380328 /nfs/dbraw/zinc/38/03/28/556380328.db2.gz XQXGIDMRYGFOHX-DEOSSOPVSA-N 2 0 426.601 4.299 50 0 IIAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2c(OC)ccc3ccccc32)CC1 ZINC000011958442 556381106 /nfs/dbraw/zinc/38/11/06/556381106.db2.gz RHJVIXBWPAVMSI-QHCPKHFHSA-N 2 0 437.628 4.441 50 0 IIAARP CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1 ZINC000011978083 556383406 /nfs/dbraw/zinc/38/34/06/556383406.db2.gz KKUDQGXCWDKION-OAQYLSRUSA-N 2 0 426.630 4.443 50 0 IIAARP CC(C)n1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cn1 ZINC000011999111 556385323 /nfs/dbraw/zinc/38/53/23/556385323.db2.gz DIFHPKFXTWJMOS-XMMPIXPASA-N 2 0 428.596 4.496 50 0 IIAARP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000072305627 556555991 /nfs/dbraw/zinc/55/59/91/556555991.db2.gz YADUISYPQPXAMR-SJORKVTESA-N 2 0 442.431 4.136 50 0 IIAARP C[C@H]([NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000014112742 557305180 /nfs/dbraw/zinc/30/51/80/557305180.db2.gz VZJDWRKGRFMLGB-NRFANRHFSA-N 2 0 429.564 4.475 50 0 IIAARP COc1ccc(C[NH2+]Cc2ccc(C)s2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000014980228 557602371 /nfs/dbraw/zinc/60/23/71/557602371.db2.gz DDCFHOSQWPPCIR-OAQYLSRUSA-N 2 0 432.630 4.361 50 0 IIAARP COc1cc(OC)c(OC)cc1C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012201938 522819867 /nfs/dbraw/zinc/81/98/67/522819867.db2.gz LPIRKGZACMTBOC-QHCPKHFHSA-N 2 0 446.632 4.348 50 0 IIAARP CCn1ncc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1C ZINC000012465692 523691553 /nfs/dbraw/zinc/69/15/53/523691553.db2.gz XZBLLSABPWNJAT-HHHXNRCGSA-N 2 0 436.644 4.072 50 0 IIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cnn(-c4ccccc4OC)c3)CC2)cc1 ZINC000012459265 523949513 /nfs/dbraw/zinc/94/95/13/523949513.db2.gz QAGURRJJXMOBAK-UHFFFAOYSA-N 2 0 448.611 4.276 50 0 IIAARP COc1ccc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1O ZINC000020996805 524012193 /nfs/dbraw/zinc/01/21/93/524012193.db2.gz KGSZXPDVBFXVJJ-QHCPKHFHSA-N 2 0 429.649 4.343 50 0 IIAARP C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccs1 ZINC000012533927 525410869 /nfs/dbraw/zinc/41/08/69/525410869.db2.gz UXSVFQVYIFBDJO-HXUWFJFHSA-N 2 0 434.609 4.360 50 0 IIAARP Cc1cc(C(=O)N(CCC[NH+](C)C)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c(C)o1 ZINC000012303453 526230879 /nfs/dbraw/zinc/23/08/79/526230879.db2.gz UPMMNCBMMISXNJ-UHFFFAOYSA-N 2 0 437.628 4.170 50 0 IIAARP COc1ccc(CC[N@@H+](Cc2c(OC)cc(OC)cc2OC)CC2CC[NH+](C)CC2)cc1 ZINC000011817381 556359716 /nfs/dbraw/zinc/35/97/16/556359716.db2.gz ZJNJMWNZKOUEQX-UHFFFAOYSA-N 2 0 442.600 4.108 50 0 IIAARP CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1 ZINC000011978097 556383553 /nfs/dbraw/zinc/38/35/53/556383553.db2.gz KKUDQGXCWDKION-NRFANRHFSA-N 2 0 426.630 4.443 50 0 IIAARP O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000014888592 556455861 /nfs/dbraw/zinc/45/58/61/556455861.db2.gz OVSAVFPCSWXTAE-DHIUTWEWSA-N 2 0 445.529 4.451 50 0 IIAARP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000072305626 556556060 /nfs/dbraw/zinc/55/60/60/556556060.db2.gz YADUISYPQPXAMR-IRXDYDNUSA-N 2 0 442.431 4.136 50 0 IIAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccc(Cl)cc1 ZINC000012725724 562982998 /nfs/dbraw/zinc/98/29/98/562982998.db2.gz UCIMUKXLDLVTCK-LJQANCHMSA-N 2 0 431.983 4.395 50 0 IIAARP C[N@H+](Cc1ccc(OCCNC(=O)[C@@H]2CCCC[NH+]2C)cc1)Cc1cccc2ccccc21 ZINC000299800957 568757953 /nfs/dbraw/zinc/75/79/53/568757953.db2.gz UEAYSDLOLFPWIB-MHZLTWQESA-N 2 0 445.607 4.451 50 0 IIAARP Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000020240742 569357751 /nfs/dbraw/zinc/35/77/51/569357751.db2.gz FFDCCLOKVFXHKZ-UHFFFAOYSA-N 2 0 445.007 4.118 50 0 IIAARP Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000009731825 569564721 /nfs/dbraw/zinc/56/47/21/569564721.db2.gz QHRBNNGBAVYSPX-UHFFFAOYSA-N 2 0 445.007 4.118 50 0 IIAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc4c5ccccc5oc43)C[C@@H]2CCO)CC1 ZINC000020905508 519669897 /nfs/dbraw/zinc/66/98/97/519669897.db2.gz FDMGCVGMIGYMIB-QHCPKHFHSA-N 2 0 435.612 4.327 50 0 IIAARP CC[N@@H+](Cc1cnn(-c2cccc(Cl)c2)c1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012717758 521436218 /nfs/dbraw/zinc/43/62/18/521436218.db2.gz JNJJFXXIQFDIAN-UHFFFAOYSA-N 2 0 430.040 4.154 50 0 IIAARP COc1cc(C[NH2+]CCCc2ccccc2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000012577153 522450530 /nfs/dbraw/zinc/45/05/30/522450530.db2.gz GPKRNZKWXSMVLT-DEOSSOPVSA-N 2 0 426.601 4.033 50 0 IIAARP COCc1cc(C[N@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)ccc1OC ZINC000012315935 522919607 /nfs/dbraw/zinc/91/96/07/522919607.db2.gz QYHOVEFCDLHMAO-UHFFFAOYSA-N 2 0 426.601 4.237 50 0 IIAARP COc1ccc(C[N@H+](C)Cc2ccsc2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012703875 524006405 /nfs/dbraw/zinc/00/64/05/524006405.db2.gz YWMBIIZZZGLBMV-HSZRJFAPSA-N 2 0 440.609 4.260 50 0 IIAARP COCC[N@@H+](Cc1ccc(OC)c(OC)c1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012074319 556396779 /nfs/dbraw/zinc/39/67/79/556396779.db2.gz CTEWTGOKZRNIAP-UHFFFAOYSA-N 2 0 430.564 4.204 50 0 IIAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1(c2ccccc2)CC1 ZINC000014953994 556461491 /nfs/dbraw/zinc/46/14/91/556461491.db2.gz PVBPPVHTGZJKDQ-QFIPXVFZSA-N 2 0 437.603 4.160 50 0 IIAARP COc1cc(C[NH2+]C2(c3ccccc3)CC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000014963301 556464821 /nfs/dbraw/zinc/46/48/21/556464821.db2.gz NALDOMRMMYZMHY-XMMPIXPASA-N 2 0 438.612 4.480 50 0 IIAARP COc1cc(C[NH2+]C2(c3ccccc3)CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000014963296 556465096 /nfs/dbraw/zinc/46/50/96/556465096.db2.gz NALDOMRMMYZMHY-DEOSSOPVSA-N 2 0 438.612 4.480 50 0 IIAARP C[C@@H]([NH2+]CCCCCC[NH2+][C@@H](C)[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 ZINC000016849775 556647417 /nfs/dbraw/zinc/64/74/17/556647417.db2.gz KRHUODPDRKCWEJ-RXJAJXMTSA-N 2 0 440.584 4.183 50 0 IIAARP c1cc2c(c(CN(CC[NH+]3CCCCC3)C[C@@H]3CCC[N@@H+](C4CCCC4)C3)c1)OCO2 ZINC000019733271 556876980 /nfs/dbraw/zinc/87/69/80/556876980.db2.gz HZYUKNXZFFEUQD-QFIPXVFZSA-N 2 0 427.633 4.358 50 0 IIAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccc2ccccc2n1 ZINC000015076662 568636151 /nfs/dbraw/zinc/63/61/51/568636151.db2.gz RNNKBRLICDAYKR-OAQYLSRUSA-N 2 0 448.586 4.290 50 0 IIAARP FC(F)(F)c1cccc(N2CCN(C3CC[NH+](CCOc4ccccc4)CC3)CC2)c1 ZINC000245020851 569496980 /nfs/dbraw/zinc/49/69/80/569496980.db2.gz MKEUGGVYUPLJKE-UHFFFAOYSA-N 2 0 433.518 4.371 50 0 IIAARP CCCN1CCC([N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000012385927 519844593 /nfs/dbraw/zinc/84/45/93/519844593.db2.gz RZHBAEFXTJLHNS-VWLOTQADSA-N 2 0 431.640 4.393 50 0 IIAARP COc1ccc(C[N@H+](C)Cc2ncccc2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012320310 524007872 /nfs/dbraw/zinc/00/78/72/524007872.db2.gz XUXZGMLOBODKDA-HSZRJFAPSA-N 2 0 441.616 4.036 50 0 IIAARP COc1cccc(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1OC ZINC000012217448 525939020 /nfs/dbraw/zinc/93/90/20/525939020.db2.gz OYZIODDAVVDYRU-LJQANCHMSA-N 2 0 442.629 4.061 50 0 IIAARP CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000011773450 556350542 /nfs/dbraw/zinc/35/05/42/556350542.db2.gz ZIXGOXOYWXKOKO-HSZRJFAPSA-N 2 0 441.591 4.044 50 0 IIAARP CCOc1cc(C[N@H+](CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)ccc1O ZINC000012571566 556408515 /nfs/dbraw/zinc/40/85/15/556408515.db2.gz BTZNVKVVMKIZTR-UHFFFAOYSA-N 2 0 430.564 4.291 50 0 IIAARP C[NH+](Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1)Cc1ccc2c(c1)OCO2 ZINC000015521157 556533044 /nfs/dbraw/zinc/53/30/44/556533044.db2.gz BVVRYKBRJQRNNN-UHFFFAOYSA-N 2 0 432.520 4.408 50 0 IIAARP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccccc2SC(F)F)CC1)Cc1ccccc1 ZINC000072308606 556565300 /nfs/dbraw/zinc/56/53/00/556565300.db2.gz UOKMCTWDERVKAX-UHFFFAOYSA-N 2 0 447.595 4.462 50 0 IIAARP C[NH+]1CCC(Oc2ccc(NC(=O)C3CC[NH+](Cc4ccccc4F)CC3)cc2)CC1 ZINC000067621739 556844903 /nfs/dbraw/zinc/84/49/03/556844903.db2.gz OHBABWMYGLZQGN-UHFFFAOYSA-N 2 0 425.548 4.149 50 0 IIAARP COc1ccc(C[NH2+]CCc2ccccc2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012076664 557527057 /nfs/dbraw/zinc/52/70/57/557527057.db2.gz FCCTYAQHGSLIAT-DEOSSOPVSA-N 2 0 426.601 4.033 50 0 IIAARP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000241383219 568912062 /nfs/dbraw/zinc/91/20/62/568912062.db2.gz MTJJMKWPNLBWAQ-CLJLJLNGSA-N 2 0 434.628 4.110 50 0 IIAARP Cn1cnnc1Sc1ccc(C[N@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)o1 ZINC000012590075 523274638 /nfs/dbraw/zinc/27/46/38/523274638.db2.gz JZMGBTZDQGYTKJ-UHFFFAOYSA-N 2 0 443.592 4.085 50 0 IIAARP COc1ccc(CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)CC2CC[NH+](C)CC2)cc1 ZINC000012718312 523942092 /nfs/dbraw/zinc/94/20/92/523942092.db2.gz IQICYDBVAARZEP-UHFFFAOYSA-N 2 0 432.612 4.482 50 0 IIAARP COc1cccc(OC)c1C[N@@H+]1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000012281440 526221957 /nfs/dbraw/zinc/22/19/57/526221957.db2.gz IDPHSKHLOCLGCE-LJQANCHMSA-N 2 0 442.629 4.061 50 0 IIAARP Cn1c(SCC[NH+]2CCCCC2)nnc1C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012203531 527085453 /nfs/dbraw/zinc/08/54/53/527085453.db2.gz SODGHFUMHLKQSN-DHZHZOJOSA-N 2 0 425.646 4.286 50 0 IIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000011817030 556359658 /nfs/dbraw/zinc/35/96/58/556359658.db2.gz XZFQHVMZYOGZGY-UHFFFAOYSA-N 2 0 442.600 4.108 50 0 IIAARP COc1ccc(CC[N@@H+](Cc2cc3c(cc2Cl)OCO3)CC2CC[NH+](C)CC2)cc1 ZINC000011954850 556380696 /nfs/dbraw/zinc/38/06/96/556380696.db2.gz PYWSZPAJAXJLQR-UHFFFAOYSA-N 2 0 430.976 4.464 50 0 IIAARP CCCC[C@H]1C[N@H+](CCC(=O)NC[C@@H]2CCC[NH+]3CCCC[C@H]23)Cc2ccccc2O1 ZINC000011970868 556382479 /nfs/dbraw/zinc/38/24/79/556382479.db2.gz KYMKQQSRKKHYRX-OEMFJLHTSA-N 2 0 427.633 4.211 50 0 IIAARP C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2cccc(Oc4ccccc4)c2)CC3)CC1 ZINC000012028137 556388015 /nfs/dbraw/zinc/38/80/15/556388015.db2.gz UBNUXBIWYOHUHO-RUZDIDTESA-N 2 0 433.596 4.245 50 0 IIAARP COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cc3ccccc3o2)C1 ZINC000012056889 556394574 /nfs/dbraw/zinc/39/45/74/556394574.db2.gz UUJOQRQVOHMWTE-OAQYLSRUSA-N 2 0 449.595 4.357 50 0 IIAARP COc1ccc(C[NH2+]Cc2ccc(C)s2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000014953521 556461640 /nfs/dbraw/zinc/46/16/40/556461640.db2.gz LBTANUXUORLXAG-JOCHJYFZSA-N 2 0 440.609 4.227 50 0 IIAARP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000072305625 556556118 /nfs/dbraw/zinc/55/61/18/556556118.db2.gz YADUISYPQPXAMR-IAGOWNOFSA-N 2 0 442.431 4.136 50 0 IIAARP OCCOc1ccc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000022920003 557046849 /nfs/dbraw/zinc/04/68/49/557046849.db2.gz QHCRHTOIZKXHRL-RUZDIDTESA-N 2 0 443.676 4.000 50 0 IIAARP CCOC(=O)C1(C[C@H]2CCCCO2)CC[NH+](Cc2ccc(C[NH+]3CCCC3)s2)CC1 ZINC000014950687 520463476 /nfs/dbraw/zinc/46/34/76/520463476.db2.gz YQLMGNCOBYCJTA-HXUWFJFHSA-N 2 0 434.646 4.448 50 0 IIAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012314270 521635197 /nfs/dbraw/zinc/63/51/97/521635197.db2.gz DZOLDJYSJACEEE-OAQYLSRUSA-N 2 0 425.539 4.298 50 0 IIAARP CCn1ncc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1C ZINC000012465688 523692027 /nfs/dbraw/zinc/69/20/27/523692027.db2.gz XZBLLSABPWNJAT-MHZLTWQESA-N 2 0 436.644 4.072 50 0 IIAARP COc1ccc(C[N@H+](C)Cc2cc3cc(F)ccc3[nH]2)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000012596850 524007063 /nfs/dbraw/zinc/00/70/63/524007063.db2.gz GMOKQICMMRSOGF-QFIPXVFZSA-N 2 0 443.563 4.028 50 0 IIAARP COc1ccc(C[NH2+]Cc2ccc(C)s2)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000012432585 524073060 /nfs/dbraw/zinc/07/30/60/524073060.db2.gz OZCLIJAFVZDEHS-NRFANRHFSA-N 2 0 432.630 4.361 50 0 IIAARP Cc1cccn2c(C[NH2+]CC3CC[NH+](C4CCCC4)CC3)c(C(=O)N3CCCCC3)nc12 ZINC000012317722 525467445 /nfs/dbraw/zinc/46/74/45/525467445.db2.gz OAKYUUKFIOYFNS-UHFFFAOYSA-N 2 0 437.632 4.013 50 0 IIAARP COc1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012051539 556392632 /nfs/dbraw/zinc/39/26/32/556392632.db2.gz SUDQJEZTBWPIQL-RUZDIDTESA-N 2 0 446.591 4.346 50 0 IIAARP CCOC(=O)C1(C[C@@H]2CCCCO2)CC[NH+](Cc2ccc(C[NH+]3CCCC3)s2)CC1 ZINC000014950684 556460758 /nfs/dbraw/zinc/46/07/58/556460758.db2.gz YQLMGNCOBYCJTA-FQEVSTJZSA-N 2 0 434.646 4.448 50 0 IIAARP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC[NH+](Cc4ccco4)CC3)C2)cc1 ZINC000012709362 519436704 /nfs/dbraw/zinc/43/67/04/519436704.db2.gz OASDVEJSQHPPBF-RUZDIDTESA-N 2 0 437.628 4.471 50 0 IIAARP CC[N@H+](Cc1ccncc1)Cc1ccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c(OC)c1 ZINC000012304952 521422386 /nfs/dbraw/zinc/42/23/86/521422386.db2.gz HKJKJKATYKJHTO-DEOSSOPVSA-N 2 0 441.616 4.117 50 0 IIAARP COc1cc(C[NH2+]Cc2cccc(Cl)c2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000012301938 522467853 /nfs/dbraw/zinc/46/78/53/522467853.db2.gz KRFQWGNBMLUHHM-JOCHJYFZSA-N 2 0 432.992 4.254 50 0 IIAARP COc1ccc(-n2ccnc2C[N@H+](C)CC2CC[NH+](CCc3ccccc3OC)CC2)cc1 ZINC000012304861 523338354 /nfs/dbraw/zinc/33/83/54/523338354.db2.gz LSYFYUOKDISUOE-UHFFFAOYSA-N 2 0 448.611 4.276 50 0 IIAARP C[NH+]1CCC(N2C[C@@H]3C[C@@H](c4ccc5c(c4)Cc4ccccc4-5)[N@@H+]4CCC[C@@]34C2=O)CC1 ZINC000012594693 523772161 /nfs/dbraw/zinc/77/21/61/523772161.db2.gz YRTREYNACSAJME-MCOVPRHSSA-N 2 0 427.592 4.090 50 0 IIAARP COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012922631 525243627 /nfs/dbraw/zinc/24/36/27/525243627.db2.gz CUDOVPVEVJMCET-SANMLTNESA-N 2 0 435.612 4.393 50 0 IIAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3c[nH]nc3-c3ccc(OC)cc3)CC2)cc1 ZINC000011820385 556362293 /nfs/dbraw/zinc/36/22/93/556362293.db2.gz SDTSBRFKPRHTIF-UHFFFAOYSA-N 2 0 448.611 4.480 50 0 IIAARP COc1ccc(C[N@H+](C)Cc2ccncc2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011873660 556369942 /nfs/dbraw/zinc/36/99/42/556369942.db2.gz VDQJDVBCNPTFCJ-DEOSSOPVSA-N 2 0 441.616 4.036 50 0 IIAARP C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)CCc1ccccc1 ZINC000011874010 556370381 /nfs/dbraw/zinc/37/03/81/556370381.db2.gz OTVIQYDFAXABDV-UHFFFAOYSA-N 2 0 447.667 4.279 50 0 IIAARP COc1ccc([C@@H]2c3c(n(C)c4c3[C@@H](c3ccc(OC)cc3)[N@H+](C)CC4)CC[NH+]2C)cc1 ZINC000012436723 556404526 /nfs/dbraw/zinc/40/45/26/556404526.db2.gz LCCSPYUGQUDIOH-KAYWLYCHSA-N 2 0 431.580 4.197 50 0 IIAARP COc1ccc(C[N@H+](C)Cc2ccccc2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000014975419 556468402 /nfs/dbraw/zinc/46/84/02/556468402.db2.gz KOCUTNXTNZUUFN-RUZDIDTESA-N 2 0 434.580 4.199 50 0 IIAARP CCC[NH+]1CCC(N2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000019223722 556716242 /nfs/dbraw/zinc/71/62/42/556716242.db2.gz FAMIDDLPGCYQGT-QHCPKHFHSA-N 2 0 438.582 4.166 50 0 IIAARP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058332148 556781600 /nfs/dbraw/zinc/78/16/00/556781600.db2.gz MTJJMKWPNLBWAQ-UIOOFZCWSA-N 2 0 434.628 4.110 50 0 IIAARP C[N@H+](Cc1ccc(OCCNC(=O)[C@H]2CCCC[NH+]2C)cc1)Cc1cccc2ccccc21 ZINC000299800953 568758001 /nfs/dbraw/zinc/75/80/01/568758001.db2.gz UEAYSDLOLFPWIB-HHHXNRCGSA-N 2 0 445.607 4.451 50 0 IIAARP CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C3CC[NH+](Cc4ccco4)CC3)C2)cc1 ZINC000012709368 519436915 /nfs/dbraw/zinc/43/69/15/519436915.db2.gz OASDVEJSQHPPBF-VWLOTQADSA-N 2 0 437.628 4.471 50 0 IIAARP COCC[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012758550 523752436 /nfs/dbraw/zinc/75/24/36/523752436.db2.gz RDLPWQIOKRQVNF-XMMPIXPASA-N 2 0 444.623 4.200 50 0 IIAARP COc1ccc(C[NH2+]Cc2cc(F)ccc2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011816860 556359636 /nfs/dbraw/zinc/35/96/36/556359636.db2.gz YQAAGTWBDVCENO-DEOSSOPVSA-N 2 0 444.591 4.438 50 0 IIAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CC[NH+](C)CC1 ZINC000012000982 556385586 /nfs/dbraw/zinc/38/55/86/556385586.db2.gz XBNUDTPCTRPKBK-SFHVURJKSA-N 2 0 425.539 4.250 50 0 IIAARP COc1cc(C[NH2+]Cc2ccc(C)c(F)c2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012076252 556397947 /nfs/dbraw/zinc/39/79/47/556397947.db2.gz LELUKGPZQXVLFJ-QHCPKHFHSA-N 2 0 444.591 4.437 50 0 IIAARP COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000014967660 556466072 /nfs/dbraw/zinc/46/60/72/556466072.db2.gz FXDKAGVRUBUGGU-VWLOTQADSA-N 2 0 434.580 4.165 50 0 IIAARP CCC[NH+]1CCC(N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000019223719 556716154 /nfs/dbraw/zinc/71/61/54/556716154.db2.gz FAMIDDLPGCYQGT-HSZRJFAPSA-N 2 0 438.582 4.166 50 0 IIAARP COc1ccc(C[NH2+]CCc2ccccc2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012076665 557527066 /nfs/dbraw/zinc/52/70/66/557527066.db2.gz FCCTYAQHGSLIAT-XMMPIXPASA-N 2 0 426.601 4.033 50 0 IIAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccc2ccccc2n1 ZINC000015076665 568636308 /nfs/dbraw/zinc/63/63/08/568636308.db2.gz RNNKBRLICDAYKR-NRFANRHFSA-N 2 0 448.586 4.290 50 0 IIAARP c1cc(C[NH2+]C2CCCCC2)n(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)c1 ZINC000007002041 569117480 /nfs/dbraw/zinc/11/74/80/569117480.db2.gz KNNTVPDXHOJFHE-UHFFFAOYSA-N 2 0 428.650 4.206 50 0 IIAARP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000252522977 569189593 /nfs/dbraw/zinc/18/95/93/569189593.db2.gz BOLHZOHEUOVICL-WIIGKZCBSA-N 3 0 447.667 4.424 50 0 IIAARP CC(C)[NH+]1CCC(N2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000020777439 519670296 /nfs/dbraw/zinc/67/02/96/519670296.db2.gz WHNYRJMWXVIQHO-HSZRJFAPSA-N 2 0 438.582 4.165 50 0 IIAARP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012594674 523116242 /nfs/dbraw/zinc/11/62/42/523116242.db2.gz YOVWNJUSEWGOPL-DEOSSOPVSA-N 2 0 449.639 4.186 50 0 IIAARP COCC[N@@H+](Cc1c[nH]nc1-c1ccccc1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012304899 523740360 /nfs/dbraw/zinc/74/03/60/523740360.db2.gz WIBUSJVUNAXXDQ-UHFFFAOYSA-N 2 0 448.611 4.446 50 0 IIAARP Cc1ccsc1C(=O)N(CCC[NH+](C)C)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012588406 525816648 /nfs/dbraw/zinc/81/66/48/525816648.db2.gz SQRVDOKSOOYOJC-UHFFFAOYSA-N 2 0 439.669 4.330 50 0 IIAARP COc1cccc(OC)c1C[N@@H+]1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000012281441 526222553 /nfs/dbraw/zinc/22/25/53/526222553.db2.gz IDPHSKHLOCLGCE-IBGZPJMESA-N 2 0 442.629 4.061 50 0 IIAARP Cc1cc([C@@H]2C[C@H](C(=O)NCC[NH+](C)C)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716792 555865996 /nfs/dbraw/zinc/86/59/96/555865996.db2.gz PHVGGZWKGIOIJO-RTWAWAEBSA-N 2 0 431.983 4.071 50 0 IIAARP COc1cc(C[N@H+](C)C(C2CC2)C2CC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011703694 556347338 /nfs/dbraw/zinc/34/73/38/556347338.db2.gz PWRSJBQUKGPAJG-HSZRJFAPSA-N 2 0 430.633 4.321 50 0 IIAARP COc1cc(C[NH2+]Cc2cc(F)ccc2C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011841520 556365524 /nfs/dbraw/zinc/36/55/24/556365524.db2.gz OUDWWNXBZOYCJF-XMMPIXPASA-N 2 0 444.591 4.437 50 0 IIAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)CCc1ccccc1 ZINC000011879502 556371689 /nfs/dbraw/zinc/37/16/89/556371689.db2.gz BWMJXJRGKIIERS-HSZRJFAPSA-N 2 0 425.592 4.061 50 0 IIAARP COc1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc(OC)c1OC ZINC000014962614 556464528 /nfs/dbraw/zinc/46/45/28/556464528.db2.gz PDXRPHNYSGPRGI-HSZRJFAPSA-N 2 0 446.632 4.348 50 0 IIAARP c1ccc2c(c1)CC([NH+]1CCC(C[N@H+](Cc3cccc4nonc43)C[C@H]3CCCO3)CC1)C2 ZINC000015062093 556490726 /nfs/dbraw/zinc/49/07/26/556490726.db2.gz UWTGDAOLJXFMFN-RUZDIDTESA-N 2 0 446.595 4.083 50 0 IIAARP O[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000055089283 556733923 /nfs/dbraw/zinc/73/39/23/556733923.db2.gz TYRZQXBRUCMRDZ-OAQYLSRUSA-N 2 0 442.966 4.268 50 0 IIAARP