smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCCCN1C1CN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000426369942 231209034 /nfs/dbraw/zinc/20/90/34/231209034.db2.gz MZVBLRUWKBXPAF-LJQANCHMSA-N 1 3 384.568 3.167 50 0 GGAAHO COc1ccc(CNCc2ccccc2C)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011997842 204366495 /nfs/dbraw/zinc/36/64/95/204366495.db2.gz NCBSEBNKWQPEOA-OAQYLSRUSA-N 1 3 386.536 3.373 50 0 GGAAHO COc1ccc(CNCc2ccccc2C)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000011997842 204366497 /nfs/dbraw/zinc/36/64/97/204366497.db2.gz NCBSEBNKWQPEOA-OAQYLSRUSA-N 1 3 386.536 3.373 50 0 GGAAHO CCOCCCNCc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012052604 204368232 /nfs/dbraw/zinc/36/82/32/204368232.db2.gz VZHJYXDIACOAJT-NRFANRHFSA-N 1 3 378.557 3.207 50 0 GGAAHO CCOCCCNCc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012052604 204368237 /nfs/dbraw/zinc/36/82/37/204368237.db2.gz VZHJYXDIACOAJT-NRFANRHFSA-N 1 3 378.557 3.207 50 0 GGAAHO C[N@H+](C[C@@H](O)COc1ccccc1CNCCc1cccnc1)C1CCCCC1 ZINC000012205424 204382442 /nfs/dbraw/zinc/38/24/42/204382442.db2.gz HWBLTWUAFKBBDG-HSZRJFAPSA-N 1 3 397.563 3.418 50 0 GGAAHO C[N@@H+](C[C@@H](O)COc1ccccc1CNCCc1cccnc1)C1CCCCC1 ZINC000012205424 204382444 /nfs/dbraw/zinc/38/24/44/204382444.db2.gz HWBLTWUAFKBBDG-HSZRJFAPSA-N 1 3 397.563 3.418 50 0 GGAAHO O=C(NC[C@H]1CCCN(Cc2cc(C[NH+]3CCCC3)cs2)C1)c1cccnc1 ZINC000012201670 204382552 /nfs/dbraw/zinc/38/25/52/204382552.db2.gz XNKSGCMOXJRGTC-GOSISDBHSA-N 1 3 398.576 3.381 50 0 GGAAHO COc1ccc(CNCc2ccc(C)s2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012210468 204384603 /nfs/dbraw/zinc/38/46/03/204384603.db2.gz HEIGSLIIMUVORG-SFHVURJKSA-N 1 3 392.565 3.435 50 0 GGAAHO COc1ccc(CNCc2ccc(C)s2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012210468 204384607 /nfs/dbraw/zinc/38/46/07/204384607.db2.gz HEIGSLIIMUVORG-SFHVURJKSA-N 1 3 392.565 3.435 50 0 GGAAHO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(C3CCCCC3)CC2)C1 ZINC000012302067 204390618 /nfs/dbraw/zinc/39/06/18/204390618.db2.gz RRYKISZPMPCJHC-LJQANCHMSA-N 1 3 384.568 3.207 50 0 GGAAHO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(C3CCCCC3)CC2)C1 ZINC000012302067 204390622 /nfs/dbraw/zinc/39/06/22/204390622.db2.gz RRYKISZPMPCJHC-LJQANCHMSA-N 1 3 384.568 3.207 50 0 GGAAHO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CNCc2cccnc2)cc1 ZINC000012297317 204391842 /nfs/dbraw/zinc/39/18/42/204391842.db2.gz XDEBFMTYUAKLPR-HSZRJFAPSA-N 1 3 391.515 3.243 50 0 GGAAHO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CNCc2cccnc2)cc1 ZINC000012297317 204391844 /nfs/dbraw/zinc/39/18/44/204391844.db2.gz XDEBFMTYUAKLPR-HSZRJFAPSA-N 1 3 391.515 3.243 50 0 GGAAHO CC[NH+](CC)C[C@H](O)COc1cc(CNCc2ccc(C)s2)ccc1OC ZINC000012316089 204396555 /nfs/dbraw/zinc/39/65/55/204396555.db2.gz QYLOPIJTEBBMFZ-SFHVURJKSA-N 1 3 392.565 3.436 50 0 GGAAHO COc1ccc(C[NH2+]CCc2ccccc2)cc1OC[C@H](O)CN1CCCCC1 ZINC000012715463 204437139 /nfs/dbraw/zinc/43/71/39/204437139.db2.gz QNKLNDXFLURJKT-JOCHJYFZSA-N 1 3 398.547 3.253 50 0 GGAAHO Cc1ccc(N2C(=O)C[C@H](NCC3CC[NH+](Cc4cccs4)CC3)C2=O)cc1 ZINC000018220195 204620275 /nfs/dbraw/zinc/62/02/75/204620275.db2.gz NFVRFWTVWBNJJY-FQEVSTJZSA-N 1 3 397.544 3.190 50 0 GGAAHO O=C(NCCCN1CCc2ccccc2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057169150 205154387 /nfs/dbraw/zinc/15/43/87/205154387.db2.gz WLHZYBNGXXBXLO-UHFFFAOYSA-N 1 3 391.559 3.463 50 0 GGAAHO Cc1c[nH+]ccc1N1CCCN(C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000067490665 205248783 /nfs/dbraw/zinc/24/87/83/205248783.db2.gz VTIKXWSDWUXNMQ-UHFFFAOYSA-N 1 3 378.520 3.207 50 0 GGAAHO CC(C)=CCC[NH+]1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071388568 205284433 /nfs/dbraw/zinc/28/44/33/205284433.db2.gz VRVQVDRLULAAAE-FQEVSTJZSA-N 1 3 384.568 3.231 50 0 GGAAHO O=C([C@@H]1CCCN(C2CC[NH+](CCCc3ccccc3)CC2)C1)N1CCCC1 ZINC000071712238 205287936 /nfs/dbraw/zinc/28/79/36/205287936.db2.gz WNNWJMNFRCRJKE-JOCHJYFZSA-N 1 3 383.580 3.418 50 0 GGAAHO CCN(C(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)C1CC1 ZINC000071776929 205297478 /nfs/dbraw/zinc/29/74/78/205297478.db2.gz YHHMSOARZQCYNN-OAQYLSRUSA-N 1 3 395.591 3.341 50 0 GGAAHO CN1CCC(Oc2ccccc2NC(=O)c2ccccc2[C@@H]2CC[NH2+]C2)CC1 ZINC000072156173 205313079 /nfs/dbraw/zinc/31/30/79/205313079.db2.gz ABTBKZXAYNDXMM-QGZVFWFLSA-N 1 3 379.504 3.489 50 0 GGAAHO Cn1c(CN2CCCCCC2)cc(=O)c(O)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000079478955 205382205 /nfs/dbraw/zinc/38/22/05/205382205.db2.gz GICYDVWKBALANL-FQEVSTJZSA-N 1 3 395.547 3.456 50 0 GGAAHO Cn1c(CN2CCCCCC2)cc(=O)c(O)c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000079478955 205382210 /nfs/dbraw/zinc/38/22/10/205382210.db2.gz GICYDVWKBALANL-FQEVSTJZSA-N 1 3 395.547 3.456 50 0 GGAAHO Cc1c2cc(C)ccc2[nH]c1C[NH+]1CCC(CCC(=O)NCCN(C)C)CC1 ZINC000012073440 221146771 /nfs/dbraw/zinc/14/67/71/221146771.db2.gz SMMSZWNAPOJSGF-UHFFFAOYSA-N 1 3 384.568 3.455 50 0 GGAAHO Cc1ccc(CN2CCC3(CC2)CC[N@@H+](C2CCOCC2)C[C@@H]3CO)s1 ZINC000097294845 570241167 /nfs/dbraw/zinc/24/11/67/570241167.db2.gz NHUKUOFJOGTQBJ-GOSISDBHSA-N 1 3 378.582 3.132 50 0 GGAAHO Cc1ccc(CN2CCC3(CC2)CC[N@H+](C2CCOCC2)C[C@@H]3CO)s1 ZINC000097294845 570241172 /nfs/dbraw/zinc/24/11/72/570241172.db2.gz NHUKUOFJOGTQBJ-GOSISDBHSA-N 1 3 378.582 3.132 50 0 GGAAHO CC(C)(C)NC(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020209676 570248163 /nfs/dbraw/zinc/24/81/63/570248163.db2.gz NYANWAWWQJLGTA-FQEVSTJZSA-N 1 3 383.580 3.245 50 0 GGAAHO CC(C)CCN1CCN(C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1CCO ZINC000104629241 570260185 /nfs/dbraw/zinc/26/01/85/570260185.db2.gz UMKAKLZTCBLTPF-XMMPIXPASA-N 1 3 387.612 3.108 50 0 GGAAHO Cc1ccc(C)c(OCCN(C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)c1 ZINC000020600898 570269934 /nfs/dbraw/zinc/26/99/34/570269934.db2.gz BHGGPYJYFSHSLT-PKTZIBPZSA-N 1 3 380.532 3.351 50 0 GGAAHO CCOC(=O)N1CCC([N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)CC1 ZINC000012372795 570648077 /nfs/dbraw/zinc/64/80/77/570648077.db2.gz RCORGCYKLBZNJS-UHFFFAOYSA-N 1 3 377.529 3.353 50 0 GGAAHO CCOC(=O)N1CCC([N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)CC1 ZINC000012372795 570648080 /nfs/dbraw/zinc/64/80/80/570648080.db2.gz RCORGCYKLBZNJS-UHFFFAOYSA-N 1 3 377.529 3.353 50 0 GGAAHO CN(C)[C@@H]1CCN(C(=O)c2cccc(OC3CC[NH+](C4CCCC4)CC3)c2)C1 ZINC000012373238 570648782 /nfs/dbraw/zinc/64/87/82/570648782.db2.gz UINDBBLELPTNRL-HXUWFJFHSA-N 1 3 385.552 3.249 50 0 GGAAHO CC[C@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000012440909 570664415 /nfs/dbraw/zinc/66/44/15/570664415.db2.gz IKACTZRJXREWJK-HNNXBMFYSA-N 1 3 381.948 3.273 50 0 GGAAHO COc1ccccc1CN1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2ccco2)C1 ZINC000012459583 570670665 /nfs/dbraw/zinc/67/06/65/570670665.db2.gz OCESGUICDMNVLH-LJQANCHMSA-N 1 3 399.535 3.204 50 0 GGAAHO COc1ccccc1CN1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2ccco2)C1 ZINC000012459584 570670777 /nfs/dbraw/zinc/67/07/77/570670777.db2.gz OCESGUICDMNVLH-IBGZPJMESA-N 1 3 399.535 3.204 50 0 GGAAHO CCCCNC(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000012465600 570671586 /nfs/dbraw/zinc/67/15/86/570671586.db2.gz VGFCMMZZEZPTBP-NRFANRHFSA-N 1 3 383.580 3.247 50 0 GGAAHO C[C@@H](CC1CC1)[NH+]1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000015069261 570876620 /nfs/dbraw/zinc/87/66/20/570876620.db2.gz AXFFZEYPZSOAKV-SFHVURJKSA-N 1 3 387.568 3.352 50 0 GGAAHO C[C@H](CC1CC1)[NH+]1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000015069263 570876714 /nfs/dbraw/zinc/87/67/14/570876714.db2.gz AXFFZEYPZSOAKV-GOSISDBHSA-N 1 3 387.568 3.352 50 0 GGAAHO Cn1cc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000019224443 570964089 /nfs/dbraw/zinc/96/40/89/570964089.db2.gz SRKUVUXTFZJBJM-NRFANRHFSA-N 1 3 387.616 3.363 50 0 GGAAHO Cn1cc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC000019224443 570964093 /nfs/dbraw/zinc/96/40/93/570964093.db2.gz SRKUVUXTFZJBJM-NRFANRHFSA-N 1 3 387.616 3.363 50 0 GGAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CNCc2cccc(F)c2)ccc1OC ZINC000012712612 570967487 /nfs/dbraw/zinc/96/74/87/570967487.db2.gz NGUIZGTWLCFWIF-HXUWFJFHSA-N 1 3 390.499 3.206 50 0 GGAAHO COc1ccc(/C=C/C[NH+]2CCC3(CCC(=O)N([C@@H]4CCN(C)C4)C3)CC2)cc1 ZINC000095500499 571076118 /nfs/dbraw/zinc/07/61/18/571076118.db2.gz IPJUIBJDUIRYTB-YEFOHOTDSA-N 1 3 397.563 3.117 50 0 GGAAHO O[C@@H](COc1cccc(C[NH+]2CCC(F)CC2)c1)CN1CCc2ccccc2C1 ZINC000095510078 571081505 /nfs/dbraw/zinc/08/15/05/571081505.db2.gz SQSMICTUQJFAIW-HSZRJFAPSA-N 1 3 398.522 3.419 50 0 GGAAHO CN(C)CCNC(=O)c1ccc(OC2CC[NH+](CC3CCC3)CC2)c(Cl)c1 ZINC000095510545 571082072 /nfs/dbraw/zinc/08/20/72/571082072.db2.gz QGOYMPVFHQWJPZ-UHFFFAOYSA-N 1 3 393.959 3.275 50 0 GGAAHO CC[NH+](CC)C[C@H](O)COc1cc(CN2CCC(C)(C)CC2)ccc1OC ZINC000095516892 571084286 /nfs/dbraw/zinc/08/42/86/571084286.db2.gz OQWKAJTZXDWUAQ-IBGZPJMESA-N 1 3 378.557 3.399 50 0 GGAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cc[nH]c1 ZINC000095524056 571089764 /nfs/dbraw/zinc/08/97/64/571089764.db2.gz HPZNIKKZOWTSIF-SFHVURJKSA-N 1 3 386.515 3.070 50 0 GGAAHO COc1ccc(CN2CCC(C)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095525868 571090690 /nfs/dbraw/zinc/09/06/90/571090690.db2.gz PIKJILFXYHDWOI-FQEVSTJZSA-N 1 3 376.541 3.153 50 0 GGAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[N@H+](C)C2CCOCC2)cc1 ZINC000095528901 571092030 /nfs/dbraw/zinc/09/20/30/571092030.db2.gz DQZHNZHFVAJOQJ-HSZRJFAPSA-N 1 3 398.547 3.169 50 0 GGAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[N@@H+](C)C2CCOCC2)cc1 ZINC000095528901 571092031 /nfs/dbraw/zinc/09/20/31/571092031.db2.gz DQZHNZHFVAJOQJ-HSZRJFAPSA-N 1 3 398.547 3.169 50 0 GGAAHO COC1CCN(Cc2ccccc2OC[C@H](O)C[N@H+](C)C2CCCCC2)CC1 ZINC000012002251 1399023683 /nfs/dbraw/zinc/02/36/83/1399023683.db2.gz KRUBIYVZMVERSA-OAQYLSRUSA-N 1 3 390.568 3.302 50 0 GGAAHO COC1CCN(Cc2ccccc2OC[C@H](O)C[N@@H+](C)C2CCCCC2)CC1 ZINC000012002251 1399023685 /nfs/dbraw/zinc/02/36/85/1399023685.db2.gz KRUBIYVZMVERSA-OAQYLSRUSA-N 1 3 390.568 3.302 50 0 GGAAHO CSCC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012092682 1399028237 /nfs/dbraw/zinc/02/82/37/1399028237.db2.gz KLKIRGZTNMMSMN-IBGZPJMESA-N 1 3 381.630 3.319 50 0 GGAAHO CSCC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012092682 1399028242 /nfs/dbraw/zinc/02/82/42/1399028242.db2.gz KLKIRGZTNMMSMN-IBGZPJMESA-N 1 3 381.630 3.319 50 0 GGAAHO CCc1ccc(CN2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)o1 ZINC000012112012 1399030142 /nfs/dbraw/zinc/03/01/42/1399030142.db2.gz QJSIBTGBQYOQAE-GOSISDBHSA-N 1 3 375.557 3.387 50 0 GGAAHO COc1cc(CNCc2cccc(C)c2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012594062 1399049866 /nfs/dbraw/zinc/04/98/66/1399049866.db2.gz KMWOIERZACKHFN-NRFANRHFSA-N 1 3 384.520 3.129 50 0 GGAAHO O[C@@H](COc1ccc(C[NH+]2CCCCC2)cc1)CN1CCc2ccccc2C1 ZINC000014966140 1399129580 /nfs/dbraw/zinc/12/95/80/1399129580.db2.gz NQUQJHOLYFIEMP-HSZRJFAPSA-N 1 3 380.532 3.471 50 0 GGAAHO O[C@H](COc1ccc(C[NH+]2CCCCC2)cc1)CN1CCc2ccccc2C1 ZINC000014966145 1399129686 /nfs/dbraw/zinc/12/96/86/1399129686.db2.gz NQUQJHOLYFIEMP-QHCPKHFHSA-N 1 3 380.532 3.471 50 0 GGAAHO CCN1CCCC[C@@H]1C(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000014980437 1399129829 /nfs/dbraw/zinc/12/98/29/1399129829.db2.gz QAWLUHYNTQPHMK-JOCHJYFZSA-N 1 3 389.559 3.413 50 0 GGAAHO Cc1ncc2c(c1-c1noc([C@@H]3CCCN(Cc4ccco4)C3)n1)CC[NH2+]C2 ZINC000019301116 1399329159 /nfs/dbraw/zinc/32/91/59/1399329159.db2.gz BNGWONYIOPJRRB-OAHLLOKOSA-N 1 3 379.464 3.058 50 0 GGAAHO Cn1cccc1CN1CCC2(CC1)c1ccccc1[C@@H]([N@H+]1CC=CCC1)[C@@H]2O ZINC000020450107 1399346485 /nfs/dbraw/zinc/34/64/85/1399346485.db2.gz VXHGQRKESPGLGM-PKTZIBPZSA-N 1 3 377.532 3.236 50 0 GGAAHO Cn1cccc1CN1CCC2(CC1)c1ccccc1[C@@H]([N@@H+]1CC=CCC1)[C@@H]2O ZINC000020450107 1399346490 /nfs/dbraw/zinc/34/64/90/1399346490.db2.gz VXHGQRKESPGLGM-PKTZIBPZSA-N 1 3 377.532 3.236 50 0 GGAAHO CC(C)CN1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@H]1CCO ZINC000104533838 1410899134 /nfs/dbraw/zinc/89/91/34/1410899134.db2.gz QVTBXNXASSAIRN-LJQANCHMSA-N 1 3 379.614 3.259 50 0 GGAAHO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(CC3CCCCC3)CC2)CC1 ZINC000012206541 206869335 /nfs/dbraw/zinc/86/93/35/206869335.db2.gz XSOZHRYPSFWOGF-UHFFFAOYSA-N 1 3 398.595 3.455 50 0 GGAAHO COc1ccc(C[NH2+]CC2CC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000015072578 207044081 /nfs/dbraw/zinc/04/40/81/207044081.db2.gz YMBBXGALHPJVBB-OAQYLSRUSA-N 1 3 384.520 3.067 50 0 GGAAHO CC(C)CCN1CCN(Cc2ccc(C[NH+]3CCCC3)s2)C[C@@H]1CCO ZINC000019744284 207157630 /nfs/dbraw/zinc/15/76/30/207157630.db2.gz RBMNDXYGGMWDPI-IBGZPJMESA-N 1 3 379.614 3.259 50 0 GGAAHO Cc1ccccc1OCCCN(C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000020782963 207215234 /nfs/dbraw/zinc/21/52/34/207215234.db2.gz VKLZPQABKLUVHB-PKTZIBPZSA-N 1 3 380.532 3.433 50 0 GGAAHO c1cn(CC[N@@H+]2CCC[C@@H](c3ccccc3)C2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072424994 208023043 /nfs/dbraw/zinc/02/30/43/208023043.db2.gz KNFTUMZHPFTSAW-HXUWFJFHSA-N 1 3 390.535 3.120 50 0 GGAAHO c1cn(CC[N@H+]2CCC[C@@H](c3ccccc3)C2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072424994 208023050 /nfs/dbraw/zinc/02/30/50/208023050.db2.gz KNFTUMZHPFTSAW-HXUWFJFHSA-N 1 3 390.535 3.120 50 0 GGAAHO CCCN1CC2(C[C@@H]1C(=O)NC(C)(C)Cc1ccc(F)cc1)CC[NH+](C)CC2 ZINC000072473342 208029485 /nfs/dbraw/zinc/02/94/85/208029485.db2.gz ZLFFCLOQSZAFGX-HXUWFJFHSA-N 1 3 389.559 3.459 50 0 GGAAHO CCCN1CC2(C[C@H]1C(=O)NC(C)(C)Cc1ccc(F)cc1)CC[NH+](C)CC2 ZINC000072473343 208029602 /nfs/dbraw/zinc/02/96/02/208029602.db2.gz ZLFFCLOQSZAFGX-FQEVSTJZSA-N 1 3 389.559 3.459 50 0 GGAAHO CCCN1CC2(C[C@H]1C(=O)NCCc1ccc(Cl)cc1)CC[NH+](C)CC2 ZINC000072476171 208031636 /nfs/dbraw/zinc/03/16/36/208031636.db2.gz BVIOWIOAAXJWGX-IBGZPJMESA-N 1 3 377.960 3.195 50 0 GGAAHO CN(CC1CC1)C(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091644008 208129112 /nfs/dbraw/zinc/12/91/12/208129112.db2.gz FXKQZVXFRALJGO-JOCHJYFZSA-N 1 3 395.591 3.199 50 0 GGAAHO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(C3CCCCC3)s1)CC2 ZINC000091846115 208138310 /nfs/dbraw/zinc/13/83/10/208138310.db2.gz BZIXAENGVWTRQI-UXHICEINSA-N 1 3 378.582 3.487 50 0 GGAAHO O=C(CN1CCCC1)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095366408 208163780 /nfs/dbraw/zinc/16/37/80/208163780.db2.gz DBWJLDBMYXFZHZ-NRFANRHFSA-N 1 3 381.564 3.343 50 0 GGAAHO O=C(CN1CCCC1)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095366408 208163784 /nfs/dbraw/zinc/16/37/84/208163784.db2.gz DBWJLDBMYXFZHZ-NRFANRHFSA-N 1 3 381.564 3.343 50 0 GGAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CN2CCC(C)(C)CC2)ccc1OC ZINC000095516893 208216214 /nfs/dbraw/zinc/21/62/14/208216214.db2.gz OQWKAJTZXDWUAQ-LJQANCHMSA-N 1 3 378.557 3.399 50 0 GGAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cc[nH]c1 ZINC000095524055 208223931 /nfs/dbraw/zinc/22/39/31/208223931.db2.gz HPZNIKKZOWTSIF-GOSISDBHSA-N 1 3 386.515 3.070 50 0 GGAAHO O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000299776256 209087415 /nfs/dbraw/zinc/08/74/15/209087415.db2.gz MNTWVOUIMWZXRQ-QHCPKHFHSA-N 1 3 375.516 3.165 50 0 GGAAHO O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000299776256 209087417 /nfs/dbraw/zinc/08/74/17/209087417.db2.gz MNTWVOUIMWZXRQ-QHCPKHFHSA-N 1 3 375.516 3.165 50 0 GGAAHO COc1ccc(C[NH2+]C2CCCCCC2)cc1OC[C@H](O)CN1CCCC1 ZINC000015062333 221327907 /nfs/dbraw/zinc/32/79/07/221327907.db2.gz RUMCFVOXWOTRMM-HXUWFJFHSA-N 1 3 376.541 3.343 50 0 GGAAHO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(C3CCCCC3)CC2)CC1 ZINC000011820692 570586188 /nfs/dbraw/zinc/58/61/88/570586188.db2.gz QIOGPXITKJJUOQ-UHFFFAOYSA-N 1 3 384.568 3.207 50 0 GGAAHO CCCN1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000011879697 570590933 /nfs/dbraw/zinc/59/09/33/570590933.db2.gz CCBHAXJKJKVFAA-KRWDZBQOSA-N 1 3 383.458 3.270 50 0 GGAAHO C[NH+](C)CCCOc1cccc(CN2CCC[C@H](CCC(=O)NC3CC3)C2)c1 ZINC000039552051 570593286 /nfs/dbraw/zinc/59/32/86/570593286.db2.gz LMLNCEFVAGSUOW-LJQANCHMSA-N 1 3 387.568 3.288 50 0 GGAAHO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(CC3CCCC3)CC2)CC1 ZINC000011938149 570594842 /nfs/dbraw/zinc/59/48/42/570594842.db2.gz BXYSONGUUKCPGP-UHFFFAOYSA-N 1 3 384.568 3.064 50 0 GGAAHO COc1ccc(CNCc2ccccc2C)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011997838 570597461 /nfs/dbraw/zinc/59/74/61/570597461.db2.gz NCBSEBNKWQPEOA-NRFANRHFSA-N 1 3 386.536 3.373 50 0 GGAAHO COc1ccc(CNCc2ccccc2C)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000011997838 570597463 /nfs/dbraw/zinc/59/74/63/570597463.db2.gz NCBSEBNKWQPEOA-NRFANRHFSA-N 1 3 386.536 3.373 50 0 GGAAHO CN(C)[C@H]1CCN(C(=O)c2cccc(OC3CC[NH+](C4CCCC4)CC3)c2)C1 ZINC000012373239 570648651 /nfs/dbraw/zinc/64/86/51/570648651.db2.gz UINDBBLELPTNRL-FQEVSTJZSA-N 1 3 385.552 3.249 50 0 GGAAHO COc1ccc(C[NH2+]C2CCC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012442702 570664958 /nfs/dbraw/zinc/66/49/58/570664958.db2.gz JRKGCYZJKOFRML-OAQYLSRUSA-N 1 3 384.520 3.209 50 0 GGAAHO COc1ccc(C[NH2+]C2CCC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012442700 570665066 /nfs/dbraw/zinc/66/50/66/570665066.db2.gz JRKGCYZJKOFRML-NRFANRHFSA-N 1 3 384.520 3.209 50 0 GGAAHO CCOCCC[NH2+]Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 ZINC000012457981 570669685 /nfs/dbraw/zinc/66/96/85/570669685.db2.gz VONAYUUDUFKBMZ-JOCHJYFZSA-N 1 3 386.536 3.075 50 0 GGAAHO COc1cc(CNCc2ccc(C)s2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012477969 570674148 /nfs/dbraw/zinc/67/41/48/570674148.db2.gz OSYWHXWFYYHYNA-GOSISDBHSA-N 1 3 392.565 3.435 50 0 GGAAHO COc1cc(CNCc2ccc(C)s2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012477969 570674149 /nfs/dbraw/zinc/67/41/49/570674149.db2.gz OSYWHXWFYYHYNA-GOSISDBHSA-N 1 3 392.565 3.435 50 0 GGAAHO COc1ccc(C[N@H+](C)CCC(C)C)cc1OC[C@@H](O)CN1CCCCC1 ZINC000012713867 570703706 /nfs/dbraw/zinc/70/37/06/570703706.db2.gz AXKWOBOLDZIHLP-FQEVSTJZSA-N 1 3 378.557 3.399 50 0 GGAAHO COc1ccc(C[N@@H+](C)CCC(C)C)cc1OC[C@@H](O)CN1CCCCC1 ZINC000012713867 570703710 /nfs/dbraw/zinc/70/37/10/570703710.db2.gz AXKWOBOLDZIHLP-FQEVSTJZSA-N 1 3 378.557 3.399 50 0 GGAAHO COc1ccc(C[NH2+]CCc2ccccc2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000012715458 570704308 /nfs/dbraw/zinc/70/43/08/570704308.db2.gz QNKLNDXFLURJKT-QFIPXVFZSA-N 1 3 398.547 3.253 50 0 GGAAHO COc1ccc(C(=O)NCCCN(C)CCC[N@H+](C)Cc2ccccc2)cc1 ZINC000059181906 570736896 /nfs/dbraw/zinc/73/68/96/570736896.db2.gz PWWWODXDZIFLEF-UHFFFAOYSA-N 1 3 383.536 3.269 50 0 GGAAHO COc1ccc(C(=O)NCCCN(C)CCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000059181906 570736900 /nfs/dbraw/zinc/73/69/00/570736900.db2.gz PWWWODXDZIFLEF-UHFFFAOYSA-N 1 3 383.536 3.269 50 0 GGAAHO CCC1(NC(=O)[C@@H]2CCCN(C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000071721643 570844128 /nfs/dbraw/zinc/84/41/28/570844128.db2.gz FFGCAVAKGSDHJG-OAQYLSRUSA-N 1 3 383.580 3.464 50 0 GGAAHO CCCN(C)C(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071721463 570844177 /nfs/dbraw/zinc/84/41/77/570844177.db2.gz YKAMYWXCEPFAOI-OAQYLSRUSA-N 1 3 383.580 3.199 50 0 GGAAHO CC(C)=CCC[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071763865 570850788 /nfs/dbraw/zinc/85/07/88/570850788.db2.gz KSUUNHQQWAPISX-OAQYLSRUSA-N 1 3 384.568 3.231 50 0 GGAAHO CCN(C(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)C1CC1 ZINC000071776931 570853409 /nfs/dbraw/zinc/85/34/09/570853409.db2.gz YHHMSOARZQCYNN-NRFANRHFSA-N 1 3 395.591 3.341 50 0 GGAAHO O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000072171359 570877480 /nfs/dbraw/zinc/87/74/80/570877480.db2.gz KUXQJUXSQIIICU-OAQYLSRUSA-N 1 3 389.543 3.079 50 0 GGAAHO Cc1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CCCN(C)C)C2)c2ccc(F)cc2n1 ZINC000072173725 570877558 /nfs/dbraw/zinc/87/75/58/570877558.db2.gz UNXBHIPNMMHKCI-GOSISDBHSA-N 1 3 386.515 3.170 50 0 GGAAHO Cc1cc(C(=O)N2CCC[C@@H]([N@H+](C)CCCN(C)C)C2)c2ccc(F)cc2n1 ZINC000072173725 570877559 /nfs/dbraw/zinc/87/75/59/570877559.db2.gz UNXBHIPNMMHKCI-GOSISDBHSA-N 1 3 386.515 3.170 50 0 GGAAHO Cc1cc(C(=O)N2CCC[C@H]([N@@H+](C)CCCN(C)C)C2)c2ccc(F)cc2n1 ZINC000072173724 570877581 /nfs/dbraw/zinc/87/75/81/570877581.db2.gz UNXBHIPNMMHKCI-SFHVURJKSA-N 1 3 386.515 3.170 50 0 GGAAHO Cc1cc(C(=O)N2CCC[C@H]([N@H+](C)CCCN(C)C)C2)c2ccc(F)cc2n1 ZINC000072173724 570877582 /nfs/dbraw/zinc/87/75/82/570877582.db2.gz UNXBHIPNMMHKCI-SFHVURJKSA-N 1 3 386.515 3.170 50 0 GGAAHO OCc1ccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000012298669 1399036624 /nfs/dbraw/zinc/03/66/24/1399036624.db2.gz NZFDUYQVLLQNIT-HXUWFJFHSA-N 1 3 376.541 3.408 50 0 GGAAHO Cc1cnccc1CNCc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000012319614 1399039283 /nfs/dbraw/zinc/03/92/83/1399039283.db2.gz QGUPEGBVLJYTBM-QFIPXVFZSA-N 1 3 383.536 3.296 50 0 GGAAHO O=C(NCc1cccnc1)[C@H]1CCCN(C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000012435127 1399042355 /nfs/dbraw/zinc/04/23/55/1399042355.db2.gz XSSSUXWDTAAYFO-NRFANRHFSA-N 1 3 384.568 3.064 50 0 GGAAHO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(CC3CCCC3)CC2)C1 ZINC000012435127 1399042361 /nfs/dbraw/zinc/04/23/61/1399042361.db2.gz XSSSUXWDTAAYFO-NRFANRHFSA-N 1 3 384.568 3.064 50 0 GGAAHO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(CC3CCCC3)CC2)C1 ZINC000012435127 1399042366 /nfs/dbraw/zinc/04/23/66/1399042366.db2.gz XSSSUXWDTAAYFO-NRFANRHFSA-N 1 3 384.568 3.064 50 0 GGAAHO CC[NH+](CC)C[C@H](O)COc1ccc(CNCc2ccc(C)cc2)cc1OC ZINC000012587122 1399049175 /nfs/dbraw/zinc/04/91/75/1399049175.db2.gz XOJNCAJHZWQUDI-NRFANRHFSA-N 1 3 386.536 3.375 50 0 GGAAHO COc1cc(CNC2(c3ccccc3)CC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012716635 1399055420 /nfs/dbraw/zinc/05/54/20/1399055420.db2.gz NNFBFZBSFPTNAI-OAQYLSRUSA-N 1 3 396.531 3.310 50 0 GGAAHO O=C(CCC1CC[NH+](C2CCOCC2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012763970 1399058344 /nfs/dbraw/zinc/05/83/44/1399058344.db2.gz RXERCABXMSOEOB-JOCHJYFZSA-N 1 3 399.579 3.048 50 0 GGAAHO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3cc(C)cc(C)c3-n3cccn3)C2)C1 ZINC000014949658 1399128768 /nfs/dbraw/zinc/12/87/68/1399128768.db2.gz YOMGRXDKZMLKIY-HSZRJFAPSA-N 1 3 382.552 3.423 50 0 GGAAHO COCC[N@H+]1CCC[C@@]2(CCN(Cc3cc(C)cc(C)c3-n3cccn3)C2)C1 ZINC000014949658 1399128770 /nfs/dbraw/zinc/12/87/70/1399128770.db2.gz YOMGRXDKZMLKIY-HSZRJFAPSA-N 1 3 382.552 3.423 50 0 GGAAHO COCC[N@H+](CCCn1cccn1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000020450967 1399346451 /nfs/dbraw/zinc/34/64/51/1399346451.db2.gz VXYLPTATPZOSOA-NRFANRHFSA-N 1 3 396.579 3.101 50 0 GGAAHO COCC[N@@H+](CCCn1cccn1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000020450967 1399346455 /nfs/dbraw/zinc/34/64/55/1399346455.db2.gz VXYLPTATPZOSOA-NRFANRHFSA-N 1 3 396.579 3.101 50 0 GGAAHO COCCN(CCCn1cccn1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020450967 1399346466 /nfs/dbraw/zinc/34/64/66/1399346466.db2.gz VXYLPTATPZOSOA-NRFANRHFSA-N 1 3 396.579 3.101 50 0 GGAAHO COCCN(CCCn1cccn1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020450967 1399346471 /nfs/dbraw/zinc/34/64/71/1399346471.db2.gz VXYLPTATPZOSOA-NRFANRHFSA-N 1 3 396.579 3.101 50 0 GGAAHO COCC[N@@H+](Cc1ccccn1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000067846669 1409243523 /nfs/dbraw/zinc/24/35/23/1409243523.db2.gz OJEJMFNHSLHMRZ-UHFFFAOYSA-N 1 3 383.536 3.451 50 0 GGAAHO COCC[N@H+](Cc1ccccn1)CC1CCN(Cc2ccccc2OC)CC1 ZINC000067846669 1409243529 /nfs/dbraw/zinc/24/35/29/1409243529.db2.gz OJEJMFNHSLHMRZ-UHFFFAOYSA-N 1 3 383.536 3.451 50 0 GGAAHO COCCN(Cc1ccccn1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000067846669 1409243534 /nfs/dbraw/zinc/24/35/34/1409243534.db2.gz OJEJMFNHSLHMRZ-UHFFFAOYSA-N 1 3 383.536 3.451 50 0 GGAAHO CN(C(=O)c1cccc(-c2ccccc2OCC[NH+](C)C)c1)[C@H]1CCN(C)C1 ZINC000426668519 231251016 /nfs/dbraw/zinc/25/10/16/231251016.db2.gz ZGZFAMYNZMHKOI-FQEVSTJZSA-N 1 3 381.520 3.070 50 0 GGAAHO O=C(NCc1ccccn1)C1CC[NH+](C2CCN(C3CCCCC3)CC2)CC1 ZINC000015078876 210151757 /nfs/dbraw/zinc/15/17/57/210151757.db2.gz PKGKVQNLSFRUBN-UHFFFAOYSA-N 1 3 384.568 3.207 50 0 GGAAHO CCN1CCC[C@H]1CNC(=O)CCC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000015062848 210144838 /nfs/dbraw/zinc/14/48/38/210144838.db2.gz OMMHGMZLDDVMPJ-QFIPXVFZSA-N 1 3 383.580 3.247 50 0 GGAAHO COc1ccc(CNCCSC)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000012586695 209981743 /nfs/dbraw/zinc/98/17/43/209981743.db2.gz KMNNFLHTGUXDRE-IBGZPJMESA-N 1 3 396.597 3.154 50 0 GGAAHO Cc1cc(C)c(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1C ZINC000039400236 212041463 /nfs/dbraw/zinc/04/14/63/212041463.db2.gz HBENQHRSJBYMBA-XMMPIXPASA-N 1 3 387.612 3.353 50 0 GGAAHO CC(C)(C)CN1CCN(Cc2ccc(C[NH+]3CCCC3)s2)C[C@@H]1CCO ZINC000023358483 209174641 /nfs/dbraw/zinc/17/46/41/209174641.db2.gz RTVIDEQEWKEZPF-SFHVURJKSA-N 1 3 379.614 3.259 50 0 GGAAHO COc1cc(CN2CCC3(CC[NH+](CC4CC4)CC3)[C@@H](CO)C2)ccc1F ZINC000097217675 211361792 /nfs/dbraw/zinc/36/17/92/211361792.db2.gz QENFQFYHALZWJG-LJQANCHMSA-N 1 3 376.516 3.141 50 0 GGAAHO O[C@@H](COc1cccc(C[NH+]2CCCCC2)c1)CN1CCc2ccccc2C1 ZINC000095518298 211263875 /nfs/dbraw/zinc/26/38/75/211263875.db2.gz SVIVRWZGPFZWJD-HSZRJFAPSA-N 1 3 380.532 3.471 50 0 GGAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1(C)CC1 ZINC000095525885 211273173 /nfs/dbraw/zinc/27/31/73/211273173.db2.gz CYBAXNJYZAIJEY-GOSISDBHSA-N 1 3 375.532 3.228 50 0 GGAAHO O[C@H](COc1ccc(C[NH+]2CCC(F)CC2)cc1)CN1CCc2ccccc2C1 ZINC000095524958 211269614 /nfs/dbraw/zinc/26/96/14/211269614.db2.gz GRTYHVFBFYVOAK-QHCPKHFHSA-N 1 3 398.522 3.419 50 0 GGAAHO O=C(c1ccnnc1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095521783 211267883 /nfs/dbraw/zinc/26/78/83/211267883.db2.gz LBHPFENRFBPOSI-FQEVSTJZSA-N 1 3 399.583 3.059 50 0 GGAAHO O=C(c1ccnnc1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095521783 211267886 /nfs/dbraw/zinc/26/78/86/211267886.db2.gz LBHPFENRFBPOSI-FQEVSTJZSA-N 1 3 399.583 3.059 50 0 GGAAHO COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000095518539 211263772 /nfs/dbraw/zinc/26/37/72/211263772.db2.gz GRABWPZVVGEGJW-NRFANRHFSA-N 1 3 387.568 3.144 50 0 GGAAHO COc1cc(CN2CCCCC23CC3)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095510124 211259298 /nfs/dbraw/zinc/25/92/98/211259298.db2.gz HUTUNGWAKIPOQB-IBGZPJMESA-N 1 3 376.541 3.294 50 0 GGAAHO COc1cc(CN2CCCCC23CC3)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095510124 211259300 /nfs/dbraw/zinc/25/93/00/211259300.db2.gz HUTUNGWAKIPOQB-IBGZPJMESA-N 1 3 376.541 3.294 50 0 GGAAHO COc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1OC[C@@H](O)CN1CCCC1 ZINC000095506157 211258290 /nfs/dbraw/zinc/25/82/90/211258290.db2.gz LWMGHJXZHCQIEC-FQEVSTJZSA-N 1 3 388.552 3.297 50 0 GGAAHO COc1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1OC[C@@H](O)CN1CCCC1 ZINC000095506157 211258295 /nfs/dbraw/zinc/25/82/95/211258295.db2.gz LWMGHJXZHCQIEC-FQEVSTJZSA-N 1 3 388.552 3.297 50 0 GGAAHO O=C1CCCN1CCN1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095375399 211230551 /nfs/dbraw/zinc/23/05/51/211230551.db2.gz OXHKQURPDHUOGS-NRFANRHFSA-N 1 3 381.564 3.343 50 0 GGAAHO O=C1CCCN1CCN1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095375399 211230554 /nfs/dbraw/zinc/23/05/54/211230554.db2.gz OXHKQURPDHUOGS-NRFANRHFSA-N 1 3 381.564 3.343 50 0 GGAAHO COc1ccc(CN2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)cc1C ZINC000095357615 211224513 /nfs/dbraw/zinc/22/45/13/211224513.db2.gz RMHLVVKTFHXJKK-UHFFFAOYSA-N 1 3 387.568 3.160 50 0 GGAAHO COc1ccc(CN2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)c(C)c1 ZINC000091906584 211211114 /nfs/dbraw/zinc/21/11/14/211211114.db2.gz AOLUXTWDABXDBK-UHFFFAOYSA-N 1 3 387.568 3.160 50 0 GGAAHO C[NH+](C)CCCN1CC2(CCC1=O)CCN(Cc1ccc(Cl)cc1)CC2 ZINC000091626025 211199740 /nfs/dbraw/zinc/19/97/40/211199740.db2.gz HKDATFNOZLUYFO-UHFFFAOYSA-N 1 3 377.960 3.496 50 0 GGAAHO O=C(NCC(F)F)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082121044 211161513 /nfs/dbraw/zinc/16/15/13/211161513.db2.gz UPETYNSBIMQPES-UHFFFAOYSA-N 1 3 393.522 3.177 50 0 GGAAHO C[N@H+](CCCN1CC2(CCN([C@H]3CCCOC3)CC2)OC1=O)C1CCCCC1 ZINC000072411647 211114316 /nfs/dbraw/zinc/11/43/16/211114316.db2.gz RRJZQBKPLADMAQ-FQEVSTJZSA-N 1 3 393.572 3.107 50 0 GGAAHO C[N@@H+](CCCN1CC2(CCN([C@H]3CCCOC3)CC2)OC1=O)C1CCCCC1 ZINC000072411647 211114321 /nfs/dbraw/zinc/11/43/21/211114321.db2.gz RRJZQBKPLADMAQ-FQEVSTJZSA-N 1 3 393.572 3.107 50 0 GGAAHO C[N@H+](CCCN1CC2(CCN([C@@H]3CCCOC3)CC2)OC1=O)C1CCCCC1 ZINC000072411646 211113586 /nfs/dbraw/zinc/11/35/86/211113586.db2.gz RRJZQBKPLADMAQ-HXUWFJFHSA-N 1 3 393.572 3.107 50 0 GGAAHO C[N@@H+](CCCN1CC2(CCN([C@@H]3CCCOC3)CC2)OC1=O)C1CCCCC1 ZINC000072411646 211113589 /nfs/dbraw/zinc/11/35/89/211113589.db2.gz RRJZQBKPLADMAQ-HXUWFJFHSA-N 1 3 393.572 3.107 50 0 GGAAHO CC(C)(C)NC(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020209673 210322805 /nfs/dbraw/zinc/32/28/05/210322805.db2.gz NYANWAWWQJLGTA-HXUWFJFHSA-N 1 3 383.580 3.245 50 0 GGAAHO CCN(CC)C(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020206686 210320989 /nfs/dbraw/zinc/32/09/89/210320989.db2.gz DBAXKAUFADUOOV-NRFANRHFSA-N 1 3 383.580 3.199 50 0 GGAAHO CN1CCC([NH+]2CCN(Cc3c[nH]nc3-c3cccc4ccccc43)CC2)CC1 ZINC000019839794 210302784 /nfs/dbraw/zinc/30/27/84/210302784.db2.gz ZBCFEBIHKMXOER-UHFFFAOYSA-N 1 3 389.547 3.442 50 0 GGAAHO Cc1cccc(-c2ncc(CN3CCC[C@@H](N(C)CCC[NH+](C)C)C3)cn2)c1 ZINC000019633743 210277448 /nfs/dbraw/zinc/27/74/48/210277448.db2.gz GCRDYFDJQTWLKJ-JOCHJYFZSA-N 1 3 381.568 3.300 50 0 GGAAHO Cc1cccc(-c2ncc(CN3CCC[C@@H]([N@@H+](C)CCCN(C)C)C3)cn2)c1 ZINC000019633743 210277453 /nfs/dbraw/zinc/27/74/53/210277453.db2.gz GCRDYFDJQTWLKJ-JOCHJYFZSA-N 1 3 381.568 3.300 50 0 GGAAHO Cc1cccc(-c2ncc(CN3CCC[C@@H]([N@H+](C)CCCN(C)C)C3)cn2)c1 ZINC000019633743 210277457 /nfs/dbraw/zinc/27/74/57/210277457.db2.gz GCRDYFDJQTWLKJ-JOCHJYFZSA-N 1 3 381.568 3.300 50 0 GGAAHO Cc1ccsc1CN(CCN(C)C)C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000426674255 534468742 /nfs/dbraw/zinc/46/87/42/534468742.db2.gz MFGWXEOGZVDAQO-UHFFFAOYSA-N 1 3 380.602 3.250 50 0 GGAAHO C[NH+](C)CCCN1CC2(CCC1=O)CCN(c1ccnc3ccccc31)CC2 ZINC000095360280 535833196 /nfs/dbraw/zinc/83/31/96/535833196.db2.gz KONRYEYVNUUESA-UHFFFAOYSA-N 1 3 380.536 3.396 50 0 GGAAHO CCc1ccccc1OCCN(C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023429828 570362391 /nfs/dbraw/zinc/36/23/91/570362391.db2.gz MRPGAYDPUCSYDN-PKTZIBPZSA-N 1 3 380.532 3.297 50 0 GGAAHO CN(CCc1ccccc1)C1(C(=O)N[C@H]2CC[C@@H]([NH3+])CC2)Cc2ccccc2C1 ZINC000244840253 570433844 /nfs/dbraw/zinc/43/38/44/570433844.db2.gz UJUQMWKQPUKITD-ZRZAMGCNSA-N 1 3 391.559 3.085 50 0 GGAAHO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(CC3CCCC3)CC2)C1 ZINC000011664983 570578865 /nfs/dbraw/zinc/57/88/65/570578865.db2.gz XEQOSKOABJBWML-HXUWFJFHSA-N 1 3 384.568 3.064 50 0 GGAAHO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(CC3CCCC3)CC2)C1 ZINC000011664983 570578866 /nfs/dbraw/zinc/57/88/66/570578866.db2.gz XEQOSKOABJBWML-HXUWFJFHSA-N 1 3 384.568 3.064 50 0 GGAAHO CCCN1CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000011879698 570591122 /nfs/dbraw/zinc/59/11/22/570591122.db2.gz CCBHAXJKJKVFAA-QGZVFWFLSA-N 1 3 383.458 3.270 50 0 GGAAHO CN1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)(c2ccccc2)CC1 ZINC000011951386 570595816 /nfs/dbraw/zinc/59/58/16/570595816.db2.gz YUVSDJJAHNXZMB-XMMPIXPASA-N 1 3 395.591 3.375 50 0 GGAAHO CN1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)(c2ccccc2)CC1 ZINC000011951386 570595818 /nfs/dbraw/zinc/59/58/18/570595818.db2.gz YUVSDJJAHNXZMB-XMMPIXPASA-N 1 3 395.591 3.375 50 0 GGAAHO CC(C)CN(C)C(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011996811 570597291 /nfs/dbraw/zinc/59/72/91/570597291.db2.gz OOXJGQFOKSOYIK-JOCHJYFZSA-N 1 3 397.607 3.445 50 0 GGAAHO CCCC[NH2+]Cc1ccc(OC)c(OC[C@H](O)CN(C)Cc2ccccc2)c1 ZINC000012075349 570605030 /nfs/dbraw/zinc/60/50/30/570605030.db2.gz OBSZZEINFWONHC-OAQYLSRUSA-N 1 3 386.536 3.457 50 0 GGAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CC2CCOCC2)cc1 ZINC000012300446 570635706 /nfs/dbraw/zinc/63/57/06/570635706.db2.gz HEQUFHPHWHMJRJ-QHCPKHFHSA-N 1 3 398.547 3.075 50 0 GGAAHO COCCN(Cc1c[nH]c(C)n1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012307246 570639496 /nfs/dbraw/zinc/63/94/96/570639496.db2.gz OIKGVBWPOHSPIL-UHFFFAOYSA-N 1 3 386.540 3.087 50 0 GGAAHO CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C1CC[NH+](C)CC1 ZINC000012432076 570660140 /nfs/dbraw/zinc/66/01/40/570660140.db2.gz HPDCKAMYYZXVNI-FQEVSTJZSA-N 1 3 389.559 3.271 50 0 GGAAHO CC[NH+](CC)C[C@H](O)COc1ccc(CNCc2ccc(F)cc2)cc1OC ZINC000012438229 570662963 /nfs/dbraw/zinc/66/29/63/570662963.db2.gz BPGROSDAPWBICC-FQEVSTJZSA-N 1 3 390.499 3.206 50 0 GGAAHO C[NH+](C)CCNC(=O)CCC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000012596125 570689269 /nfs/dbraw/zinc/68/92/69/570689269.db2.gz DSQPUMATZKPZGB-UHFFFAOYSA-N 1 3 385.474 3.375 50 0 GGAAHO CN(Cc1ccccc1)C[C@@H](C[NH+]1CCC(NC(N)=O)CC1)c1ccccc1 ZINC000585138625 570951309 /nfs/dbraw/zinc/95/13/09/570951309.db2.gz RGWJTGGXYSLACW-NRFANRHFSA-N 1 3 380.536 3.035 50 0 GGAAHO CC[NH+](CC)C[C@H](O)COc1cc(CNCc2cccc(F)c2)ccc1OC ZINC000012712616 570967193 /nfs/dbraw/zinc/96/71/93/570967193.db2.gz NGUIZGTWLCFWIF-FQEVSTJZSA-N 1 3 390.499 3.206 50 0 GGAAHO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(N3CCC(C(=O)NC4CC4)CC3)CC1)=CC2 ZINC000011874379 1399016036 /nfs/dbraw/zinc/01/60/36/1399016036.db2.gz KKGGMQUAMCEUGA-UGKGYDQZSA-N 1 3 385.596 3.434 50 0 GGAAHO CSCC(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012092677 1399027816 /nfs/dbraw/zinc/02/78/16/1399027816.db2.gz KLKIRGZTNMMSMN-LJQANCHMSA-N 1 3 381.630 3.319 50 0 GGAAHO CSCC(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012092677 1399027823 /nfs/dbraw/zinc/02/78/23/1399027823.db2.gz KLKIRGZTNMMSMN-LJQANCHMSA-N 1 3 381.630 3.319 50 0 GGAAHO O=C(NCc1cccnc1)[C@@H]1CCCN(C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000012435126 1399042100 /nfs/dbraw/zinc/04/21/00/1399042100.db2.gz XSSSUXWDTAAYFO-OAQYLSRUSA-N 1 3 384.568 3.064 50 0 GGAAHO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(CC3CCCC3)CC2)C1 ZINC000012435126 1399042107 /nfs/dbraw/zinc/04/21/07/1399042107.db2.gz XSSSUXWDTAAYFO-OAQYLSRUSA-N 1 3 384.568 3.064 50 0 GGAAHO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(CC3CCCC3)CC2)C1 ZINC000012435126 1399042112 /nfs/dbraw/zinc/04/21/12/1399042112.db2.gz XSSSUXWDTAAYFO-OAQYLSRUSA-N 1 3 384.568 3.064 50 0 GGAAHO COc1cc(CNCc2cccc(C)c2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000012594068 1399049850 /nfs/dbraw/zinc/04/98/50/1399049850.db2.gz KMWOIERZACKHFN-OAQYLSRUSA-N 1 3 384.520 3.129 50 0 GGAAHO O=C(c1cnccn1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012701298 1399054002 /nfs/dbraw/zinc/05/40/02/1399054002.db2.gz OGJFLQUIFPEFQR-HXUWFJFHSA-N 1 3 399.583 3.059 50 0 GGAAHO O=C(c1cnccn1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012701298 1399054006 /nfs/dbraw/zinc/05/40/06/1399054006.db2.gz OGJFLQUIFPEFQR-HXUWFJFHSA-N 1 3 399.583 3.059 50 0 GGAAHO CSCCC[NH2+]Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 ZINC000012745933 1399057620 /nfs/dbraw/zinc/05/76/20/1399057620.db2.gz ZLSRPBLADGFZEK-OAQYLSRUSA-N 1 3 388.577 3.401 50 0 GGAAHO COCC[N@@H+]1CCC[C@]2(CCN(Cc3cc(C)cc(C)c3-n3cccn3)C2)C1 ZINC000014949661 1399128957 /nfs/dbraw/zinc/12/89/57/1399128957.db2.gz YOMGRXDKZMLKIY-QHCPKHFHSA-N 1 3 382.552 3.423 50 0 GGAAHO COCC[N@H+]1CCC[C@]2(CCN(Cc3cc(C)cc(C)c3-n3cccn3)C2)C1 ZINC000014949661 1399128958 /nfs/dbraw/zinc/12/89/58/1399128958.db2.gz YOMGRXDKZMLKIY-QHCPKHFHSA-N 1 3 382.552 3.423 50 0 GGAAHO O=C(NCc1ccccn1)C1CC[NH+](C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC000011754134 221124506 /nfs/dbraw/zinc/12/45/06/221124506.db2.gz KZUKCXSMVCIRNX-FQEVSTJZSA-N 1 3 396.579 3.231 50 0 GGAAHO O=C(NCc1ccccn1)C1CC[NH+](C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC000011754135 221124530 /nfs/dbraw/zinc/12/45/30/221124530.db2.gz KZUKCXSMVCIRNX-HXUWFJFHSA-N 1 3 396.579 3.231 50 0 GGAAHO COc1cc(CN2CCCC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011817161 221127398 /nfs/dbraw/zinc/12/73/98/221127398.db2.gz ZUONQBWSNIFSCF-FQEVSTJZSA-N 1 3 376.541 3.295 50 0 GGAAHO COc1cc(CN2CCCC2)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011817161 221127403 /nfs/dbraw/zinc/12/74/03/221127403.db2.gz ZUONQBWSNIFSCF-FQEVSTJZSA-N 1 3 376.541 3.295 50 0 GGAAHO COc1cc(CN2CCCC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011817162 221128397 /nfs/dbraw/zinc/12/83/97/221128397.db2.gz ZUONQBWSNIFSCF-HXUWFJFHSA-N 1 3 376.541 3.295 50 0 GGAAHO COc1cc(CN2CCCC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000011817162 221128400 /nfs/dbraw/zinc/12/84/00/221128400.db2.gz ZUONQBWSNIFSCF-HXUWFJFHSA-N 1 3 376.541 3.295 50 0 GGAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCCc3ccccc3F)C2)CC1 ZINC000011873118 221133041 /nfs/dbraw/zinc/13/30/41/221133041.db2.gz QSXKBRZYURBISY-IBGZPJMESA-N 1 3 375.532 3.069 50 0 GGAAHO CCN1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cccs1 ZINC000011874424 221134712 /nfs/dbraw/zinc/13/47/12/221134712.db2.gz XHKVZLGXOQMDBG-LJQANCHMSA-N 1 3 393.597 3.033 50 0 GGAAHO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(CC3CCCCC3)CC2)C1 ZINC000011938045 221138790 /nfs/dbraw/zinc/13/87/90/221138790.db2.gz MTMLEPYTSCIXEB-OAQYLSRUSA-N 1 3 398.595 3.455 50 0 GGAAHO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(CC3CCCCC3)CC2)C1 ZINC000011938045 221138792 /nfs/dbraw/zinc/13/87/92/221138792.db2.gz MTMLEPYTSCIXEB-OAQYLSRUSA-N 1 3 398.595 3.455 50 0 GGAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCC1(C)CC1 ZINC000012002041 221142669 /nfs/dbraw/zinc/14/26/69/221142669.db2.gz NKHAVEVPKAGEHO-NRFANRHFSA-N 1 3 393.616 3.238 50 0 GGAAHO O=C(NCC1CC1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012076792 221148543 /nfs/dbraw/zinc/14/85/43/221148543.db2.gz JMWQBKONBNDEPO-UHFFFAOYSA-N 1 3 383.580 3.322 50 0 GGAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3ccc(F)c(F)c3)C2)CC1 ZINC000012432891 221193102 /nfs/dbraw/zinc/19/31/02/221193102.db2.gz YXTWXHBHZPTRRI-QGZVFWFLSA-N 1 3 379.495 3.166 50 0 GGAAHO c1ncc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)[nH]1 ZINC000012445096 221197005 /nfs/dbraw/zinc/19/70/05/221197005.db2.gz ASBKYTDUEQZPPG-XMMPIXPASA-N 1 3 394.563 3.270 50 0 GGAAHO CCCCNC(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000012465597 221198362 /nfs/dbraw/zinc/19/83/62/221198362.db2.gz VGFCMMZZEZPTBP-OAQYLSRUSA-N 1 3 383.580 3.247 50 0 GGAAHO COc1ccc(CNCc2cccc(C)c2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012459095 221198866 /nfs/dbraw/zinc/19/88/66/221198866.db2.gz LQBRGOQHWJTWMX-NRFANRHFSA-N 1 3 386.536 3.373 50 0 GGAAHO COc1ccc(CNCc2cccc(C)c2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012459095 221198869 /nfs/dbraw/zinc/19/88/69/221198869.db2.gz LQBRGOQHWJTWMX-NRFANRHFSA-N 1 3 386.536 3.373 50 0 GGAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCCc3cccc(F)c3)C2)CC1 ZINC000012708945 221219263 /nfs/dbraw/zinc/21/92/63/221219263.db2.gz ONMAXKQTOBDCLJ-IBGZPJMESA-N 1 3 375.532 3.069 50 0 GGAAHO Cc1ncsc1CCNCc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012713386 221221051 /nfs/dbraw/zinc/22/10/51/221221051.db2.gz FGTUEBPUMQMJGJ-LJQANCHMSA-N 1 3 389.565 3.009 50 0 GGAAHO CC[NH+](CC)C[C@@H](O)COc1ccc(CNCc2ccc(C)cc2)cc1OC ZINC000012587117 221211412 /nfs/dbraw/zinc/21/14/12/221211412.db2.gz XOJNCAJHZWQUDI-OAQYLSRUSA-N 1 3 386.536 3.375 50 0 GGAAHO CCN1CCC[C@@H]1CNC(=O)CCC1CC[NH+](CCCC(F)(F)F)CC1 ZINC000015079651 221333111 /nfs/dbraw/zinc/33/31/11/221333111.db2.gz WVJYPGPJOSLSTR-QGZVFWFLSA-N 1 3 377.495 3.422 50 0 GGAAHO c1cc([C@H]2CCC[N@@H+](C3CCOCC3)C2)nc(SCCN2CCCC2)n1 ZINC000015001910 221326512 /nfs/dbraw/zinc/32/65/12/221326512.db2.gz SIGRKKNVKZBRCI-KRWDZBQOSA-N 1 3 376.570 3.023 50 0 GGAAHO c1cc([C@H]2CCC[N@H+](C3CCOCC3)C2)nc(SCCN2CCCC2)n1 ZINC000015001910 221326517 /nfs/dbraw/zinc/32/65/17/221326517.db2.gz SIGRKKNVKZBRCI-KRWDZBQOSA-N 1 3 376.570 3.023 50 0 GGAAHO CCN1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000015062846 221327446 /nfs/dbraw/zinc/32/74/46/221327446.db2.gz OMMHGMZLDDVMPJ-JOCHJYFZSA-N 1 3 383.580 3.247 50 0 GGAAHO Cc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c2ccccc2n1 ZINC000072470347 136171081 /nfs/dbraw/zinc/17/10/81/136171081.db2.gz KVFIYTSVTKZKTQ-OAQYLSRUSA-N 1 3 396.579 3.289 50 0 GGAAHO Cc1ccc(C2(CN3CCC[C@@H](C(=O)c4cccnc4)C3)CC[NH2+]CC2)nc1 ZINC000065461037 222130166 /nfs/dbraw/zinc/13/01/66/222130166.db2.gz RRLVRNRFVPWKQU-HXUWFJFHSA-N 1 3 378.520 3.001 50 0 GGAAHO CC(C)=CCC[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071388569 222183984 /nfs/dbraw/zinc/18/39/84/222183984.db2.gz VRVQVDRLULAAAE-HXUWFJFHSA-N 1 3 384.568 3.231 50 0 GGAAHO CC(C)CCC[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071551868 222185906 /nfs/dbraw/zinc/18/59/06/222185906.db2.gz OKTKEMDTUKOIED-OAQYLSRUSA-N 1 3 386.584 3.310 50 0 GGAAHO CN1CCC(Oc2ccccc2NC(=O)c2ccccc2[C@H]2CC[NH2+]C2)CC1 ZINC000072156175 222212554 /nfs/dbraw/zinc/21/25/54/222212554.db2.gz ABTBKZXAYNDXMM-KRWDZBQOSA-N 1 3 379.504 3.489 50 0 GGAAHO Cc1cccc2cc(C(=O)N3CCC[C@H]([N@@H+](C)CCCN(C)C)C3)c(C)nc12 ZINC000072153823 222212582 /nfs/dbraw/zinc/21/25/82/222212582.db2.gz OJJOUDOCVVLUPF-FQEVSTJZSA-N 1 3 382.552 3.340 50 0 GGAAHO Cc1cccc2cc(C(=O)N3CCC[C@H]([N@H+](C)CCCN(C)C)C3)c(C)nc12 ZINC000072153823 222212585 /nfs/dbraw/zinc/21/25/85/222212585.db2.gz OJJOUDOCVVLUPF-FQEVSTJZSA-N 1 3 382.552 3.340 50 0 GGAAHO CCCN1CC2(C[C@H]1C(=O)N(Cc1cccc(O)c1)C1CC1)CC[NH+](C)CC2 ZINC000072478324 222266659 /nfs/dbraw/zinc/26/66/59/222266659.db2.gz KCTASHWBZOLWAE-NRFANRHFSA-N 1 3 385.552 3.080 50 0 GGAAHO CCCN1CC2(C[C@@H]1C(=O)N(Cc1cccc(O)c1)C1CC1)CC[NH+](C)CC2 ZINC000072478323 222267477 /nfs/dbraw/zinc/26/74/77/222267477.db2.gz KCTASHWBZOLWAE-OAQYLSRUSA-N 1 3 385.552 3.080 50 0 GGAAHO CN1CC[C@H](CNc2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C1 ZINC000072411531 222256638 /nfs/dbraw/zinc/25/66/38/222256638.db2.gz JSOITIGURDKIHX-MRXNPFEDSA-N 1 3 385.943 3.163 50 0 GGAAHO Clc1ccccc1C1(c2ccnc(NCCN3CCCC3)n2)CC[NH2+]CC1 ZINC000072423199 222258202 /nfs/dbraw/zinc/25/82/02/222258202.db2.gz BEKBQTYQFGOJKC-UHFFFAOYSA-N 1 3 385.943 3.307 50 0 GGAAHO CC(C)CN(Cc1ccccc1Cl)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072456933 222262630 /nfs/dbraw/zinc/26/26/30/222262630.db2.gz QJFHAGOPOXUQNS-LJQANCHMSA-N 1 3 377.960 3.399 50 0 GGAAHO CSc1cccc(CN2CCC3(CN(CCC[NH+](C)C)C(=O)O3)CC2)c1 ZINC000072448064 222262854 /nfs/dbraw/zinc/26/28/54/222262854.db2.gz ASFHPPWLMUELKA-UHFFFAOYSA-N 1 3 377.554 3.147 50 0 GGAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CC=CC1 ZINC000095518291 222345230 /nfs/dbraw/zinc/34/52/30/222345230.db2.gz DSKQFNZWPFJABY-IBGZPJMESA-N 1 3 387.543 3.394 50 0 GGAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CCC1 ZINC000095505928 222338211 /nfs/dbraw/zinc/33/82/11/222338211.db2.gz QBVQXZWMTKSOSZ-SFHVURJKSA-N 1 3 375.532 3.228 50 0 GGAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc[nH]1 ZINC000095505332 222339647 /nfs/dbraw/zinc/33/96/47/222339647.db2.gz XEZAKLRQDJWHPE-GOSISDBHSA-N 1 3 386.515 3.070 50 0 GGAAHO O=C1CC2(CN1Cc1ccc(Cl)cc1)CCN(C[C@@H]1CCC[NH2+]C1)CC2 ZINC000077470263 222283972 /nfs/dbraw/zinc/28/39/72/222283972.db2.gz XBZTZPZFGANIFN-GOSISDBHSA-N 1 3 375.944 3.154 50 0 GGAAHO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](C[C@@H]1CCCNC1)CC2 ZINC000077470263 222283976 /nfs/dbraw/zinc/28/39/76/222283976.db2.gz XBZTZPZFGANIFN-GOSISDBHSA-N 1 3 375.944 3.154 50 0 GGAAHO O=C(c1ccnnc1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095521782 222345985 /nfs/dbraw/zinc/34/59/85/222345985.db2.gz LBHPFENRFBPOSI-HXUWFJFHSA-N 1 3 399.583 3.059 50 0 GGAAHO O=C(c1ccnnc1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095521782 222345987 /nfs/dbraw/zinc/34/59/87/222345987.db2.gz LBHPFENRFBPOSI-HXUWFJFHSA-N 1 3 399.583 3.059 50 0 GGAAHO CN1CCC(N(Cc2cccnc2)C(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)CC1 ZINC000019799350 570220243 /nfs/dbraw/zinc/22/02/43/570220243.db2.gz LARWEEVGOWFEHG-SFHVURJKSA-N 1 3 384.549 3.304 50 0 GGAAHO CSCCC[N@@H+]1CCC2(CCN(Cc3cccc(F)c3)CC2)[C@H](CO)C1 ZINC000097346765 570242894 /nfs/dbraw/zinc/24/28/94/570242894.db2.gz VFIVBIUDECDBBF-IBGZPJMESA-N 1 3 380.573 3.475 50 0 GGAAHO CSCCC[N@H+]1CCC2(CCN(Cc3cccc(F)c3)CC2)[C@H](CO)C1 ZINC000097346765 570242897 /nfs/dbraw/zinc/24/28/97/570242897.db2.gz VFIVBIUDECDBBF-IBGZPJMESA-N 1 3 380.573 3.475 50 0 GGAAHO CSCCC[N@@H+]1CCC2(CCN(Cc3cccc(F)c3)CC2)[C@@H](CO)C1 ZINC000097346767 570242994 /nfs/dbraw/zinc/24/29/94/570242994.db2.gz VFIVBIUDECDBBF-LJQANCHMSA-N 1 3 380.573 3.475 50 0 GGAAHO CSCCC[N@H+]1CCC2(CCN(Cc3cccc(F)c3)CC2)[C@@H](CO)C1 ZINC000097346767 570242995 /nfs/dbraw/zinc/24/29/95/570242995.db2.gz VFIVBIUDECDBBF-LJQANCHMSA-N 1 3 380.573 3.475 50 0 GGAAHO Cc1n[nH]c(C)c1CN1CCC2(CC[NH+](Cc3ccccc3)CC2)[C@H](CO)C1 ZINC000097436967 570243790 /nfs/dbraw/zinc/24/37/90/570243790.db2.gz JBRBZLLNPHZZKV-NRFANRHFSA-N 1 3 382.552 3.123 50 0 GGAAHO Cc1nc(CCNC(=O)[C@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)sc1C ZINC000020210281 570248281 /nfs/dbraw/zinc/24/82/81/570248281.db2.gz MHWZLDHRCDMCHH-SFHVURJKSA-N 1 3 392.613 3.003 50 0 GGAAHO C[N@H+](C[C@@H](O)COc1ccccc1CNCCc1ccncc1)C1CCCCC1 ZINC000023338599 570355361 /nfs/dbraw/zinc/35/53/61/570355361.db2.gz NTXLPTMUWSEERL-HSZRJFAPSA-N 1 3 397.563 3.418 50 0 GGAAHO C[N@@H+](C[C@@H](O)COc1ccccc1CNCCc1ccncc1)C1CCCCC1 ZINC000023338599 570355362 /nfs/dbraw/zinc/35/53/62/570355362.db2.gz NTXLPTMUWSEERL-HSZRJFAPSA-N 1 3 397.563 3.418 50 0 GGAAHO CC(C)C[C@@H](C)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000023339103 570355373 /nfs/dbraw/zinc/35/53/73/570355373.db2.gz MJUMLCITDIZVQT-LJQANCHMSA-N 1 3 386.584 3.309 50 0 GGAAHO CC(C)C[C@H](C)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000023339105 570355388 /nfs/dbraw/zinc/35/53/88/570355388.db2.gz MJUMLCITDIZVQT-IBGZPJMESA-N 1 3 386.584 3.309 50 0 GGAAHO O=C(NC1CCCC1)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000023340141 570355893 /nfs/dbraw/zinc/35/58/93/570355893.db2.gz WEVVMQJXNUVDNL-NRFANRHFSA-N 1 3 395.591 3.389 50 0 GGAAHO Cc1ccc(N2C(=O)C[C@@H](NCC3CC[NH+](Cc4cccs4)CC3)C2=O)cc1 ZINC000004784515 570405643 /nfs/dbraw/zinc/40/56/43/570405643.db2.gz NFVRFWTVWBNJJY-HXUWFJFHSA-N 1 3 397.544 3.190 50 0 GGAAHO CN(Cc1ccccc1)C[C@H](C[NH+]1CCC(NC(N)=O)CC1)c1ccccc1 ZINC000585138626 570951303 /nfs/dbraw/zinc/95/13/03/570951303.db2.gz RGWJTGGXYSLACW-OAQYLSRUSA-N 1 3 380.536 3.035 50 0 GGAAHO CC[NH+]1CCC(N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000019228861 570964373 /nfs/dbraw/zinc/96/43/73/570964373.db2.gz MKHGIGNYXPVHIR-QFIPXVFZSA-N 1 3 391.003 3.411 50 0 GGAAHO CSc1ccccc1C[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC000091586987 571016043 /nfs/dbraw/zinc/01/60/43/571016043.db2.gz LOFJZTHQAPNQMT-UHFFFAOYSA-N 1 3 375.582 3.175 50 0 GGAAHO CN(CC1CC1)C(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091644009 571021402 /nfs/dbraw/zinc/02/14/02/571021402.db2.gz FXKQZVXFRALJGO-QFIPXVFZSA-N 1 3 395.591 3.199 50 0 GGAAHO Cc1c(F)cccc1CN1CCC2(CCC(=O)N(CCC[NH+](C)C)C2)CC1 ZINC000091650399 571022633 /nfs/dbraw/zinc/02/26/33/571022633.db2.gz FHUAXFMNLAHWJR-UHFFFAOYSA-N 1 3 375.532 3.290 50 0 GGAAHO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000092037891 571042069 /nfs/dbraw/zinc/04/20/69/571042069.db2.gz PCHDNJIYHJBNKZ-QFIPXVFZSA-N 1 3 377.532 3.487 50 0 GGAAHO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000092037891 571042072 /nfs/dbraw/zinc/04/20/72/571042072.db2.gz PCHDNJIYHJBNKZ-QFIPXVFZSA-N 1 3 377.532 3.487 50 0 GGAAHO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)C1CCN(Cc2ccco2)CC1 ZINC000095376211 571064838 /nfs/dbraw/zinc/06/48/38/571064838.db2.gz SBBLXMLFUADDDX-OAQYLSRUSA-N 1 3 381.520 3.097 50 0 GGAAHO O=C(NCC[N@H+]1CC[C@@H](c2ccccc2)C1)C1CCN(Cc2ccco2)CC1 ZINC000095376211 571064839 /nfs/dbraw/zinc/06/48/39/571064839.db2.gz SBBLXMLFUADDDX-OAQYLSRUSA-N 1 3 381.520 3.097 50 0 GGAAHO O=C1CCN(Cc2cccc(-c3ccco3)c2)CCN1CC[NH+]1CCCCC1 ZINC000012077906 1399027381 /nfs/dbraw/zinc/02/73/81/1399027381.db2.gz IOEFVSSZTDXHST-UHFFFAOYSA-N 1 3 381.520 3.467 50 0 GGAAHO COc1cc(CNC2(c3ccccc3)CC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000012716630 1399055608 /nfs/dbraw/zinc/05/56/08/1399055608.db2.gz NNFBFZBSFPTNAI-NRFANRHFSA-N 1 3 396.531 3.310 50 0 GGAAHO CC(C)(C)CN1CCN(Cc2ccc(C[NH+]3CCCC3)s2)C[C@H]1CCO ZINC000104466266 1410897077 /nfs/dbraw/zinc/89/70/77/1410897077.db2.gz RTVIDEQEWKEZPF-GOSISDBHSA-N 1 3 379.614 3.259 50 0 GGAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccc(N4CCNC4=O)cc3)CC2)o1 ZINC000011841574 204356793 /nfs/dbraw/zinc/35/67/93/204356793.db2.gz SPLFLLMLQZECFZ-UHFFFAOYSA-N 1 3 396.535 3.462 50 0 GGAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccc(N4CCNC4=O)cc3)CC2)o1 ZINC000011841574 204356797 /nfs/dbraw/zinc/35/67/97/204356797.db2.gz SPLFLLMLQZECFZ-UHFFFAOYSA-N 1 3 396.535 3.462 50 0 GGAAHO CCc1ccc(CN2CCC(CCC(=O)NC[C@H]3CCC[N@H+]3CC)CC2)o1 ZINC000011842567 204356858 /nfs/dbraw/zinc/35/68/58/204356858.db2.gz TWRBFUUKXYGEKM-LJQANCHMSA-N 1 3 375.557 3.435 50 0 GGAAHO CCc1ccc(CN2CCC(CCC(=O)NC[C@H]3CCC[N@@H+]3CC)CC2)o1 ZINC000011842567 204356863 /nfs/dbraw/zinc/35/68/63/204356863.db2.gz TWRBFUUKXYGEKM-LJQANCHMSA-N 1 3 375.557 3.435 50 0 GGAAHO CCc1ccc(CN2CCC(CCC(=O)NC[C@@H]3CCC[N@H+]3CC)CC2)o1 ZINC000011842566 204357577 /nfs/dbraw/zinc/35/75/77/204357577.db2.gz TWRBFUUKXYGEKM-IBGZPJMESA-N 1 3 375.557 3.435 50 0 GGAAHO CCc1ccc(CN2CCC(CCC(=O)NC[C@@H]3CCC[N@@H+]3CC)CC2)o1 ZINC000011842566 204357580 /nfs/dbraw/zinc/35/75/80/204357580.db2.gz TWRBFUUKXYGEKM-IBGZPJMESA-N 1 3 375.557 3.435 50 0 GGAAHO COc1cc(C[NH2+]CCCc2ccccc2)ccc1OC[C@@H](O)CN1CCCC1 ZINC000011874383 204359098 /nfs/dbraw/zinc/35/90/98/204359098.db2.gz SNKYRGTXBKWPKE-QFIPXVFZSA-N 1 3 398.547 3.253 50 0 GGAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NCCc3ccccc3F)C2)CC1 ZINC000011873119 204360058 /nfs/dbraw/zinc/36/00/58/204360058.db2.gz QSXKBRZYURBISY-LJQANCHMSA-N 1 3 375.532 3.069 50 0 GGAAHO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(CC3CCCCC3)CC2)C1 ZINC000011938046 204365141 /nfs/dbraw/zinc/36/51/41/204365141.db2.gz MTMLEPYTSCIXEB-NRFANRHFSA-N 1 3 398.595 3.455 50 0 GGAAHO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(CC3CCCCC3)CC2)C1 ZINC000011938046 204365146 /nfs/dbraw/zinc/36/51/46/204365146.db2.gz MTMLEPYTSCIXEB-NRFANRHFSA-N 1 3 398.595 3.455 50 0 GGAAHO CC(C)CN(C)C(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011996812 204366469 /nfs/dbraw/zinc/36/64/69/204366469.db2.gz OOXJGQFOKSOYIK-QFIPXVFZSA-N 1 3 397.607 3.445 50 0 GGAAHO C[N@H+](C[C@H](O)COc1ccccc1CNCCc1cccnc1)C1CCCCC1 ZINC000012205431 204382746 /nfs/dbraw/zinc/38/27/46/204382746.db2.gz HWBLTWUAFKBBDG-QHCPKHFHSA-N 1 3 397.563 3.418 50 0 GGAAHO C[N@@H+](C[C@H](O)COc1ccccc1CNCCc1cccnc1)C1CCCCC1 ZINC000012205431 204382750 /nfs/dbraw/zinc/38/27/50/204382750.db2.gz HWBLTWUAFKBBDG-QHCPKHFHSA-N 1 3 397.563 3.418 50 0 GGAAHO COc1ccc(CNCc2ccc(C)s2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012210472 204383630 /nfs/dbraw/zinc/38/36/30/204383630.db2.gz HEIGSLIIMUVORG-GOSISDBHSA-N 1 3 392.565 3.435 50 0 GGAAHO COc1ccc(CNCc2ccc(C)s2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012210472 204383634 /nfs/dbraw/zinc/38/36/34/204383634.db2.gz HEIGSLIIMUVORG-GOSISDBHSA-N 1 3 392.565 3.435 50 0 GGAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CC2CCOCC2)cc1 ZINC000012300444 204390632 /nfs/dbraw/zinc/39/06/32/204390632.db2.gz HEQUFHPHWHMJRJ-HSZRJFAPSA-N 1 3 398.547 3.075 50 0 GGAAHO OCc1ccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000012298668 204390679 /nfs/dbraw/zinc/39/06/79/204390679.db2.gz NZFDUYQVLLQNIT-FQEVSTJZSA-N 1 3 376.541 3.408 50 0 GGAAHO CC(C)(C)CC[NH+]1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000067818526 205263052 /nfs/dbraw/zinc/26/30/52/205263052.db2.gz QZIFCAPHPOFGKY-IBGZPJMESA-N 1 3 386.584 3.310 50 0 GGAAHO CC(C)(C)CCN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000067818526 205263056 /nfs/dbraw/zinc/26/30/56/205263056.db2.gz QZIFCAPHPOFGKY-IBGZPJMESA-N 1 3 386.584 3.310 50 0 GGAAHO CC(C)(C)CCN1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000067818526 205263058 /nfs/dbraw/zinc/26/30/58/205263058.db2.gz QZIFCAPHPOFGKY-IBGZPJMESA-N 1 3 386.584 3.310 50 0 GGAAHO CCC1(NC(=O)[C@H]2CCCN(C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000071721644 205287323 /nfs/dbraw/zinc/28/73/23/205287323.db2.gz FFGCAVAKGSDHJG-NRFANRHFSA-N 1 3 383.580 3.464 50 0 GGAAHO O=C([C@H]1CCCN(C2CC[NH+](CCCc3ccccc3)CC2)C1)N1CCCC1 ZINC000071712237 205288087 /nfs/dbraw/zinc/28/80/87/205288087.db2.gz WNNWJMNFRCRJKE-QFIPXVFZSA-N 1 3 383.580 3.418 50 0 GGAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)N(C)Cc3nc4ccccc4[nH]3)C2)CC1 ZINC000071762019 205293397 /nfs/dbraw/zinc/29/33/97/205293397.db2.gz HXANUSBHYBPGJB-SFHVURJKSA-N 1 3 397.567 3.106 50 0 GGAAHO CC(C)=CCC[NH+]1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071763864 205294978 /nfs/dbraw/zinc/29/49/78/205294978.db2.gz KSUUNHQQWAPISX-NRFANRHFSA-N 1 3 384.568 3.231 50 0 GGAAHO Cc1cccc2cc(C(=O)N3CCC[C@@H]([N@@H+](C)CCCN(C)C)C3)c(C)nc12 ZINC000072153824 205312531 /nfs/dbraw/zinc/31/25/31/205312531.db2.gz OJJOUDOCVVLUPF-HXUWFJFHSA-N 1 3 382.552 3.340 50 0 GGAAHO Cc1cccc2cc(C(=O)N3CCC[C@@H]([N@H+](C)CCCN(C)C)C3)c(C)nc12 ZINC000072153824 205312536 /nfs/dbraw/zinc/31/25/36/205312536.db2.gz OJJOUDOCVVLUPF-HXUWFJFHSA-N 1 3 382.552 3.340 50 0 GGAAHO CC(C)CN(Cc1ccccc1Cl)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072456931 205352052 /nfs/dbraw/zinc/35/20/52/205352052.db2.gz QJFHAGOPOXUQNS-IBGZPJMESA-N 1 3 377.960 3.399 50 0 GGAAHO O=C1CC2(CN1Cc1ccc(Cl)cc1)CCN(C[C@H]1CCC[NH2+]C1)CC2 ZINC000077470264 205364065 /nfs/dbraw/zinc/36/40/65/205364065.db2.gz XBZTZPZFGANIFN-SFHVURJKSA-N 1 3 375.944 3.154 50 0 GGAAHO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](C[C@H]1CCCNC1)CC2 ZINC000077470264 205364068 /nfs/dbraw/zinc/36/40/68/205364068.db2.gz XBZTZPZFGANIFN-SFHVURJKSA-N 1 3 375.944 3.154 50 0 GGAAHO COCCN1CCC(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299772435 206188072 /nfs/dbraw/zinc/18/80/72/206188072.db2.gz XTZKEUFPKGASBK-ZRBLBEILSA-N 1 3 399.579 3.029 50 0 GGAAHO COCCN1CCC(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)CC1 ZINC000299772435 206188077 /nfs/dbraw/zinc/18/80/77/206188077.db2.gz XTZKEUFPKGASBK-ZRBLBEILSA-N 1 3 399.579 3.029 50 0 GGAAHO O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000299776254 206189131 /nfs/dbraw/zinc/18/91/31/206189131.db2.gz MNTWVOUIMWZXRQ-HSZRJFAPSA-N 1 3 375.516 3.165 50 0 GGAAHO O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000299776254 206189136 /nfs/dbraw/zinc/18/91/36/206189136.db2.gz MNTWVOUIMWZXRQ-HSZRJFAPSA-N 1 3 375.516 3.165 50 0 GGAAHO CCCC[NH2+]Cc1ccc(OC)c(OC[C@@H](O)CN(C)Cc2ccccc2)c1 ZINC000012075346 221148844 /nfs/dbraw/zinc/14/88/44/221148844.db2.gz OBSZZEINFWONHC-NRFANRHFSA-N 1 3 386.536 3.457 50 0 GGAAHO O[C@H]1[C@H](NCCc2nc3ccccc3s2)c2ccccc2C12CC[NH2+]CC2 ZINC000072477829 222267105 /nfs/dbraw/zinc/26/71/05/222267105.db2.gz MBOBWOGDDWYYBA-RTWAWAEBSA-N 1 3 379.529 3.165 50 0 GGAAHO CCCN1CC2(C[C@@H]1C(=O)NCCc1ccc(Cl)cc1)CC[NH+](C)CC2 ZINC000072476170 222264189 /nfs/dbraw/zinc/26/41/89/222264189.db2.gz BVIOWIOAAXJWGX-LJQANCHMSA-N 1 3 377.960 3.195 50 0 GGAAHO CN1CCC(N(Cc2cccnc2)C(=O)c2ccc([C@H]3CCC[NH2+]3)s2)CC1 ZINC000019799353 570220266 /nfs/dbraw/zinc/22/02/66/570220266.db2.gz LARWEEVGOWFEHG-GOSISDBHSA-N 1 3 384.549 3.304 50 0 GGAAHO OCCN1CC[NH+](C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000019907671 570229368 /nfs/dbraw/zinc/22/93/68/570229368.db2.gz DCGYPOGDZYVXKW-UHFFFAOYSA-N 1 3 395.547 3.053 50 0 GGAAHO OCCN1CCN(C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000019907671 570229370 /nfs/dbraw/zinc/22/93/70/570229370.db2.gz DCGYPOGDZYVXKW-UHFFFAOYSA-N 1 3 395.547 3.053 50 0 GGAAHO COc1cc(CN2CCC3(CC[NH+](CC4CC4)CC3)[C@H](CO)C2)ccc1F ZINC000097217674 570238870 /nfs/dbraw/zinc/23/88/70/570238870.db2.gz QENFQFYHALZWJG-IBGZPJMESA-N 1 3 376.516 3.141 50 0 GGAAHO Cc1cccc(OCCCN(C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)c1 ZINC000020206429 570247946 /nfs/dbraw/zinc/24/79/46/570247946.db2.gz LRDXOKFWFDXEOQ-PKTZIBPZSA-N 1 3 380.532 3.433 50 0 GGAAHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc2c(c1)CCCC2 ZINC000051759337 570410213 /nfs/dbraw/zinc/41/02/13/570410213.db2.gz WWPHKUNMGCGTIP-GOSISDBHSA-N 1 3 398.595 3.484 50 0 GGAAHO CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C1CC[NH+](C)CC1 ZINC000012432075 570660050 /nfs/dbraw/zinc/66/00/50/570660050.db2.gz HPDCKAMYYZXVNI-HXUWFJFHSA-N 1 3 389.559 3.271 50 0 GGAAHO CC[C@@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000012440907 570664401 /nfs/dbraw/zinc/66/44/01/570664401.db2.gz IKACTZRJXREWJK-OAHLLOKOSA-N 1 3 381.948 3.273 50 0 GGAAHO CCC(CC)CN1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012442455 570665103 /nfs/dbraw/zinc/66/51/03/570665103.db2.gz AIHHGPMNKNAWCD-UHFFFAOYSA-N 1 3 386.584 3.310 50 0 GGAAHO CCOCCC[NH2+]Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 ZINC000012457980 570669656 /nfs/dbraw/zinc/66/96/56/570669656.db2.gz VONAYUUDUFKBMZ-QFIPXVFZSA-N 1 3 386.536 3.075 50 0 GGAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NCCc3cccc(F)c3)C2)CC1 ZINC000012708940 570701448 /nfs/dbraw/zinc/70/14/48/570701448.db2.gz ONMAXKQTOBDCLJ-LJQANCHMSA-N 1 3 375.532 3.069 50 0 GGAAHO Cc1ncsc1CCNCc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012713381 570703158 /nfs/dbraw/zinc/70/31/58/570703158.db2.gz FGTUEBPUMQMJGJ-IBGZPJMESA-N 1 3 389.565 3.009 50 0 GGAAHO CC[NH+](CC)Cc1ccc(OC)c(OC[C@@H](O)CN(C)Cc2ccccc2)c1 ZINC000014970689 570867908 /nfs/dbraw/zinc/86/79/08/570867908.db2.gz ISYFTYHAXCRJSW-NRFANRHFSA-N 1 3 386.536 3.409 50 0 GGAAHO CC[NH+](CC)Cc1ccc(OC)c(OC[C@H](O)CN(C)Cc2ccccc2)c1 ZINC000014970693 570867945 /nfs/dbraw/zinc/86/79/45/570867945.db2.gz ISYFTYHAXCRJSW-OAQYLSRUSA-N 1 3 386.536 3.409 50 0 GGAAHO COc1ccc(CNCCSC)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000012586699 570882302 /nfs/dbraw/zinc/88/23/02/570882302.db2.gz KMNNFLHTGUXDRE-LJQANCHMSA-N 1 3 396.597 3.154 50 0 GGAAHO CC(C)N(C)C(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000019223310 570963168 /nfs/dbraw/zinc/96/31/68/570963168.db2.gz VMNOTYFZCHOOCG-OAQYLSRUSA-N 1 3 383.580 3.197 50 0 GGAAHO Cn1cc(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC000019224447 570964170 /nfs/dbraw/zinc/96/41/70/570964170.db2.gz SRKUVUXTFZJBJM-OAQYLSRUSA-N 1 3 387.616 3.363 50 0 GGAAHO Cn1cc(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC000019224447 570964172 /nfs/dbraw/zinc/96/41/72/570964172.db2.gz SRKUVUXTFZJBJM-OAQYLSRUSA-N 1 3 387.616 3.363 50 0 GGAAHO Cc1ccccc1-c1ccc(CN2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])cc1 ZINC000091644076 571021370 /nfs/dbraw/zinc/02/13/70/571021370.db2.gz KIZIKXLYTDVIRF-PKTZIBPZSA-N 1 3 380.532 3.353 50 0 GGAAHO [NH3+][C@H]1CN(C(=O)CC2CCN(Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000091665872 571025529 /nfs/dbraw/zinc/02/55/29/571025529.db2.gz ADPWWFOAIIHGFP-PKTZIBPZSA-N 1 3 377.532 3.242 50 0 GGAAHO O=C(N1CC[C@H]2C[NH2+]C[C@H]21)C1(c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000092038451 571042059 /nfs/dbraw/zinc/04/20/59/571042059.db2.gz ZQXHUMPPEAIENW-JTHBVZDNSA-N 1 3 389.543 3.041 50 0 GGAAHO O=C1CCCN1CCN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095375398 571064117 /nfs/dbraw/zinc/06/41/17/571064117.db2.gz OXHKQURPDHUOGS-OAQYLSRUSA-N 1 3 381.564 3.343 50 0 GGAAHO O=C1CCCN1CCN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095375398 571064120 /nfs/dbraw/zinc/06/41/20/571064120.db2.gz OXHKQURPDHUOGS-OAQYLSRUSA-N 1 3 381.564 3.343 50 0 GGAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1ccc[nH]1 ZINC000095505333 571078528 /nfs/dbraw/zinc/07/85/28/571078528.db2.gz XEZAKLRQDJWHPE-SFHVURJKSA-N 1 3 386.515 3.070 50 0 GGAAHO O[C@H](COc1cccc(C[NH+]2CCCCC2)c1)CN1CCc2ccccc2C1 ZINC000095518297 571085362 /nfs/dbraw/zinc/08/53/62/571085362.db2.gz SVIVRWZGPFZWJD-QHCPKHFHSA-N 1 3 380.532 3.471 50 0 GGAAHO CN(C)CCNC(=O)c1ccc(OC2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000095525596 571090758 /nfs/dbraw/zinc/09/07/58/571090758.db2.gz YVXNAWHJPNEOSW-UHFFFAOYSA-N 1 3 393.959 3.417 50 0 GGAAHO COC1CCN(Cc2ccccc2OC[C@@H](O)C[N@H+](C)C2CCCCC2)CC1 ZINC000012002235 1399023708 /nfs/dbraw/zinc/02/37/08/1399023708.db2.gz KRUBIYVZMVERSA-NRFANRHFSA-N 1 3 390.568 3.302 50 0 GGAAHO COC1CCN(Cc2ccccc2OC[C@@H](O)C[N@@H+](C)C2CCCCC2)CC1 ZINC000012002235 1399023711 /nfs/dbraw/zinc/02/37/11/1399023711.db2.gz KRUBIYVZMVERSA-NRFANRHFSA-N 1 3 390.568 3.302 50 0 GGAAHO O[C@H](COc1cccc(C[NH2+]C2CCCCCCC2)c1)CN1CCC(O)CC1 ZINC000012299450 1399036513 /nfs/dbraw/zinc/03/65/13/1399036513.db2.gz VHRRETWGDZPJAB-QFIPXVFZSA-N 1 3 390.568 3.086 50 0 GGAAHO COc1ccc(CNCc2ccc(C)cc2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012703697 1399054851 /nfs/dbraw/zinc/05/48/51/1399054851.db2.gz IPIHLUPDZBKACM-OAQYLSRUSA-N 1 3 386.536 3.373 50 0 GGAAHO COc1ccc(CNCc2ccc(C)cc2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012703697 1399054858 /nfs/dbraw/zinc/05/48/58/1399054858.db2.gz IPIHLUPDZBKACM-OAQYLSRUSA-N 1 3 386.536 3.373 50 0 GGAAHO CCOCCC[NH2+]Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000015077600 1399136572 /nfs/dbraw/zinc/13/65/72/1399136572.db2.gz QGSSNYIETXIJLY-HSZRJFAPSA-N 1 3 398.547 3.001 50 0 GGAAHO Cc1cccc(-c2ncc(CN3CCC[C@H](N(C)CCC[NH+](C)C)C3)cn2)c1 ZINC000019633746 1399333305 /nfs/dbraw/zinc/33/33/05/1399333305.db2.gz GCRDYFDJQTWLKJ-QFIPXVFZSA-N 1 3 381.568 3.300 50 0 GGAAHO Cc1[nH]c2ccccc2c1CN1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000019840553 1399338535 /nfs/dbraw/zinc/33/85/35/1399338535.db2.gz DDXBZGSBIDZSIC-NRFANRHFSA-N 1 3 398.595 3.218 50 0 GGAAHO CN(C(=O)c1cccc(-c2ccccc2OCC[NH+](C)C)c1)[C@@H]1CCN(C)C1 ZINC000426668520 231250152 /nfs/dbraw/zinc/25/01/52/231250152.db2.gz ZGZFAMYNZMHKOI-HXUWFJFHSA-N 1 3 381.520 3.070 50 0 GGAAHO CSc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000004691596 206542784 /nfs/dbraw/zinc/54/27/84/206542784.db2.gz SEHJVWRKRBJOCH-UHFFFAOYSA-N 1 3 377.598 3.325 50 0 GGAAHO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC000012430284 206895665 /nfs/dbraw/zinc/89/56/65/206895665.db2.gz GFKOLNSWUVORLP-FQEVSTJZSA-N 1 3 396.579 3.231 50 0 GGAAHO CCN1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C1=CCCCC1 ZINC000015077933 207045694 /nfs/dbraw/zinc/04/56/94/207045694.db2.gz OGCKQGXULIGXDJ-JOCHJYFZSA-N 1 3 391.600 3.158 50 0 GGAAHO CCOCCC[NH2+]Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000015077598 207045840 /nfs/dbraw/zinc/04/58/40/207045840.db2.gz QGSSNYIETXIJLY-QHCPKHFHSA-N 1 3 398.547 3.001 50 0 GGAAHO COc1ccc(CNCCSC)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000015066580 207041864 /nfs/dbraw/zinc/04/18/64/207041864.db2.gz WWNVCVQGZIKZNX-LJQANCHMSA-N 1 3 396.597 3.154 50 0 GGAAHO COc1ccc(CNCCSC)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000015066579 207043086 /nfs/dbraw/zinc/04/30/86/207043086.db2.gz WWNVCVQGZIKZNX-IBGZPJMESA-N 1 3 396.597 3.154 50 0 GGAAHO COc1ccc(C[NH2+]CC2CC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000015072576 207044283 /nfs/dbraw/zinc/04/42/83/207044283.db2.gz YMBBXGALHPJVBB-NRFANRHFSA-N 1 3 384.520 3.067 50 0 GGAAHO Cc1cc(C)cc(OCCN(C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)c1 ZINC000019866521 207167684 /nfs/dbraw/zinc/16/76/84/207167684.db2.gz SLVFURBPXFIZRP-PKTZIBPZSA-N 1 3 380.532 3.351 50 0 GGAAHO COc1ccc(CN2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000019831770 207165148 /nfs/dbraw/zinc/16/51/48/207165148.db2.gz XMWXKEGTVQBNAR-UHFFFAOYSA-N 1 3 379.548 3.477 50 0 GGAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3cccc4[nH]ccc43)C2)CC1 ZINC000020202651 207182211 /nfs/dbraw/zinc/18/22/11/207182211.db2.gz KBJBNRSDGRQODF-LJQANCHMSA-N 1 3 382.552 3.369 50 0 GGAAHO CCN(CC)C(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020206683 207182699 /nfs/dbraw/zinc/18/26/99/207182699.db2.gz DBAXKAUFADUOOV-OAQYLSRUSA-N 1 3 383.580 3.199 50 0 GGAAHO O=C(NC1CCCC1)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000023340138 207274197 /nfs/dbraw/zinc/27/41/97/207274197.db2.gz WEVVMQJXNUVDNL-OAQYLSRUSA-N 1 3 395.591 3.389 50 0 GGAAHO c1cn(-c2cccc(C[NH+]3CCCCC3)c2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072409092 208016040 /nfs/dbraw/zinc/01/60/40/208016040.db2.gz LGTUMVRDGQGPCX-UHFFFAOYSA-N 1 3 376.508 3.215 50 0 GGAAHO c1csc(CN2CCC(n3ccnc3-c3cc4n(n3)CCC[NH2+]C4)CC2)c1 ZINC000072419111 208018788 /nfs/dbraw/zinc/01/87/88/208018788.db2.gz AGCFTNKVWLRENE-UHFFFAOYSA-N 1 3 382.537 3.139 50 0 GGAAHO CN1CC[C@@H](CNc2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C1 ZINC000072411532 208019719 /nfs/dbraw/zinc/01/97/19/208019719.db2.gz JSOITIGURDKIHX-INIZCTEOSA-N 1 3 385.943 3.163 50 0 GGAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CCC1 ZINC000095505927 208207507 /nfs/dbraw/zinc/20/75/07/208207507.db2.gz QBVQXZWMTKSOSZ-GOSISDBHSA-N 1 3 375.532 3.228 50 0 GGAAHO COc1ccc(/C=C/C[NH+]2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)cc1 ZINC000095500498 208201280 /nfs/dbraw/zinc/20/12/80/208201280.db2.gz IPJUIBJDUIRYTB-SHTLVRLNSA-N 1 3 397.563 3.117 50 0 GGAAHO CC[NH+](CC)C[C@H](O)COc1ccc(CN2CCC(C)(C)CC2)cc1OC ZINC000095500659 208202011 /nfs/dbraw/zinc/20/20/11/208202011.db2.gz NDNBSRWYXBXNRK-IBGZPJMESA-N 1 3 378.557 3.399 50 0 GGAAHO COc1cc(CN2CCCCC23CC3)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095510125 208211182 /nfs/dbraw/zinc/21/11/82/208211182.db2.gz HUTUNGWAKIPOQB-LJQANCHMSA-N 1 3 376.541 3.294 50 0 GGAAHO COc1cc(CN2CCCCC23CC3)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095510125 208211188 /nfs/dbraw/zinc/21/11/88/208211188.db2.gz HUTUNGWAKIPOQB-LJQANCHMSA-N 1 3 376.541 3.294 50 0 GGAAHO COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000095516671 208215716 /nfs/dbraw/zinc/21/57/16/208215716.db2.gz JYADJIUASAQVLL-FQEVSTJZSA-N 1 3 387.568 3.001 50 0 GGAAHO COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000095518540 208216946 /nfs/dbraw/zinc/21/69/46/208216946.db2.gz GRABWPZVVGEGJW-OAQYLSRUSA-N 1 3 387.568 3.144 50 0 GGAAHO COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000095516670 208218294 /nfs/dbraw/zinc/21/82/94/208218294.db2.gz JYADJIUASAQVLL-HXUWFJFHSA-N 1 3 387.568 3.001 50 0 GGAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1(C)CC1 ZINC000095525886 208222291 /nfs/dbraw/zinc/22/22/91/208222291.db2.gz CYBAXNJYZAIJEY-SFHVURJKSA-N 1 3 375.532 3.228 50 0 GGAAHO CN1CCC(Cc2nc([C@H]3CC[NH2+]C3)n(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC000096148283 208273216 /nfs/dbraw/zinc/27/32/16/208273216.db2.gz WJALPRFZEVFVBH-AWEZNQCLSA-N 1 3 377.895 3.021 50 0 GGAAHO CN1CCC(Cc2nc([C@@H]3CC[NH2+]C3)n(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC000096148282 208274797 /nfs/dbraw/zinc/27/47/97/208274797.db2.gz WJALPRFZEVFVBH-CQSZACIVSA-N 1 3 377.895 3.021 50 0 GGAAHO OC[C@H]1CN(Cc2ccc(Cl)cc2)CCC12CC[NH+](C1CCOCC1)CC2 ZINC000097785423 208364027 /nfs/dbraw/zinc/36/40/27/208364027.db2.gz FIDXHKXJMZMELL-LJQANCHMSA-N 1 3 392.971 3.415 50 0 GGAAHO CN(Cc1ccc(OCCN2CC[NH2+]CC2)cc1)Cc1ccc2ncccc2c1 ZINC000299788178 209089414 /nfs/dbraw/zinc/08/94/14/209089414.db2.gz XMCYLFFPFDKROQ-UHFFFAOYSA-N 1 3 390.531 3.151 50 0 GGAAHO COc1ccccc1CC[NH2+]Cc1ccccc1OC[C@H](O)CN1CCCCC1 ZINC000012752895 221225338 /nfs/dbraw/zinc/22/53/38/221225338.db2.gz QWKHCDJGSKAXGE-JOCHJYFZSA-N 1 3 398.547 3.253 50 0 GGAAHO COc1ccc(C[NH2+]C2CCCCCC2)cc1OC[C@@H](O)CN1CCCC1 ZINC000015062332 221327562 /nfs/dbraw/zinc/32/75/62/221327562.db2.gz RUMCFVOXWOTRMM-FQEVSTJZSA-N 1 3 376.541 3.343 50 0 GGAAHO CN1CCC(C[N@@H+]2CCCC23CCN(c2cnc4ccccc4n2)CC3)CC1 ZINC000072406782 136169455 /nfs/dbraw/zinc/16/94/55/136169455.db2.gz KIOVMLHOHCVCAF-UHFFFAOYSA-N 1 3 379.552 3.406 50 0 GGAAHO CN1CCC(C[N@H+]2CCCC23CCN(c2cnc4ccccc4n2)CC3)CC1 ZINC000072406782 136169456 /nfs/dbraw/zinc/16/94/56/136169456.db2.gz KIOVMLHOHCVCAF-UHFFFAOYSA-N 1 3 379.552 3.406 50 0 GGAAHO Cc1cc(N2CCC([NH2+][C@H]3CCC[C@H]3Cc3ccc(F)cc3)CC2)nc(N)n1 ZINC000095367035 136178194 /nfs/dbraw/zinc/17/81/94/136178194.db2.gz NQBNAQQBETXERY-PXNSSMCTSA-N 1 3 383.515 3.476 50 0 GGAAHO Cc1cc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3F)CC2)nc(N)n1 ZINC000095375582 136178411 /nfs/dbraw/zinc/17/84/11/136178411.db2.gz VQDRNFMVUIRYKE-UHFFFAOYSA-N 1 3 383.393 3.284 50 0 GGAAHO Cc1ccc2nc(CCC[NH2+]C3CCN(c4cc(C)nc(N)n4)CC3)oc2c1 ZINC000095386948 136178691 /nfs/dbraw/zinc/17/86/91/136178691.db2.gz YSNMXCQXCJJLNP-UHFFFAOYSA-N 1 3 380.496 3.008 50 0 GGAAHO CC(C)CNC(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011753893 570581405 /nfs/dbraw/zinc/58/14/05/570581405.db2.gz SMCGLIQUNNXJEX-OAQYLSRUSA-N 1 3 383.580 3.102 50 0 GGAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cccc(C(C)=O)c2)CC1 ZINC000011815054 570583951 /nfs/dbraw/zinc/58/39/51/570583951.db2.gz OCLNALATZDDVCF-QHCPKHFHSA-N 1 3 399.579 3.482 50 0 GGAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cccc(C(C)=O)c2)CC1 ZINC000011815054 570583954 /nfs/dbraw/zinc/58/39/54/570583954.db2.gz OCLNALATZDDVCF-QHCPKHFHSA-N 1 3 399.579 3.482 50 0 GGAAHO CN(C(=O)CC[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000012026853 570599328 /nfs/dbraw/zinc/59/93/28/570599328.db2.gz XZEUBDSFLVVPGD-SFHVURJKSA-N 1 3 375.532 3.371 50 0 GGAAHO COc1cc(CNCc2ccc(C)s2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012477962 570674320 /nfs/dbraw/zinc/67/43/20/570674320.db2.gz OSYWHXWFYYHYNA-SFHVURJKSA-N 1 3 392.565 3.435 50 0 GGAAHO COc1cc(CNCc2ccc(C)s2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012477962 570674325 /nfs/dbraw/zinc/67/43/25/570674325.db2.gz OSYWHXWFYYHYNA-SFHVURJKSA-N 1 3 392.565 3.435 50 0 GGAAHO CC(C)OCC[NH2+]Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 ZINC000012573418 570681754 /nfs/dbraw/zinc/68/17/54/570681754.db2.gz PWWYQJAZFWTJRD-JOCHJYFZSA-N 1 3 386.536 3.073 50 0 GGAAHO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)C1CCN(Cc2ccco2)CC1 ZINC000012761977 570711094 /nfs/dbraw/zinc/71/10/94/570711094.db2.gz PSWDTEXPIGEWLK-JOCHJYFZSA-N 1 3 395.547 3.315 50 0 GGAAHO O=C(N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCN(Cc2ccco2)CC1 ZINC000012761977 570711095 /nfs/dbraw/zinc/71/10/95/570711095.db2.gz PSWDTEXPIGEWLK-JOCHJYFZSA-N 1 3 395.547 3.315 50 0 GGAAHO CC(C)(C)CC[NH+]1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071754764 570848601 /nfs/dbraw/zinc/84/86/01/570848601.db2.gz WQPNFRBBFHKNRZ-FQEVSTJZSA-N 1 3 386.584 3.310 50 0 GGAAHO CC(C)(C)CCN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071754764 570848604 /nfs/dbraw/zinc/84/86/04/570848604.db2.gz WQPNFRBBFHKNRZ-FQEVSTJZSA-N 1 3 386.584 3.310 50 0 GGAAHO CC(C)(C)CCN1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071754764 570848607 /nfs/dbraw/zinc/84/86/07/570848607.db2.gz WQPNFRBBFHKNRZ-FQEVSTJZSA-N 1 3 386.584 3.310 50 0 GGAAHO C[NH+]1C(C)(C)CC(Nc2nc(-c3ccccn3)nc3c2CCNC3)CC1(C)C ZINC000072145667 570871635 /nfs/dbraw/zinc/87/16/35/570871635.db2.gz PFWNPGNPFOFSQO-UHFFFAOYSA-N 1 3 380.540 3.248 50 0 GGAAHO O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000072171360 570877545 /nfs/dbraw/zinc/87/75/45/570877545.db2.gz KUXQJUXSQIIICU-NRFANRHFSA-N 1 3 389.543 3.079 50 0 GGAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cccs1 ZINC000011874425 1399015895 /nfs/dbraw/zinc/01/58/95/1399015895.db2.gz XHKVZLGXOQMDBG-IBGZPJMESA-N 1 3 393.597 3.033 50 0 GGAAHO COCC[N@H+](CC1CCN(Cc2ccccc2F)CC1)C1CCN(C)CC1 ZINC000012072385 1399026491 /nfs/dbraw/zinc/02/64/91/1399026491.db2.gz DXSGCGDECMLQGC-UHFFFAOYSA-N 1 3 377.548 3.080 50 0 GGAAHO COCC[N@@H+](CC1CCN(Cc2ccccc2F)CC1)C1CCN(C)CC1 ZINC000012072385 1399026498 /nfs/dbraw/zinc/02/64/98/1399026498.db2.gz DXSGCGDECMLQGC-UHFFFAOYSA-N 1 3 377.548 3.080 50 0 GGAAHO O=C(NC[C@@H]1CCCN(Cc2cc(C[NH+]3CCCC3)cs2)C1)c1cccnc1 ZINC000012201657 1399033526 /nfs/dbraw/zinc/03/35/26/1399033526.db2.gz XNKSGCMOXJRGTC-SFHVURJKSA-N 1 3 398.576 3.381 50 0 GGAAHO c1ncc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)[nH]1 ZINC000012445100 1399043191 /nfs/dbraw/zinc/04/31/91/1399043191.db2.gz ASBKYTDUEQZPPG-DEOSSOPVSA-N 1 3 394.563 3.270 50 0 GGAAHO O=C(c1cnccn1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012701303 1399053903 /nfs/dbraw/zinc/05/39/03/1399053903.db2.gz OGJFLQUIFPEFQR-FQEVSTJZSA-N 1 3 399.583 3.059 50 0 GGAAHO O=C(c1cnccn1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012701303 1399053908 /nfs/dbraw/zinc/05/39/08/1399053908.db2.gz OGJFLQUIFPEFQR-FQEVSTJZSA-N 1 3 399.583 3.059 50 0 GGAAHO O=C(CCC1CC[NH+](C2CCOCC2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012763976 1399058157 /nfs/dbraw/zinc/05/81/57/1399058157.db2.gz RXERCABXMSOEOB-QFIPXVFZSA-N 1 3 399.579 3.048 50 0 GGAAHO CCN1CCCC[C@H]1C(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000014980442 1399129385 /nfs/dbraw/zinc/12/93/85/1399129385.db2.gz QAWLUHYNTQPHMK-QFIPXVFZSA-N 1 3 389.559 3.413 50 0 GGAAHO COc1ccc(CC[C@H](C)[N@H+]2CCC(=O)N(CCN3CCCCC3)CC2)cc1 ZINC000014991289 1399130202 /nfs/dbraw/zinc/13/02/02/1399130202.db2.gz RRPBGMZIZDQZRS-FQEVSTJZSA-N 1 3 387.568 3.037 50 0 GGAAHO COc1ccc(CC[C@H](C)[N@@H+]2CCC(=O)N(CCN3CCCCC3)CC2)cc1 ZINC000014991289 1399130203 /nfs/dbraw/zinc/13/02/03/1399130203.db2.gz RRPBGMZIZDQZRS-FQEVSTJZSA-N 1 3 387.568 3.037 50 0 GGAAHO CC[NH+](CC)C[C@H](O)COc1cc(CNCc2ccc(F)cc2)ccc1OC ZINC000015064806 1399136050 /nfs/dbraw/zinc/13/60/50/1399136050.db2.gz DADHSSNXWHQEGS-FQEVSTJZSA-N 1 3 390.499 3.206 50 0 GGAAHO Cc1ccc2c(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](CCCO)C3)ccnc2c1C ZINC000091664691 1410075126 /nfs/dbraw/zinc/07/51/26/1410075126.db2.gz JPFGMWNCPRXETD-IRLDBZIGSA-N 1 3 396.579 3.066 50 0 GGAAHO CC(C)CCN1CCN(Cc2ccc(C[NH+]3CCCC3)s2)C[C@H]1CCO ZINC000104626344 1410916962 /nfs/dbraw/zinc/91/69/62/1410916962.db2.gz RBMNDXYGGMWDPI-LJQANCHMSA-N 1 3 379.614 3.259 50 0 GGAAHO C[C@H]1CCCCN1C1CN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000426369941 231208503 /nfs/dbraw/zinc/20/85/03/231208503.db2.gz MZVBLRUWKBXPAF-IBGZPJMESA-N 1 3 384.568 3.167 50 0 GGAAHO CC[NH+]1CCC(N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)CC1 ZINC000019228859 210234299 /nfs/dbraw/zinc/23/42/99/210234299.db2.gz MKHGIGNYXPVHIR-JOCHJYFZSA-N 1 3 391.003 3.411 50 0 GGAAHO CC(C)N(C)C(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000019223313 210232601 /nfs/dbraw/zinc/23/26/01/210232601.db2.gz VMNOTYFZCHOOCG-NRFANRHFSA-N 1 3 383.580 3.197 50 0 GGAAHO CCN1CCC[C@H]1CNC(=O)CCC1CC[NH+](CCCC(F)(F)F)CC1 ZINC000015079655 210151735 /nfs/dbraw/zinc/15/17/35/210151735.db2.gz WVJYPGPJOSLSTR-KRWDZBQOSA-N 1 3 377.495 3.422 50 0 GGAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C1=CCCCC1 ZINC000015077935 210151351 /nfs/dbraw/zinc/15/13/51/210151351.db2.gz OGCKQGXULIGXDJ-QFIPXVFZSA-N 1 3 391.600 3.158 50 0 GGAAHO CCN1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccsc1 ZINC000015064361 210146568 /nfs/dbraw/zinc/14/65/68/210146568.db2.gz AEJARCLUBZFASQ-HXUWFJFHSA-N 1 3 393.597 3.033 50 0 GGAAHO O=C(NCc1cccnc1)[C@@H]1CCCN(C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000015065042 210145036 /nfs/dbraw/zinc/14/50/36/210145036.db2.gz YBBUTNNPHGABJB-JOCHJYFZSA-N 1 3 398.595 3.455 50 0 GGAAHO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(CC3CCCCC3)CC2)C1 ZINC000015065042 210145040 /nfs/dbraw/zinc/14/50/40/210145040.db2.gz YBBUTNNPHGABJB-JOCHJYFZSA-N 1 3 398.595 3.455 50 0 GGAAHO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCN(CC3CCCCC3)CC2)C1 ZINC000015065042 210145045 /nfs/dbraw/zinc/14/50/45/210145045.db2.gz YBBUTNNPHGABJB-JOCHJYFZSA-N 1 3 398.595 3.455 50 0 GGAAHO O=C(NCc1cccnc1)[C@H]1CCCN(C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000015065043 210145779 /nfs/dbraw/zinc/14/57/79/210145779.db2.gz YBBUTNNPHGABJB-QFIPXVFZSA-N 1 3 398.595 3.455 50 0 GGAAHO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(CC3CCCCC3)CC2)C1 ZINC000015065043 210145786 /nfs/dbraw/zinc/14/57/86/210145786.db2.gz YBBUTNNPHGABJB-QFIPXVFZSA-N 1 3 398.595 3.455 50 0 GGAAHO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCN(CC3CCCCC3)CC2)C1 ZINC000015065043 210145790 /nfs/dbraw/zinc/14/57/90/210145790.db2.gz YBBUTNNPHGABJB-QFIPXVFZSA-N 1 3 398.595 3.455 50 0 GGAAHO C[N@H+](CCC1CCOCC1)Cc1ccc(OC[C@H](O)CN2CCCCC2)cc1 ZINC000014964366 210135333 /nfs/dbraw/zinc/13/53/33/210135333.db2.gz YGFVBYXICWUXRH-JOCHJYFZSA-N 1 3 390.568 3.161 50 0 GGAAHO C[N@@H+](CCC1CCOCC1)Cc1ccc(OC[C@H](O)CN2CCCCC2)cc1 ZINC000014964366 210135338 /nfs/dbraw/zinc/13/53/38/210135338.db2.gz YGFVBYXICWUXRH-JOCHJYFZSA-N 1 3 390.568 3.161 50 0 GGAAHO COc1ccccc1CC[NH2+]Cc1ccccc1OC[C@@H](O)CN1CCCCC1 ZINC000012752889 210001647 /nfs/dbraw/zinc/00/16/47/210001647.db2.gz QWKHCDJGSKAXGE-QFIPXVFZSA-N 1 3 398.547 3.253 50 0 GGAAHO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)C1CCN(Cc2ccco2)CC1 ZINC000012761982 210003273 /nfs/dbraw/zinc/00/32/73/210003273.db2.gz PSWDTEXPIGEWLK-QFIPXVFZSA-N 1 3 395.547 3.315 50 0 GGAAHO O=C(N[C@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCN(Cc2ccco2)CC1 ZINC000012761982 210003275 /nfs/dbraw/zinc/00/32/75/210003275.db2.gz PSWDTEXPIGEWLK-QFIPXVFZSA-N 1 3 395.547 3.315 50 0 GGAAHO C[N@H+](CCc1ccccn1)Cc1ccc2c(c1)CN(C1CCOCC1)CCO2 ZINC000299785741 212037743 /nfs/dbraw/zinc/03/77/43/212037743.db2.gz KGXUIBMJAPQTDM-UHFFFAOYSA-N 1 3 381.520 3.130 50 0 GGAAHO C[N@@H+](CCc1ccccn1)Cc1ccc2c(c1)CN(C1CCOCC1)CCO2 ZINC000299785741 212037747 /nfs/dbraw/zinc/03/77/47/212037747.db2.gz KGXUIBMJAPQTDM-UHFFFAOYSA-N 1 3 381.520 3.130 50 0 GGAAHO OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCC12CC[NH+](C1CCOCC1)CC2 ZINC000097785422 211373187 /nfs/dbraw/zinc/37/31/87/211373187.db2.gz FIDXHKXJMZMELL-IBGZPJMESA-N 1 3 392.971 3.415 50 0 GGAAHO CSCCC[N@@H+]1CCC2(CCN(Cc3cccc(O)c3)CC2)[C@H](CO)C1 ZINC000097742636 211371760 /nfs/dbraw/zinc/37/17/60/211371760.db2.gz VBYBDSJQACDUJS-IBGZPJMESA-N 1 3 378.582 3.042 50 0 GGAAHO CSCCC[N@H+]1CCC2(CCN(Cc3cccc(O)c3)CC2)[C@H](CO)C1 ZINC000097742636 211371763 /nfs/dbraw/zinc/37/17/63/211371763.db2.gz VBYBDSJQACDUJS-IBGZPJMESA-N 1 3 378.582 3.042 50 0 GGAAHO COc1ccc(C[NH+]2CCCCCC2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000095518502 211264118 /nfs/dbraw/zinc/26/41/18/211264118.db2.gz RVUOMWZZEOMLHI-FQEVSTJZSA-N 1 3 376.541 3.297 50 0 GGAAHO C[N@@H+]1CC[C@H](CN2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)C1 ZINC000095530260 211274850 /nfs/dbraw/zinc/27/48/50/211274850.db2.gz LKWXJPQFASEYOI-SFHVURJKSA-N 1 3 375.944 3.106 50 0 GGAAHO C[N@H+]1CC[C@H](CN2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)C1 ZINC000095530260 211274854 /nfs/dbraw/zinc/27/48/54/211274854.db2.gz LKWXJPQFASEYOI-SFHVURJKSA-N 1 3 375.944 3.106 50 0 GGAAHO C[N@@H+]1CC[C@@H](CN2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)C1 ZINC000095530261 211274691 /nfs/dbraw/zinc/27/46/91/211274691.db2.gz LKWXJPQFASEYOI-GOSISDBHSA-N 1 3 375.944 3.106 50 0 GGAAHO C[N@H+]1CC[C@@H](CN2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)C1 ZINC000095530261 211274695 /nfs/dbraw/zinc/27/46/95/211274695.db2.gz LKWXJPQFASEYOI-GOSISDBHSA-N 1 3 375.944 3.106 50 0 GGAAHO COc1ccc(CN2CCC(C)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095525867 211273152 /nfs/dbraw/zinc/27/31/52/211273152.db2.gz PIKJILFXYHDWOI-HXUWFJFHSA-N 1 3 376.541 3.153 50 0 GGAAHO O[C@@H](COc1ccc(C[NH+]2CCC(F)CC2)cc1)CN1CCc2ccccc2C1 ZINC000095524959 211270189 /nfs/dbraw/zinc/27/01/89/211270189.db2.gz GRTYHVFBFYVOAK-HSZRJFAPSA-N 1 3 398.522 3.419 50 0 GGAAHO O[C@H](COc1cccc(C[NH+]2CCC(F)CC2)c1)CN1CCc2ccccc2C1 ZINC000095510077 211260683 /nfs/dbraw/zinc/26/06/83/211260683.db2.gz SQSMICTUQJFAIW-QHCPKHFHSA-N 1 3 398.522 3.419 50 0 GGAAHO CC(C)C[NH+]1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000095509357 211260805 /nfs/dbraw/zinc/26/08/05/211260805.db2.gz MGAXEPKKDPGNJD-UHFFFAOYSA-N 1 3 381.948 3.131 50 0 GGAAHO COc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1OC[C@H](O)CN1CCCC1 ZINC000095506156 211258332 /nfs/dbraw/zinc/25/83/32/211258332.db2.gz LWMGHJXZHCQIEC-HXUWFJFHSA-N 1 3 388.552 3.297 50 0 GGAAHO COc1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1OC[C@H](O)CN1CCCC1 ZINC000095506156 211258337 /nfs/dbraw/zinc/25/83/37/211258337.db2.gz LWMGHJXZHCQIEC-HXUWFJFHSA-N 1 3 388.552 3.297 50 0 GGAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C(C)(C)C ZINC000095507140 211256911 /nfs/dbraw/zinc/25/69/11/211256911.db2.gz BKALHNNAZWZHHV-SFHVURJKSA-N 1 3 377.548 3.474 50 0 GGAAHO CC[NH+](CC)C[C@@H](O)COc1ccc(CN2CCC(C)(C)CC2)cc1OC ZINC000095500660 211253796 /nfs/dbraw/zinc/25/37/96/211253796.db2.gz NDNBSRWYXBXNRK-LJQANCHMSA-N 1 3 378.557 3.399 50 0 GGAAHO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)C1CCN(Cc2ccco2)CC1 ZINC000095376212 211229591 /nfs/dbraw/zinc/22/95/91/211229591.db2.gz SBBLXMLFUADDDX-NRFANRHFSA-N 1 3 381.520 3.097 50 0 GGAAHO O=C(NCC[N@H+]1CC[C@H](c2ccccc2)C1)C1CCN(Cc2ccco2)CC1 ZINC000095376212 211229594 /nfs/dbraw/zinc/22/95/94/211229594.db2.gz SBBLXMLFUADDDX-NRFANRHFSA-N 1 3 381.520 3.097 50 0 GGAAHO Cc1c2cc(C)ccc2oc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](CCCO)C1 ZINC000095363937 211225038 /nfs/dbraw/zinc/22/50/38/211225038.db2.gz YUHPLDWVQRVAPY-IRLDBZIGSA-N 1 3 399.579 3.260 50 0 GGAAHO Cn1c(CN2CCCCCC2)cc(=O)c(O)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000079478959 211156370 /nfs/dbraw/zinc/15/63/70/211156370.db2.gz GICYDVWKBALANL-HXUWFJFHSA-N 1 3 395.547 3.456 50 0 GGAAHO Cn1c(CN2CCCCCC2)cc(=O)c(O)c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000079478959 211156374 /nfs/dbraw/zinc/15/63/74/211156374.db2.gz GICYDVWKBALANL-HXUWFJFHSA-N 1 3 395.547 3.456 50 0 GGAAHO CN1CCC(Nc2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)CC1 ZINC000072423967 211116624 /nfs/dbraw/zinc/11/66/24/211116624.db2.gz JNCRWTUXYAFXTO-UHFFFAOYSA-N 1 3 385.943 3.306 50 0 GGAAHO Fc1ccc(OCCCN2CC[NH+](C[C@@H]3CCCN4CCCC[C@H]34)CC2)cc1 ZINC000072125374 211071712 /nfs/dbraw/zinc/07/17/12/211071712.db2.gz ROMKXFOESYPWLN-NZQKXSOJSA-N 1 3 389.559 3.477 50 0 GGAAHO CC(C)(C)CC[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071754765 211057983 /nfs/dbraw/zinc/05/79/83/211057983.db2.gz WQPNFRBBFHKNRZ-HXUWFJFHSA-N 1 3 386.584 3.310 50 0 GGAAHO CC(C)(C)CCN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071754765 211057989 /nfs/dbraw/zinc/05/79/89/211057989.db2.gz WQPNFRBBFHKNRZ-HXUWFJFHSA-N 1 3 386.584 3.310 50 0 GGAAHO CC(C)(C)CCN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071754765 211057994 /nfs/dbraw/zinc/05/79/94/211057994.db2.gz WQPNFRBBFHKNRZ-HXUWFJFHSA-N 1 3 386.584 3.310 50 0 GGAAHO CCC[N@H+](C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21 ZINC000071479641 211049568 /nfs/dbraw/zinc/04/95/68/211049568.db2.gz NFAYCMDTZRITPA-UHFFFAOYSA-N 1 3 397.567 3.267 50 0 GGAAHO CCC[N@@H+](C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21 ZINC000071479641 211049571 /nfs/dbraw/zinc/04/95/71/211049571.db2.gz NFAYCMDTZRITPA-UHFFFAOYSA-N 1 3 397.567 3.267 50 0 GGAAHO CC(C)(C)CC[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000067818528 211023444 /nfs/dbraw/zinc/02/34/44/211023444.db2.gz QZIFCAPHPOFGKY-LJQANCHMSA-N 1 3 386.584 3.310 50 0 GGAAHO CC(C)(C)CCN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000067818528 211023446 /nfs/dbraw/zinc/02/34/46/211023446.db2.gz QZIFCAPHPOFGKY-LJQANCHMSA-N 1 3 386.584 3.310 50 0 GGAAHO CC(C)(C)CCN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000067818528 211023448 /nfs/dbraw/zinc/02/34/48/211023448.db2.gz QZIFCAPHPOFGKY-LJQANCHMSA-N 1 3 386.584 3.310 50 0 GGAAHO CC(C)CCN1CCN(C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1CCO ZINC000020599475 210349884 /nfs/dbraw/zinc/34/98/84/210349884.db2.gz UMKAKLZTCBLTPF-DEOSSOPVSA-N 1 3 387.612 3.108 50 0 GGAAHO Cc1nc(CCNC(=O)[C@@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)sc1C ZINC000020210276 210320563 /nfs/dbraw/zinc/32/05/63/210320563.db2.gz MHWZLDHRCDMCHH-GOSISDBHSA-N 1 3 392.613 3.003 50 0 GGAAHO O=C(NC1CCC1)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000011839844 221130537 /nfs/dbraw/zinc/13/05/37/221130537.db2.gz FKUSRTFAFZCCKA-UHFFFAOYSA-N 1 3 383.580 3.464 50 0 GGAAHO Cc1cc(N2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000222352570 136204738 /nfs/dbraw/zinc/20/47/38/136204738.db2.gz UMJSIFHMEJFIII-QFIPXVFZSA-N 1 3 378.520 3.012 50 0 GGAAHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc2c(c1)CCCC2 ZINC000051759335 570410337 /nfs/dbraw/zinc/41/03/37/570410337.db2.gz WWPHKUNMGCGTIP-SFHVURJKSA-N 1 3 398.595 3.484 50 0 GGAAHO CC(C)CNC(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000011753894 570581587 /nfs/dbraw/zinc/58/15/87/570581587.db2.gz SMCGLIQUNNXJEX-NRFANRHFSA-N 1 3 383.580 3.102 50 0 GGAAHO C[C@H](CC1CC1)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012308271 570640120 /nfs/dbraw/zinc/64/01/20/570640120.db2.gz AMXRBKZUKXTYDH-GOSISDBHSA-N 1 3 384.568 3.063 50 0 GGAAHO COc1ccc(C[N@H+](C)C(C)C)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012386141 570650749 /nfs/dbraw/zinc/65/07/49/570650749.db2.gz MMRVHWHSGQIAGO-NRFANRHFSA-N 1 3 386.536 3.407 50 0 GGAAHO COc1ccc(C[N@@H+](C)C(C)C)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012386141 570650751 /nfs/dbraw/zinc/65/07/51/570650751.db2.gz MMRVHWHSGQIAGO-NRFANRHFSA-N 1 3 386.536 3.407 50 0 GGAAHO COc1ccc(C[N@H+](C)C(C)C)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012386142 570651013 /nfs/dbraw/zinc/65/10/13/570651013.db2.gz MMRVHWHSGQIAGO-OAQYLSRUSA-N 1 3 386.536 3.407 50 0 GGAAHO COc1ccc(C[N@@H+](C)C(C)C)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012386142 570651016 /nfs/dbraw/zinc/65/10/16/570651016.db2.gz MMRVHWHSGQIAGO-OAQYLSRUSA-N 1 3 386.536 3.407 50 0 GGAAHO COc1ccc(CNCc2cccc(C)c2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012459096 570670244 /nfs/dbraw/zinc/67/02/44/570670244.db2.gz LQBRGOQHWJTWMX-OAQYLSRUSA-N 1 3 386.536 3.373 50 0 GGAAHO COc1ccc(CNCc2cccc(C)c2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012459096 570670246 /nfs/dbraw/zinc/67/02/46/570670246.db2.gz LQBRGOQHWJTWMX-OAQYLSRUSA-N 1 3 386.536 3.373 50 0 GGAAHO CC(C)=CC(=O)N(CC[NH+](C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000012459376 570670335 /nfs/dbraw/zinc/67/03/35/570670335.db2.gz MZCUISOPMXSSIH-IBGZPJMESA-N 1 3 375.532 3.394 50 0 GGAAHO CC(C)OCC[NH2+]Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 ZINC000012573411 570681954 /nfs/dbraw/zinc/68/19/54/570681954.db2.gz PWWYQJAZFWTJRD-QFIPXVFZSA-N 1 3 386.536 3.073 50 0 GGAAHO COc1ccc(C[N@H+](C)CCC(C)C)cc1OC[C@H](O)CN1CCCCC1 ZINC000012713871 570703889 /nfs/dbraw/zinc/70/38/89/570703889.db2.gz AXKWOBOLDZIHLP-HXUWFJFHSA-N 1 3 378.557 3.399 50 0 GGAAHO COc1ccc(C[N@@H+](C)CCC(C)C)cc1OC[C@H](O)CN1CCCCC1 ZINC000012713871 570703891 /nfs/dbraw/zinc/70/38/91/570703891.db2.gz AXKWOBOLDZIHLP-HXUWFJFHSA-N 1 3 378.557 3.399 50 0 GGAAHO Cc1ccc(C2(CN3CCC[C@H](C(=O)c4cccnc4)C3)CC[NH2+]CC2)nc1 ZINC000065461035 570769777 /nfs/dbraw/zinc/76/97/77/570769777.db2.gz RRLVRNRFVPWKQU-FQEVSTJZSA-N 1 3 378.520 3.001 50 0 GGAAHO O=C(NC1(C[NH+]2CCCCC2)CCCCC1)N1CCN(c2ccncc2)CC1 ZINC000534672334 570921249 /nfs/dbraw/zinc/92/12/49/570921249.db2.gz SFUFBSXMHCUDLZ-UHFFFAOYSA-N 1 3 385.556 3.102 50 0 GGAAHO COc1ccc(CNCc2ccc(C)cc2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012703691 1399054508 /nfs/dbraw/zinc/05/45/08/1399054508.db2.gz IPIHLUPDZBKACM-NRFANRHFSA-N 1 3 386.536 3.373 50 0 GGAAHO COc1ccc(CNCc2ccc(C)cc2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012703691 1399054516 /nfs/dbraw/zinc/05/45/16/1399054516.db2.gz IPIHLUPDZBKACM-NRFANRHFSA-N 1 3 386.536 3.373 50 0 GGAAHO CSCCC[NH2+]Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 ZINC000012745928 1399057537 /nfs/dbraw/zinc/05/75/37/1399057537.db2.gz ZLSRPBLADGFZEK-NRFANRHFSA-N 1 3 388.577 3.401 50 0 GGAAHO COc1ccc(CC[C@@H](C)[N@H+]2CCC(=O)N(CCN3CCCCC3)CC2)cc1 ZINC000014991287 1399130306 /nfs/dbraw/zinc/13/03/06/1399130306.db2.gz RRPBGMZIZDQZRS-HXUWFJFHSA-N 1 3 387.568 3.037 50 0 GGAAHO COc1ccc(CC[C@@H](C)[N@@H+]2CCC(=O)N(CCN3CCCCC3)CC2)cc1 ZINC000014991287 1399130310 /nfs/dbraw/zinc/13/03/10/1399130310.db2.gz RRPBGMZIZDQZRS-HXUWFJFHSA-N 1 3 387.568 3.037 50 0 GGAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CNCc2ccc(F)cc2)ccc1OC ZINC000015064805 1399135849 /nfs/dbraw/zinc/13/58/49/1399135849.db2.gz DADHSSNXWHQEGS-HXUWFJFHSA-N 1 3 390.499 3.206 50 0 GGAAHO COCC[N@H+](CCCn1cccn1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000020450969 1399346381 /nfs/dbraw/zinc/34/63/81/1399346381.db2.gz VXYLPTATPZOSOA-OAQYLSRUSA-N 1 3 396.579 3.101 50 0 GGAAHO COCC[N@@H+](CCCn1cccn1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000020450969 1399346384 /nfs/dbraw/zinc/34/63/84/1399346384.db2.gz VXYLPTATPZOSOA-OAQYLSRUSA-N 1 3 396.579 3.101 50 0 GGAAHO COCCN(CCCn1cccn1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020450969 1399346390 /nfs/dbraw/zinc/34/63/90/1399346390.db2.gz VXYLPTATPZOSOA-OAQYLSRUSA-N 1 3 396.579 3.101 50 0 GGAAHO COCCN(CCCn1cccn1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020450969 1399346392 /nfs/dbraw/zinc/34/63/92/1399346392.db2.gz VXYLPTATPZOSOA-OAQYLSRUSA-N 1 3 396.579 3.101 50 0 GGAAHO Cc1cc(C)c(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1C ZINC000020777651 1399353232 /nfs/dbraw/zinc/35/32/32/1399353232.db2.gz HBENQHRSJBYMBA-DEOSSOPVSA-N 1 3 387.612 3.353 50 0 GGAAHO CC(C)CN1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@@H]1CCO ZINC000022933000 1399518484 /nfs/dbraw/zinc/51/84/84/1399518484.db2.gz QVTBXNXASSAIRN-IBGZPJMESA-N 1 3 379.614 3.259 50 0 GGAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccc(C(C)=O)c2)CC1 ZINC000011815052 221127514 /nfs/dbraw/zinc/12/75/14/221127514.db2.gz OCLNALATZDDVCF-HSZRJFAPSA-N 1 3 399.579 3.482 50 0 GGAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cccc(C(C)=O)c2)CC1 ZINC000011815052 221127517 /nfs/dbraw/zinc/12/75/17/221127517.db2.gz OCLNALATZDDVCF-HSZRJFAPSA-N 1 3 399.579 3.482 50 0 GGAAHO COc1cc(C[NH2+]CCCc2ccccc2)ccc1OC[C@H](O)CN1CCCC1 ZINC000011874382 221135014 /nfs/dbraw/zinc/13/50/14/221135014.db2.gz SNKYRGTXBKWPKE-JOCHJYFZSA-N 1 3 398.547 3.253 50 0 GGAAHO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(CC3CCCC3)CC2)C1 ZINC000011664984 221120078 /nfs/dbraw/zinc/12/00/78/221120078.db2.gz XEQOSKOABJBWML-FQEVSTJZSA-N 1 3 384.568 3.064 50 0 GGAAHO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(CC3CCCC3)CC2)C1 ZINC000011664984 221120080 /nfs/dbraw/zinc/12/00/80/221120080.db2.gz XEQOSKOABJBWML-FQEVSTJZSA-N 1 3 384.568 3.064 50 0 GGAAHO CN1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)(c2ccccc2)CC1 ZINC000011951392 221140169 /nfs/dbraw/zinc/14/01/69/221140169.db2.gz YUVSDJJAHNXZMB-DEOSSOPVSA-N 1 3 395.591 3.375 50 0 GGAAHO CN1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)(c2ccccc2)CC1 ZINC000011951392 221140171 /nfs/dbraw/zinc/14/01/71/221140171.db2.gz YUVSDJJAHNXZMB-DEOSSOPVSA-N 1 3 395.591 3.375 50 0 GGAAHO CN(C(=O)CC[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000012026858 221143580 /nfs/dbraw/zinc/14/35/80/221143580.db2.gz XZEUBDSFLVVPGD-GOSISDBHSA-N 1 3 375.532 3.371 50 0 GGAAHO CCOCCCNCc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012052606 221144734 /nfs/dbraw/zinc/14/47/34/221144734.db2.gz VZHJYXDIACOAJT-OAQYLSRUSA-N 1 3 378.557 3.207 50 0 GGAAHO CCOCCCNCc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012052606 221144737 /nfs/dbraw/zinc/14/47/37/221144737.db2.gz VZHJYXDIACOAJT-OAQYLSRUSA-N 1 3 378.557 3.207 50 0 GGAAHO CN(C(=O)CC[C@H]1CCCN(Cc2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000012093113 221150227 /nfs/dbraw/zinc/15/02/27/221150227.db2.gz GUYVKPNZTQZVRI-GOSISDBHSA-N 1 3 375.532 3.371 50 0 GGAAHO CN(C(=O)CC[C@@H]1CCCN(Cc2ccccc2F)C1)C1CC[NH+](C)CC1 ZINC000012093111 221150703 /nfs/dbraw/zinc/15/07/03/221150703.db2.gz GUYVKPNZTQZVRI-SFHVURJKSA-N 1 3 375.532 3.371 50 0 GGAAHO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CNCc2cccnc2)cc1 ZINC000012297318 221176067 /nfs/dbraw/zinc/17/60/67/221176067.db2.gz XDEBFMTYUAKLPR-QHCPKHFHSA-N 1 3 391.515 3.243 50 0 GGAAHO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CNCc2cccnc2)cc1 ZINC000012297318 221176071 /nfs/dbraw/zinc/17/60/71/221176071.db2.gz XDEBFMTYUAKLPR-QHCPKHFHSA-N 1 3 391.515 3.243 50 0 GGAAHO C[C@@H](CC1CC1)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012308270 221180189 /nfs/dbraw/zinc/18/01/89/221180189.db2.gz AMXRBKZUKXTYDH-SFHVURJKSA-N 1 3 384.568 3.063 50 0 GGAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CNCc2ccc(C)s2)ccc1OC ZINC000012316088 221180879 /nfs/dbraw/zinc/18/08/79/221180879.db2.gz QYLOPIJTEBBMFZ-GOSISDBHSA-N 1 3 392.565 3.436 50 0 GGAAHO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC000012430285 221191137 /nfs/dbraw/zinc/19/11/37/221191137.db2.gz GFKOLNSWUVORLP-HXUWFJFHSA-N 1 3 396.579 3.231 50 0 GGAAHO CC[NH+](CC)C[C@@H](O)COc1ccc(CNCc2ccc(F)cc2)cc1OC ZINC000012438227 221192792 /nfs/dbraw/zinc/19/27/92/221192792.db2.gz BPGROSDAPWBICC-HXUWFJFHSA-N 1 3 390.499 3.206 50 0 GGAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCc3ccc(F)c(F)c3)C2)CC1 ZINC000012432892 221193384 /nfs/dbraw/zinc/19/33/84/221193384.db2.gz YXTWXHBHZPTRRI-KRWDZBQOSA-N 1 3 379.495 3.166 50 0 GGAAHO CC(C)=CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000012459375 221198898 /nfs/dbraw/zinc/19/88/98/221198898.db2.gz MZCUISOPMXSSIH-LJQANCHMSA-N 1 3 375.532 3.394 50 0 GGAAHO Cc1ccc(F)cc1CNC(=O)[C@@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000012709082 221219304 /nfs/dbraw/zinc/21/93/04/221219304.db2.gz JZJIFWWUXXOWGN-GOSISDBHSA-N 1 3 375.532 3.335 50 0 GGAAHO Cc1ccc(F)cc1CNC(=O)[C@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000012709089 221219888 /nfs/dbraw/zinc/21/98/88/221219888.db2.gz JZJIFWWUXXOWGN-SFHVURJKSA-N 1 3 375.532 3.335 50 0 GGAAHO C[N@H+](CCC1CCOCC1)Cc1ccc(OC[C@@H](O)CN2CCCCC2)cc1 ZINC000014964362 221321826 /nfs/dbraw/zinc/32/18/26/221321826.db2.gz YGFVBYXICWUXRH-QFIPXVFZSA-N 1 3 390.568 3.161 50 0 GGAAHO C[N@@H+](CCC1CCOCC1)Cc1ccc(OC[C@@H](O)CN2CCCCC2)cc1 ZINC000014964362 221321831 /nfs/dbraw/zinc/32/18/31/221321831.db2.gz YGFVBYXICWUXRH-QFIPXVFZSA-N 1 3 390.568 3.161 50 0 GGAAHO c1cc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)nc(SCCN2CCCC2)n1 ZINC000015001907 221326333 /nfs/dbraw/zinc/32/63/33/221326333.db2.gz SIGRKKNVKZBRCI-QGZVFWFLSA-N 1 3 376.570 3.023 50 0 GGAAHO c1cc([C@@H]2CCC[N@H+](C3CCOCC3)C2)nc(SCCN2CCCC2)n1 ZINC000015001907 221326336 /nfs/dbraw/zinc/32/63/36/221326336.db2.gz SIGRKKNVKZBRCI-QGZVFWFLSA-N 1 3 376.570 3.023 50 0 GGAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccsc1 ZINC000015064362 221328057 /nfs/dbraw/zinc/32/80/57/221328057.db2.gz AEJARCLUBZFASQ-FQEVSTJZSA-N 1 3 393.597 3.033 50 0 GGAAHO CCN(CC)CC(=O)N(C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000015077268 221331151 /nfs/dbraw/zinc/33/11/51/221331151.db2.gz WUHNRTUBTAHFMA-UHFFFAOYSA-N 1 3 379.976 3.395 50 0 GGAAHO CC1(C)CC([NH2+]C2CCN(c3cccc(N4CCNC4=O)c3)CC2)CC(C)(C)N1 ZINC000063835598 136156573 /nfs/dbraw/zinc/15/65/73/136156573.db2.gz BXSTWYHNODWUQY-UHFFFAOYSA-N 1 3 399.583 3.084 50 0 GGAAHO Cc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c2ccccc2n1 ZINC000106994601 136191644 /nfs/dbraw/zinc/19/16/44/136191644.db2.gz KVFIYTSVTKZKTQ-NRFANRHFSA-N 1 3 396.579 3.289 50 0 GGAAHO CC(C)CCC[NH+]1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071551867 222186301 /nfs/dbraw/zinc/18/63/01/222186301.db2.gz OKTKEMDTUKOIED-NRFANRHFSA-N 1 3 386.584 3.310 50 0 GGAAHO CCCN(C)C(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071721464 222188627 /nfs/dbraw/zinc/18/86/27/222188627.db2.gz YKAMYWXCEPFAOI-NRFANRHFSA-N 1 3 383.580 3.199 50 0 GGAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)N(C)Cc3nc4ccccc4[nH]3)C2)CC1 ZINC000071762020 222194118 /nfs/dbraw/zinc/19/41/18/222194118.db2.gz HXANUSBHYBPGJB-GOSISDBHSA-N 1 3 397.567 3.106 50 0 GGAAHO c1cn(CC[N@@H+]2CCC[C@H](c3ccccc3)C2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072424995 222259084 /nfs/dbraw/zinc/25/90/84/222259084.db2.gz KNFTUMZHPFTSAW-FQEVSTJZSA-N 1 3 390.535 3.120 50 0 GGAAHO c1cn(CC[N@H+]2CCC[C@H](c3ccccc3)C2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072424995 222259087 /nfs/dbraw/zinc/25/90/87/222259087.db2.gz KNFTUMZHPFTSAW-FQEVSTJZSA-N 1 3 390.535 3.120 50 0 GGAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C(C)(C)C ZINC000095507139 222339553 /nfs/dbraw/zinc/33/95/53/222339553.db2.gz BKALHNNAZWZHHV-GOSISDBHSA-N 1 3 377.548 3.474 50 0 GGAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CC=CC1 ZINC000095518290 222344198 /nfs/dbraw/zinc/34/41/98/222344198.db2.gz DSKQFNZWPFJABY-LJQANCHMSA-N 1 3 387.543 3.394 50 0 GGAAHO COc1ccc(C[NH+]2CCCCCC2)cc1OC[C@H](O)CN1CCCCC1 ZINC000095518501 222344371 /nfs/dbraw/zinc/34/43/71/222344371.db2.gz RVUOMWZZEOMLHI-HXUWFJFHSA-N 1 3 376.541 3.297 50 0 GGAAHO CC[NH+](CC)C[C@H](O)COc1ccc(CN2CCCCC23CC3)cc1OC ZINC000095520310 222346316 /nfs/dbraw/zinc/34/63/16/222346316.db2.gz NLJAZDXEASWKDM-IBGZPJMESA-N 1 3 376.541 3.295 50 0 GGAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[N@H+](C)C2CCOCC2)cc1 ZINC000095528900 222353645 /nfs/dbraw/zinc/35/36/45/222353645.db2.gz DQZHNZHFVAJOQJ-QHCPKHFHSA-N 1 3 398.547 3.169 50 0 GGAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[N@@H+](C)C2CCOCC2)cc1 ZINC000095528900 222353649 /nfs/dbraw/zinc/35/36/49/222353649.db2.gz DQZHNZHFVAJOQJ-QHCPKHFHSA-N 1 3 398.547 3.169 50 0 GGAAHO CC[NH+](CC)C[C@@H](O)COc1ccc(CN2CCCCC23CC3)cc1OC ZINC000095520311 222345882 /nfs/dbraw/zinc/34/58/82/222345882.db2.gz NLJAZDXEASWKDM-LJQANCHMSA-N 1 3 376.541 3.295 50 0 GGAAHO Cc1ccc(CN2CCC3(CC2)CC[N@@H+](C2CCOCC2)C[C@H]3CO)s1 ZINC000097294847 570241119 /nfs/dbraw/zinc/24/11/19/570241119.db2.gz NHUKUOFJOGTQBJ-SFHVURJKSA-N 1 3 378.582 3.132 50 0 GGAAHO Cc1ccc(CN2CCC3(CC2)CC[N@H+](C2CCOCC2)C[C@H]3CO)s1 ZINC000097294847 570241126 /nfs/dbraw/zinc/24/11/26/570241126.db2.gz NHUKUOFJOGTQBJ-SFHVURJKSA-N 1 3 378.582 3.132 50 0 GGAAHO Cc1n[nH]c(C)c1CN1CCC2(CC[NH+](Cc3ccccc3)CC2)[C@@H](CO)C1 ZINC000097436968 570243862 /nfs/dbraw/zinc/24/38/62/570243862.db2.gz JBRBZLLNPHZZKV-OAQYLSRUSA-N 1 3 382.552 3.123 50 0 GGAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCc3cccc4[nH]ccc43)C2)CC1 ZINC000020202653 570247528 /nfs/dbraw/zinc/24/75/28/570247528.db2.gz KBJBNRSDGRQODF-IBGZPJMESA-N 1 3 382.552 3.369 50 0 GGAAHO CSCCC[N@@H+]1CCC2(CCN(Cc3cccc(O)c3)CC2)[C@@H](CO)C1 ZINC000097742637 570252643 /nfs/dbraw/zinc/25/26/43/570252643.db2.gz VBYBDSJQACDUJS-LJQANCHMSA-N 1 3 378.582 3.042 50 0 GGAAHO CSCCC[N@H+]1CCC2(CCN(Cc3cccc(O)c3)CC2)[C@@H](CO)C1 ZINC000097742637 570252644 /nfs/dbraw/zinc/25/26/44/570252644.db2.gz VBYBDSJQACDUJS-LJQANCHMSA-N 1 3 378.582 3.042 50 0 GGAAHO C[NH+](C)[C@@H]1c2ccccc2C2(CCN(Cc3ccc4c(c3)CCO4)CC2)[C@H]1O ZINC000020858246 570282335 /nfs/dbraw/zinc/28/23/35/570282335.db2.gz AHIMTNOPJQHUHL-PKTZIBPZSA-N 1 3 378.516 3.133 50 0 GGAAHO C[N@H+](C[C@H](O)COc1ccccc1CNCCc1ccncc1)C1CCCCC1 ZINC000023338601 570355433 /nfs/dbraw/zinc/35/54/33/570355433.db2.gz NTXLPTMUWSEERL-QHCPKHFHSA-N 1 3 397.563 3.418 50 0 GGAAHO C[N@@H+](C[C@H](O)COc1ccccc1CNCCc1ccncc1)C1CCCCC1 ZINC000023338601 570355435 /nfs/dbraw/zinc/35/54/35/570355435.db2.gz NTXLPTMUWSEERL-QHCPKHFHSA-N 1 3 397.563 3.418 50 0 GGAAHO C[NH+](C)CCCOc1cccc(CN2CCC[C@@H](CCC(=O)NC3CC3)C2)c1 ZINC000039552054 570593581 /nfs/dbraw/zinc/59/35/81/570593581.db2.gz LMLNCEFVAGSUOW-IBGZPJMESA-N 1 3 387.568 3.288 50 0 GGAAHO COc1cc(C[NH2+]CCc2ccccc2C)ccc1OC[C@@H](O)CN1CCCC1 ZINC000015061983 570874514 /nfs/dbraw/zinc/87/45/14/570874514.db2.gz YMHRQXCUQFQOJL-QFIPXVFZSA-N 1 3 398.547 3.171 50 0 GGAAHO COc1cc(C[NH2+]CCc2ccccc2C)ccc1OC[C@H](O)CN1CCCC1 ZINC000015061985 570874758 /nfs/dbraw/zinc/87/47/58/570874758.db2.gz YMHRQXCUQFQOJL-JOCHJYFZSA-N 1 3 398.547 3.171 50 0 GGAAHO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000092037888 571041943 /nfs/dbraw/zinc/04/19/43/571041943.db2.gz PCHDNJIYHJBNKZ-JOCHJYFZSA-N 1 3 377.532 3.487 50 0 GGAAHO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000092037888 571041946 /nfs/dbraw/zinc/04/19/46/571041946.db2.gz PCHDNJIYHJBNKZ-JOCHJYFZSA-N 1 3 377.532 3.487 50 0 GGAAHO O=C(CN1CCCC1)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095366407 571058415 /nfs/dbraw/zinc/05/84/15/571058415.db2.gz DBWJLDBMYXFZHZ-OAQYLSRUSA-N 1 3 381.564 3.343 50 0 GGAAHO O=C(CN1CCCC1)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095366407 571058416 /nfs/dbraw/zinc/05/84/16/571058416.db2.gz DBWJLDBMYXFZHZ-OAQYLSRUSA-N 1 3 381.564 3.343 50 0 GGAAHO CCc1ccc(CN2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)o1 ZINC000012112011 1399030257 /nfs/dbraw/zinc/03/02/57/1399030257.db2.gz QJSIBTGBQYOQAE-SFHVURJKSA-N 1 3 375.557 3.387 50 0 GGAAHO O[C@@H](COc1cccc(C[NH2+]C2CCCCCCC2)c1)CN1CCC(O)CC1 ZINC000012299449 1399036469 /nfs/dbraw/zinc/03/64/69/1399036469.db2.gz VHRRETWGDZPJAB-JOCHJYFZSA-N 1 3 390.568 3.086 50 0 GGAAHO Cc1cnccc1CNCc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000012319617 1399039464 /nfs/dbraw/zinc/03/94/64/1399039464.db2.gz QGUPEGBVLJYTBM-JOCHJYFZSA-N 1 3 383.536 3.296 50 0 GGAAHO Cc1cc(N2C[C@H]3OC(=O)N(CCN4CCCCC4)[C@H]3C2)c2ccccc2[nH+]1 ZINC000012744147 1399057658 /nfs/dbraw/zinc/05/76/58/1399057658.db2.gz FXKRBIXFBSQNEQ-LEWJYISDSA-N 1 3 380.492 3.039 50 0 GGAAHO Cc1ncc2c(c1-c1noc([C@H]3CCCN(Cc4ccco4)C3)n1)CC[NH2+]C2 ZINC000019301117 1399329307 /nfs/dbraw/zinc/32/93/07/1399329307.db2.gz BNGWONYIOPJRRB-HNNXBMFYSA-N 1 3 379.464 3.058 50 0 GGAAHO CN(CCCn1cnc2ccccc2c1=O)CCC[N@H+](C)Cc1ccccc1 ZINC000020762416 1399352871 /nfs/dbraw/zinc/35/28/71/1399352871.db2.gz WBGNMKGEIHGTAE-UHFFFAOYSA-N 1 3 378.520 3.241 50 0 biogenic GGAAHO CN(CCCn1cnc2ccccc2c1=O)CCC[N@@H+](C)Cc1ccccc1 ZINC000020762416 1399352877 /nfs/dbraw/zinc/35/28/77/1399352877.db2.gz WBGNMKGEIHGTAE-UHFFFAOYSA-N 1 3 378.520 3.241 50 0 biogenic GGAAHO