smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C[C@@H](CC[C@H](C[NH+](C)C)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000002312761 855199113 /nfs/dbraw/zinc/19/91/13/855199113.db2.gz HIDLIUDTNBBUQM-FGZHOGPDSA-N 2 0 380.532 3.888 50 0 GHAARP COCC[N@@H+]1CCC[C@@]2(CCN(Cc3cc(C[NH+]4CCCCC4)cs3)C2)C1 ZINC000012073159 858787487 /nfs/dbraw/zinc/78/74/87/858787487.db2.gz PVNPRMWFDDWAMG-JOCHJYFZSA-N 3 0 391.625 3.668 50 0 GHAARP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000105112592 904875419 /nfs/dbraw/zinc/87/54/19/904875419.db2.gz KJYZAYSTJUMEPE-QHCPKHFHSA-N 2 0 398.595 3.619 50 0 GHAARP C[NH+](C)CCN(Cc1ccccc1)C(=O)C1CC[NH+](CC2CCCCC2)CC1 ZINC000015856027 1021291942 /nfs/dbraw/zinc/29/19/42/1021291942.db2.gz HCSNPEGDIWIOBY-UHFFFAOYSA-N 2 0 385.596 3.869 50 0 GHAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000012197338 204380446 /nfs/dbraw/zinc/38/04/46/204380446.db2.gz BGYQPOVWMDJWEM-QGZVFWFLSA-N 2 0 398.016 3.994 50 0 GHAARP O=c1oc2ccccc2c(N2CC[NH+](C3CCCCC3)CC2)c1C[NH+]1CCCC1 ZINC000016525258 204595911 /nfs/dbraw/zinc/59/59/11/204595911.db2.gz CIHWTPINWZQJTK-UHFFFAOYSA-N 2 0 395.547 3.844 50 0 GHAARP C[NH+](C)[C@@H]1c2ccccc2C2(CC[NH+](Cc3ccc4occc4c3)CC2)[C@H]1O ZINC000020863425 204742750 /nfs/dbraw/zinc/74/27/50/204742750.db2.gz YSECVTGBPVNGQF-PKTZIBPZSA-N 2 0 376.500 3.944 50 0 GHAARP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC000058174143 205168035 /nfs/dbraw/zinc/16/80/35/205168035.db2.gz QRQJQLJLGUHPAB-NRFANRHFSA-N 2 0 386.584 3.557 50 0 GHAARP O[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000071821745 205299467 /nfs/dbraw/zinc/29/94/67/205299467.db2.gz MTZSIZRFIRWRFF-FQEVSTJZSA-N 2 0 382.495 3.909 50 0 GHAARP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(OCCc3ccccc3)cc2)CC1 ZINC000072157107 205313701 /nfs/dbraw/zinc/31/37/01/205313701.db2.gz TVPZGXHSGUIFCP-DEOSSOPVSA-N 2 0 382.548 3.587 50 0 GHAARP Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@H]2CCC[NH2+]2)C2CCCC2)CC1 ZINC000095503284 205474630 /nfs/dbraw/zinc/47/46/30/205474630.db2.gz RMUUMJDAHGCQFR-XMMPIXPASA-N 2 0 397.607 3.773 50 0 GHAARP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1n1cncn1 ZINC000241326095 206125829 /nfs/dbraw/zinc/12/58/29/206125829.db2.gz LZGGPDVYWLRCKW-TYPHKJRUSA-N 2 0 385.556 3.518 50 0 GHAARP C[C@@H](c1cccc(C[N@@H+]2CCCC23CCN(c2ncccn2)CC3)c1)[NH+](C)C ZINC000072463130 136171142 /nfs/dbraw/zinc/17/11/42/136171142.db2.gz ITCCWWUGHHJJCK-IBGZPJMESA-N 2 0 379.552 3.734 50 0 GHAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(c3cc(C)[nH+]c(NC)n3)CC2)C1 ZINC000095353111 136177930 /nfs/dbraw/zinc/17/79/30/136177930.db2.gz VOBRQEQQYJVEND-HXUWFJFHSA-N 2 0 379.552 3.923 50 0 GHAARP CSc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000014981170 570869874 /nfs/dbraw/zinc/86/98/74/570869874.db2.gz CLXOMWIFFMCZEL-LJQANCHMSA-N 2 0 389.609 3.610 50 0 GHAARP C[NH+](C)C[C@H](O)COc1ccc(C[NH+]2CCC(CCc3ccccc3)CC2)cc1 ZINC000012580744 858870304 /nfs/dbraw/zinc/87/03/04/858870304.db2.gz STVDZBCRMYXEFK-DEOSSOPVSA-N 2 0 396.575 3.833 50 0 GHAARP COc1ccc(C[NH2+]CCC2=CCCCC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000012301985 859825744 /nfs/dbraw/zinc/82/57/44/859825744.db2.gz RRZPELDFCLXRNY-OAQYLSRUSA-N 2 0 388.552 3.511 50 0 GHAARP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](CC(C)(C)C)CC2)c(Cl)c1 ZINC000012054423 204369596 /nfs/dbraw/zinc/36/95/96/204369596.db2.gz QPSGMONZNYBURB-UHFFFAOYSA-N 2 0 395.975 3.521 50 0 GHAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]C2(c3ccccc3)CC2)ccc1OC ZINC000012463526 204414112 /nfs/dbraw/zinc/41/41/12/204414112.db2.gz XPVRTZCQQORZBI-NRFANRHFSA-N 2 0 398.547 3.556 50 0 GHAARP Cc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c2ccccc2[nH+]1 ZINC000071575368 205285334 /nfs/dbraw/zinc/28/53/34/205285334.db2.gz ZRTGJSWDYTWLLQ-SFHVURJKSA-N 2 0 392.547 3.503 50 0 GHAARP [NH3+]CCc1cccc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000072457836 205352657 /nfs/dbraw/zinc/35/26/57/205352657.db2.gz FYKWOOBPGVBERF-UHFFFAOYSA-N 2 0 378.438 3.690 50 0 GHAARP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)C1 ZINC000426620016 529020829 /nfs/dbraw/zinc/02/08/29/529020829.db2.gz JPEXPSVVBTWGAQ-HXUWFJFHSA-N 2 0 386.584 3.544 50 0 GHAARP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072309464 570532556 /nfs/dbraw/zinc/53/25/56/570532556.db2.gz UWXCYLVKTQQDTC-QHCPKHFHSA-N 2 0 395.547 3.872 50 0 GHAARP COc1cc(C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc2c1OCO2 ZINC000012596899 570689517 /nfs/dbraw/zinc/68/95/17/570689517.db2.gz NUBVSMHAKMZUFR-UHFFFAOYSA-N 2 0 386.492 3.669 50 0 GHAARP CC(C)[NH+]1CCC(CC(=O)NC[C@H](c2ccccc2F)[NH+]2CCCC2)CC1 ZINC000095370902 571061262 /nfs/dbraw/zinc/06/12/62/571061262.db2.gz YFQMRBBEXQFTFL-OAQYLSRUSA-N 2 0 375.532 3.589 50 0 GHAARP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000532300565 856488384 /nfs/dbraw/zinc/48/83/84/856488384.db2.gz FMHYRGAWSFMJQL-FQEVSTJZSA-N 2 0 381.564 3.725 50 0 GHAARP c1csc(C[N@H+]2CCCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000952988691 904674083 /nfs/dbraw/zinc/67/40/83/904674083.db2.gz UFLZMLAHTSBBSF-UHFFFAOYSA-N 2 0 383.605 3.963 50 0 GHAARP CCn1ncc(C[N@H+](C)CC2CC[NH+](CCc3ccccc3OC)CC2)c1C ZINC000426408884 231217077 /nfs/dbraw/zinc/21/70/77/231217077.db2.gz CZJWDBRQIRWYPC-UHFFFAOYSA-N 2 0 384.568 3.607 50 0 GHAARP C[NH+](C[C@@H](O)COc1cccc(C[N@@H+](C)Cc2ccccn2)c1)C1CCCCC1 ZINC000012304665 204393259 /nfs/dbraw/zinc/39/32/59/204393259.db2.gz JBLOFZPWZSBROJ-HSZRJFAPSA-N 2 0 397.563 3.718 50 0 GHAARP Cc1cc(N2CCC3(CCC[N@H+]3Cc3nccn3C)CC2)c2ccccc2[nH+]1 ZINC000072409500 136169566 /nfs/dbraw/zinc/16/95/66/136169566.db2.gz CXEGIQQLBNPCCF-UHFFFAOYSA-N 2 0 375.520 3.912 50 0 GHAARP Cc1cc(C[N@@H+](C)[C@@H](C)Cc2ccccn2)c(C)c(C[NH+]2CCN(C)CC2)c1 ZINC000215095640 570285711 /nfs/dbraw/zinc/28/57/11/570285711.db2.gz KAMVGAOLBYIITO-FQEVSTJZSA-N 2 0 380.580 3.509 50 0 GHAARP O=C(NCCC[NH+]1CCCCCC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000058167252 570714378 /nfs/dbraw/zinc/71/43/78/570714378.db2.gz DAUTUBPRUVGIOO-UHFFFAOYSA-N 2 0 386.584 3.738 50 0 GHAARP Cc1c(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C2CC2)C3)cnn1C ZINC000095378531 571065852 /nfs/dbraw/zinc/06/58/52/571065852.db2.gz DHUYSSVVEHSDDR-OAQYLSRUSA-N 2 0 378.564 3.963 50 0 GHAARP Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@H](C)[NH+](C)C)C2CCCC2)CC1 ZINC000095520607 571086419 /nfs/dbraw/zinc/08/64/19/571086419.db2.gz YENVNKJPJFHWKO-NRFANRHFSA-N 2 0 399.623 3.971 50 0 GHAARP C[N@H+](C[C@H](O)COc1cccc(C[NH+]2CCC(F)(F)CC2)c1)C1CCCCC1 ZINC000095527311 571091342 /nfs/dbraw/zinc/09/13/42/571091342.db2.gz AEFWPCVLDDHPGN-FQEVSTJZSA-N 2 0 396.522 3.922 50 0 GHAARP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000058309074 862457386 /nfs/dbraw/zinc/45/73/86/862457386.db2.gz VHTWCYYQGPTSKS-HSZRJFAPSA-N 2 0 377.532 3.736 50 0 GHAARP Cc1ccccc1C[NH+]1CCC(C[N@@H+](C[C@@H]2CCCO2)C2CCN(C)CC2)CC1 ZINC000020450655 919639918 /nfs/dbraw/zinc/63/99/18/919639918.db2.gz GHMBWTPSAAHQBW-VWLOTQADSA-N 2 0 399.623 3.782 50 0 GHAARP CCc1nc(C)c(C[N@H+](C)CC2CC[NH+](CCc3ccccc3OC)CC2)[nH]1 ZINC000012199083 204380639 /nfs/dbraw/zinc/38/06/39/204380639.db2.gz CEFPVRDUEOKMQX-UHFFFAOYSA-N 2 0 384.568 3.676 50 0 GHAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3cccn3-c3ncccn3)CC2)o1 ZINC000012303113 204390283 /nfs/dbraw/zinc/39/02/83/204390283.db2.gz XBTPOGFEZRQEAQ-UHFFFAOYSA-N 2 0 379.508 3.513 50 0 GHAARP Cc1ccccc1CC[NH+]1CCC(CN(C(=O)C[NH+](C)C)C2CCCC2)CC1 ZINC000012297869 204391521 /nfs/dbraw/zinc/39/15/21/204391521.db2.gz XSJMHIYPLNDICQ-UHFFFAOYSA-N 2 0 385.596 3.582 50 0 GHAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000014953860 570865794 /nfs/dbraw/zinc/86/57/94/570865794.db2.gz YEJQTXDLIRAUGJ-OJWZQRGQSA-N 2 0 387.612 3.512 50 0 GHAARP O=C(c1ccco1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014961199 570866769 /nfs/dbraw/zinc/86/67/69/570866769.db2.gz INWQANQNCFKPAJ-FQEVSTJZSA-N 2 0 387.568 3.862 50 0 GHAARP CC(C)N(C)C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000014978150 570869059 /nfs/dbraw/zinc/86/90/59/570869059.db2.gz PNBZXOHGZMRWKG-UHFFFAOYSA-N 2 0 385.596 3.662 50 0 GHAARP C[N@H+](Cc1ccccc1)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000012702499 570966437 /nfs/dbraw/zinc/96/64/37/570966437.db2.gz ZLOHYVPNVQFBBM-HSZRJFAPSA-N 2 0 382.548 3.934 50 0 GHAARP COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)cc2)c1 ZINC000095500061 571075982 /nfs/dbraw/zinc/07/59/82/571075982.db2.gz KHYZLTNGSKHAJS-HXUWFJFHSA-N 2 0 393.531 3.765 50 0 GHAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1CCCC1 ZINC000095501799 571076682 /nfs/dbraw/zinc/07/66/82/571076682.db2.gz JMZPUDKDJTYKIP-LJQANCHMSA-N 2 0 389.559 3.618 50 0 GHAARP Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@@H](C)[NH+](C)C)C2CCCC2)CC1 ZINC000095520606 571086561 /nfs/dbraw/zinc/08/65/61/571086561.db2.gz YENVNKJPJFHWKO-OAQYLSRUSA-N 2 0 399.623 3.971 50 0 GHAARP CC(C)[NH+]1CCC(CC(=O)N2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)CC1 ZINC000012751343 919302320 /nfs/dbraw/zinc/30/23/20/919302320.db2.gz VMTQHETWAPWDJN-QHCPKHFHSA-N 2 0 385.596 3.662 50 0 GHAARP c1cc2nonc2c(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000014950539 919347550 /nfs/dbraw/zinc/34/75/50/919347550.db2.gz AGLSCWSKLLFKKI-NRFANRHFSA-N 2 0 398.551 3.858 50 0 GHAARP Cc1ccc(C)c(NC(=S)N(CC[NH+](C)C)C2CC[NH+](C(C)C)CC2)c1 ZINC000004669538 204062230 /nfs/dbraw/zinc/06/22/30/204062230.db2.gz NHTAXXMZPGCCBK-UHFFFAOYSA-N 2 0 376.614 3.737 50 0 GHAARP C[NH+](C[C@H](O)COc1cccc(C[N@H+](C)Cc2cccnc2)c1)C1CCCCC1 ZINC000011663153 204349363 /nfs/dbraw/zinc/34/93/63/204349363.db2.gz CUPCGDMVGFQOST-QHCPKHFHSA-N 2 0 397.563 3.718 50 0 GHAARP C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC000067602104 205250043 /nfs/dbraw/zinc/25/00/43/205250043.db2.gz UOWCFJIWXUYOFL-UHFFFAOYSA-N 2 0 392.547 3.677 50 0 GHAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246936947 206133289 /nfs/dbraw/zinc/13/32/89/206133289.db2.gz QOXMHYKRVXBPOR-HSALFYBXSA-N 2 0 379.589 3.830 50 0 GHAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000015072647 570877970 /nfs/dbraw/zinc/87/79/70/570877970.db2.gz ZYMCITQUOZSLAW-XMMPIXPASA-N 2 0 390.527 3.848 50 0 GHAARP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000097102800 570894313 /nfs/dbraw/zinc/89/43/13/570894313.db2.gz QDPUTCLPVJTWEZ-JLYLLQBASA-N 2 0 392.385 3.758 50 0 GHAARP CC[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(-c2nc3c(c(=O)[nH]2)C[NH2+]CC3)cc1 ZINC000023429932 837074667 /nfs/dbraw/zinc/07/46/67/837074667.db2.gz FNGFDGKNYJPAJX-QFIPXVFZSA-N 2 0 388.515 3.666 50 0 GHAARP C[NH+](C)C[C@@H](CC[C@@H](C[NH+](C)C)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000002312759 855199147 /nfs/dbraw/zinc/19/91/47/855199147.db2.gz HIDLIUDTNBBUQM-SZPZYZBQSA-N 2 0 380.532 3.888 50 0 GHAARP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1([NH+]2CCCC2)CCCCC1 ZINC000827661249 865058998 /nfs/dbraw/zinc/05/89/98/865058998.db2.gz NMLOUVHPIKDPTP-QFIPXVFZSA-N 2 0 383.580 3.814 50 0 GHAARP c1ccc2c(c1)CC([NH+]1CCC(C[N@@H+](C[C@H]3CCCO3)C3CCOCC3)CC1)C2 ZINC000012707892 919300116 /nfs/dbraw/zinc/30/01/16/919300116.db2.gz GYWWWVLQUMXMCX-RUZDIDTESA-N 2 0 398.591 3.526 50 0 GHAARP c1cc2nonc2c(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000014950543 919347574 /nfs/dbraw/zinc/34/75/74/919347574.db2.gz AGLSCWSKLLFKKI-OAQYLSRUSA-N 2 0 398.551 3.858 50 0 GHAARP COc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cnn(C)c2)CC(C)C)CC1 ZINC000014959254 919349301 /nfs/dbraw/zinc/34/93/01/919349301.db2.gz BDPGOIGZMUPDRR-UHFFFAOYSA-N 2 0 384.568 3.799 50 0 GHAARP Cc1ccc(NC(=S)N(CC[NH+](C)C)C2CC[NH+](C(C)C)CC2)cc1F ZINC000004712478 204067337 /nfs/dbraw/zinc/06/73/37/204067337.db2.gz YUHXDYCAHWNJTK-UHFFFAOYSA-N 2 0 380.577 3.567 50 0 GHAARP COc1ccccc1C[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000012298119 204390664 /nfs/dbraw/zinc/39/06/64/204390664.db2.gz DOGYXUDNGYXLFW-JOCHJYFZSA-N 2 0 398.547 3.601 50 0 GHAARP O=C(NC[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)Nc1cccc(F)c1 ZINC000084372619 205393810 /nfs/dbraw/zinc/39/38/10/205393810.db2.gz AEJXMCBETMYRDC-SFHVURJKSA-N 2 0 376.520 3.535 50 0 GHAARP C[C@H](c1cccc(C[N@@H+]2CCCC23CCN(c2ncccn2)CC3)c1)[NH+](C)C ZINC000072463131 136171072 /nfs/dbraw/zinc/17/10/72/136171072.db2.gz ITCCWWUGHHJJCK-LJQANCHMSA-N 2 0 379.552 3.734 50 0 GHAARP CC[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCOc4ccc(C)cc43)ccn2)CC1 ZINC000095421341 136179056 /nfs/dbraw/zinc/17/90/56/136179056.db2.gz PMRAXPSRCYCGSL-OAQYLSRUSA-N 2 0 380.536 3.535 50 0 GHAARP Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@@H]2CCC[NH2+]2)C2CCCC2)CC1 ZINC000095498357 571074889 /nfs/dbraw/zinc/07/48/89/571074889.db2.gz RMUUMJDAHGCQFR-DEOSSOPVSA-N 2 0 397.607 3.773 50 0 GHAARP O[C@H]1[C@H]([N@H+]2CC=C(c3ccc(F)cc3)CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000023581874 836483802 /nfs/dbraw/zinc/48/38/02/836483802.db2.gz GDEDKUBCRXWBRQ-PKTZIBPZSA-N 2 0 378.491 3.652 50 0 GHAARP CC[NH+](CC)CCOc1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000253370760 854955276 /nfs/dbraw/zinc/95/52/76/854955276.db2.gz VPQMXCCVQTYPNG-WTIAFYNJSA-N 2 0 389.584 3.709 50 0 GHAARP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(c3c[nH]nc3C)CC2)CC1 ZINC000585081474 897056166 /nfs/dbraw/zinc/05/61/66/897056166.db2.gz VARRPDRYQBAFGQ-UHFFFAOYSA-N 2 0 381.568 3.630 50 0 GHAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc(OCCc3ccccc3)cc2)CC1 ZINC000072157108 205312650 /nfs/dbraw/zinc/31/26/50/205312650.db2.gz TVPZGXHSGUIFCP-XMMPIXPASA-N 2 0 382.548 3.587 50 0 GHAARP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246936908 206133405 /nfs/dbraw/zinc/13/34/05/206133405.db2.gz QOXMHYKRVXBPOR-AABGKKOBSA-N 2 0 379.589 3.830 50 0 GHAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000015072649 570877974 /nfs/dbraw/zinc/87/79/74/570877974.db2.gz ZYMCITQUOZSLAW-DEOSSOPVSA-N 2 0 390.527 3.848 50 0 GHAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccc(Cl)s2)C[C@@H]2CCCO2)CC1 ZINC000015077203 570879093 /nfs/dbraw/zinc/87/90/93/570879093.db2.gz TWLRRYLXJRLYEK-KRWDZBQOSA-N 2 0 386.989 3.741 50 0 GHAARP c1ccc2c(c1)CCO[C@@H]2C[NH2+]CCCCC[NH2+]C[C@H]1OCCc2ccccc21 ZINC000002102020 570942337 /nfs/dbraw/zinc/94/23/37/570942337.db2.gz NEHYCGHZQBAVCX-JWQCQUIFSA-N 2 0 394.559 3.964 50 0 biogenic GHAARP COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)cc2)c1 ZINC000095500062 571075714 /nfs/dbraw/zinc/07/57/14/571075714.db2.gz KHYZLTNGSKHAJS-FQEVSTJZSA-N 2 0 393.531 3.765 50 0 GHAARP Cc1cc(N2CCC[N@H+](Cc3cnc(NCc4ccccc4)nc3)CC2)cc[nH+]1 ZINC000825281222 864363850 /nfs/dbraw/zinc/36/38/50/864363850.db2.gz QYPYQTYADIGKHC-UHFFFAOYSA-N 2 0 388.519 3.504 50 0 GHAARP COc1cc(C[NH2+]C2CCCCCCC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000011953166 204364543 /nfs/dbraw/zinc/36/45/43/204364543.db2.gz AVIQNLZGNWECIT-OAQYLSRUSA-N 2 0 390.568 3.733 50 0 GHAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1cccc3ccccc31)CC[NH+](C)CC2 ZINC000072475044 222265759 /nfs/dbraw/zinc/26/57/59/222265759.db2.gz FTGJFAFKDZFDAE-JOCHJYFZSA-N 2 0 379.548 3.652 50 0 GHAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ccc(C(=O)NC)o3)CC2)C1 ZINC000096180375 570218724 /nfs/dbraw/zinc/21/87/24/570218724.db2.gz BQIPPBLYANFOHA-FQEVSTJZSA-N 2 0 395.547 3.731 50 0 GHAARP Cc1ccc(C[N@@H+](C)Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)o1 ZINC000012473726 570821035 /nfs/dbraw/zinc/82/10/35/570821035.db2.gz JCQHFZGCDHGLEC-OAQYLSRUSA-N 2 0 386.536 3.836 50 0 GHAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3ccc4nonc4c3)CC2)cc1 ZINC000015073697 570877899 /nfs/dbraw/zinc/87/78/99/570877899.db2.gz QCPHTWSEFDYFPK-UHFFFAOYSA-N 2 0 394.519 3.618 50 0 GHAARP CSc1ncc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)cn1 ZINC000091745451 571028305 /nfs/dbraw/zinc/02/83/05/571028305.db2.gz BVUDPCWLGOBYSY-FQEVSTJZSA-N 2 0 382.577 3.900 50 0 GHAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3cnc(N4CCCC4)s3)CC2)o1 ZINC000019335576 919577441 /nfs/dbraw/zinc/57/74/41/919577441.db2.gz TZUYDWSYBYOPRN-UHFFFAOYSA-N 2 0 388.581 3.989 50 0 GHAARP C[N@H+](Cc1ccccc1)[C@H]1CCCN(C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000019758348 919595346 /nfs/dbraw/zinc/59/53/46/919595346.db2.gz LUJUIJZTRMUMDR-DEOSSOPVSA-N 2 0 378.564 3.642 50 0 GHAARP C[NH+](C[C@@H](O)COc1cccc(C[N@H+](C)Cc2cccnc2)c1)C1CCCCC1 ZINC000011663152 204348920 /nfs/dbraw/zinc/34/89/20/204348920.db2.gz CUPCGDMVGFQOST-HSZRJFAPSA-N 2 0 397.563 3.718 50 0 GHAARP C[N@@H+](Cc1ccc2nonc2c1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000011874144 204359797 /nfs/dbraw/zinc/35/97/97/204359797.db2.gz ZVBMRFMVBUECGY-UHFFFAOYSA-N 2 0 382.483 3.748 50 0 GHAARP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000058297831 205172552 /nfs/dbraw/zinc/17/25/52/205172552.db2.gz OYADPGZGTKXMOQ-DEOSSOPVSA-N 2 0 391.559 3.850 50 0 GHAARP Cc1c(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)c2ccccc2n1CC(C)C ZINC000067803949 205259710 /nfs/dbraw/zinc/25/97/10/205259710.db2.gz FNKFOIXEAYPFPK-UHFFFAOYSA-N 2 0 382.596 3.818 50 0 GHAARP CCOc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1OC ZINC000067453076 205247496 /nfs/dbraw/zinc/24/74/96/205247496.db2.gz HYUGKXWPCQCSBS-HZPDHXFCSA-N 2 0 384.948 3.726 50 0 GHAARP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1 ZINC000241326094 206125776 /nfs/dbraw/zinc/12/57/76/206125776.db2.gz LZGGPDVYWLRCKW-NRSPTQNISA-N 2 0 385.556 3.518 50 0 GHAARP C[NH+](C)C[C@H](O)COc1ccc(C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012074923 221148183 /nfs/dbraw/zinc/14/81/83/221148183.db2.gz MWJMKKNHIBAEGP-NRXKURHUSA-N 2 0 386.580 3.636 50 0 GHAARP C[NH+]1CCC(C[N@@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)CC1 ZINC000072459010 136171203 /nfs/dbraw/zinc/17/12/03/136171203.db2.gz USTPMLYJCIMOFO-UHFFFAOYSA-N 2 0 396.501 3.877 50 0 GHAARP Cc1c2cccc(Cl)c2[nH]c1C[NH+]1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000219886439 570377546 /nfs/dbraw/zinc/37/75/46/570377546.db2.gz KVKCNULYBURNAQ-UHFFFAOYSA-N 2 0 375.944 3.800 50 0 GHAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000106125960 570948574 /nfs/dbraw/zinc/94/85/74/570948574.db2.gz YCDCRNJTXIJYFS-IBGZPJMESA-N 2 0 392.547 3.526 50 0 GHAARP COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095521043 571087256 /nfs/dbraw/zinc/08/72/56/571087256.db2.gz PUEHJGBWOATAII-FQEVSTJZSA-N 2 0 390.568 3.685 50 0 GHAARP Cc1cc(C)cc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000012204190 859302310 /nfs/dbraw/zinc/30/23/10/859302310.db2.gz JHOWALXUEKZYMO-OAQYLSRUSA-N 2 0 385.596 3.848 50 0 GHAARP Fc1cccc(-c2nc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)co2)c1 ZINC000182989459 873088464 /nfs/dbraw/zinc/08/84/64/873088464.db2.gz RDFDFNXDYHSVKO-UHFFFAOYSA-N 2 0 387.499 3.805 50 0 GHAARP Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000952982666 904668371 /nfs/dbraw/zinc/66/83/71/904668371.db2.gz QMFXDEJICZFDMD-OAQYLSRUSA-N 2 0 383.580 3.732 50 0 GHAARP O=C1CC[C@@H](CC[NH2+]Cc2ccccc2)N1CC1([NH+]2CCCCC2)CCCC1 ZINC000019841713 919598517 /nfs/dbraw/zinc/59/85/17/919598517.db2.gz JLDLOIUSRLLJIL-QFIPXVFZSA-N 2 0 383.580 3.956 50 0 GHAARP [NH3+]CC[C@@H]1C[N@@H+](C2CCN(c3cccc(-c4cccc(F)c4)c3)CC2)CCO1 ZINC000020363396 919634243 /nfs/dbraw/zinc/63/42/43/919634243.db2.gz BMUPDBYRWBIJJE-HSZRJFAPSA-N 2 0 383.511 3.511 50 0 GHAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH+]2CCC(F)CC2)c1)C1CCCCC1 ZINC000095504353 571077873 /nfs/dbraw/zinc/07/78/73/571077873.db2.gz IQJLGRIRSUDJAV-OAQYLSRUSA-N 2 0 378.532 3.625 50 0 GHAARP CCN1CCC[C@@H]1C[N@@H+](Cc1cccc(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022919777 835539201 /nfs/dbraw/zinc/53/92/01/835539201.db2.gz HKCKHBAOKNOCJF-XMMPIXPASA-N 2 0 387.612 3.640 50 0 GHAARP O[C@H]1[C@H]([NH+]2CCC(Cc3ccccc3)CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000023311809 836430429 /nfs/dbraw/zinc/43/04/29/836430429.db2.gz OVQLZQWZWIEQRL-RPWUZVMVSA-N 2 0 376.544 3.678 50 0 GHAARP Cc1c(C[N@@H+](C)[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)[nH]c2ccccc12 ZINC000023580575 836470925 /nfs/dbraw/zinc/47/09/25/836470925.db2.gz YVOSCZYLPVIBMD-PKTZIBPZSA-N 2 0 375.516 3.645 50 0 GHAARP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000096007908 860745465 /nfs/dbraw/zinc/74/54/65/860745465.db2.gz BBUYHHKTZNHWCO-UHFFFAOYSA-N 2 0 377.548 3.618 50 0 GHAARP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N[C@@H](C)c2ccccc2OC)CC1 ZINC000096007903 860745693 /nfs/dbraw/zinc/74/56/93/860745693.db2.gz ZVQGJGNESRDJQM-IBGZPJMESA-N 2 0 389.584 3.706 50 0 GHAARP C[N@@H+]1CCC[C@@H](CNC(=O)N2C[C@@H]([NH3+])C[C@H]2c2ccccc2)[C@@H]1c1cccs1 ZINC000952852382 904629345 /nfs/dbraw/zinc/62/93/45/904629345.db2.gz HJTFZFIJOCEELA-VNYTWHDVSA-N 2 0 398.576 3.615 50 0 GHAARP CCCn1ncc(C[N@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)c1C ZINC000014949372 919347038 /nfs/dbraw/zinc/34/70/38/919347038.db2.gz PYWOGJVJDYOGSD-UHFFFAOYSA-N 2 0 398.595 3.997 50 0 GHAARP Cc1ccccc1CC[NH2+]Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012193854 204381389 /nfs/dbraw/zinc/38/13/89/204381389.db2.gz JZEOYUBKLXGSMM-HSZRJFAPSA-N 2 0 382.548 3.553 50 0 GHAARP C[C@H](C1CC[NH+](C2CCN(C(=O)c3cccs3)CC2)CC1)[NH+]1CCCC1 ZINC000067921403 205267617 /nfs/dbraw/zinc/26/76/17/205267617.db2.gz RMDXOEKGVLZYPS-QGZVFWFLSA-N 2 0 375.582 3.549 50 0 GHAARP CCOc1ccc(C[N@@H+]2CCN(c3cc[nH+]c4ccccc43)C[C@@H]2CCO)cc1 ZINC000072424116 136169897 /nfs/dbraw/zinc/16/98/97/136169897.db2.gz LADXQJDNSIPFQP-FQEVSTJZSA-N 2 0 391.515 3.707 50 0 GHAARP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012750378 571002823 /nfs/dbraw/zinc/00/28/23/571002823.db2.gz UEHPGFHPDGWLBZ-KRWDZBQOSA-N 2 0 395.503 3.518 50 0 GHAARP C[N@H+](C[C@H]1CCOC1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095528887 571091999 /nfs/dbraw/zinc/09/19/99/571091999.db2.gz VDJACOJFQRZQCO-LJQANCHMSA-N 2 0 384.486 3.928 50 0 GHAARP OCC[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)s2)CC[N@@H+]1C1CCCC1 ZINC000023358160 836726783 /nfs/dbraw/zinc/72/67/83/836726783.db2.gz ILCPCKAVBLMKJW-FQEVSTJZSA-N 2 0 391.625 3.545 50 0 GHAARP c1sc(CN2CCC([NH+]3CCSCC3)CC2)cc1C[NH+]1CCCCC1 ZINC000670465585 863015260 /nfs/dbraw/zinc/01/52/60/863015260.db2.gz QKITWYUFNDVNEC-UHFFFAOYSA-N 2 0 379.639 3.747 50 0 GHAARP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000179394742 858793991 /nfs/dbraw/zinc/79/39/91/858793991.db2.gz ZMRZTPKLUOAHKY-JOCHJYFZSA-N 2 0 396.510 3.565 50 0 GHAARP CCC[N@H+](C)CC1(O)CCC2(CC[NH+](Cc3ccc(O)c(F)c3)CC2)CC1 ZINC000257195562 860305445 /nfs/dbraw/zinc/30/54/45/860305445.db2.gz WIUJARMTRZESNV-UHFFFAOYSA-N 2 0 378.532 3.760 50 0 GHAARP CC(C)[NH2+][C@@H]1CC[C@@H]1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000072167969 205314767 /nfs/dbraw/zinc/31/47/67/205314767.db2.gz YQDYQCPMTSDIMX-PKTZIBPZSA-N 2 0 377.532 3.504 50 0 GHAARP Cc1cc(C)c(C[N@H+](Cc2ccccn2)C2CC2)cc1CN1CC[NH+](C)CC1 ZINC000216229065 570297347 /nfs/dbraw/zinc/29/73/47/570297347.db2.gz PFTDVHNCCMJHRY-UHFFFAOYSA-N 2 0 378.564 3.610 50 0 GHAARP C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000014957692 570866208 /nfs/dbraw/zinc/86/62/08/570866208.db2.gz CTJNUQULCGVKJJ-JOCHJYFZSA-N 2 0 386.511 3.683 50 0 GHAARP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000089904812 570919243 /nfs/dbraw/zinc/91/92/43/570919243.db2.gz ISDVVXGHEAQOSG-MAUKXSAKSA-N 2 0 385.474 3.747 50 0 GHAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000106125963 570948930 /nfs/dbraw/zinc/94/89/30/570948930.db2.gz YCDCRNJTXIJYFS-LJQANCHMSA-N 2 0 392.547 3.526 50 0 GHAARP Cc1nnc([C@@H]2C[N@@H+](CC(C)C)CC23CC[NH+](CCOc2ccccc2)CC3)o1 ZINC000675015013 840883924 /nfs/dbraw/zinc/88/39/24/840883924.db2.gz RVEVEVXWDHHXEZ-NRFANRHFSA-N 2 0 398.551 3.594 50 0 GHAARP Cc1ccsc1C[N@H+]1CCC[C@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000012431471 862338958 /nfs/dbraw/zinc/33/89/58/862338958.db2.gz JSIIKCGTOAOKDB-GOSISDBHSA-N 2 0 377.598 3.601 50 0 GHAARP O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000014976380 919352378 /nfs/dbraw/zinc/35/23/78/919352378.db2.gz WRKDTFJERUMZPH-NRFANRHFSA-N 2 0 383.580 3.812 50 0 GHAARP CC1(C)CN(C(=O)C2([NH3+])CC3(CCC3)C2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663022827 930491553 /nfs/dbraw/zinc/49/15/53/930491553.db2.gz PTWQNAOUBNANPG-OAQYLSRUSA-N 2 0 395.591 3.797 50 0 GHAARP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3c3cccs3)cc2)CC1 ZINC000008165672 204264663 /nfs/dbraw/zinc/26/46/63/204264663.db2.gz KGIDAMYGLXBYLK-HXUWFJFHSA-N 2 0 398.576 3.666 50 0 GHAARP CN(Cc1ccccc1C[NH+](C)C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299784584 206189518 /nfs/dbraw/zinc/18/95/18/206189518.db2.gz UJKMNVPLBMERID-VXNXHJTFSA-N 2 0 391.559 3.932 50 0 GHAARP C[C@H](C1CC[NH+](Cc2ccc(-c3ccccn3)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000065406157 222128810 /nfs/dbraw/zinc/12/88/10/222128810.db2.gz COMVBQWZXFQKOB-HXUWFJFHSA-N 2 0 378.564 3.597 50 0 GHAARP O[C@]1(c2ccccc2)CC[N@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C1 ZINC000216144410 570296235 /nfs/dbraw/zinc/29/62/35/570296235.db2.gz UUAHIIMVNKLIJT-XMMPIXPASA-N 2 0 380.532 3.645 50 0 GHAARP O[C@H](COc1cccc(C[N@@H+]2CCc3ccccc3C2)c1)C[NH+]1CCCCCC1 ZINC000014973409 570380240 /nfs/dbraw/zinc/38/02/40/570380240.db2.gz UMJUMTAACZAQPP-DEOSSOPVSA-N 2 0 394.559 3.861 50 0 GHAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCC2=CCCCC2)cc1OC ZINC000012430810 570658940 /nfs/dbraw/zinc/65/89/40/570658940.db2.gz AUHBKHPJHRLAOZ-OAQYLSRUSA-N 2 0 390.568 3.757 50 0 GHAARP CC[N@@H+](Cc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1)C[C@H]1CC[NH+](C)C1 ZINC000023368047 836798943 /nfs/dbraw/zinc/79/89/43/836798943.db2.gz OJEGURQSKLKRGL-IBGZPJMESA-N 2 0 394.563 3.868 50 0 GHAARP CN(C(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000230237256 861750916 /nfs/dbraw/zinc/75/09/16/861750916.db2.gz XXWRUWGTPKPTDN-GMKZXUHWSA-N 2 0 391.559 3.930 50 0 GHAARP COc1cc(C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc(OC)c1O ZINC000012583372 859437712 /nfs/dbraw/zinc/43/77/12/859437712.db2.gz XDFPWNQFSBPESS-UHFFFAOYSA-N 2 0 388.508 3.655 50 0 GHAARP O[C@H](COc1cccc(C[NH2+]C2CCCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000012760282 859562853 /nfs/dbraw/zinc/56/28/53/859562853.db2.gz FLMRMYVIIGZJSM-QHCPKHFHSA-N 2 0 380.532 3.517 50 0 GHAARP COc1cc(C[NH2+]C2CCCCC2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000014948565 919346906 /nfs/dbraw/zinc/34/69/06/919346906.db2.gz FELBAHLCEKQWGA-NRFANRHFSA-N 2 0 390.568 3.733 50 0 GHAARP CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)CC1CC[NH+](C)CC1 ZINC000014952458 919348728 /nfs/dbraw/zinc/34/87/28/919348728.db2.gz HJLHBZPIBCEDNM-UHFFFAOYSA-N 2 0 399.623 3.830 50 0 GHAARP O=C1CC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)CCN1CC1CCCCC1 ZINC000015002087 919353403 /nfs/dbraw/zinc/35/34/03/919353403.db2.gz ONHXGOTXQYQPSJ-NRFANRHFSA-N 2 0 375.601 3.898 50 0 GHAARP CSc1ccc2c(c1)CC[N@H+]([C@@H]1c3ccccc3C3(CC[NH2+]CC3)[C@H]1O)C2 ZINC000064166776 205188169 /nfs/dbraw/zinc/18/81/69/205188169.db2.gz XMBJBUCWBQRFJR-YADHBBJMSA-N 2 0 380.557 3.504 50 0 GHAARP O[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(OC(F)F)cc1 ZINC000071821744 205298264 /nfs/dbraw/zinc/29/82/64/205298264.db2.gz MTZSIZRFIRWRFF-HXUWFJFHSA-N 2 0 382.495 3.909 50 0 GHAARP COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011815230 221127687 /nfs/dbraw/zinc/12/76/87/221127687.db2.gz BCVDODJZOAEKHH-NRFANRHFSA-N 2 0 390.568 3.732 50 0 GHAARP CC1(C)CC([NH2+]C2CCN(c3ccc(N4CCCC4=O)cc3)CC2)CC(C)(C)[NH2+]1 ZINC000063834714 136156482 /nfs/dbraw/zinc/15/64/82/136156482.db2.gz BVTNQJCRFTZHAP-UHFFFAOYSA-N 2 0 398.595 3.681 50 0 GHAARP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)C1 ZINC000426620015 529010570 /nfs/dbraw/zinc/01/05/70/529010570.db2.gz JPEXPSVVBTWGAQ-FQEVSTJZSA-N 2 0 386.584 3.544 50 0 GHAARP C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000040115911 570553318 /nfs/dbraw/zinc/55/33/18/570553318.db2.gz FKDVWXIKTJTNJM-UHFFFAOYSA-N 2 0 395.547 3.543 50 0 GHAARP O=C(CCC1CC[NH+](Cc2ccoc2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012057726 570603085 /nfs/dbraw/zinc/60/30/85/570603085.db2.gz DJUXLJCNUBTWFP-QHCPKHFHSA-N 2 0 395.547 3.663 50 0 GHAARP COc1ccc(-c2c3c4cc(OC)c(OC)cc4cc[n+]3c(C)n2C)cc1OC ZINC000016363241 570923341 /nfs/dbraw/zinc/92/33/41/570923341.db2.gz ZTUUWNQYTXDWMD-UHFFFAOYSA-N 2 0 393.463 3.927 50 0 GHAARP CCNc1ncc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)cn1 ZINC000091351218 571004526 /nfs/dbraw/zinc/00/45/26/571004526.db2.gz IGSKFHQVSTXWOL-NRFANRHFSA-N 2 0 379.552 3.610 50 0 GHAARP COCC[N@H+](C)C[C@@H]1C[NH+](Cc2cccc3c4ccccc4sc32)C[C@@H]1CO ZINC000091462312 571009267 /nfs/dbraw/zinc/00/92/67/571009267.db2.gz NAZMPTADPFGDAC-RTBURBONSA-N 2 0 398.572 3.673 50 0 GHAARP CC1=CC[NH+](Cc2ccc(OC[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000095502095 571076733 /nfs/dbraw/zinc/07/67/33/571076733.db2.gz JTFJPFVDVWOWCP-HSZRJFAPSA-N 2 0 380.532 3.710 50 0 GHAARP CC(C)CN1CCc2nc[nH]c2[C@H]1C1CC[NH+](CCOc2ccccc2)CC1 ZINC000675012578 840864392 /nfs/dbraw/zinc/86/43/92/840864392.db2.gz ONPSAGKCTDFAKT-HSZRJFAPSA-N 2 0 382.552 3.756 50 0 GHAARP CC(C)CN1CCc2nc[nH]c2[C@@H]1C1CC[NH+](CCOc2ccccc2)CC1 ZINC000675012579 840864804 /nfs/dbraw/zinc/86/48/04/840864804.db2.gz ONPSAGKCTDFAKT-QHCPKHFHSA-N 2 0 382.552 3.756 50 0 GHAARP CC[NH+](CC)CCOc1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000253370759 854955074 /nfs/dbraw/zinc/95/50/74/854955074.db2.gz VPQMXCCVQTYPNG-UEVCKROQSA-N 2 0 389.584 3.709 50 0 GHAARP COc1cc(F)ccc1C[N@@H+]1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012307748 204392426 /nfs/dbraw/zinc/39/24/26/204392426.db2.gz FJQFSQVHKISKLZ-FQEVSTJZSA-N 2 0 383.511 3.963 50 0 GHAARP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000058297834 205171553 /nfs/dbraw/zinc/17/15/53/205171553.db2.gz OYADPGZGTKXMOQ-XMMPIXPASA-N 2 0 391.559 3.850 50 0 GHAARP Cc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c2ccccc2[nH+]1 ZINC000071575371 205286070 /nfs/dbraw/zinc/28/60/70/205286070.db2.gz ZRTGJSWDYTWLLQ-GOSISDBHSA-N 2 0 392.547 3.503 50 0 GHAARP CC1(C(=O)N(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC000015065422 570875814 /nfs/dbraw/zinc/87/58/14/570875814.db2.gz MZPUQPMZRBQFTL-HXUWFJFHSA-N 2 0 375.601 3.756 50 0 GHAARP C[N@H+](Cc1ccccc1)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000012702493 570966422 /nfs/dbraw/zinc/96/64/22/570966422.db2.gz ZLOHYVPNVQFBBM-QHCPKHFHSA-N 2 0 382.548 3.934 50 0 GHAARP Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCC[NH2+]C1 ZINC000095080215 571049833 /nfs/dbraw/zinc/04/98/33/571049833.db2.gz GPSQYTDPBDNDGI-MRXNPFEDSA-N 2 0 386.459 3.792 50 0 GHAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH+]2CCC(F)(F)CC2)c1)C1CCCCC1 ZINC000095527312 571091612 /nfs/dbraw/zinc/09/16/12/571091612.db2.gz AEFWPCVLDDHPGN-HXUWFJFHSA-N 2 0 396.522 3.922 50 0 GHAARP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)CC1 ZINC000952972656 904651267 /nfs/dbraw/zinc/65/12/67/904651267.db2.gz WJTHJXIBZHRHQF-OAQYLSRUSA-N 2 0 375.560 3.717 50 0 GHAARP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000105112589 904875632 /nfs/dbraw/zinc/87/56/32/904875632.db2.gz KJYZAYSTJUMEPE-HSZRJFAPSA-N 2 0 398.595 3.619 50 0 GHAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000012710196 570702075 /nfs/dbraw/zinc/70/20/75/570702075.db2.gz STUHIBFYWDTVLN-QHCPKHFHSA-N 2 0 382.548 3.981 50 0 GHAARP O=C(NC1CC1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014743213 570858501 /nfs/dbraw/zinc/85/85/01/570858501.db2.gz VKYLKYORNGJEOU-NFBKMPQASA-N 2 0 391.559 3.652 50 0 GHAARP C[NH+](C)CCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(F)c(Cl)c1)CC2 ZINC000095358586 571053875 /nfs/dbraw/zinc/05/38/75/571053875.db2.gz ALDICGXETKRUKP-UHFFFAOYSA-N 2 0 395.950 3.635 50 0 GHAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1CCCC1 ZINC000095501800 571076777 /nfs/dbraw/zinc/07/67/77/571076777.db2.gz JMZPUDKDJTYKIP-IBGZPJMESA-N 2 0 389.559 3.618 50 0 GHAARP O=C(CCC1CC[NH+](C2CC[NH2+]CC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000095507932 571079892 /nfs/dbraw/zinc/07/98/92/571079892.db2.gz NSYGJPKGKZDMCF-UHFFFAOYSA-N 2 0 397.607 3.712 50 0 GHAARP C[N@H+](C[C@@H](O)COc1ccccc1C[NH+]1CCC(F)(F)CC1)C1CCCCC1 ZINC000095516378 571083951 /nfs/dbraw/zinc/08/39/51/571083951.db2.gz BGSRLJQBWRCEAO-HXUWFJFHSA-N 2 0 396.522 3.922 50 0 GHAARP O=C(c1ccc[nH]1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095518885 571085552 /nfs/dbraw/zinc/08/55/52/571085552.db2.gz PGZNMKHQBCASBH-FQEVSTJZSA-N 2 0 386.584 3.597 50 0 GHAARP COCC[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(F)c1)Cc1ccccc1O2 ZINC000257193846 838978346 /nfs/dbraw/zinc/97/83/46/838978346.db2.gz SASRIZLOAMDTIN-UHFFFAOYSA-N 2 0 384.495 3.701 50 0 GHAARP C[N@H+](CCc1ccccc1)[C@H]1CCCN(C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000019741948 839830797 /nfs/dbraw/zinc/83/07/97/839830797.db2.gz FMYFFRSEYGPAEA-QHCPKHFHSA-N 2 0 381.564 3.883 50 0 GHAARP CC[NH+](CC)CCOc1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000253370761 854955099 /nfs/dbraw/zinc/95/50/99/854955099.db2.gz VPQMXCCVQTYPNG-WWPVKYPJSA-N 2 0 389.584 3.709 50 0 GHAARP C[NH+](C)C[C@H](CC[C@@H](C[NH+](C)C)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000002312760 855198897 /nfs/dbraw/zinc/19/88/97/855198897.db2.gz HIDLIUDTNBBUQM-VXKWHMMOSA-N 2 0 380.532 3.888 50 0 GHAARP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1([NH+]2CCCC2)CCCCC1 ZINC000827661248 865058656 /nfs/dbraw/zinc/05/86/56/865058656.db2.gz NMLOUVHPIKDPTP-JOCHJYFZSA-N 2 0 383.580 3.814 50 0 GHAARP c1nn2cc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)cnc2c1-c1ccccc1 ZINC000067742591 926359814 /nfs/dbraw/zinc/35/98/14/926359814.db2.gz HFGSJHNDUIZLHY-UHFFFAOYSA-N 2 0 384.487 3.504 50 0 GHAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3nc(-c4ccccc4)no3)CC2)o1 ZINC000014972423 207037406 /nfs/dbraw/zinc/03/74/06/207037406.db2.gz CDKNWKIRBXDUHP-UHFFFAOYSA-N 2 0 380.492 3.982 50 0 GHAARP O[C@H]1[C@H]([NH+]2CCCCC2)c2ccccc2C12CC[NH+](Cc1ccncc1)CC2 ZINC000019954229 207172923 /nfs/dbraw/zinc/17/29/23/207172923.db2.gz SLDKDKHLUSRXRQ-PKTZIBPZSA-N 2 0 377.532 3.517 50 0 GHAARP O[C@H](COc1ccc(C[NH2+]C2CCCC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000023145839 207270836 /nfs/dbraw/zinc/27/08/36/207270836.db2.gz ZQXFYNQSSRJUNK-QHCPKHFHSA-N 2 0 380.532 3.517 50 0 GHAARP C[C@@H](C1CC[NH+](C2CCN(C(=O)c3cccs3)CC2)CC1)[NH+]1CCCC1 ZINC000067921399 207916313 /nfs/dbraw/zinc/91/63/13/207916313.db2.gz RMDXOEKGVLZYPS-KRWDZBQOSA-N 2 0 375.582 3.549 50 0 GHAARP O=C(NC[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)Nc1cccc(F)c1 ZINC000084372621 208089615 /nfs/dbraw/zinc/08/96/15/208089615.db2.gz AEJXMCBETMYRDC-GOSISDBHSA-N 2 0 376.520 3.535 50 0 GHAARP [NH3+][C@H]1CN(C(=O)c2cccc(C[NH+]3CCCCCC3)c2)C[C@@H]1c1ccccc1 ZINC000091411918 208115909 /nfs/dbraw/zinc/11/59/09/208115909.db2.gz OWQJZXHUHFABDB-PKTZIBPZSA-N 2 0 377.532 3.630 50 0 GHAARP Cc1ccc(C[N@H+]2CCC3(CC[NH+](C(C)C)CC3)[C@@H](CO)C2)c2cccnc12 ZINC000097785637 208363299 /nfs/dbraw/zinc/36/32/99/208363299.db2.gz RQQJCARAKWWXGS-OAQYLSRUSA-N 2 0 381.564 3.848 50 0 GHAARP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]c4c(C)cc(C)cc34)C[C@@H]2CCO)o1 ZINC000072476463 136171350 /nfs/dbraw/zinc/17/13/50/136171350.db2.gz ZFXIGXJBYGBZON-IBGZPJMESA-N 2 0 379.504 3.826 50 0 GHAARP O[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C1 ZINC000216144368 570296259 /nfs/dbraw/zinc/29/62/59/570296259.db2.gz UUAHIIMVNKLIJT-DEOSSOPVSA-N 2 0 380.532 3.645 50 0 GHAARP C[NH+](C)C[C@H](O)COc1ccc(C[N@H+](C)Cc2ccccc2C(F)(F)F)cc1 ZINC000011753749 570580911 /nfs/dbraw/zinc/58/09/11/570580911.db2.gz NKOBIKYJICSBCM-SFHVURJKSA-N 2 0 396.453 3.639 50 0 GHAARP C[NH+](C[C@H](O)COc1cccc(C[N@@H+](C)Cc2ccccn2)c1)C1CCCCC1 ZINC000012304664 570638215 /nfs/dbraw/zinc/63/82/15/570638215.db2.gz JBLOFZPWZSBROJ-QHCPKHFHSA-N 2 0 397.563 3.718 50 0 GHAARP CCC[NH+]1CCC([N@@H+]2CCC[C@H](Cn3c(C)cnc3-c3ccncc3)C2)CC1 ZINC000581807369 837680293 /nfs/dbraw/zinc/68/02/93/837680293.db2.gz IGICMMIKBYHKQQ-FQEVSTJZSA-N 2 0 381.568 3.840 50 0 GHAARP C[N@@H+](Cc1ccc2nonc2c1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012072650 858803976 /nfs/dbraw/zinc/80/39/76/858803976.db2.gz JDDLHDOUPFCSRX-UHFFFAOYSA-N 2 0 382.483 3.748 50 0 GHAARP O[C@@H](COc1ccc(Cl)cc1C[NH2+]C1CCCC1)C[NH+]1CCCCCC1 ZINC000012574551 858838084 /nfs/dbraw/zinc/83/80/84/858838084.db2.gz GFFOCDOYRGCROI-HXUWFJFHSA-N 2 0 380.960 3.988 50 0 GHAARP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2-c2ccccc2)CC1 ZINC000823783433 863203300 /nfs/dbraw/zinc/20/33/00/863203300.db2.gz UAACEXSATWZAMT-DEOSSOPVSA-N 2 0 391.559 3.776 50 0 GHAARP C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H]([NH3+])C[C@H]2c2ccccc2)[C@@H]1c1cccs1 ZINC000952852383 904629871 /nfs/dbraw/zinc/62/98/71/904629871.db2.gz HJTFZFIJOCEELA-XODKDNOYSA-N 2 0 398.576 3.615 50 0 GHAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@H]2CCCO2)CC1 ZINC000012716091 919299807 /nfs/dbraw/zinc/29/98/07/919299807.db2.gz HFDFXOXRDLTTAP-LJQANCHMSA-N 2 0 398.950 3.819 50 0 GHAARP CC1(C)CN(C(=O)C2([NH3+])CC3(CCC3)C2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663022825 930491205 /nfs/dbraw/zinc/49/12/05/930491205.db2.gz PTWQNAOUBNANPG-NRFANRHFSA-N 2 0 395.591 3.797 50 0 GHAARP C[NH+](C)[C@@H]1c2ccccc2C2(CC[NH+](Cc3ccc(Cl)s3)CC2)[C@H]1O ZINC000019147889 207105565 /nfs/dbraw/zinc/10/55/65/207105565.db2.gz YVVYKLAIUJRSQB-MOPGFXCFSA-N 2 0 376.953 3.913 50 0 GHAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc4ccccc43)C[C@@H]2CCO)CC1 ZINC000020534942 207201470 /nfs/dbraw/zinc/20/14/70/207201470.db2.gz VTCPZZPZFUCXIJ-DEOSSOPVSA-N 2 0 395.591 3.581 50 0 GHAARP O[C@@H](COc1ccc(C[NH2+]C2CCCC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000023145836 207269341 /nfs/dbraw/zinc/26/93/41/207269341.db2.gz ZQXFYNQSSRJUNK-HSZRJFAPSA-N 2 0 380.532 3.517 50 0 GHAARP C[N@@H+](Cc1cncnc1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095527661 208226546 /nfs/dbraw/zinc/22/65/46/208226546.db2.gz FOBNQFPHVPHSMA-UHFFFAOYSA-N 2 0 392.469 3.882 50 0 GHAARP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000241961416 209022801 /nfs/dbraw/zinc/02/28/01/209022801.db2.gz USIISLNSXDPIEV-FQEVSTJZSA-N 2 0 381.564 3.912 50 0 GHAARP COc1ccc(C[NH2+]C2CCCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012194001 570622824 /nfs/dbraw/zinc/62/28/24/570622824.db2.gz VVHJRYSTQJDXBE-QFIPXVFZSA-N 2 0 398.547 3.599 50 0 GHAARP CC(C)[NH+]1CCC(N(CC[NH+](C)C)C(=S)Nc2ccccc2Cl)CC1 ZINC000004712477 570858029 /nfs/dbraw/zinc/85/80/29/570858029.db2.gz CDNPSRLQUBQDDO-UHFFFAOYSA-N 2 0 383.005 3.773 50 0 GHAARP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)NCc3ccccc3Cl)C[C@@H]2[C@H]1c1ccccc1 ZINC000106920675 570969170 /nfs/dbraw/zinc/96/91/70/570969170.db2.gz QYGUSLVJRGZLOY-ZRCGQRJVSA-N 2 0 397.950 3.581 50 0 GHAARP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)Cc1cnc(C2OCCO2)s1 ZINC000252572602 570996390 /nfs/dbraw/zinc/99/63/90/570996390.db2.gz ZMEFNZHHUDLTBO-APWZRJJASA-N 2 0 387.549 3.531 50 0 GHAARP O=C(CN1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccccc1OC(F)F ZINC000045806695 570996790 /nfs/dbraw/zinc/99/67/90/570996790.db2.gz YLBYVDRMCHOECF-UHFFFAOYSA-N 2 0 395.494 3.815 50 0 GHAARP CC/C=C(/C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000822293498 862645842 /nfs/dbraw/zinc/64/58/42/862645842.db2.gz SNAWLDPBNDUBGR-TYKUBWCYSA-N 2 0 383.580 3.650 50 0 GHAARP CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000952869653 904634245 /nfs/dbraw/zinc/63/42/45/904634245.db2.gz XYNLHXWXFHWIHB-HSZRJFAPSA-N 2 0 392.591 3.914 50 0 GHAARP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)CC1 ZINC000952972641 904651434 /nfs/dbraw/zinc/65/14/34/904651434.db2.gz WJTHJXIBZHRHQF-NRFANRHFSA-N 2 0 375.560 3.717 50 0 GHAARP Cc1c[nH+]ccc1N1CCCN(C(=O)c2ccc([C@H](C)[NH+]3CCCCC3)o2)CC1 ZINC000952976924 904656812 /nfs/dbraw/zinc/65/68/12/904656812.db2.gz RADSBKJVNUMGIZ-IBGZPJMESA-N 2 0 396.535 3.882 50 0 GHAARP CCOc1cccc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](CCOC)CC2)c1 ZINC000011938011 206225793 /nfs/dbraw/zinc/22/57/93/206225793.db2.gz JMLMDDSUDDPAEV-UHFFFAOYSA-N 2 0 397.563 3.841 50 0 GHAARP [NH3+]Cc1cn(CC2CC[NH+](Cc3sc4ccccc4c3Cl)CC2)nn1 ZINC000023580748 207280222 /nfs/dbraw/zinc/28/02/22/207280222.db2.gz MXHOXYHHEVMSGR-UHFFFAOYSA-N 2 0 375.929 3.517 50 0 GHAARP CCC(CC)NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091679722 208133334 /nfs/dbraw/zinc/13/33/34/208133334.db2.gz DHWUSBUWEZQFTK-NRFANRHFSA-N 2 0 397.607 3.635 50 0 GHAARP COc1cc(C[NH2+]C2CCCCC2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000014948568 919346751 /nfs/dbraw/zinc/34/67/51/919346751.db2.gz FELBAHLCEKQWGA-OAQYLSRUSA-N 2 0 390.568 3.733 50 0 GHAARP CCCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000014972983 207036719 /nfs/dbraw/zinc/03/67/19/207036719.db2.gz HBLRWHLMJMAOTO-QFIPXVFZSA-N 2 0 397.607 3.589 50 0 GHAARP CC(C)(CN1CCOCC1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCCCC1)C2 ZINC000012073931 207279018 /nfs/dbraw/zinc/27/90/18/207279018.db2.gz VOTKVPYXHZVXPM-DEOSSOPVSA-N 2 0 391.644 3.713 50 0 GHAARP Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@H]2CC[NH2+]C2)C2CCCC2)CC1 ZINC000095518310 208216121 /nfs/dbraw/zinc/21/61/21/208216121.db2.gz RUDHXDVWSKKUTG-QHCPKHFHSA-N 2 0 397.607 3.630 50 0 GHAARP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc1 ZINC000011946256 570595438 /nfs/dbraw/zinc/59/54/38/570595438.db2.gz FIAAZJPXOLLSIC-UHFFFAOYSA-N 2 0 398.522 3.999 50 0 GHAARP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1cnc(C2OCCO2)s1 ZINC000252572603 570996297 /nfs/dbraw/zinc/99/62/97/570996297.db2.gz ZMEFNZHHUDLTBO-VQIMIIECSA-N 2 0 387.549 3.531 50 0 GHAARP C[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000012593205 859447819 /nfs/dbraw/zinc/44/78/19/859447819.db2.gz AGVFMTXZWGYUMA-JOCHJYFZSA-N 2 0 386.511 3.683 50 0 GHAARP CCOC(=O)N1CCC([N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)CC1 ZINC000055228237 924037667 /nfs/dbraw/zinc/03/76/67/924037667.db2.gz NDFCMPMIRJZCMB-XMMPIXPASA-N 2 0 399.579 3.904 50 0 GHAARP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccccc1C[NH+](C)C ZINC000486960076 926483975 /nfs/dbraw/zinc/48/39/75/926483975.db2.gz UEEWHNPNOIKMPE-UHFFFAOYSA-N 2 0 380.536 3.522 50 0 GHAARP [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000426440273 231222172 /nfs/dbraw/zinc/22/21/72/231222172.db2.gz LRZOZTMVCCIFRV-HSZRJFAPSA-N 2 0 377.532 3.903 50 0 GHAARP CCn1cc(C[N@H+](C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)c(C)n1 ZINC000426615584 231247087 /nfs/dbraw/zinc/24/70/87/231247087.db2.gz SMDQXYDWKQXGFE-UHFFFAOYSA-N 2 0 384.568 3.607 50 0 GHAARP O=c1occ(C[NH+]2CCCCCC2)c([O-])c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101373445 208391751 /nfs/dbraw/zinc/39/17/51/208391751.db2.gz ULYPMYDQNRDGJO-LJQANCHMSA-N 2 0 382.504 3.711 50 0 GHAARP Cn1c(SCC[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000299798889 209091468 /nfs/dbraw/zinc/09/14/68/209091468.db2.gz UKUWDIBLRZWIQQ-IBGZPJMESA-N 2 0 391.629 3.763 50 0 GHAARP C[N@H+](Cc1cccc(OCCN2CC[NH2+]CC2)c1)Cc1cccc2ccccc21 ZINC000299798381 209090311 /nfs/dbraw/zinc/09/03/11/209090311.db2.gz SSWOSZXQANICBT-UHFFFAOYSA-N 2 0 389.543 3.756 50 0 GHAARP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)NCc3ccccc3Cl)C[C@@H]2[C@@H]1c1ccccc1 ZINC000072304898 570516482 /nfs/dbraw/zinc/51/64/82/570516482.db2.gz QYGUSLVJRGZLOY-QTEQDKRBSA-N 2 0 397.950 3.581 50 0 GHAARP COCC[NH+]1CCC(C[N@H+](Cc2cc3ccccc3[nH]2)Cc2ccncc2)CC1 ZINC000011667855 570579372 /nfs/dbraw/zinc/57/93/72/570579372.db2.gz MGRMJWCMCMSKSO-UHFFFAOYSA-N 2 0 392.547 3.924 50 0 GHAARP COCC[N@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C1CCSCC1 ZINC000012199262 570963513 /nfs/dbraw/zinc/96/35/13/570963513.db2.gz CCRPTZMKJFDKQS-UHFFFAOYSA-N 2 0 392.609 3.751 50 0 GHAARP CCc1ccccc1NC(=S)N(CC[NH+](C)C)C1CC[NH+](C(C)C)CC1 ZINC000003025990 862120663 /nfs/dbraw/zinc/12/06/63/862120663.db2.gz IISISQIOCHUZHG-UHFFFAOYSA-N 2 0 376.614 3.682 50 0 GHAARP Cc1sc2[nH]c(CC[NH2+]Cc3ccc(-n4ccnc4)cc3)nc(=O)c2c1C ZINC000952975776 904654983 /nfs/dbraw/zinc/65/49/83/904654983.db2.gz LDWZOWQRDJDJFS-UHFFFAOYSA-N 2 0 379.489 3.532 50 0 GHAARP COc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)cc1C[NH+]1CCCC1 ZINC000952988602 904674052 /nfs/dbraw/zinc/67/40/52/904674052.db2.gz NJSRNDUUQDKQFH-UHFFFAOYSA-N 3 0 394.563 3.707 50 0 GHAARP C[NH+]1CCC(n2[nH]cc3nc(-c4ccc(C[NH+]5CCCCC5)s4)nc2-3)CC1 ZINC000019110622 919573366 /nfs/dbraw/zinc/57/33/66/919573366.db2.gz LNVZUSJZBVYQKH-UHFFFAOYSA-N 2 0 384.553 3.741 50 0 GHAARP c1[nH]nc(-c2cccc3ccccc32)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000023367032 207276092 /nfs/dbraw/zinc/27/60/92/207276092.db2.gz ZNZCQTKEXKZPGM-UHFFFAOYSA-N 2 0 390.531 3.774 50 0 GHAARP C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000023361170 207276267 /nfs/dbraw/zinc/27/62/67/207276267.db2.gz KABAHLIVUIANLA-RUZDIDTESA-N 2 0 392.591 3.685 50 0 GHAARP CC(C)=CCN1CC2(CC1=O)CC[NH+](Cc1cc(C[NH+](C)C)cs1)CC2 ZINC000095361996 208161006 /nfs/dbraw/zinc/16/10/06/208161006.db2.gz RDUVQVCUNVIODS-UHFFFAOYSA-N 2 0 375.582 3.590 50 0 GHAARP Cc1ccc2c(N3CCC[C@@H](c4nccn4CC[NH+](C)C)C3)cc[nH+]c2c1C ZINC000095382579 136178720 /nfs/dbraw/zinc/17/87/20/136178720.db2.gz SNOGALCOFTWNOE-LJQANCHMSA-N 2 0 377.536 3.994 50 0 GHAARP Cc1ccc(C[N@@H+]2CCN(c3cc[nH+]c4c(C)cc(C)cc34)C[C@H]2CCO)o1 ZINC000107003059 136201668 /nfs/dbraw/zinc/20/16/68/136201668.db2.gz ZFXIGXJBYGBZON-LJQANCHMSA-N 2 0 379.504 3.826 50 0 GHAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cnn(C(C)C)c3)CC2)cc1 ZINC000012457206 570669801 /nfs/dbraw/zinc/66/98/01/570669801.db2.gz AVUJOWKMIXEICA-UHFFFAOYSA-N 2 0 384.568 3.859 50 0 GHAARP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000012750372 571002766 /nfs/dbraw/zinc/00/27/66/571002766.db2.gz UEHPGFHPDGWLBZ-QGZVFWFLSA-N 2 0 395.503 3.518 50 0 GHAARP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc4ccncc4s3)cn2)CC1 ZINC000657839688 835874632 /nfs/dbraw/zinc/87/46/32/835874632.db2.gz YWFCBJJWVKWHKX-MRXNPFEDSA-N 2 0 381.549 3.684 50 0 GHAARP C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000019741946 839830985 /nfs/dbraw/zinc/83/09/85/839830985.db2.gz FMYFFRSEYGPAEA-HSZRJFAPSA-N 2 0 381.564 3.883 50 0 GHAARP O[C@@H](COc1cccc(C[NH2+]C2CCCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000012760276 859563067 /nfs/dbraw/zinc/56/30/67/859563067.db2.gz FLMRMYVIIGZJSM-HSZRJFAPSA-N 2 0 380.532 3.517 50 0 GHAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccc(OC)c(C)c2)CC1 ZINC000012318490 859896400 /nfs/dbraw/zinc/89/64/00/859896400.db2.gz IGWGJJBQTKXXJX-UHFFFAOYSA-N 2 0 397.563 3.759 50 0 GHAARP C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000014957688 207033354 /nfs/dbraw/zinc/03/33/54/207033354.db2.gz CTJNUQULCGVKJJ-QFIPXVFZSA-N 2 0 386.511 3.683 50 0 GHAARP O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000014979578 207036263 /nfs/dbraw/zinc/03/62/63/207036263.db2.gz VVIUMCRPPKRXNM-HXUWFJFHSA-N 2 0 387.568 3.795 50 0 GHAARP CCOC(=O)N1CCC([N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCCCC2)C3)CC1 ZINC000015073702 207044495 /nfs/dbraw/zinc/04/44/95/207044495.db2.gz RMSYFWUYLOBOJF-QHCPKHFHSA-N 2 0 391.600 3.976 50 0 GHAARP Cn1cncc1C[N@H+](C)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095524356 208223720 /nfs/dbraw/zinc/22/37/20/208223720.db2.gz DFPXZUVDLMYYQJ-UHFFFAOYSA-N 2 0 394.485 3.825 50 0 GHAARP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[C@H](C)C[C@H]1n1cncn1 ZINC000241326092 209019953 /nfs/dbraw/zinc/01/99/53/209019953.db2.gz LZGGPDVYWLRCKW-CEWLAPEOSA-N 2 0 385.556 3.518 50 0 GHAARP Cc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C2CC2)C3)nc(N)[nH+]1 ZINC000095379010 136178633 /nfs/dbraw/zinc/17/86/33/136178633.db2.gz GXQGFZHNNNBSGU-LJQANCHMSA-N 2 0 377.536 3.606 50 0 GHAARP CCOc1ccc(C[N@H+](CCc2ccccc2)C[C@@H]2CCC[NH+](C)C2)cc1CO ZINC000012581680 570683836 /nfs/dbraw/zinc/68/38/36/570683836.db2.gz LRRWFLPFHPFGNV-HSZRJFAPSA-N 2 0 396.575 3.964 50 0 GHAARP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000289656271 839560448 /nfs/dbraw/zinc/56/04/48/839560448.db2.gz ODUONUVZUJKKMJ-KRWDZBQOSA-N 2 0 380.467 3.736 50 0 GHAARP CCc1nc(C)c(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000011664546 856873182 /nfs/dbraw/zinc/87/31/82/856873182.db2.gz ZOFLLMGZXFPVHO-NRFANRHFSA-N 2 0 388.600 3.916 50 0 GHAARP O[C@@H](COc1ccc(C[NH2+]C2CCCCC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000011945357 858197811 /nfs/dbraw/zinc/19/78/11/858197811.db2.gz PNUVFOOWTKUGCG-XMMPIXPASA-N 2 0 394.559 3.907 50 0 GHAARP CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000952869666 904634294 /nfs/dbraw/zinc/63/42/94/904634294.db2.gz XYNLHXWXFHWIHB-QHCPKHFHSA-N 2 0 392.591 3.914 50 0 GHAARP COc1ccc(C[N@H+](C)Cc2ccc3nsnc3c2)cc1C[NH+]1CCCC1 ZINC000952982814 904668585 /nfs/dbraw/zinc/66/85/85/904668585.db2.gz MQNKOBVDRCXNSQ-UHFFFAOYSA-N 2 0 382.533 3.928 50 0 GHAARP COc1cc(C[N@H+](C)CC2CC[NH+](CCc3ccccc3F)CC2)ccc1O ZINC000015073986 207043926 /nfs/dbraw/zinc/04/39/26/207043926.db2.gz LXQUMYLOSNUNTK-UHFFFAOYSA-N 2 0 386.511 3.926 50 0 GHAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccccc1 ZINC000095521311 208220759 /nfs/dbraw/zinc/22/07/59/208220759.db2.gz WEGYIEZTFRXBMH-HXUWFJFHSA-N 2 0 397.538 3.742 50 0 GHAARP O[C@@H](COc1cccc(C[NH+]2CCC(F)(F)CC2)c1)C[NH+]1CCCCCC1 ZINC000095522905 208224187 /nfs/dbraw/zinc/22/41/87/208224187.db2.gz XCTRUBWVFDCDLX-LJQANCHMSA-N 2 0 382.495 3.533 50 0 GHAARP OCC[C@H]1CN(c2cc[nH+]c3ccccc32)CC[N@@H+]1CCCc1ccccc1 ZINC000072453589 136170959 /nfs/dbraw/zinc/17/09/59/136170959.db2.gz LZGAKGXFEONAAJ-NRFANRHFSA-N 2 0 375.516 3.741 50 0 GHAARP C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(-c3cccc4c(N)cc[nH+]c43)c1)C2 ZINC000534660555 570915437 /nfs/dbraw/zinc/91/54/37/570915437.db2.gz NIFVHHUHFDHABK-RBUKOAKNSA-N 2 0 386.499 3.623 50 0 GHAARP C[N@@H+]1CC2(C[C@@H]1C(=O)Nc1ccccc1)CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000675009774 840851247 /nfs/dbraw/zinc/85/12/47/840851247.db2.gz FPTJROZATVQMJG-OAQYLSRUSA-N 2 0 399.485 3.890 50 0 GHAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000012432044 862338416 /nfs/dbraw/zinc/33/84/16/862338416.db2.gz ZKNLMOVPWUNOJC-SFHVURJKSA-N 2 0 391.987 3.885 50 0 GHAARP CCOCC[NH+](CCOCC)Cc1ccccc1OCC[N@@H+]1CCC[C@H](C)C1 ZINC000823324738 863034467 /nfs/dbraw/zinc/03/44/67/863034467.db2.gz YWSYYQCDNOGNTR-NRFANRHFSA-N 2 0 392.584 3.672 50 0 GHAARP O=C(c1ccncc1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012574421 859427450 /nfs/dbraw/zinc/42/74/50/859427450.db2.gz NOMMQGUCGJFSLN-NRFANRHFSA-N 2 0 398.595 3.664 50 0 GHAARP C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)o3)cc2)CC1 ZINC000952962879 904641648 /nfs/dbraw/zinc/64/16/48/904641648.db2.gz HPLAUBMRIGGUOL-UHFFFAOYSA-N 2 0 383.492 3.601 50 0 GHAARP Cc1c[nH+]ccc1N1CCCN(C(=O)c2ccc([C@@H](C)[NH+]3CCCCC3)o2)CC1 ZINC000952976931 904656403 /nfs/dbraw/zinc/65/64/03/904656403.db2.gz RADSBKJVNUMGIZ-LJQANCHMSA-N 2 0 396.535 3.882 50 0 GHAARP COc1ccc(CC[N@@H+](Cc2cccc3nonc32)CC2CC[NH+](C)CC2)cc1 ZINC000011753643 206226843 /nfs/dbraw/zinc/22/68/43/206226843.db2.gz POWCQJFJTBENMU-UHFFFAOYSA-N 2 0 394.519 3.618 50 0 GHAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2cc(F)cc(F)c2)CC1 ZINC000015065284 207041812 /nfs/dbraw/zinc/04/18/12/207041812.db2.gz OTCHWWGBSOSFMP-UHFFFAOYSA-N 2 0 389.490 3.720 50 0 GHAARP c1ccc(CCC[NH+]2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019790020 207160693 /nfs/dbraw/zinc/16/06/93/207160693.db2.gz INIISLKUGWXAQL-UHFFFAOYSA-N 2 0 377.576 3.901 50 0 GHAARP Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@@H]2C=CC[NH2+]2)C2CCCC2)CC1 ZINC000095518671 208217040 /nfs/dbraw/zinc/21/70/40/208217040.db2.gz TWPRDYVCMZAZOM-DEOSSOPVSA-N 2 0 395.591 3.549 50 0 GHAARP COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095521042 208221030 /nfs/dbraw/zinc/22/10/30/208221030.db2.gz PUEHJGBWOATAII-HXUWFJFHSA-N 2 0 390.568 3.685 50 0 GHAARP Cc1ccsc1C[NH+]1CCC(C(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1 ZINC000006452117 570425698 /nfs/dbraw/zinc/42/56/98/570425698.db2.gz CZGMUTYAZIIIMY-UHFFFAOYSA-N 2 0 399.604 3.859 50 0 GHAARP CCc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1 ZINC000012228275 570629076 /nfs/dbraw/zinc/62/90/76/570629076.db2.gz UIGIWLDVCLITRB-NRFANRHFSA-N 2 0 385.596 3.794 50 0 GHAARP Cc1ccc(C)c(C[N@@H+]2CCOc3ccc(C[NH+]4CCC(O)CC4)cc3C2)c1 ZINC000055042546 570680049 /nfs/dbraw/zinc/68/00/49/570680049.db2.gz NACUANNZFYBNRO-UHFFFAOYSA-N 2 0 380.532 3.655 50 0 GHAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc(SC)c2)C[C@H]2CCCO2)CC1 ZINC000012583356 570879846 /nfs/dbraw/zinc/87/98/46/570879846.db2.gz CJEIOMQITJCXDC-OAQYLSRUSA-N 2 0 392.609 3.748 50 0 GHAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012592678 570884108 /nfs/dbraw/zinc/88/41/08/570884108.db2.gz DRXWBTLUMCLSSF-OAQYLSRUSA-N 2 0 391.987 3.933 50 0 GHAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000012432045 862339277 /nfs/dbraw/zinc/33/92/77/862339277.db2.gz ZKNLMOVPWUNOJC-GOSISDBHSA-N 2 0 391.987 3.885 50 0 GHAARP CSCCC[NH2+]Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011814799 858950219 /nfs/dbraw/zinc/95/02/19/858950219.db2.gz WMNVBPXXRBRNGW-HXUWFJFHSA-N 2 0 380.598 3.534 50 0 GHAARP c1cncc(-c2noc([C@@H]3CCC[N@H+](C4CCC5(CC[NH2+]CC5)CC4)C3)n2)c1 ZINC000067604279 888476824 /nfs/dbraw/zinc/47/68/24/888476824.db2.gz CCFLHPMHVBQDQX-GOSISDBHSA-N 2 0 381.524 3.623 50 0 GHAARP COc1cccc(N2CCC([N@@H+]3CCCN(c4cc[nH+]cc4C)CC3)CC2)c1 ZINC000952969392 904647257 /nfs/dbraw/zinc/64/72/57/904647257.db2.gz BCGKZBXQTYIQGJ-UHFFFAOYSA-N 2 0 380.536 3.580 50 0 GHAARP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C1([NH+]2CCCC2)CCCCC1 ZINC000952967045 904662773 /nfs/dbraw/zinc/66/27/73/904662773.db2.gz IFEYRTKMAIAWMS-UHFFFAOYSA-N 2 0 383.580 3.608 50 0 GHAARP COC[C@H](C)[NH+]1CCC([C@@H](Cc2ccccc2)[N@H+](C)Cc2ccncc2)CC1 ZINC000015000260 919353455 /nfs/dbraw/zinc/35/34/55/919353455.db2.gz WMKHFZPWKGHSBL-GBXCKJPGSA-N 2 0 381.564 3.872 50 0 GHAARP COC[C@@H](C)[NH+]1CCC([C@H](Cc2ccccc2)[N@H+](C)Cc2ccncc2)CC1 ZINC000015000262 919353613 /nfs/dbraw/zinc/35/36/13/919353613.db2.gz WMKHFZPWKGHSBL-YKSBVNFPSA-N 2 0 381.564 3.872 50 0 GHAARP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000019758345 919595466 /nfs/dbraw/zinc/59/54/66/919595466.db2.gz LUJUIJZTRMUMDR-XMMPIXPASA-N 2 0 378.564 3.642 50 0 GHAARP O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000015071472 207045273 /nfs/dbraw/zinc/04/52/73/207045273.db2.gz FUXOBWAKANHNQA-QFIPXVFZSA-N 2 0 383.580 3.669 50 0 GHAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccc(SC)cc2)C[C@H]2CCCO2)CC1 ZINC000012303262 207288324 /nfs/dbraw/zinc/28/83/24/207288324.db2.gz PZISGRYADNKUAW-OAQYLSRUSA-N 2 0 392.609 3.748 50 0 GHAARP C[NH+](C)CCCN1CC2(CCC1=O)CC[NH+](Cc1ccc3ccccc3c1)CC2 ZINC000095363578 208163247 /nfs/dbraw/zinc/16/32/47/208163247.db2.gz LIGGIWJMZVQEOB-UHFFFAOYSA-N 2 0 393.575 3.996 50 0 GHAARP Cc1nn(C)cc1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095378920 208173922 /nfs/dbraw/zinc/17/39/22/208173922.db2.gz SETWYODBOYNLBY-OAQYLSRUSA-N 2 0 378.564 3.963 50 0 GHAARP O=C(c1cccnc1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095517159 208215543 /nfs/dbraw/zinc/21/55/43/208215543.db2.gz NCYYAGQPBFIGIJ-NRFANRHFSA-N 2 0 398.595 3.664 50 0 GHAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cnc(COC)nc3)CC2)C1 ZINC000096162286 208281846 /nfs/dbraw/zinc/28/18/46/208281846.db2.gz DQVXFOYGAZQOES-JOCHJYFZSA-N 2 0 394.563 3.715 50 0 GHAARP Cc1ccc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2cccnc2)C[C@H]3CO)s1 ZINC000097425018 208354433 /nfs/dbraw/zinc/35/44/33/208354433.db2.gz FORISTLTXGKYOG-FQEVSTJZSA-N 2 0 385.577 3.548 50 0 GHAARP CC(C)CC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccncc1Cl)C[C@@H]2CO ZINC000097602605 208356395 /nfs/dbraw/zinc/35/63/95/208356395.db2.gz FRMSXIQTGNGMOI-LJQANCHMSA-N 2 0 379.976 3.678 50 0 GHAARP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246936966 209026002 /nfs/dbraw/zinc/02/60/02/209026002.db2.gz QOXMHYKRVXBPOR-VAMGGRTRSA-N 2 0 379.589 3.830 50 0 GHAARP Cc1cc(C)c2[nH+]ccc(N3CC[N@H+](Cc4ccsc4)[C@H](CCO)C3)c2c1 ZINC000072479072 136171326 /nfs/dbraw/zinc/17/13/26/136171326.db2.gz FICCLHIXVHNFKE-LJQANCHMSA-N 2 0 381.545 3.986 50 0 GHAARP OCC[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[N@@H+]1CCCc1ccccc1 ZINC000106985767 136191676 /nfs/dbraw/zinc/19/16/76/136191676.db2.gz LZGAKGXFEONAAJ-OAQYLSRUSA-N 2 0 375.516 3.741 50 0 GHAARP CC(C)[NH+]1CCC([N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)CC1 ZINC000011662284 570264092 /nfs/dbraw/zinc/26/40/92/570264092.db2.gz AOVRGTAPUMGCQC-UHFFFAOYSA-N 3 0 375.576 3.885 50 0 GHAARP O[C@H](COc1ccc(C[NH2+]CCCc2ccccc2)cc1)C[NH+]1CCCCC1 ZINC000012440078 570663910 /nfs/dbraw/zinc/66/39/10/570663910.db2.gz HWSDKHXOHRQBFX-QHCPKHFHSA-N 2 0 382.548 3.635 50 0 GHAARP COCC[N@@H+](Cc1cccc(O)c1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012577892 570683021 /nfs/dbraw/zinc/68/30/21/570683021.db2.gz PCHNCAIYTJIGBL-UHFFFAOYSA-N 2 0 386.511 3.892 50 0 GHAARP CC(C)[NH+]1CCC(N(CC[NH+](C)C)C(=S)Nc2cccc(Cl)c2)CC1 ZINC000003025998 862120418 /nfs/dbraw/zinc/12/04/18/862120418.db2.gz BGVXLTPCXPPGHP-UHFFFAOYSA-N 2 0 383.005 3.773 50 0 GHAARP CCc1cccc(NC(=S)N(CC[NH+](C)C)C2CC[NH+](C(C)C)CC2)c1 ZINC000003025991 862120483 /nfs/dbraw/zinc/12/04/83/862120483.db2.gz WOQBNWUKBJBYMU-UHFFFAOYSA-N 2 0 376.614 3.682 50 0 GHAARP O=C(C[NH+]1CCCCCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012022697 858539501 /nfs/dbraw/zinc/53/95/01/858539501.db2.gz RMBYCTBPJJWXIH-HSZRJFAPSA-N 2 0 387.543 3.516 50 0 GHAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc(Cl)c2)C[C@H]2CCCO2)CC1 ZINC000012298256 859761445 /nfs/dbraw/zinc/76/14/45/859761445.db2.gz PAQYLOQUJFBYBW-OAQYLSRUSA-N 2 0 380.960 3.679 50 0 GHAARP COCC[N@H+](C)Cc1ccc(CC2CC[NH+](Cc3scnc3C)CC2)cc1 ZINC000575553081 866192428 /nfs/dbraw/zinc/19/24/28/866192428.db2.gz UPNDYMSBUZBWIK-UHFFFAOYSA-N 2 0 387.593 3.984 50 0 GHAARP C[NH+](C)CCOc1cccc(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000585084640 897174789 /nfs/dbraw/zinc/17/47/89/897174789.db2.gz YHTHINCLWFCBIL-UHFFFAOYSA-N 2 0 382.483 3.788 50 0 GHAARP Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000001549377 206386016 /nfs/dbraw/zinc/38/60/16/206386016.db2.gz LFDOEFHQLNGBQQ-HNNXBMFYSA-N 2 0 386.496 3.806 50 0 in-vitro GHAARP C[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1 ZINC000014968612 207035166 /nfs/dbraw/zinc/03/51/66/207035166.db2.gz HXJQSXZGLWTVQT-QHCPKHFHSA-N 2 0 375.601 3.613 50 0 GHAARP COc1ccc(C[NH+]2CCCCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000095525074 208223558 /nfs/dbraw/zinc/22/35/58/208223558.db2.gz DPZZYJJDGUGNTD-QFIPXVFZSA-N 2 0 398.547 3.553 50 0 GHAARP [NH3+][C@H]1C[C@@H](c2cc(NCc3cccc(C[NH+]4CCCC4)c3)nc(C3CC3)n2)C1 ZINC000244748822 209023352 /nfs/dbraw/zinc/02/33/52/209023352.db2.gz OOYBFYVVCFIWHF-BGYRXZFFSA-N 2 0 377.536 3.767 50 0 GHAARP Fc1ccc(-n2cc(C[NH2+]CCC3CCN(c4cc[nH+]cc4)CC3)cn2)cc1 ZINC000095462165 136179212 /nfs/dbraw/zinc/17/92/12/136179212.db2.gz OKQLHQKGHIOBBQ-UHFFFAOYSA-N 2 0 379.483 3.803 50 0 GHAARP O[C@@H](COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1)C[NH+]1CCCCC1 ZINC000012074748 570605400 /nfs/dbraw/zinc/60/54/00/570605400.db2.gz HELJWKBFDCRQSM-HXUWFJFHSA-N 2 0 388.939 3.855 50 0 GHAARP C[NH+]1CCC(C[N@@H+]2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)CC1 ZINC000067772853 570790747 /nfs/dbraw/zinc/79/07/47/570790747.db2.gz GKANLSYOKOWIKJ-UHFFFAOYSA-N 2 0 387.911 3.644 50 0 GHAARP Cc1ccc(C[N@@H+](C)Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)o1 ZINC000012473718 570821073 /nfs/dbraw/zinc/82/10/73/570821073.db2.gz JCQHFZGCDHGLEC-NRFANRHFSA-N 2 0 386.536 3.836 50 0 GHAARP O=C(Nc1ccccc1C[NH+]1CCCCC1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000827733150 865096875 /nfs/dbraw/zinc/09/68/75/865096875.db2.gz GONCRLUOPCFGNW-FQEVSTJZSA-N 2 0 385.552 3.502 50 0 GHAARP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1([NH+]2CCCC2)CCCCC1 ZINC000952991412 904677070 /nfs/dbraw/zinc/67/70/70/904677070.db2.gz RJCLXAFWROHJKM-UHFFFAOYSA-N 2 0 387.543 3.705 50 0 GHAARP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCC(n2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000020453306 207195250 /nfs/dbraw/zinc/19/52/50/207195250.db2.gz NHXZZRMOQDLELO-CQSZACIVSA-N 2 0 395.473 3.759 50 0 GHAARP OCC[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)s2)CC[N@@H+]1C1CCCC1 ZINC000023358157 207274945 /nfs/dbraw/zinc/27/49/45/207274945.db2.gz ILCPCKAVBLMKJW-HXUWFJFHSA-N 2 0 391.625 3.545 50 0 GHAARP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N[C@H](C)c2ccccc2OC)CC1 ZINC000096007904 208252463 /nfs/dbraw/zinc/25/24/63/208252463.db2.gz ZVQGJGNESRDJQM-LJQANCHMSA-N 2 0 389.584 3.706 50 0 GHAARP CCCC[N@H+](C)Cc1ccccc1OC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000011879350 857863802 /nfs/dbraw/zinc/86/38/02/857863802.db2.gz NCPPAJZUCAMYRV-QHCPKHFHSA-N 2 0 382.548 3.717 50 0 GHAARP Cc1ccccc1CC[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012193841 859131005 /nfs/dbraw/zinc/13/10/05/859131005.db2.gz JZEOYUBKLXGSMM-QHCPKHFHSA-N 2 0 382.548 3.553 50 0 GHAARP Cc1ccc([C@H](C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)N(C)C)cc1 ZINC000952983245 904668413 /nfs/dbraw/zinc/66/84/13/904668413.db2.gz VPSXQIKTNABAHE-JOCHJYFZSA-N 2 0 383.511 3.518 50 0 GHAARP c1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc2nonc12 ZINC000012703200 919298661 /nfs/dbraw/zinc/29/86/61/919298661.db2.gz PVKGSKRMVOBPSV-OAQYLSRUSA-N 2 0 398.551 3.858 50 0 GHAARP CN(c1ccccc1C[NH2+]C[C@@H](O)c1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000759812189 926394964 /nfs/dbraw/zinc/39/49/64/926394964.db2.gz YMNISYOCZMACMF-JOCHJYFZSA-N 2 0 387.955 3.694 50 0 GHAARP O[C@H](COc1ccccc1C[NH2+]C1(c2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000015064690 207042440 /nfs/dbraw/zinc/04/24/40/207042440.db2.gz CJRDYXMBFCSULT-QFIPXVFZSA-N 2 0 380.532 3.691 50 0 GHAARP C[N@H+](CCc1ccccc1)[C@H]1CCCN(C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000020996324 207222929 /nfs/dbraw/zinc/22/29/29/207222929.db2.gz JQBYTZXUXSQJLX-VWLOTQADSA-N 2 0 392.591 3.685 50 0 GHAARP Cn1ncc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)c1C1CC1 ZINC000096130249 208266738 /nfs/dbraw/zinc/26/67/38/208266738.db2.gz OBCZCQMFWWGJNG-NRFANRHFSA-N 2 0 378.564 3.999 50 0 GHAARP CC(C)CC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccncc1Cl)C[C@H]2CO ZINC000097602607 208357317 /nfs/dbraw/zinc/35/73/17/208357317.db2.gz FRMSXIQTGNGMOI-IBGZPJMESA-N 2 0 379.976 3.678 50 0 GHAARP O=C([C@H]1CCC[N@@H+](C2CCN(c3cc[nH+]c4ccccc43)CC2)C1)N1CCCC1 ZINC000071745529 136165916 /nfs/dbraw/zinc/16/59/16/136165916.db2.gz JWTBRFUIQDPYHD-IBGZPJMESA-N 2 0 392.547 3.538 50 0 GHAARP CCc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1 ZINC000012228281 570628901 /nfs/dbraw/zinc/62/89/01/570628901.db2.gz UIGIWLDVCLITRB-OAQYLSRUSA-N 2 0 385.596 3.794 50 0 GHAARP CC[NH+](CC)CCOc1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000170592397 570851368 /nfs/dbraw/zinc/85/13/68/570851368.db2.gz VPQMXCCVQTYPNG-AJSBUHFISA-N 2 0 389.584 3.709 50 0 GHAARP C[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1 ZINC000014968608 207034819 /nfs/dbraw/zinc/03/48/19/207034819.db2.gz HXJQSXZGLWTVQT-HSZRJFAPSA-N 2 0 375.601 3.613 50 0 GHAARP COCC[NH+]1CCC(C[N@@H+](Cc2cc3ccccc3o2)C[C@H]2CCCO2)CC1 ZINC000012431320 207308955 /nfs/dbraw/zinc/30/89/55/207308955.db2.gz WMDNAQVYBVGSCL-OAQYLSRUSA-N 2 0 386.536 3.772 50 0 GHAARP Cc1cccc(-n2c(Cc3ccccc3)nnc2SCCC[NH2+]CCC[NH3+])c1 ZINC000012620893 570898788 /nfs/dbraw/zinc/89/87/88/570898788.db2.gz LGSLAPLXBBVASH-UHFFFAOYSA-N 2 0 395.576 3.587 50 0 GHAARP Cc1cc(C)cc(NC(=S)N(CC[NH+](C)C)C2CC[NH+](C(C)C)CC2)c1 ZINC000003025993 862120530 /nfs/dbraw/zinc/12/05/30/862120530.db2.gz BLDJRFOATZJLRF-UHFFFAOYSA-N 2 0 376.614 3.737 50 0 GHAARP C[N@H+](CCCNC(=O)c1ccc(CC2CC[NH+](C)CC2)cc1)C1CCCCC1 ZINC000581806307 870029402 /nfs/dbraw/zinc/02/94/02/870029402.db2.gz ZJRZTCUJRYZKRG-UHFFFAOYSA-N 2 0 385.596 3.955 50 0 GHAARP Cn1c2ccccc2nc1C[N@H+](CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000023312272 207273387 /nfs/dbraw/zinc/27/33/87/207273387.db2.gz CUPYZTMSPQQDKL-UHFFFAOYSA-N 2 0 376.548 3.960 50 0 GHAARP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000240902844 209019720 /nfs/dbraw/zinc/01/97/20/209019720.db2.gz IVTQBEBPAHBWTN-OALUTQOASA-N 2 0 388.987 3.785 50 0 GHAARP C[NH+]1CCC(O)(c2ccc3c(c2)C[N@@H+](CC2=CC[C@H]4C[C@@H]2C4(C)C)CCO3)CC1 ZINC000299757427 209083123 /nfs/dbraw/zinc/08/31/23/209083123.db2.gz JMMHQVWVGXCBMH-UNMCSNQZSA-N 2 0 396.575 3.787 50 0 GHAARP C[NH+](C)CCOc1ccccc1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000223503452 570469037 /nfs/dbraw/zinc/46/90/37/570469037.db2.gz ZKIMZNQQYMHARA-UHFFFAOYSA-N 2 0 388.939 3.764 50 0 GHAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](CCCc2ccccc2)CC1 ZINC000011879251 570591378 /nfs/dbraw/zinc/59/13/78/570591378.db2.gz SUZMKNQZDGGYOQ-HSZRJFAPSA-N 2 0 385.596 3.712 50 0 GHAARP O=C(NCc1ccccn1)C1CC[NH+](C2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000012448198 570667312 /nfs/dbraw/zinc/66/73/12/570667312.db2.gz OMSLUNBWJGUZKK-UHFFFAOYSA-N 2 0 398.595 3.597 50 0 GHAARP C(C[NH+]1CCCCC1)N(C[C@@H]1CCC[N@@H+](C2CCCC2)C1)C1CCOCC1 ZINC000022916437 846896733 /nfs/dbraw/zinc/89/67/33/846896733.db2.gz YUMNJSANMIPQQD-OAQYLSRUSA-N 2 0 377.617 3.608 50 0 GHAARP COC(=O)c1ccc(C[N@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)cc1 ZINC000012574382 858837231 /nfs/dbraw/zinc/83/72/31/858837231.db2.gz QLFCTMNSYBZZJO-UHFFFAOYSA-N 2 0 380.532 3.860 50 0 GHAARP C[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000012593201 859447848 /nfs/dbraw/zinc/44/78/48/859447848.db2.gz AGVFMTXZWGYUMA-QFIPXVFZSA-N 2 0 386.511 3.683 50 0 GHAARP O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000014976377 919352457 /nfs/dbraw/zinc/35/24/57/919352457.db2.gz WRKDTFJERUMZPH-OAQYLSRUSA-N 2 0 383.580 3.812 50 0 GHAARP O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCCCC1 ZINC000015074969 207046412 /nfs/dbraw/zinc/04/64/12/207046412.db2.gz RZRJTGOITMXIKR-UHFFFAOYSA-N 2 0 397.607 3.808 50 0 GHAARP CC(C)(CN1CCOCC1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CCCCC1)C2 ZINC000012073929 207280339 /nfs/dbraw/zinc/28/03/39/207280339.db2.gz VOTKVPYXHZVXPM-XMMPIXPASA-N 2 0 391.644 3.713 50 0 GHAARP C[NH+]1CCC(Cc2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)CC1 ZINC000072467787 208030882 /nfs/dbraw/zinc/03/08/82/208030882.db2.gz AUCAFBAMLPLIMA-UHFFFAOYSA-N 2 0 384.955 3.684 50 0 GHAARP Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@H]2C=CC[NH2+]2)C2CCCC2)CC1 ZINC000095518672 208217340 /nfs/dbraw/zinc/21/73/40/208217340.db2.gz TWPRDYVCMZAZOM-XMMPIXPASA-N 2 0 395.591 3.549 50 0 GHAARP O=c1occ(C[NH+]2CCCCCC2)c([O-])c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000101373447 208391544 /nfs/dbraw/zinc/39/15/44/208391544.db2.gz ULYPMYDQNRDGJO-IBGZPJMESA-N 2 0 382.504 3.711 50 0 GHAARP CCOc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC000062253114 570596537 /nfs/dbraw/zinc/59/65/37/570596537.db2.gz HYUGKXWPCQCSBS-HOTGVXAUSA-N 2 0 384.948 3.726 50 0 GHAARP CSc1ncc(C[N@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000055153565 570684962 /nfs/dbraw/zinc/68/49/62/570684962.db2.gz PHFQPJPDAZZXHS-UHFFFAOYSA-N 2 0 388.556 3.724 50 0 GHAARP O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000008341057 856131662 /nfs/dbraw/zinc/13/16/62/856131662.db2.gz KTDMKRMUGHALRX-FQEVSTJZSA-N 2 0 383.561 3.666 50 0 GHAARP CC[C@@H](C)C[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000011661298 856877024 /nfs/dbraw/zinc/87/70/24/856877024.db2.gz QCQRJHRHRSFASV-HXUWFJFHSA-N 2 0 385.596 3.568 50 0 GHAARP COc1ccc(C[NH2+]CCCC2CCCC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012594082 858996998 /nfs/dbraw/zinc/99/69/98/858996998.db2.gz PCGMWYVDPQMPKA-OAQYLSRUSA-N 2 0 392.584 3.835 50 0 GHAARP COCC[NH+]1CCC(C[N@H+](C/C=C/c2ccccc2)Cc2ccncc2)CC1 ZINC000012318453 859896052 /nfs/dbraw/zinc/89/60/52/859896052.db2.gz HGMPAGKVHYWHMD-VMPITWQZSA-N 2 0 379.548 3.955 50 0 GHAARP CC(C)[NH+]1CCC(CC(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)CC1 ZINC000012751340 919301882 /nfs/dbraw/zinc/30/18/82/919301882.db2.gz VMTQHETWAPWDJN-HSZRJFAPSA-N 2 0 385.596 3.662 50 0 GHAARP CCC[NH+]1CCC(CC(=O)NC[C@@H](c2ccccc2F)[NH+]2CCCC2)CC1 ZINC000097288808 211362721 /nfs/dbraw/zinc/36/27/21/211362721.db2.gz HDMQHGKRZFRZLL-NRFANRHFSA-N 2 0 375.532 3.591 50 0 GHAARP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000096999655 211354878 /nfs/dbraw/zinc/35/48/78/211354878.db2.gz SBTHFGATVMPKFR-WOJBJXKFSA-N 2 0 384.568 3.975 50 0 GHAARP Cc1cc(N2CCC([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)nc(N)[nH+]1 ZINC000072159255 136167274 /nfs/dbraw/zinc/16/72/74/136167274.db2.gz MNPQUXCKURRYBK-SFHVURJKSA-N 2 0 385.943 3.759 50 0 GHAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC=C(c4ccccc4)CC3)C2)CC1 ZINC000019219647 519670284 /nfs/dbraw/zinc/67/02/84/519670284.db2.gz VSZKIEMCMYXRHK-HSZRJFAPSA-N 2 0 395.591 3.887 50 0 GHAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](CCCc2ccccc2)CC1 ZINC000011879252 570591275 /nfs/dbraw/zinc/59/12/75/570591275.db2.gz SUZMKNQZDGGYOQ-QHCPKHFHSA-N 2 0 385.596 3.712 50 0 GHAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000012197348 570623535 /nfs/dbraw/zinc/62/35/35/570623535.db2.gz BGYQPOVWMDJWEM-KRWDZBQOSA-N 2 0 398.016 3.994 50 0 GHAARP C[C@H]1CCC[N@H+](CCOc2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)C1 ZINC000055211998 570688003 /nfs/dbraw/zinc/68/80/03/570688003.db2.gz IWEKLEIKWOMILL-SFHVURJKSA-N 2 0 382.504 3.816 50 0 GHAARP CC[NH+](CC)CCCNC(=O)c1ccc(-c2ccc3[nH+]ccc(N)c3c2)cc1 ZINC000534671612 570920694 /nfs/dbraw/zinc/92/06/94/570920694.db2.gz GUBVJLPBVUKBJW-UHFFFAOYSA-N 2 0 376.504 3.946 50 0 GHAARP C[NH+](C)CCOc1cccc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000023375477 836834771 /nfs/dbraw/zinc/83/47/71/836834771.db2.gz RSXKMOORNUMZDH-XMMPIXPASA-N 2 0 395.591 3.766 50 0 GHAARP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000172806510 856618257 /nfs/dbraw/zinc/61/82/57/856618257.db2.gz QOXMHYKRVXBPOR-AQNXPRMDSA-N 2 0 379.589 3.830 50 0 GHAARP CCc1nc(C)c(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000011664547 856874189 /nfs/dbraw/zinc/87/41/89/856874189.db2.gz ZOFLLMGZXFPVHO-OAQYLSRUSA-N 2 0 388.600 3.916 50 0 GHAARP O=C(Nc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000827733151 865097370 /nfs/dbraw/zinc/09/73/70/865097370.db2.gz GONCRLUOPCFGNW-HXUWFJFHSA-N 2 0 385.552 3.502 50 0 GHAARP COc1ccc(C[NH2+]C2CCCCCC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000014980745 210139616 /nfs/dbraw/zinc/13/96/16/210139616.db2.gz ACBPJXJBVGGJAU-FQEVSTJZSA-N 2 0 378.557 3.588 50 0 GHAARP Cc1cccc(C[NH2+]Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)c1 ZINC000014958189 210134346 /nfs/dbraw/zinc/13/43/46/210134346.db2.gz ANVUOSOFGAYPHC-QHCPKHFHSA-N 2 0 382.548 3.901 50 0 GHAARP CCC[NH+]1CCC(CC(=O)NC[C@H](c2ccccc2F)[NH+]2CCCC2)CC1 ZINC000097288809 211363250 /nfs/dbraw/zinc/36/32/50/211363250.db2.gz HDMQHGKRZFRZLL-OAQYLSRUSA-N 2 0 375.532 3.591 50 0 GHAARP CC(C)=CC(=O)N(CCC[NH+](C)C)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000096153090 211312231 /nfs/dbraw/zinc/31/22/31/211312231.db2.gz VPZSRFGXCKQICU-UHFFFAOYSA-N 2 0 397.607 3.612 50 0 GHAARP C[N@H+](C[C@H](O)COc1cccc(C[NH+]2CCC(F)CC2)c1)C1CCCCC1 ZINC000095504352 211255018 /nfs/dbraw/zinc/25/50/18/211255018.db2.gz IQJLGRIRSUDJAV-NRFANRHFSA-N 2 0 378.532 3.625 50 0 GHAARP O=C(NC1CCCC1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000020451860 210336122 /nfs/dbraw/zinc/33/61/22/210336122.db2.gz DFYVQPCISSUGOO-UHFFFAOYSA-N 2 0 397.607 3.854 50 0 GHAARP CCOc1ccc(C[NH+]2CCC(N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019885468 210305471 /nfs/dbraw/zinc/30/54/71/210305471.db2.gz MHEAHOFCMRUVKX-UHFFFAOYSA-N 2 0 393.575 3.868 50 0 GHAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CC=C(c4ccccc4)CC3)C2)CC1 ZINC000019219652 519670507 /nfs/dbraw/zinc/67/05/07/519670507.db2.gz VSZKIEMCMYXRHK-QHCPKHFHSA-N 2 0 395.591 3.887 50 0 GHAARP COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012431017 570659752 /nfs/dbraw/zinc/65/97/52/570659752.db2.gz DDHDPXYFISGECV-JOCHJYFZSA-N 2 0 398.547 3.519 50 0 GHAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000240902843 570685676 /nfs/dbraw/zinc/68/56/76/570685676.db2.gz IVTQBEBPAHBWTN-KDURUIRLSA-N 2 0 388.987 3.785 50 0 GHAARP CCn1cc(C[N@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)c(C)n1 ZINC000012596630 570689736 /nfs/dbraw/zinc/68/97/36/570689736.db2.gz OGPMZCIWRQGGFN-UHFFFAOYSA-N 2 0 384.568 3.607 50 0 GHAARP CC[C@H](C)C[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000011661299 856876891 /nfs/dbraw/zinc/87/68/91/856876891.db2.gz QCQRJHRHRSFASV-FQEVSTJZSA-N 2 0 385.596 3.568 50 0 GHAARP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNC2CC[NH+](CC)CC2)C[C@@]1(C)CO ZINC000015073614 210151218 /nfs/dbraw/zinc/15/12/18/210151218.db2.gz DAWUHHLWBIAURV-COPCDDAFSA-N 2 0 394.003 3.548 50 0 GHAARP CCN(CC)C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000020206132 210321932 /nfs/dbraw/zinc/32/19/32/210321932.db2.gz MPOTZEBYZNIIRW-UHFFFAOYSA-N 2 0 385.596 3.664 50 0 GHAARP COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012431016 570659441 /nfs/dbraw/zinc/65/94/41/570659441.db2.gz DDHDPXYFISGECV-QFIPXVFZSA-N 2 0 398.547 3.519 50 0 GHAARP C[NH+](C)C[C@H](O)COc1ccc(C[N@H+](C)Cc2cccc3ccccc32)cc1 ZINC000012580619 570684062 /nfs/dbraw/zinc/68/40/62/570684062.db2.gz VMOAPTGKHYILHO-QFIPXVFZSA-N 2 0 378.516 3.773 50 0 GHAARP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](Cn3c(C)cnc3-c3ccncc3)C2)CC1 ZINC000581807374 837680234 /nfs/dbraw/zinc/68/02/34/837680234.db2.gz IGICMMIKBYHKQQ-HXUWFJFHSA-N 2 0 381.568 3.840 50 0 GHAARP C[NH+](C)CCOc1cccc(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000023375479 836834523 /nfs/dbraw/zinc/83/45/23/836834523.db2.gz RSXKMOORNUMZDH-DEOSSOPVSA-N 2 0 395.591 3.766 50 0 GHAARP CC/C=C(/C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000822293497 862645670 /nfs/dbraw/zinc/64/56/70/862645670.db2.gz SNAWLDPBNDUBGR-KWIXBXSFSA-N 2 0 383.580 3.650 50 0 GHAARP O=C(c1ccncc1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012574417 859427386 /nfs/dbraw/zinc/42/73/86/859427386.db2.gz NOMMQGUCGJFSLN-OAQYLSRUSA-N 2 0 398.595 3.664 50 0 GHAARP Cc1ccc([C@@H](C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)N(C)C)cc1 ZINC000952983250 904668105 /nfs/dbraw/zinc/66/81/05/904668105.db2.gz VPSXQIKTNABAHE-QFIPXVFZSA-N 2 0 383.511 3.518 50 0 GHAARP Cn1c(SCC[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000299798895 212038783 /nfs/dbraw/zinc/03/87/83/212038783.db2.gz UKUWDIBLRZWIQQ-LJQANCHMSA-N 2 0 391.629 3.763 50 0 GHAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cnc(COC)nc3)CC2)C1 ZINC000096162287 211314747 /nfs/dbraw/zinc/31/47/47/211314747.db2.gz DQVXFOYGAZQOES-QFIPXVFZSA-N 2 0 394.563 3.715 50 0 GHAARP CC(C)=CC[NH+]1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095518110 211265167 /nfs/dbraw/zinc/26/51/67/211265167.db2.gz PANNDZILPHBJGH-QHCPKHFHSA-N 2 0 383.580 3.836 50 0 GHAARP Cc1cc(C)c2[nH+]ccc(N3CC[N@H+](Cc4ccsc4)[C@@H](CCO)C3)c2c1 ZINC000107008671 136191631 /nfs/dbraw/zinc/19/16/31/136191631.db2.gz FICCLHIXVHNFKE-IBGZPJMESA-N 2 0 381.545 3.986 50 0 GHAARP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000064817929 570553048 /nfs/dbraw/zinc/55/30/48/570553048.db2.gz JCWXCYOZOQHXDL-UHFFFAOYSA-N 2 0 389.543 3.600 50 0 GHAARP C[NH+](C)C[C@@H](O)COc1ccc(C[N@H+](C)Cc2cccc3ccccc32)cc1 ZINC000012580613 570683984 /nfs/dbraw/zinc/68/39/84/570683984.db2.gz VMOAPTGKHYILHO-JOCHJYFZSA-N 2 0 378.516 3.773 50 0 GHAARP C[C@H]1CCC[N@H+](CCCNC(=O)c2cc3c(s2)C[NH+](C2CCCC2)C3)C1 ZINC000065239012 570744027 /nfs/dbraw/zinc/74/40/27/570744027.db2.gz BMANKRFEGGFAKM-INIZCTEOSA-N 2 0 375.582 3.858 50 0 GHAARP CCN1CCC[C@@H]1C[N@@H+](Cc1ccccc1C)CC1CC[NH+](CCOC)CC1 ZINC000019219238 855728342 /nfs/dbraw/zinc/72/83/42/855728342.db2.gz NWSLZYUPYNNGPT-XMMPIXPASA-N 2 0 387.612 3.640 50 0 GHAARP O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)C1CC[NH+](Cc2ccco2)CC1 ZINC000827758274 865089718 /nfs/dbraw/zinc/08/97/18/865089718.db2.gz GWOOYWPADKOYEY-QFIPXVFZSA-N 2 0 399.510 3.584 50 0 GHAARP CC[N@H+](Cc1ccncc1)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000015066332 210149166 /nfs/dbraw/zinc/14/91/66/210149166.db2.gz QDULYCVMTJFITM-HSZRJFAPSA-N 2 0 397.563 3.719 50 0 GHAARP Cc1c[nH]c(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000095505735 211257452 /nfs/dbraw/zinc/25/74/52/211257452.db2.gz BOBORDYTJAZCKN-NRFANRHFSA-N 2 0 387.616 3.661 50 0 GHAARP CSc1ncc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)cn1 ZINC000091745450 211205313 /nfs/dbraw/zinc/20/53/13/211205313.db2.gz BVUDPCWLGOBYSY-HXUWFJFHSA-N 2 0 382.577 3.900 50 0 GHAARP COc1cc(C[NH2+]Cc2cccc3[nH]ccc32)ccc1OCC[NH+]1CCCC1 ZINC000067850002 211024413 /nfs/dbraw/zinc/02/44/13/211024413.db2.gz QOCVLKJTHBNDMF-UHFFFAOYSA-N 2 0 379.504 3.941 50 0 GHAARP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]CCC[NH+]1CCCCCC1 ZINC000006051589 570228871 /nfs/dbraw/zinc/22/88/71/570228871.db2.gz JZHJFEGGFAIVOW-OAQYLSRUSA-N 2 0 376.585 3.888 50 0 GHAARP COc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c2ccccc12 ZINC000048783015 570254150 /nfs/dbraw/zinc/25/41/50/570254150.db2.gz SMKPBDSFGPSUCM-UHFFFAOYSA-N 2 0 389.543 3.886 50 0 GHAARP C[N@@H+]1CC2(C[C@H]1C(=O)Nc1ccccc1)CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000675009770 840850850 /nfs/dbraw/zinc/85/08/50/840850850.db2.gz FPTJROZATVQMJG-NRFANRHFSA-N 2 0 399.485 3.890 50 0 GHAARP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000058309072 862457650 /nfs/dbraw/zinc/45/76/50/862457650.db2.gz VHTWCYYQGPTSKS-QHCPKHFHSA-N 2 0 377.532 3.736 50 0 GHAARP O[C@H](COc1ccc(Cl)cc1C[NH2+]C1CCCC1)C[NH+]1CCCCCC1 ZINC000012574556 858838220 /nfs/dbraw/zinc/83/82/20/858838220.db2.gz GFFOCDOYRGCROI-FQEVSTJZSA-N 2 0 380.960 3.988 50 0 GHAARP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC000105464600 859821285 /nfs/dbraw/zinc/82/12/85/859821285.db2.gz FJUAGACQBILKDJ-INIZCTEOSA-N 2 0 381.499 3.695 50 0 GHAARP C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H]([NH3+])C[C@H]2c2ccccc2)[C@H]1c1cccs1 ZINC000952852381 904629668 /nfs/dbraw/zinc/62/96/68/904629668.db2.gz HJTFZFIJOCEELA-JKBKZWBZSA-N 2 0 398.576 3.615 50 0 GHAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1)C1CC[NH+](C)CC1 ZINC000014980943 919351644 /nfs/dbraw/zinc/35/16/44/919351644.db2.gz RFJMUCZQVFCCMV-MRXNPFEDSA-N 2 0 398.016 3.946 50 0 GHAARP O=C1CC[C@H](CC[NH2+]Cc2ccccc2)N1CC1([NH+]2CCCCC2)CCCC1 ZINC000019841715 919599567 /nfs/dbraw/zinc/59/95/67/919599567.db2.gz JLDLOIUSRLLJIL-JOCHJYFZSA-N 2 0 383.580 3.956 50 0 GHAARP COc1ccc(C[NH2+]C2CCCC2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000015065859 210147150 /nfs/dbraw/zinc/14/71/50/210147150.db2.gz QSWZHMAREIJENA-OAQYLSRUSA-N 2 0 390.568 3.733 50 0 GHAARP COc1ccc(C[NH2+]C2CCCCCC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000014980747 210138459 /nfs/dbraw/zinc/13/84/59/210138459.db2.gz ACBPJXJBVGGJAU-HXUWFJFHSA-N 2 0 378.557 3.588 50 0 GHAARP O[C@@H](COc1cccc(C[N@@H+]2CCc3ccccc3C2)c1)C[NH+]1CCCCCC1 ZINC000014973403 210136152 /nfs/dbraw/zinc/13/61/52/210136152.db2.gz UMJUMTAACZAQPP-XMMPIXPASA-N 2 0 394.559 3.861 50 0 GHAARP CC[NH+](CC)C[C@H](O)COc1cc(C[N@@H+]2CCC3(CCCC3)C2)ccc1OC ZINC000095505529 211257786 /nfs/dbraw/zinc/25/77/86/211257786.db2.gz OSKFXDNLEWOWSW-FQEVSTJZSA-N 2 0 390.568 3.543 50 0 GHAARP CC[C@@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000020453906 210336909 /nfs/dbraw/zinc/33/69/09/210336909.db2.gz VVINXJAGIIWNGA-HXUWFJFHSA-N 2 0 385.596 3.710 50 0 GHAARP Cc1cc(N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C2CC2)C3)nc(N)[nH+]1 ZINC000095379009 136178793 /nfs/dbraw/zinc/17/87/93/136178793.db2.gz GXQGFZHNNNBSGU-IBGZPJMESA-N 2 0 377.536 3.606 50 0 GHAARP Cc1c(C)n(CCC[NH+]2CCOCC2)c2[nH+]c(-c3ccccc3)c(C)c(N)c12 ZINC000012389187 570634433 /nfs/dbraw/zinc/63/44/33/570634433.db2.gz AXCFSIMQLSHNAV-UHFFFAOYSA-N 2 0 378.520 3.933 50 0 GHAARP [NH3+]CCc1nc2ccccc2c(NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)n1 ZINC000065464248 570770072 /nfs/dbraw/zinc/77/00/72/570770072.db2.gz QLHZKGRIHSCYCZ-FQEVSTJZSA-N 2 0 379.483 3.519 50 0 GHAARP O[C@H](COc1cccc(C[NH2+]Cc2ccccc2F)c1)C[NH+]1CCCCCC1 ZINC000012596709 570884981 /nfs/dbraw/zinc/88/49/81/570884981.db2.gz CWHPBJRXLUNZHC-NRFANRHFSA-N 2 0 386.511 3.731 50 0 GHAARP O[C@@H](COc1cccc(C[NH2+]Cc2ccccc2F)c1)C[NH+]1CCCCCC1 ZINC000012596704 570885023 /nfs/dbraw/zinc/88/50/23/570885023.db2.gz CWHPBJRXLUNZHC-OAQYLSRUSA-N 2 0 386.511 3.731 50 0 GHAARP Cc1ccc(-c2ccccc2C[NH+]2CCC(CCC(=O)NCC[NH+](C)C)CC2)o1 ZINC000012300277 859786437 /nfs/dbraw/zinc/78/64/37/859786437.db2.gz JBIHLLNBXSZGIK-UHFFFAOYSA-N 2 0 397.563 3.925 50 0 GHAARP c1ccc(CC[NH+]2CCC(NC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000000757906 918043748 /nfs/dbraw/zinc/04/37/48/918043748.db2.gz JWYCNFYRBTWZBM-UHFFFAOYSA-N 2 0 377.576 3.948 50 0 GHAARP Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000426518626 231234071 /nfs/dbraw/zinc/23/40/71/231234071.db2.gz BDYNRGYVBREQBT-HXUWFJFHSA-N 2 0 385.596 3.847 50 0 GHAARP CSc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000014981172 210139192 /nfs/dbraw/zinc/13/91/92/210139192.db2.gz CLXOMWIFFMCZEL-IBGZPJMESA-N 2 0 389.609 3.610 50 0 GHAARP COc1ccc(C[NH2+]Cc2ccccc2C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000014955678 210133130 /nfs/dbraw/zinc/13/31/30/210133130.db2.gz RLSJUFUHOFYPFJ-JOCHJYFZSA-N 2 0 398.547 3.519 50 0 GHAARP O=C(c1cccnc1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095517158 211265328 /nfs/dbraw/zinc/26/53/28/211265328.db2.gz NCYYAGQPBFIGIJ-OAQYLSRUSA-N 2 0 398.595 3.664 50 0 GHAARP CCN1C[C@]2(CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)CCC1=O ZINC000082099397 211160187 /nfs/dbraw/zinc/16/01/87/211160187.db2.gz GYHLRSFOLAVLFF-OAQYLSRUSA-N 2 0 375.582 3.568 50 0 GHAARP Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000019810561 210299916 /nfs/dbraw/zinc/29/99/16/210299916.db2.gz GXZIDOQQOOQXDK-GOSISDBHSA-N 2 0 383.536 3.891 50 0 GHAARP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@H]1c1ccccc1 ZINC000106920672 570969024 /nfs/dbraw/zinc/96/90/24/570969024.db2.gz QYGUSLVJRGZLOY-TXTKFYIRSA-N 2 0 397.950 3.581 50 0 GHAARP COc1cc(C[NH2+]C2CCCCCCC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012592803 859448089 /nfs/dbraw/zinc/44/80/89/859448089.db2.gz QFLHEPOHBJNOEF-NRFANRHFSA-N 2 0 392.584 3.978 50 0 GHAARP Nc1cc[nH+]c(-c2ccc(C(=O)N3CCC[N@@H+](C4CCCCC4)CC3)cc2)c1 ZINC000426673951 231251492 /nfs/dbraw/zinc/25/14/92/231251492.db2.gz AFJPVEZXQIJLST-UHFFFAOYSA-N 2 0 378.520 3.811 50 0 GHAARP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N1CCc2ccccc21 ZINC000014183609 210107649 /nfs/dbraw/zinc/10/76/49/210107649.db2.gz XKTGELOMLAYMIQ-LJQANCHMSA-N 2 0 377.532 3.740 50 0 GHAARP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc4ccccc43)C[C@H]2CCO)CC1 ZINC000104513051 570259784 /nfs/dbraw/zinc/25/97/84/570259784.db2.gz VTCPZZPZFUCXIJ-XMMPIXPASA-N 2 0 395.591 3.581 50 0 GHAARP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cnc[nH]2)C[C@@H]2CCCO2)CC1 ZINC000011936549 570594091 /nfs/dbraw/zinc/59/40/91/570594091.db2.gz UTFKQUXJHTZDHU-QHCPKHFHSA-N 2 0 382.552 3.611 50 0 GHAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1)C1CC[NH+](C)CC1 ZINC000012457178 570669530 /nfs/dbraw/zinc/66/95/30/570669530.db2.gz CKKHGXXHDNWUIP-LJQANCHMSA-N 2 0 397.563 3.978 50 0 GHAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1)C1CC[NH+](C)CC1 ZINC000012457176 570669554 /nfs/dbraw/zinc/66/95/54/570669554.db2.gz CKKHGXXHDNWUIP-IBGZPJMESA-N 2 0 397.563 3.978 50 0 GHAARP c1cncc(-c2noc([C@H]3CCC[N@H+](C4CCC5(CC[NH2+]CC5)CC4)C3)n2)c1 ZINC000067604281 888477288 /nfs/dbraw/zinc/47/72/88/888477288.db2.gz CCFLHPMHVBQDQX-SFHVURJKSA-N 2 0 381.524 3.623 50 0 GHAARP CCOC(=O)N1CCC([N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCCCC2)C3)CC1 ZINC000015073701 210150722 /nfs/dbraw/zinc/15/07/22/210150722.db2.gz RMSYFWUYLOBOJF-HSZRJFAPSA-N 2 0 391.600 3.976 50 0 GHAARP CC(C)CNC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000015066772 210147157 /nfs/dbraw/zinc/14/71/57/210147157.db2.gz JMLZQLUHRGPGRC-UHFFFAOYSA-N 2 0 385.596 3.568 50 0 GHAARP COc1ccc(C[NH2+]Cc2ccccc2C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000014955674 210132955 /nfs/dbraw/zinc/13/29/55/210132955.db2.gz RLSJUFUHOFYPFJ-QFIPXVFZSA-N 2 0 398.547 3.519 50 0 GHAARP O[C@H](COc1cccc(C[NH+]2CCC(F)(F)CC2)c1)C[NH+]1CCCCCC1 ZINC000095522906 211270465 /nfs/dbraw/zinc/27/04/65/211270465.db2.gz XCTRUBWVFDCDLX-IBGZPJMESA-N 2 0 382.495 3.533 50 0 GHAARP CC(C)(C)C[N@@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@@H]1CCO ZINC000039551951 570593677 /nfs/dbraw/zinc/59/36/77/570593677.db2.gz BEIJQDOEUYKRRN-IBGZPJMESA-N 2 0 393.641 3.649 50 0 GHAARP O=C(CCC1CC[NH+](Cc2ccoc2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012057722 570603109 /nfs/dbraw/zinc/60/31/09/570603109.db2.gz DJUXLJCNUBTWFP-HSZRJFAPSA-N 2 0 395.547 3.663 50 0 GHAARP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](CC)CCC(F)(F)F)cc1)C(C)C ZINC000170613047 570870891 /nfs/dbraw/zinc/87/08/91/570870891.db2.gz YDAAGJLRUBTXSO-UHFFFAOYSA-N 2 0 387.490 3.921 50 0 GHAARP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000289656275 839560668 /nfs/dbraw/zinc/56/06/68/839560668.db2.gz ODUONUVZUJKKMJ-QGZVFWFLSA-N 2 0 380.467 3.736 50 0 GHAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH+]2CCCCCCC2)cc1OC ZINC000012578961 858867153 /nfs/dbraw/zinc/86/71/53/858867153.db2.gz UYTNPQBDCOGQKO-FQEVSTJZSA-N 2 0 378.557 3.543 50 0 GHAARP COCC[N@H+](Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1)C(C)C ZINC000012209110 859314136 /nfs/dbraw/zinc/31/41/36/859314136.db2.gz NSTLNQVSZDLUIT-JOCHJYFZSA-N 2 0 392.584 3.548 50 0 GHAARP CN1CC[NH+](Cc2ccc(CC3CC[NH+](Cc4ccc(O)cc4)CC3)cc2)CC1 ZINC000581810153 870041893 /nfs/dbraw/zinc/04/18/93/870041893.db2.gz BTUBGWCDKAXZAX-UHFFFAOYSA-N 2 0 393.575 3.594 50 0 GHAARP Cc1cc(C[NH2+]Cc2cc3ccccc3[nH]2)c(C)c(C[NH+]2CCN(C)CC2)c1 ZINC000952872496 904635621 /nfs/dbraw/zinc/63/56/21/904635621.db2.gz QNSKDGQIDYKUDF-UHFFFAOYSA-N 2 0 376.548 3.822 50 0 GHAARP O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCC3)s2)C1)NC1CC1 ZINC000015066328 919357603 /nfs/dbraw/zinc/35/76/03/919357603.db2.gz ZQOJBHURTFZSGP-KRWDZBQOSA-N 2 0 375.582 3.615 50 0 GHAARP C[N@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CC[NH2+]CC2)cc1 ZINC000299779623 212037663 /nfs/dbraw/zinc/03/76/63/212037663.db2.gz KMYNTCRBXZWWEL-UHFFFAOYSA-N 2 0 395.572 3.817 50 0 GHAARP Cn1ncc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)c1C1CC1 ZINC000096130250 211305109 /nfs/dbraw/zinc/30/51/09/211305109.db2.gz OBCZCQMFWWGJNG-OAQYLSRUSA-N 2 0 378.564 3.999 50 0 GHAARP CC(C)=CC[NH+]1CCC(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095518109 211264313 /nfs/dbraw/zinc/26/43/13/211264313.db2.gz PANNDZILPHBJGH-HSZRJFAPSA-N 2 0 383.580 3.836 50 0 GHAARP COc1ccc(C[NH+]2CCCCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000095525075 211270869 /nfs/dbraw/zinc/27/08/69/211270869.db2.gz DPZZYJJDGUGNTD-JOCHJYFZSA-N 2 0 398.547 3.553 50 0 GHAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1OC ZINC000095498900 211252778 /nfs/dbraw/zinc/25/27/78/211252778.db2.gz UODKFSVBVSHZCM-FQEVSTJZSA-N 2 0 390.568 3.543 50 0 GHAARP C[NH+](C)Cc1csc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)c1 ZINC000095382340 211231696 /nfs/dbraw/zinc/23/16/96/211231696.db2.gz IRNQTFQZKFVDPK-YLJYHZDGSA-N 2 0 383.561 3.546 50 0 GHAARP Cc1ccc([C@@H]2C[N@H+](Cc3ccc(CC[NH3+])cc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095370606 211227159 /nfs/dbraw/zinc/22/71/59/211227159.db2.gz MQQAVNHQRUNOBV-ISJGIBHGSA-N 2 0 375.560 3.558 50 0 GHAARP O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000011821844 221128807 /nfs/dbraw/zinc/12/88/07/221128807.db2.gz DWPPJKCVZXZXDQ-UHFFFAOYSA-N 2 0 398.595 3.597 50 0 GHAARP Fc1ccccc1C[NH+]1CCC(C[N@H+](C[C@H]2CCCO2)C2CCOCC2)CC1 ZINC000011873073 570589309 /nfs/dbraw/zinc/58/93/09/570589309.db2.gz YVNUKFDWJFDHBX-JOCHJYFZSA-N 2 0 390.543 3.698 50 0 GHAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc(SC)c2)C[C@@H]2CCCO2)CC1 ZINC000012583349 570879981 /nfs/dbraw/zinc/87/99/81/570879981.db2.gz CJEIOMQITJCXDC-NRFANRHFSA-N 2 0 392.609 3.748 50 0 GHAARP c1ccc2c(c1)CCO[C@H]2C[NH2+]CCCCC[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000002102015 570942114 /nfs/dbraw/zinc/94/21/14/570942114.db2.gz NEHYCGHZQBAVCX-DQEYMECFSA-N 2 0 394.559 3.964 50 0 biogenic GHAARP CCN1CCC[C@@H]1C[N@H+](C/C=C/c1ccccc1)CC1CC[NH+](CCOC)CC1 ZINC000023359157 836751152 /nfs/dbraw/zinc/75/11/52/836751152.db2.gz MXYIWOGWKVHMHF-XIHLAWMYSA-N 2 0 399.623 3.845 50 0 GHAARP CC[C@H](c1ccccc1)[N@H+](C)Cc1ccc(-c2nc3c(c(=O)[nH]2)C[NH2+]CC3)cc1 ZINC000023429927 837074313 /nfs/dbraw/zinc/07/43/13/837074313.db2.gz FNGFDGKNYJPAJX-JOCHJYFZSA-N 2 0 388.515 3.666 50 0 GHAARP COCc1ccc(C[N@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)o1 ZINC000012475834 856011850 /nfs/dbraw/zinc/01/18/50/856011850.db2.gz SWSQDGHACDUWAJ-UHFFFAOYSA-N 2 0 386.536 3.821 50 0 GHAARP CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000012613035 859215762 /nfs/dbraw/zinc/21/57/62/859215762.db2.gz NBABUGOEKPUTTH-HSZRJFAPSA-N 2 0 385.596 3.582 50 0 GHAARP COc1ccc(C[NH2+]CCC2=CCCCC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000012301983 859825394 /nfs/dbraw/zinc/82/53/94/859825394.db2.gz RRZPELDFCLXRNY-NRFANRHFSA-N 2 0 388.552 3.511 50 0 GHAARP O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000015073088 210149472 /nfs/dbraw/zinc/14/94/72/210149472.db2.gz NSKFZRCZCOXGGN-OAQYLSRUSA-N 2 0 387.568 3.653 50 0 GHAARP CC[N@H+](C)C1(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[NH+]3CCC[C@H]23)CCCCC1 ZINC000299758241 212030873 /nfs/dbraw/zinc/03/08/73/212030873.db2.gz NKOXNOZHAFPUSZ-BDTNDASRSA-N 2 0 383.580 3.983 50 0 GHAARP O=C(c1ccc[nH]1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095518884 211264858 /nfs/dbraw/zinc/26/48/58/211264858.db2.gz PGZNMKHQBCASBH-HXUWFJFHSA-N 2 0 386.584 3.597 50 0 GHAARP CCNc1ncc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)cn1 ZINC000091351219 211189419 /nfs/dbraw/zinc/18/94/19/211189419.db2.gz IGSKFHQVSTXWOL-OAQYLSRUSA-N 2 0 379.552 3.610 50 0 GHAARP CC[C@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000020453908 210335799 /nfs/dbraw/zinc/33/57/99/210335799.db2.gz VVINXJAGIIWNGA-FQEVSTJZSA-N 2 0 385.596 3.710 50 0 GHAARP O[C@H]1[C@H]([NH+]2CCCC2)c2ccccc2C12CC[NH+](C/C=C/c1ccco1)CC2 ZINC000019853273 210301357 /nfs/dbraw/zinc/30/13/57/210301357.db2.gz ZJDOXTUKLUCBRB-BERBRYSFSA-N 2 0 378.516 3.838 50 0 GHAARP Fc1ccccc1C[NH+]1CCC(C[N@H+](C[C@@H]2CCCO2)C2CCOCC2)CC1 ZINC000011873072 570589424 /nfs/dbraw/zinc/58/94/24/570589424.db2.gz YVNUKFDWJFDHBX-QFIPXVFZSA-N 2 0 390.543 3.698 50 0 GHAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCC2=CCCCC2)cc1OC ZINC000012430811 570659162 /nfs/dbraw/zinc/65/91/62/570659162.db2.gz AUHBKHPJHRLAOZ-NRFANRHFSA-N 2 0 390.568 3.757 50 0 GHAARP Cc1cc(C)c(C[N@@H+]2CCOc3ccc(C[NH+]4CCC(O)CC4)cc3C2)cc1C ZINC000055052806 570680020 /nfs/dbraw/zinc/68/00/20/570680020.db2.gz UANUOONSEJWLJC-UHFFFAOYSA-N 2 0 394.559 3.963 50 0 GHAARP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000004699264 570843735 /nfs/dbraw/zinc/84/37/35/570843735.db2.gz QHTFZPHOXPPTBN-UHFFFAOYSA-N 2 0 399.501 3.621 50 0 GHAARP c1ccc(C[N@@H+]2C[C@H]3CCN(C4CC[NH+](Cc5ccccc5)CC4)C[C@H]32)cc1 ZINC000257193447 838973989 /nfs/dbraw/zinc/97/39/89/838973989.db2.gz RQCDDHABHXXMIN-ILBGXUMGSA-N 2 0 375.560 3.857 50 0 GHAARP Cc1nnc([C@@H]2C[N@H+](CCc3ccccc3)CC23CC[NH+](CC2CC2)CC3)o1 ZINC000675015238 840885107 /nfs/dbraw/zinc/88/51/07/840885107.db2.gz NHUYBMNVTBYENA-NRFANRHFSA-N 2 0 380.536 3.512 50 0 GHAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH+]2CCCCCCC2)cc1OC ZINC000012578951 858866536 /nfs/dbraw/zinc/86/65/36/858866536.db2.gz UYTNPQBDCOGQKO-HXUWFJFHSA-N 2 0 378.557 3.543 50 0 GHAARP CSCCC[NH2+]Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011814797 858950387 /nfs/dbraw/zinc/95/03/87/858950387.db2.gz WMNVBPXXRBRNGW-FQEVSTJZSA-N 2 0 380.598 3.534 50 0 GHAARP Cc1cc(C)c(-n2cccn2)c(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)c1 ZINC000952966891 904660829 /nfs/dbraw/zinc/66/08/29/904660829.db2.gz HFTSXBXYWOZCQY-UHFFFAOYSA-N 2 0 375.520 3.905 50 0 GHAARP O=C1CC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)CCN1CC1CCCCC1 ZINC000015002084 919352990 /nfs/dbraw/zinc/35/29/90/919352990.db2.gz ONHXGOTXQYQPSJ-OAQYLSRUSA-N 2 0 375.601 3.898 50 0 GHAARP CSCCC[NH2+]Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000015069372 919357866 /nfs/dbraw/zinc/35/78/66/919357866.db2.gz FOVXJTJBFJWUGI-FQEVSTJZSA-N 2 0 380.598 3.534 50 0 GHAARP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccnc(-n4ccnc4)c3)cc2)C1 ZINC000131810032 231026025 /nfs/dbraw/zinc/02/60/25/231026025.db2.gz NAOAYIGAPSALQE-KRWDZBQOSA-N 2 0 375.476 3.752 50 0 GHAARP Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000426518623 231234006 /nfs/dbraw/zinc/23/40/06/231234006.db2.gz BDYNRGYVBREQBT-FQEVSTJZSA-N 2 0 385.596 3.847 50 0 GHAARP O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000015073089 210150017 /nfs/dbraw/zinc/15/00/17/210150017.db2.gz NSKFZRCZCOXGGN-NRFANRHFSA-N 2 0 387.568 3.653 50 0 GHAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000014953864 210133526 /nfs/dbraw/zinc/13/35/26/210133526.db2.gz YEJQTXDLIRAUGJ-WBOGLDCHSA-N 2 0 387.612 3.512 50 0 GHAARP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095375541 211229894 /nfs/dbraw/zinc/22/98/94/211229894.db2.gz AVMUPPIYPLWHSS-UHFFFAOYSA-N 2 0 383.580 3.943 50 0 GHAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1cccc3ccccc31)CC[NH+](C)CC2 ZINC000072475045 211122510 /nfs/dbraw/zinc/12/25/10/211122510.db2.gz FTGJFAFKDZFDAE-QFIPXVFZSA-N 2 0 379.548 3.652 50 0 GHAARP CCn1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000012049416 858682626 /nfs/dbraw/zinc/68/26/26/858682626.db2.gz IGZMSFRSEOBSFZ-HSZRJFAPSA-N 2 0 388.600 3.847 50 0 GHAARP C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2)CC1 ZINC000823764828 863175753 /nfs/dbraw/zinc/17/57/53/863175753.db2.gz JIRFWIOFFFMLRB-QHCPKHFHSA-N 2 0 393.531 3.763 50 0 GHAARP C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000020996322 210373157 /nfs/dbraw/zinc/37/31/57/210373157.db2.gz JQBYTZXUXSQJLX-RUZDIDTESA-N 2 0 392.591 3.685 50 0 GHAARP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000019865434 210304481 /nfs/dbraw/zinc/30/44/81/210304481.db2.gz UBMGGYQGPCAWDE-XMMPIXPASA-N 2 0 378.564 3.642 50 0 GHAARP C[NH+](C)Cc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000024971228 570411917 /nfs/dbraw/zinc/41/19/17/570411917.db2.gz VIQKFSGNOOMCEQ-UHFFFAOYSA-N 2 0 394.563 3.734 50 0 GHAARP C[NH+](C)C[C@@H](O)COc1ccc(C[N@H+](C)Cc2ccccc2C(F)(F)F)cc1 ZINC000011753748 570580903 /nfs/dbraw/zinc/58/09/03/570580903.db2.gz NKOBIKYJICSBCM-GOSISDBHSA-N 2 0 396.453 3.639 50 0 GHAARP COc1ccc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc1O ZINC000012467170 570671588 /nfs/dbraw/zinc/67/15/88/570671588.db2.gz CMLATOZLOCIBHJ-UHFFFAOYSA-N 2 0 386.511 3.926 50 0 GHAARP CCCC[N@H+](C)Cc1ccccc1OC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000011879351 857863570 /nfs/dbraw/zinc/86/35/70/857863570.db2.gz NCPPAJZUCAMYRV-HSZRJFAPSA-N 2 0 382.548 3.717 50 0 GHAARP O=C(c1ccoc1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012578498 859434172 /nfs/dbraw/zinc/43/41/72/859434172.db2.gz UFAWRJXSCKONBN-FQEVSTJZSA-N 2 0 387.568 3.862 50 0 GHAARP CN(C)C(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](C[NH+]1Cc1ccccc1)[C@@H]23 ZINC000257187393 859839498 /nfs/dbraw/zinc/83/94/98/859839498.db2.gz LRPVJDGEUZXYOR-NXYDZRKXSA-N 2 0 383.580 3.620 50 0 GHAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@@H]2CCCO2)CC1 ZINC000012716087 919299278 /nfs/dbraw/zinc/29/92/78/919299278.db2.gz HFDFXOXRDLTTAP-IBGZPJMESA-N 2 0 398.950 3.819 50 0 GHAARP Cc1cc(C[NH+]2CCC3(CN(CCC[N@@H+](C)CC(C)C)C(=O)O3)CC2)oc1C ZINC000072473730 211122088 /nfs/dbraw/zinc/12/20/88/211122088.db2.gz LGABZNJCBFFYOJ-UHFFFAOYSA-N 2 0 391.556 3.661 50 0 GHAARP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+](Cc3cccc(F)c3)CC2)OC1=O ZINC000072454787 211121608 /nfs/dbraw/zinc/12/16/08/211121608.db2.gz NEDSGGXKTRQEIR-UHFFFAOYSA-N 2 0 391.531 3.590 50 0 GHAARP CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc(C[NH+]4CCCCC4)cs3)[C@H]2C1 ZINC000426661149 533262087 /nfs/dbraw/zinc/26/20/87/533262087.db2.gz ARNIYSCXDAYWFU-SESVDKBCSA-N 2 0 378.582 3.892 50 0 GHAARP C[C@H]1CCC[N@H+](CCOc2ccccc2C[NH+]2CCC(c3ncc[nH]3)CC2)C1 ZINC000216127430 570296313 /nfs/dbraw/zinc/29/63/13/570296313.db2.gz MRKLCNOAYIHMPJ-IBGZPJMESA-N 2 0 382.552 3.900 50 0 GHAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]C2(c3ccccc3)CC2)ccc1OC ZINC000012463523 570671210 /nfs/dbraw/zinc/67/12/10/570671210.db2.gz XPVRTZCQQORZBI-OAQYLSRUSA-N 2 0 398.547 3.556 50 0 GHAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]C2CCCCCCC2)cc1OC ZINC000012473856 570673338 /nfs/dbraw/zinc/67/33/38/570673338.db2.gz KZFAFKGDOREWGU-OAQYLSRUSA-N 2 0 392.584 3.979 50 0 GHAARP C[N@H+](C[C@H](O)COc1ccccc1C[NH+]1CCC(F)(F)CC1)C1CCCCC1 ZINC000095516377 571083841 /nfs/dbraw/zinc/08/38/41/571083841.db2.gz BGSRLJQBWRCEAO-FQEVSTJZSA-N 2 0 396.522 3.922 50 0 GHAARP Cc1nnc([C@H]2C[N@H+](CCc3ccccc3)CC23CC[NH+](CC2CC2)CC3)o1 ZINC000675015246 840885304 /nfs/dbraw/zinc/88/53/04/840885304.db2.gz NHUYBMNVTBYENA-OAQYLSRUSA-N 2 0 380.536 3.512 50 0 GHAARP CCCN(CC1CC1)C(=O)CCC[C@H]1[NH2+]C[C@@H]2C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000257174920 859355002 /nfs/dbraw/zinc/35/50/02/859355002.db2.gz MAJQBMKPKWYACC-KMDXXIMOSA-N 2 0 397.607 3.915 50 0 GHAARP CCc1oc(C(=O)N[C@H](C)C[N@@H+]2CCc3ccccc3C2)cc1C[NH+]1CCCC1 ZINC000823570775 863127919 /nfs/dbraw/zinc/12/79/19/863127919.db2.gz QJGBXBUAGPTWRZ-GOSISDBHSA-N 2 0 395.547 3.614 50 0 GHAARP COc1ccc(C[NH2+]CCCC2CCCC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000012713042 919298909 /nfs/dbraw/zinc/29/89/09/919298909.db2.gz BOFTZGPKYLVMCK-NRFANRHFSA-N 2 0 390.568 3.591 50 0 GHAARP COc1ccc(C[NH2+]CCCC2CCCC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000012713047 919300101 /nfs/dbraw/zinc/30/01/01/919300101.db2.gz BOFTZGPKYLVMCK-OAQYLSRUSA-N 2 0 390.568 3.591 50 0 GHAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1)C1CC[NH+](C)CC1 ZINC000014980941 919351763 /nfs/dbraw/zinc/35/17/63/919351763.db2.gz RFJMUCZQVFCCMV-INIZCTEOSA-N 2 0 398.016 3.946 50 0 GHAARP CCOC(=O)N1CCC([N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)CC1 ZINC000055228232 924038102 /nfs/dbraw/zinc/03/81/02/924038102.db2.gz NDFCMPMIRJZCMB-DEOSSOPVSA-N 2 0 399.579 3.904 50 0 GHAARP [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000426440274 231222366 /nfs/dbraw/zinc/22/23/66/231222366.db2.gz LRZOZTMVCCIFRV-QHCPKHFHSA-N 2 0 377.532 3.903 50 0 GHAARP COc1ccc(C[NH2+]C2CCCC2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000015065858 210148481 /nfs/dbraw/zinc/14/84/81/210148481.db2.gz QSWZHMAREIJENA-NRFANRHFSA-N 2 0 390.568 3.733 50 0 GHAARP CC1(C(=O)N(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC000015065423 210146231 /nfs/dbraw/zinc/14/62/31/210146231.db2.gz MZPUQPMZRBQFTL-FQEVSTJZSA-N 2 0 375.601 3.756 50 0 GHAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000095528787 211275549 /nfs/dbraw/zinc/27/55/49/211275549.db2.gz OVINNXCUSYBSPL-QGZVFWFLSA-N 2 0 381.948 3.526 50 0 GHAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1ccccc1 ZINC000095521312 211266904 /nfs/dbraw/zinc/26/69/04/211266904.db2.gz WEGYIEZTFRXBMH-FQEVSTJZSA-N 2 0 397.538 3.742 50 0 GHAARP Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@@H]2CC[NH2+]C2)C2CCCC2)CC1 ZINC000095518309 211265126 /nfs/dbraw/zinc/26/51/26/211265126.db2.gz RUDHXDVWSKKUTG-HSZRJFAPSA-N 2 0 397.607 3.630 50 0 GHAARP C[NH+](C)CCN(Cc1ccccc1)C(=O)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000020146372 570243968 /nfs/dbraw/zinc/24/39/68/570243968.db2.gz QGUKEMONVVGBIP-NRFANRHFSA-N 2 0 383.580 3.645 50 0 GHAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3ccc(O)c(OC)c3)CC2)cc1 ZINC000012579860 570683341 /nfs/dbraw/zinc/68/33/41/570683341.db2.gz RBCRJFGVRMSITR-UHFFFAOYSA-N 2 0 398.547 3.796 50 0 GHAARP Cc1ccc(C[N@@H+](C)Cc2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)cc1 ZINC000023399500 836939837 /nfs/dbraw/zinc/93/98/37/836939837.db2.gz WRVNAQCJPMIPAK-HSZRJFAPSA-N 2 0 382.548 3.853 50 0 GHAARP CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000058438878 862511333 /nfs/dbraw/zinc/51/13/33/862511333.db2.gz KPWKRKOJJYMWRN-FQEVSTJZSA-N 2 0 392.588 3.816 50 0 GHAARP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cnn(C)c2)C[C@@H]2CCCO2)CC1 ZINC000012744995 919302449 /nfs/dbraw/zinc/30/24/49/919302449.db2.gz PQTRALSNJMTECP-DEOSSOPVSA-N 2 0 396.579 3.622 50 0 GHAARP O=C(C1CCC1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014956388 919348295 /nfs/dbraw/zinc/34/82/95/919348295.db2.gz ONNXXNYBADSKCO-FQEVSTJZSA-N 2 0 375.601 3.756 50 0 GHAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)CC(C)(C)C ZINC000012701269 934396996 /nfs/dbraw/zinc/39/69/96/934396996.db2.gz KUZUAVOJCXZLCG-LJQANCHMSA-N 2 0 391.575 3.864 50 0 GHAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1=CCCC1 ZINC000015074790 210151290 /nfs/dbraw/zinc/15/12/90/210151290.db2.gz BMDOAQGWNVGLHJ-IBGZPJMESA-N 2 0 387.543 3.538 50 0 GHAARP O=C(c1cc[nH]c1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095530774 211274762 /nfs/dbraw/zinc/27/47/62/211274762.db2.gz YWYKKISNHBEOIO-FQEVSTJZSA-N 2 0 386.584 3.597 50 0 GHAARP Cc1c[nH]c(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000095505736 211257391 /nfs/dbraw/zinc/25/73/91/211257391.db2.gz BOBORDYTJAZCKN-OAQYLSRUSA-N 2 0 387.616 3.661 50 0 GHAARP COc1ccc(C[NH2+]C2CCCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012194012 570622867 /nfs/dbraw/zinc/62/28/67/570622867.db2.gz VVHJRYSTQJDXBE-JOCHJYFZSA-N 2 0 398.547 3.599 50 0 GHAARP CSc1cccc(NC(=S)N(CC[NH+](C)C)C2CC[NH+](C(C)C)CC2)c1 ZINC000004669537 570816641 /nfs/dbraw/zinc/81/66/41/570816641.db2.gz MABQTMUQCQCLLS-UHFFFAOYSA-N 2 0 394.654 3.842 50 0 GHAARP CCN1CCC[C@H]1C[N@H+](C/C=C/c1ccccc1)CC1CC[NH+](CCOC)CC1 ZINC000023359160 836751020 /nfs/dbraw/zinc/75/10/20/836751020.db2.gz MXYIWOGWKVHMHF-JEVDYFGZSA-N 2 0 399.623 3.845 50 0 GHAARP O[C@H]1[C@H]([N@H+]2CC=CCC2)c2ccccc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000020513592 839942905 /nfs/dbraw/zinc/94/29/05/839942905.db2.gz KPNMICOOACMEOT-YADHBBJMSA-N 2 0 380.557 3.959 50 0 GHAARP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000532300566 856487803 /nfs/dbraw/zinc/48/78/03/856487803.db2.gz FMHYRGAWSFMJQL-HXUWFJFHSA-N 2 0 381.564 3.725 50 0 GHAARP Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000952982662 904668814 /nfs/dbraw/zinc/66/88/14/904668814.db2.gz QMFXDEJICZFDMD-NRFANRHFSA-N 2 0 383.580 3.732 50 0 GHAARP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3c3cccs3)cc2)CC1 ZINC000008165679 221029310 /nfs/dbraw/zinc/02/93/10/221029310.db2.gz KGIDAMYGLXBYLK-FQEVSTJZSA-N 2 0 398.576 3.666 50 0 GHAARP Cc1cc(C)c(C[N@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)cc1C ZINC000011997508 221142595 /nfs/dbraw/zinc/14/25/95/221142595.db2.gz IWMIKGMQHIBEPT-XMMPIXPASA-N 2 0 382.548 3.776 50 0 GHAARP COCC[N@@H+]1CCC[C@]2(CCN(Cc3cc(C[NH+]4CCCCC4)cs3)C2)C1 ZINC000012073161 221147084 /nfs/dbraw/zinc/14/70/84/221147084.db2.gz PVNPRMWFDDWAMG-QFIPXVFZSA-N 2 0 391.625 3.668 50 0 GHAARP COc1cc(C[NH2+]C2CCCCCCC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012592809 221211823 /nfs/dbraw/zinc/21/18/23/221211823.db2.gz QFLHEPOHBJNOEF-OAQYLSRUSA-N 2 0 392.584 3.978 50 0 GHAARP CCOc1ccc(C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc1CO ZINC000015070952 221331930 /nfs/dbraw/zinc/33/19/30/221331930.db2.gz UHUFYATZYFFARB-UHFFFAOYSA-N 2 0 386.536 3.823 50 0 GHAARP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)(c2ccccc2)CC1 ZINC000015077744 221331405 /nfs/dbraw/zinc/33/14/05/221331405.db2.gz CHUIUOLQNPLLGK-QFIPXVFZSA-N 2 0 397.607 3.953 50 0 GHAARP O=C([C@@H]1CCC[N@@H+](C2CCN(c3cc[nH+]c4ccccc43)CC2)C1)N1CCCC1 ZINC000071745530 136165999 /nfs/dbraw/zinc/16/59/99/136165999.db2.gz JWTBRFUIQDPYHD-LJQANCHMSA-N 2 0 392.547 3.538 50 0 GHAARP Cc1cc(C[N@@H+](C)[C@H](C)Cc2ccccn2)c(C)c(C[NH+]2CCN(C)CC2)c1 ZINC000215095687 570285649 /nfs/dbraw/zinc/28/56/49/570285649.db2.gz KAMVGAOLBYIITO-HXUWFJFHSA-N 2 0 380.580 3.509 50 0 GHAARP c1sc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1C[NH+]1CCCC1 ZINC000215977771 570293975 /nfs/dbraw/zinc/29/39/75/570293975.db2.gz NWHDRKGRKFUQTG-GOSISDBHSA-N 2 0 381.549 3.766 50 0 GHAARP CCC(CC)NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091679719 571025535 /nfs/dbraw/zinc/02/55/35/571025535.db2.gz DHWUSBUWEZQFTK-OAQYLSRUSA-N 2 0 397.607 3.635 50 0 GHAARP C[N@H+](C[C@H](O)COc1cccc(C[NH2+]CCc2ccco2)c1)C1CCCCC1 ZINC000011879439 857863396 /nfs/dbraw/zinc/86/33/96/857863396.db2.gz XCUWAYDHERXKEQ-NRFANRHFSA-N 2 0 386.536 3.616 50 0 GHAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000240902845 222720274 /nfs/dbraw/zinc/72/02/74/222720274.db2.gz IVTQBEBPAHBWTN-RTBURBONSA-N 2 0 388.987 3.785 50 0 GHAARP O[C@H](COc1ccc(C[NH2+]C2CCCCC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000011945365 221140099 /nfs/dbraw/zinc/14/00/99/221140099.db2.gz PNUVFOOWTKUGCG-DEOSSOPVSA-N 2 0 394.559 3.907 50 0 GHAARP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N1CCc2ccccc21 ZINC000014183610 221302192 /nfs/dbraw/zinc/30/21/92/221302192.db2.gz XKTGELOMLAYMIQ-IBGZPJMESA-N 2 0 377.532 3.740 50 0 GHAARP C/C(=C\c1cc(Cl)ccc1O)C[N@H+]1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067982739 222171043 /nfs/dbraw/zinc/17/10/43/222171043.db2.gz KAARGWKEXPCQGB-GHRIWEEISA-N 2 0 377.960 3.551 50 0 GHAARP Cc1c(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C2CC2)C3)cnn1C ZINC000095378530 571065865 /nfs/dbraw/zinc/06/58/65/571065865.db2.gz DHUYSSVVEHSDDR-NRFANRHFSA-N 2 0 378.564 3.963 50 0 GHAARP c1cncc(OC2CC[NH+](Cc3ccc4c(c3)C[N@H+](CC3CC3)CCO4)CC2)c1 ZINC000299789336 840783003 /nfs/dbraw/zinc/78/30/03/840783003.db2.gz ZSAPPQFUQTVXRS-UHFFFAOYSA-N 2 0 393.531 3.729 50 0 GHAARP C(C[NH+]1CCCCC1)N(C[C@H]1CCC[N@@H+](C2CCCC2)C1)C1CCOCC1 ZINC000022916442 846896208 /nfs/dbraw/zinc/89/62/08/846896208.db2.gz YUMNJSANMIPQQD-NRFANRHFSA-N 2 0 377.617 3.608 50 0 GHAARP C[N@H+](C[C@@H](O)COc1cccc(C[NH2+]CCc2ccco2)c1)C1CCCCC1 ZINC000011879438 857863880 /nfs/dbraw/zinc/86/38/80/857863880.db2.gz XCUWAYDHERXKEQ-OAQYLSRUSA-N 2 0 386.536 3.616 50 0 GHAARP COc1ccc(C[NH2+]C2CCCC2)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000012717818 919299485 /nfs/dbraw/zinc/29/94/85/919299485.db2.gz ORLPVBNISUHNHY-OAQYLSRUSA-N 2 0 390.568 3.733 50 0 GHAARP C[C@H](CCc1c[nH]c2ccccc12)[NH+]1CCC(n2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000020995611 919677415 /nfs/dbraw/zinc/67/74/15/919677415.db2.gz ZPYOEFCIYNDCEU-MRXNPFEDSA-N 2 0 380.540 3.611 50 0 GHAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccc(SC)cc2)C[C@@H]2CCCO2)CC1 ZINC000012303261 221177465 /nfs/dbraw/zinc/17/74/65/221177465.db2.gz PZISGRYADNKUAW-NRFANRHFSA-N 2 0 392.609 3.748 50 0 GHAARP C[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)C1CC1 ZINC000012469292 221198668 /nfs/dbraw/zinc/19/86/68/221198668.db2.gz UHYZRWDLDAJZMO-HXUWFJFHSA-N 2 0 397.607 3.710 50 0 GHAARP CCC[NH+]1CCC([NH2+]C2CCN(c3ccc(-n4ccnc4C)cc3)CC2)CC1 ZINC000063883786 136156479 /nfs/dbraw/zinc/15/64/79/136156479.db2.gz HFHHAZRIVGHHGK-UHFFFAOYSA-N 2 0 381.568 3.614 50 0 GHAARP Cc1cc(N2CCC([C@@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)nc(N)[nH+]1 ZINC000072159254 136167287 /nfs/dbraw/zinc/16/72/87/136167287.db2.gz MNPQUXCKURRYBK-GOSISDBHSA-N 2 0 385.943 3.759 50 0 GHAARP [NH3+]CCc1nc2ccccc2c(NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)n1 ZINC000065464251 222131535 /nfs/dbraw/zinc/13/15/35/222131535.db2.gz QLHZKGRIHSCYCZ-HXUWFJFHSA-N 2 0 379.483 3.519 50 0 GHAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012386959 570375967 /nfs/dbraw/zinc/37/59/67/570375967.db2.gz WYNGNJQEAUYBBA-LNLBBOMNSA-N 2 0 383.580 3.793 50 0 GHAARP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000241961417 570688133 /nfs/dbraw/zinc/68/81/33/570688133.db2.gz USIISLNSXDPIEV-HXUWFJFHSA-N 2 0 381.564 3.912 50 0 GHAARP CCN1CCC[C@H]1C[N@@H+](Cc1ccccc1C)CC1CC[NH+](CCOC)CC1 ZINC000019219243 855728657 /nfs/dbraw/zinc/72/86/57/855728657.db2.gz NWSLZYUPYNNGPT-DEOSSOPVSA-N 2 0 387.612 3.640 50 0 GHAARP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000179394757 858794372 /nfs/dbraw/zinc/79/43/72/858794372.db2.gz ZMRZTPKLUOAHKY-QFIPXVFZSA-N 2 0 396.510 3.565 50 0 GHAARP C[NH+](C)C[C@@H](O)COc1ccc(C[NH+]2CCC(CCc3ccccc3)CC2)cc1 ZINC000012580740 858870209 /nfs/dbraw/zinc/87/02/09/858870209.db2.gz STVDZBCRMYXEFK-XMMPIXPASA-N 2 0 396.575 3.833 50 0 GHAARP CC[NH+]1CCN(CCOc2ccccc2C[N@H+](C)Cc2sccc2C)CC1 ZINC000952963983 904642612 /nfs/dbraw/zinc/64/26/12/904642612.db2.gz MBNRAPGEGLCXNQ-UHFFFAOYSA-N 2 0 387.593 3.705 50 0 GHAARP CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)C[NH+]1CCCCC1 ZINC000011661669 221118801 /nfs/dbraw/zinc/11/88/01/221118801.db2.gz CLOHCXZHBOTHMM-HXUWFJFHSA-N 2 0 391.987 3.539 50 0 GHAARP CCOc1ccccc1C[N@@H+](Cc1ccncc1)CC1CC[NH+](CCOC)CC1 ZINC000012194283 221165115 /nfs/dbraw/zinc/16/51/15/221165115.db2.gz XBRJHOAANJCHJA-UHFFFAOYSA-N 2 0 397.563 3.841 50 0 GHAARP COCC[NH+]1CCC(C[N@@H+](Cc2cc3ccccc3o2)C[C@@H]2CCCO2)CC1 ZINC000012431319 221191522 /nfs/dbraw/zinc/19/15/22/221191522.db2.gz WMDNAQVYBVGSCL-NRFANRHFSA-N 2 0 386.536 3.772 50 0 GHAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012592684 221211478 /nfs/dbraw/zinc/21/14/78/221211478.db2.gz DRXWBTLUMCLSSF-NRFANRHFSA-N 2 0 391.987 3.933 50 0 GHAARP Cc1ccc2c(N3CCC[C@H](c4nccn4CC[NH+](C)C)C3)cc[nH+]c2c1C ZINC000095382578 136178790 /nfs/dbraw/zinc/17/87/90/136178790.db2.gz SNOGALCOFTWNOE-IBGZPJMESA-N 2 0 377.536 3.994 50 0 GHAARP CCOc1ccc(C[N@@H+]2CCN(c3cc[nH+]c4ccccc43)C[C@H]2CCO)cc1 ZINC000106946139 136196915 /nfs/dbraw/zinc/19/69/15/136196915.db2.gz LADXQJDNSIPFQP-HXUWFJFHSA-N 2 0 391.515 3.707 50 0 GHAARP C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc3c(s2)C[NH+](C2CCCC2)C3)C1 ZINC000065239011 222114621 /nfs/dbraw/zinc/11/46/21/222114621.db2.gz BMANKRFEGGFAKM-MRXNPFEDSA-N 2 0 375.582 3.858 50 0 GHAARP C[N@H+](Cc1ccccc1)[C@H]1CCCN(C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000019865438 570226713 /nfs/dbraw/zinc/22/67/13/570226713.db2.gz UBMGGYQGPCAWDE-DEOSSOPVSA-N 2 0 378.564 3.642 50 0 GHAARP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000096999650 570914043 /nfs/dbraw/zinc/91/40/43/570914043.db2.gz SBTHFGATVMPKFR-BGYRXZFFSA-N 2 0 384.568 3.975 50 0 GHAARP [NH3+]CCc1cccc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)c1 ZINC000091792873 571030806 /nfs/dbraw/zinc/03/08/06/571030806.db2.gz IBABPFRALTVCEJ-UHFFFAOYSA-N 2 0 391.559 3.593 50 0 GHAARP OCC[NH2+]CCNCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000095190922 571049645 /nfs/dbraw/zinc/04/96/45/571049645.db2.gz KHTUYLDLVOHSQM-UHFFFAOYSA-N 2 0 384.907 3.744 50 0 GHAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC000095365299 571057921 /nfs/dbraw/zinc/05/79/21/571057921.db2.gz NVLRHVRIKTYBCZ-AKFKNWHVSA-N 2 0 397.563 3.507 50 0 GHAARP CSCCC(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012477984 856008523 /nfs/dbraw/zinc/00/85/23/856008523.db2.gz DNZXQWFMLDAUDS-FQEVSTJZSA-N 2 0 395.657 3.709 50 0 GHAARP COCC[N@H+](Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1)C(C)C ZINC000012753099 919301309 /nfs/dbraw/zinc/30/13/09/919301309.db2.gz STQGFAIJKVQOIP-JOCHJYFZSA-N 2 0 392.584 3.548 50 0 GHAARP O[C@@H](COc1ccc(C[NH2+]CCCc2ccccc2)cc1)C[NH+]1CCCCC1 ZINC000012440076 221195433 /nfs/dbraw/zinc/19/54/33/221195433.db2.gz HWSDKHXOHRQBFX-HSZRJFAPSA-N 2 0 382.548 3.635 50 0 GHAARP O[C@@H](COc1ccccc1C[NH2+]C1(c2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000015064689 221327304 /nfs/dbraw/zinc/32/73/04/221327304.db2.gz CJRDYXMBFCSULT-JOCHJYFZSA-N 2 0 380.532 3.691 50 0 GHAARP COc1cc(C[NH+]2CCCCC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000095519624 222347253 /nfs/dbraw/zinc/34/72/53/222347253.db2.gz HXWJMKPVJODLFG-OAQYLSRUSA-N 2 0 390.568 3.685 50 0 GHAARP C[N@H+](CCc1ccccc1)[C@H]1CCCN(C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000023361173 570356695 /nfs/dbraw/zinc/35/66/95/570356695.db2.gz KABAHLIVUIANLA-VWLOTQADSA-N 2 0 392.591 3.685 50 0 GHAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012386958 570625694 /nfs/dbraw/zinc/62/56/94/570625694.db2.gz WYNGNJQEAUYBBA-PQCQUMGKSA-N 2 0 383.580 3.793 50 0 GHAARP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC000105464597 859821237 /nfs/dbraw/zinc/82/12/37/859821237.db2.gz FJUAGACQBILKDJ-MRXNPFEDSA-N 2 0 381.499 3.695 50 0 GHAARP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cnn(C)c2)C[C@H]2CCCO2)CC1 ZINC000012744997 919300751 /nfs/dbraw/zinc/30/07/51/919300751.db2.gz PQTRALSNJMTECP-XMMPIXPASA-N 2 0 396.579 3.622 50 0 GHAARP CSCCC[NH2+]Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000015069373 919356618 /nfs/dbraw/zinc/35/66/18/919356618.db2.gz FOVXJTJBFJWUGI-HXUWFJFHSA-N 2 0 380.598 3.534 50 0 GHAARP O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000008341050 221038200 /nfs/dbraw/zinc/03/82/00/221038200.db2.gz KTDMKRMUGHALRX-HXUWFJFHSA-N 2 0 383.561 3.666 50 0 GHAARP O[C@H](COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1)C[NH+]1CCCCC1 ZINC000012074751 221148896 /nfs/dbraw/zinc/14/88/96/221148896.db2.gz HELJWKBFDCRQSM-FQEVSTJZSA-N 2 0 388.939 3.855 50 0 GHAARP O=C(c1ccco1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014961193 221320739 /nfs/dbraw/zinc/32/07/39/221320739.db2.gz INWQANQNCFKPAJ-HXUWFJFHSA-N 2 0 387.568 3.862 50 0 GHAARP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)(c2ccccc2)CC1 ZINC000015077742 221332073 /nfs/dbraw/zinc/33/20/73/221332073.db2.gz CHUIUOLQNPLLGK-JOCHJYFZSA-N 2 0 397.607 3.953 50 0 GHAARP COc1cc(C[NH+]2CCCCC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000095519623 222347081 /nfs/dbraw/zinc/34/70/81/222347081.db2.gz HXWJMKPVJODLFG-NRFANRHFSA-N 2 0 390.568 3.685 50 0 GHAARP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000072309463 570532523 /nfs/dbraw/zinc/53/25/23/570532523.db2.gz UWXCYLVKTQQDTC-HSZRJFAPSA-N 2 0 395.547 3.872 50 0 GHAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]C2CCCCCCC2)cc1OC ZINC000012473860 570673303 /nfs/dbraw/zinc/67/33/03/570673303.db2.gz KZFAFKGDOREWGU-NRFANRHFSA-N 2 0 392.584 3.979 50 0 GHAARP CC[N@@H+](Cc1ccc2ccccc2n1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000023339758 836652874 /nfs/dbraw/zinc/65/28/74/836652874.db2.gz ZXIVQLKLBPJLHR-UHFFFAOYSA-N 2 0 380.580 3.863 50 0 GHAARP O=C(CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](C[NH+]1Cc1ccccc1)[C@@H]23)NC1CC1 ZINC000257189400 838944405 /nfs/dbraw/zinc/94/44/05/838944405.db2.gz NUCQADKXCYXIMB-QSHYMPABSA-N 2 0 395.591 3.810 50 0 GHAARP C[N@@H+]1CCC[C@@H](CNC(=O)N2C[C@@H]([NH3+])C[C@H]2c2ccccc2)[C@H]1c1cccs1 ZINC000952852380 904629942 /nfs/dbraw/zinc/62/99/42/904629942.db2.gz HJTFZFIJOCEELA-IWFBPKFRSA-N 2 0 398.576 3.615 50 0 GHAARP COCC[N@H+](Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1)C(C)C ZINC000012753094 919300969 /nfs/dbraw/zinc/30/09/69/919300969.db2.gz STQGFAIJKVQOIP-QFIPXVFZSA-N 2 0 392.584 3.548 50 0 GHAARP COc1cc(C[NH2+]CCCC2CCCC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000011946948 221140749 /nfs/dbraw/zinc/14/07/49/221140749.db2.gz XQKIXQGZBOTPLD-NRFANRHFSA-N 2 0 390.568 3.591 50 0 GHAARP COc1cc(F)ccc1C[N@@H+]1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012307747 221179314 /nfs/dbraw/zinc/17/93/14/221179314.db2.gz FJQFSQVHKISKLZ-HXUWFJFHSA-N 2 0 383.511 3.963 50 0 GHAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2cnn(C(C)C)c2)CC1 ZINC000012209902 221168387 /nfs/dbraw/zinc/16/83/87/221168387.db2.gz HTSQSUXFPPMLMW-UHFFFAOYSA-N 2 0 384.568 3.859 50 0 GHAARP CC(C)CC[NH2+]Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000012597311 221213161 /nfs/dbraw/zinc/21/31/61/221213161.db2.gz RMJFOFWLGOEFFU-HSZRJFAPSA-N 2 0 382.548 3.620 50 0 GHAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000012710192 221218950 /nfs/dbraw/zinc/21/89/50/221218950.db2.gz STUHIBFYWDTVLN-HSZRJFAPSA-N 2 0 382.548 3.981 50 0 GHAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C1=CCCC1 ZINC000015074789 221330719 /nfs/dbraw/zinc/33/07/19/221330719.db2.gz BMDOAQGWNVGLHJ-LJQANCHMSA-N 2 0 387.543 3.538 50 0 GHAARP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000062253211 222065151 /nfs/dbraw/zinc/06/51/51/222065151.db2.gz SBTHFGATVMPKFR-PMACEKPBSA-N 2 0 384.568 3.975 50 0 GHAARP CCN1C[C@@]2(CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)CCC1=O ZINC000082099394 222309399 /nfs/dbraw/zinc/30/93/99/222309399.db2.gz GYHLRSFOLAVLFF-NRFANRHFSA-N 2 0 375.582 3.568 50 0 GHAARP C[N@@H+](Cc1cnc[nH]1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095520966 222347021 /nfs/dbraw/zinc/34/70/21/222347021.db2.gz JKZYXVLGTDZLBP-UHFFFAOYSA-N 2 0 380.458 3.815 50 0 GHAARP C[NH+](C)CCN(Cc1ccccc1)C(=O)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000020146374 570244106 /nfs/dbraw/zinc/24/41/06/570244106.db2.gz QGUKEMONVVGBIP-OAQYLSRUSA-N 2 0 383.580 3.645 50 0 GHAARP CC(C)(C)NC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000023367449 570357213 /nfs/dbraw/zinc/35/72/13/570357213.db2.gz ZIBGNFZUUKIRJQ-UHFFFAOYSA-N 2 0 385.596 3.710 50 0 GHAARP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC000058174146 570715935 /nfs/dbraw/zinc/71/59/35/570715935.db2.gz QRQJQLJLGUHPAB-OAQYLSRUSA-N 2 0 386.584 3.557 50 0 GHAARP CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(-c2cccc3c(N)cc[nH+]c32)cc1 ZINC000534578262 570902158 /nfs/dbraw/zinc/90/21/58/570902158.db2.gz PXHPAJBIANMGEJ-UHFFFAOYSA-N 2 0 388.515 3.919 50 0 GHAARP Cc1ccsc1C[N@H+]1CCC[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000012431470 862338022 /nfs/dbraw/zinc/33/80/22/862338022.db2.gz JSIIKCGTOAOKDB-SFHVURJKSA-N 2 0 377.598 3.601 50 0 GHAARP COC[C@@H](C)[NH+]1CCC([C@@H](Cc2ccccc2)[N@H+](C)Cc2ccncc2)CC1 ZINC000015000257 919353877 /nfs/dbraw/zinc/35/38/77/919353877.db2.gz WMKHFZPWKGHSBL-HYBUGGRVSA-N 2 0 381.564 3.872 50 0 GHAARP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)NCc3ccccc3Cl)C[C@H]2[C@@H]1c1ccccc1 ZINC000241738527 529823623 /nfs/dbraw/zinc/82/36/23/529823623.db2.gz QYGUSLVJRGZLOY-VIZSFHNOSA-N 2 0 397.950 3.581 50 0 GHAARP CN(C)c1ncc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)s1 ZINC000011775194 221124122 /nfs/dbraw/zinc/12/41/22/221124122.db2.gz MRFLVGPPWSIYAO-UHFFFAOYSA-N 2 0 390.572 3.735 50 0 GHAARP COc1cc(C[NH2+]CCCC2CCCC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000011946957 221140893 /nfs/dbraw/zinc/14/08/93/221140893.db2.gz XQKIXQGZBOTPLD-OAQYLSRUSA-N 2 0 390.568 3.591 50 0 GHAARP COc1cc(C[NH2+]C2CCCCCCC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000011953159 221140918 /nfs/dbraw/zinc/14/09/18/221140918.db2.gz AVIQNLZGNWECIT-NRFANRHFSA-N 2 0 390.568 3.733 50 0 GHAARP CN1CCC([NH+]2CCC(C[N@H+](Cc3ccccc3)Cc3ccncc3)CC2)CC1 ZINC000012305157 221177614 /nfs/dbraw/zinc/17/76/14/221177614.db2.gz GKKLMDRZWSRCCL-UHFFFAOYSA-N 2 0 392.591 3.890 50 0 GHAARP CC(C)CC[NH2+]Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000012597308 221212963 /nfs/dbraw/zinc/21/29/63/221212963.db2.gz RMJFOFWLGOEFFU-QHCPKHFHSA-N 2 0 382.548 3.620 50 0 GHAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)CC(C)(C)C ZINC000012701276 221217907 /nfs/dbraw/zinc/21/79/07/221217907.db2.gz KUZUAVOJCXZLCG-IBGZPJMESA-N 2 0 391.575 3.864 50 0 GHAARP O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000014979581 221323545 /nfs/dbraw/zinc/32/35/45/221323545.db2.gz VVIUMCRPPKRXNM-FQEVSTJZSA-N 2 0 387.568 3.795 50 0 GHAARP CC[N@H+](Cc1ccncc1)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000015066331 221330149 /nfs/dbraw/zinc/33/01/49/221330149.db2.gz QDULYCVMTJFITM-QHCPKHFHSA-N 2 0 397.563 3.719 50 0 GHAARP CCCC[N@H+](C)[C@@H]1c2ccccc2C2(CC[NH+](Cc3cccnc3)CC2)[C@H]1O ZINC000019148952 221399597 /nfs/dbraw/zinc/39/95/97/221399597.db2.gz JCYMKDRTWBLMFX-PKTZIBPZSA-N 2 0 379.548 3.763 50 0 GHAARP Cc1ncc2c(c1-c1noc(-c3ccc(C[NH+]4CCCCC4)cc3)n1)CC[NH2+]C2 ZINC000019799111 570220208 /nfs/dbraw/zinc/22/02/08/570220208.db2.gz BDBQQDAKVSDERX-UHFFFAOYSA-N 2 0 389.503 3.739 50 0 GHAARP O[C@H]1[C@H]([N@H+]2CC=CCC2)c2ccccc2C12CC[NH+](Cc1cccs1)CC2 ZINC000020599773 570269556 /nfs/dbraw/zinc/26/95/56/570269556.db2.gz JXQXLTODZMFASW-YADHBBJMSA-N 2 0 380.557 3.959 50 0 GHAARP C[C@@H]1CCC[N@H+](CCOc2ccccc2C[NH+]2CCC(c3ncc[nH]3)CC2)C1 ZINC000216127388 570295996 /nfs/dbraw/zinc/29/59/96/570295996.db2.gz MRKLCNOAYIHMPJ-LJQANCHMSA-N 2 0 382.552 3.900 50 0 GHAARP Clc1cccc(N2CC[NH+](Cc3ccc(OC4CC[NH2+]CC4)cc3)CC2)c1 ZINC000299755377 570891679 /nfs/dbraw/zinc/89/16/79/570891679.db2.gz ICHIDVVXECZATG-UHFFFAOYSA-N 2 0 385.939 3.793 50 0 GHAARP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000107543073 570974505 /nfs/dbraw/zinc/97/45/05/570974505.db2.gz ISDVVXGHEAQOSG-QAPCUYQASA-N 2 0 385.474 3.747 50 0 GHAARP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000084398247 571017236 /nfs/dbraw/zinc/01/72/36/571017236.db2.gz AEQVCWSTRWZHTL-NRFANRHFSA-N 2 0 389.971 3.828 50 0 GHAARP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000084398250 571017316 /nfs/dbraw/zinc/01/73/16/571017316.db2.gz AEQVCWSTRWZHTL-OAQYLSRUSA-N 2 0 389.971 3.828 50 0 GHAARP Cc1nnc([C@H]2C[N@@H+](CC(C)C)CC23CC[NH+](CCOc2ccccc2)CC3)o1 ZINC000675015015 840884279 /nfs/dbraw/zinc/88/42/79/840884279.db2.gz RVEVEVXWDHHXEZ-OAQYLSRUSA-N 2 0 398.551 3.594 50 0 GHAARP CN(C(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000230237268 861751333 /nfs/dbraw/zinc/75/13/33/861751333.db2.gz XXWRUWGTPKPTDN-QPTUXGOLSA-N 2 0 391.559 3.930 50 0 GHAARP COc1ccc(C[NH2+]CCCC2CCCC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012594075 858996921 /nfs/dbraw/zinc/99/69/21/858996921.db2.gz PCGMWYVDPQMPKA-NRFANRHFSA-N 2 0 392.584 3.835 50 0 GHAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1OC ZINC000095498901 222331533 /nfs/dbraw/zinc/33/15/33/222331533.db2.gz UODKFSVBVSHZCM-HXUWFJFHSA-N 2 0 390.568 3.543 50 0 GHAARP CC1=CC[NH+](Cc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000095502096 222336514 /nfs/dbraw/zinc/33/65/14/222336514.db2.gz JTFJPFVDVWOWCP-QHCPKHFHSA-N 2 0 380.532 3.710 50 0 GHAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+]2CCC3(CCCC3)C2)ccc1OC ZINC000095505530 222337836 /nfs/dbraw/zinc/33/78/36/222337836.db2.gz OSKFXDNLEWOWSW-HXUWFJFHSA-N 2 0 390.568 3.543 50 0 GHAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ccc(C(=O)NC)o3)CC2)C1 ZINC000096180374 222395175 /nfs/dbraw/zinc/39/51/75/222395175.db2.gz BQIPPBLYANFOHA-HXUWFJFHSA-N 2 0 395.547 3.731 50 0 GHAARP Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000019810557 570221235 /nfs/dbraw/zinc/22/12/35/570221235.db2.gz GXZIDOQQOOQXDK-SFHVURJKSA-N 2 0 383.536 3.891 50 0 GHAARP CC(C)CN(C)C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000020541207 570266669 /nfs/dbraw/zinc/26/66/69/570266669.db2.gz SEAUDKKLWKOYBS-UHFFFAOYSA-N 2 0 399.623 3.910 50 0 GHAARP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC[NH+](CC2CC2)CC1 ZINC000084398252 571017406 /nfs/dbraw/zinc/01/74/06/571017406.db2.gz FARZCMFMJPBMII-UHFFFAOYSA-N 2 0 389.971 3.543 50 0 GHAARP CCn1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000012049414 858682112 /nfs/dbraw/zinc/68/21/12/858682112.db2.gz IGZMSFRSEOBSFZ-QHCPKHFHSA-N 2 0 388.600 3.847 50 0 GHAARP CSCCC(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012477979 859335778 /nfs/dbraw/zinc/33/57/78/859335778.db2.gz DNZXQWFMLDAUDS-HXUWFJFHSA-N 2 0 395.657 3.709 50 0 GHAARP COc1cccc(NC(=O)CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](C[N@@H+]2C)[C@@H]34)c1 ZINC000257187723 859826868 /nfs/dbraw/zinc/82/68/68/859826868.db2.gz MAKIAWXWHQVARB-HWLQVEPHSA-N 2 0 385.552 3.609 50 0 GHAARP COc1ccccc1C[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000012298118 221176323 /nfs/dbraw/zinc/17/63/23/221176323.db2.gz DOGYXUDNGYXLFW-QFIPXVFZSA-N 2 0 398.547 3.601 50 0 GHAARP COCC[N@H+](Cc1ccccc1OC[C@@H](O)C[NH+](C)C1CCCCC1)C(C)C ZINC000012209103 221168415 /nfs/dbraw/zinc/16/84/15/221168415.db2.gz NSTLNQVSZDLUIT-QFIPXVFZSA-N 2 0 392.584 3.548 50 0 GHAARP CSc1ncc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cn1 ZINC000055226968 222018260 /nfs/dbraw/zinc/01/82/60/222018260.db2.gz LOSFHVMFTSGUID-UHFFFAOYSA-N 2 0 388.556 3.724 50 0 GHAARP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]CCC[NH+]1CCCCCC1 ZINC000006051590 570228684 /nfs/dbraw/zinc/22/86/84/570228684.db2.gz JZHJFEGGFAIVOW-NRFANRHFSA-N 2 0 376.585 3.888 50 0 GHAARP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cnc[nH]2)C[C@H]2CCCO2)CC1 ZINC000011936550 570594203 /nfs/dbraw/zinc/59/42/03/570594203.db2.gz UTFKQUXJHTZDHU-HSZRJFAPSA-N 2 0 382.552 3.611 50 0 GHAARP CC[N@@H+](Cc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000023368044 836798704 /nfs/dbraw/zinc/79/87/04/836798704.db2.gz OJEGURQSKLKRGL-LJQANCHMSA-N 2 0 394.563 3.868 50 0 GHAARP CCC[N@H+](Cc1cnc2ccccc2n1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000660073263 839553608 /nfs/dbraw/zinc/55/36/08/839553608.db2.gz CKJKGRDBXIKAMF-UHFFFAOYSA-N 2 0 390.535 3.918 50 0 GHAARP CCN1CCC[C@H]1C[N@@H+](Cc1cccc(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022919781 846982734 /nfs/dbraw/zinc/98/27/34/846982734.db2.gz HKCKHBAOKNOCJF-DEOSSOPVSA-N 2 0 387.612 3.640 50 0 GHAARP CCOCC[NH+](CCOCC)Cc1ccccc1OCC[N@@H+]1CCC[C@@H](C)C1 ZINC000823324742 863034600 /nfs/dbraw/zinc/03/46/00/863034600.db2.gz YWSYYQCDNOGNTR-OAQYLSRUSA-N 2 0 392.584 3.672 50 0 GHAARP CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)C[NH+]1CCCCC1 ZINC000012200355 859279202 /nfs/dbraw/zinc/27/92/02/859279202.db2.gz IORHWLIRPQYDFR-UHFFFAOYSA-N 2 0 391.987 3.539 50 0 GHAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccc(Cl)s2)C[C@H]2CCCO2)CC1 ZINC000015077205 221331175 /nfs/dbraw/zinc/33/11/75/221331175.db2.gz TWLRRYLXJRLYEK-QGZVFWFLSA-N 2 0 386.989 3.741 50 0 GHAARP CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000058438880 222053822 /nfs/dbraw/zinc/05/38/22/222053822.db2.gz KPWKRKOJJYMWRN-HXUWFJFHSA-N 2 0 392.588 3.816 50 0 GHAARP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCC(n2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000020453304 570257762 /nfs/dbraw/zinc/25/77/62/570257762.db2.gz NHXZZRMOQDLELO-AWEZNQCLSA-N 2 0 395.473 3.759 50 0 GHAARP Cc1nn(C)cc1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095378919 571066029 /nfs/dbraw/zinc/06/60/29/571066029.db2.gz SETWYODBOYNLBY-NRFANRHFSA-N 2 0 378.564 3.963 50 0 GHAARP COc1ccc(C[NH2+]C2CCCC2)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000012717816 919300240 /nfs/dbraw/zinc/30/02/40/919300240.db2.gz ORLPVBNISUHNHY-NRFANRHFSA-N 2 0 390.568 3.733 50 0 GHAARP Cc1ccccc1C[NH+]1CCC(C[N@@H+](C[C@H]2CCCO2)C2CCN(C)CC2)CC1 ZINC000020450657 919640560 /nfs/dbraw/zinc/64/05/60/919640560.db2.gz GHMBWTPSAAHQBW-RUZDIDTESA-N 2 0 399.623 3.782 50 0 GHAARP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc4ccncc4s3)cn2)CC1 ZINC000657839686 930489859 /nfs/dbraw/zinc/48/98/59/930489859.db2.gz YWFCBJJWVKWHKX-INIZCTEOSA-N 2 0 381.549 3.684 50 0 GHAARP COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011815233 221127785 /nfs/dbraw/zinc/12/77/85/221127785.db2.gz BCVDODJZOAEKHH-OAQYLSRUSA-N 2 0 390.568 3.732 50 0 GHAARP CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)C[NH+]1CCCCC1 ZINC000011661668 221118327 /nfs/dbraw/zinc/11/83/27/221118327.db2.gz CLOHCXZHBOTHMM-FQEVSTJZSA-N 2 0 391.987 3.539 50 0 GHAARP Cc1cc(C)c(C[N@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)cc1C ZINC000011997511 221142536 /nfs/dbraw/zinc/14/25/36/221142536.db2.gz IWMIKGMQHIBEPT-DEOSSOPVSA-N 2 0 382.548 3.776 50 0 GHAARP O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CCCC3)CC2)C1 ZINC000015071470 221330467 /nfs/dbraw/zinc/33/04/67/221330467.db2.gz FUXOBWAKANHNQA-JOCHJYFZSA-N 2 0 383.580 3.669 50 0 GHAARP C[C@@H]1CCC[N@H+](CCOc2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)C1 ZINC000055211997 222017526 /nfs/dbraw/zinc/01/75/26/222017526.db2.gz IWEKLEIKWOMILL-GOSISDBHSA-N 2 0 382.504 3.816 50 0 GHAARP C[C@@H](C1CC[NH+](Cc2ccc(-c3ccccn3)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000065406156 222127475 /nfs/dbraw/zinc/12/74/75/222127475.db2.gz COMVBQWZXFQKOB-FQEVSTJZSA-N 2 0 378.564 3.597 50 0 GHAARP CCOc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC000067453074 222147382 /nfs/dbraw/zinc/14/73/82/222147382.db2.gz HYUGKXWPCQCSBS-IYBDPMFKSA-N 2 0 384.948 3.726 50 0 GHAARP [NH3+]CCc1ccc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000072424057 222259285 /nfs/dbraw/zinc/25/92/85/222259285.db2.gz HSSQCGILMYJBJZ-UHFFFAOYSA-N 2 0 378.438 3.690 50 0 GHAARP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000240897320 570431323 /nfs/dbraw/zinc/43/13/23/570431323.db2.gz ISDVVXGHEAQOSG-YJBOKZPZSA-N 2 0 385.474 3.747 50 0 GHAARP OCC[NH2+]CCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000095190921 571049652 /nfs/dbraw/zinc/04/96/52/571049652.db2.gz WZXCXPYRCXSCNR-UHFFFAOYSA-N 2 0 384.907 3.744 50 0 GHAARP COC[C@H](C)[NH+]1CCC([C@H](Cc2ccccc2)[N@H+](C)Cc2ccncc2)CC1 ZINC000015000265 919353684 /nfs/dbraw/zinc/35/36/84/919353684.db2.gz WMKHFZPWKGHSBL-RDPSFJRHSA-N 2 0 381.564 3.872 50 0 GHAARP C[C@@H](CCc1c[nH]c2ccccc12)[NH+]1CCC(n2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000020995608 919677487 /nfs/dbraw/zinc/67/74/87/919677487.db2.gz ZPYOEFCIYNDCEU-INIZCTEOSA-N 2 0 380.540 3.611 50 0 GHAARP CC(=CC(=O)OC1CC(C)(C)[NH2+]C(C)(C)C1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000001229546 212230761 /nfs/dbraw/zinc/23/07/61/212230761.db2.gz BHBSBLITCCGYLJ-XNTDXEJSSA-N 2 0 379.589 3.641 50 0 GHAARP C[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)C1CC1 ZINC000012469298 221197930 /nfs/dbraw/zinc/19/79/30/221197930.db2.gz UHYZRWDLDAJZMO-FQEVSTJZSA-N 2 0 397.607 3.710 50 0 GHAARP COc1ccc(CC[N@@H+](Cc2ccc(OC)c(O)c2)CC2CC[NH+](C)CC2)cc1 ZINC000012466015 221198490 /nfs/dbraw/zinc/19/84/90/221198490.db2.gz QPHCPWGHRNYPHZ-UHFFFAOYSA-N 2 0 398.547 3.796 50 0 GHAARP c1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc2nonc12 ZINC000012703195 221219030 /nfs/dbraw/zinc/21/90/30/221219030.db2.gz PVKGSKRMVOBPSV-NRFANRHFSA-N 2 0 398.551 3.858 50 0 GHAARP c1ccc2c(c1)CC([NH+]1CCC(C[N@@H+](C[C@@H]3CCCO3)C3CCOCC3)CC1)C2 ZINC000012707897 221219087 /nfs/dbraw/zinc/21/90/87/221219087.db2.gz GYWWWVLQUMXMCX-VWLOTQADSA-N 2 0 398.591 3.526 50 0 GHAARP CC1(C)CC([NH2+]C2CCN(c3ccc(-n4cccn4)cc3)CC2)CC(C)(C)[NH2+]1 ZINC000063846192 136156597 /nfs/dbraw/zinc/15/65/97/136156597.db2.gz NUGZPKUJHYFOEK-UHFFFAOYSA-N 2 0 381.568 3.740 50 0 GHAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000072141996 222210369 /nfs/dbraw/zinc/21/03/69/222210369.db2.gz BAMVAKMJSNYOSX-FCEUIQTBSA-N 2 0 392.971 3.679 50 0 GHAARP CC(C)CC(=O)N1CCC2(CC1)CC[NH+](CC1CC[NH+](C(C)C)CC1)CC2 ZINC000072164986 222215132 /nfs/dbraw/zinc/21/51/32/222215132.db2.gz OCXARHGROIIPJH-UHFFFAOYSA-N 2 0 377.617 3.858 50 0 GHAARP C[N@H+](C[C@@H]1CCOC1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000095528886 222352701 /nfs/dbraw/zinc/35/27/01/222352701.db2.gz VDJACOJFQRZQCO-IBGZPJMESA-N 2 0 384.486 3.928 50 0 GHAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000095528788 222353718 /nfs/dbraw/zinc/35/37/18/222353718.db2.gz OVINNXCUSYBSPL-KRWDZBQOSA-N 2 0 381.948 3.526 50 0 GHAARP Cc1ccc(C[N@@H+](C)Cc2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)cc1 ZINC000023399497 836939723 /nfs/dbraw/zinc/93/97/23/836939723.db2.gz WRVNAQCJPMIPAK-QHCPKHFHSA-N 2 0 382.548 3.853 50 0 GHAARP O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)C1CC[NH+](Cc2ccco2)CC1 ZINC000827758273 865089586 /nfs/dbraw/zinc/08/95/86/865089586.db2.gz GWOOYWPADKOYEY-JOCHJYFZSA-N 2 0 399.510 3.584 50 0 GHAARP Cc1cc(C)cc(CNC(=O)[C@@H]2C[C@H](C[NH+]3CCCC3)C[N@@H+](CC(C)C)C2)c1 ZINC000014747783 919338397 /nfs/dbraw/zinc/33/83/97/919338397.db2.gz PIENOLBUMRPFOD-DHIUTWEWSA-N 2 0 385.596 3.610 50 0 GHAARP CC[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2n(CC[NH+](C)C)c1=O ZINC000014887014 919345893 /nfs/dbraw/zinc/34/58/93/919345893.db2.gz AGGBUDZWKRRPEY-UHFFFAOYSA-N 2 0 377.532 3.894 50 0 GHAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc(Cl)c2)C[C@@H]2CCCO2)CC1 ZINC000012298255 221175823 /nfs/dbraw/zinc/17/58/23/221175823.db2.gz PAQYLOQUJFBYBW-NRFANRHFSA-N 2 0 380.960 3.679 50 0 GHAARP CCOc1ccc(C[N@H+](CCc2ccccc2)C[C@H]2CCC[NH+](C)C2)cc1CO ZINC000012581685 221209817 /nfs/dbraw/zinc/20/98/17/221209817.db2.gz LRRWFLPFHPFGNV-QHCPKHFHSA-N 2 0 396.575 3.964 50 0 GHAARP O=C(c1ccoc1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012578490 221210462 /nfs/dbraw/zinc/21/04/62/221210462.db2.gz UFAWRJXSCKONBN-HXUWFJFHSA-N 2 0 387.568 3.862 50 0 GHAARP C[NH+]1CCC(C[NH+]2CCC3(CCN(C(=O)CC4CCCC4)CC3)CC2)CC1 ZINC000072123941 222209657 /nfs/dbraw/zinc/20/96/57/222209657.db2.gz VTYUDXBNFRZXHC-UHFFFAOYSA-N 2 0 375.601 3.613 50 0 GHAARP O=C(c1cc[nH]c1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095530773 222352993 /nfs/dbraw/zinc/35/29/93/222352993.db2.gz YWYKKISNHBEOIO-HXUWFJFHSA-N 2 0 386.584 3.597 50 0 GHAARP Cc1nc(-c2ccc(N3CCC([NH2+]CCCn4ccnc4)CC3)cc2)cs1 ZINC000023505358 526575946 /nfs/dbraw/zinc/57/59/46/526575946.db2.gz PACSDNHSZUWQAR-UHFFFAOYSA-N 2 0 381.549 3.964 50 0 GHAARP Cc1ccc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2cccnc2)C[C@@H]3CO)s1 ZINC000097425016 570243810 /nfs/dbraw/zinc/24/38/10/570243810.db2.gz FORISTLTXGKYOG-HXUWFJFHSA-N 2 0 385.577 3.548 50 0 GHAARP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000089904813 570919186 /nfs/dbraw/zinc/91/91/86/570919186.db2.gz ISDVVXGHEAQOSG-CRAIPNDOSA-N 2 0 385.474 3.747 50 0 GHAARP c1ccc2c(c1)CCO[C@H]2C[NH2+]CCCCC[NH2+]C[C@H]1OCCc2ccccc21 ZINC000002102017 570942139 /nfs/dbraw/zinc/94/21/39/570942139.db2.gz NEHYCGHZQBAVCX-PLQXJYEYSA-N 2 0 394.559 3.964 50 0 biogenic GHAARP CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000012613030 859216190 /nfs/dbraw/zinc/21/61/90/859216190.db2.gz NBABUGOEKPUTTH-QHCPKHFHSA-N 2 0 385.596 3.582 50 0 GHAARP O=C(CC[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCC3)s2)C1)NC1CC1 ZINC000015066329 919356827 /nfs/dbraw/zinc/35/68/27/919356827.db2.gz ZQOJBHURTFZSGP-QGZVFWFLSA-N 2 0 375.582 3.615 50 0 GHAARP [NH3+]CC[C@H]1C[N@@H+](C2CCN(c3cccc(-c4cccc(F)c4)c3)CC2)CCO1 ZINC000020363398 919633420 /nfs/dbraw/zinc/63/34/20/919633420.db2.gz BMUPDBYRWBIJJE-QHCPKHFHSA-N 2 0 383.511 3.511 50 0 GHAARP C[NH+](C)C[C@@H](O)COc1ccc(C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012074921 221148298 /nfs/dbraw/zinc/14/82/98/221148298.db2.gz MWJMKKNHIBAEGP-JOFGVTMCSA-N 2 0 386.580 3.636 50 0 GHAARP Cc1cccc(C[NH2+]Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)c1 ZINC000014958193 221320991 /nfs/dbraw/zinc/32/09/91/221320991.db2.gz ANVUOSOFGAYPHC-HSZRJFAPSA-N 2 0 382.548 3.901 50 0 GHAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3cc(C)[nH+]c(NC)n3)CC2)C1 ZINC000095353112 136177853 /nfs/dbraw/zinc/17/78/53/136177853.db2.gz VOBRQEQQYJVEND-FQEVSTJZSA-N 2 0 379.552 3.923 50 0 GHAARP COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2cccc(C(C)=O)c2)CC1 ZINC000055183218 222017780 /nfs/dbraw/zinc/01/77/80/222017780.db2.gz SPIIOLMDGPKAOM-UHFFFAOYSA-N 2 0 395.547 3.645 50 0 GHAARP Cc1ccc(C[N@H+]2CCC3(CC[NH+](C(C)C)CC3)[C@H](CO)C2)c2cccnc12 ZINC000097785636 222450770 /nfs/dbraw/zinc/45/07/70/222450770.db2.gz RQQJCARAKWWXGS-NRFANRHFSA-N 2 0 381.564 3.848 50 0 GHAARP c1sc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1C[NH+]1CCCC1 ZINC000215977817 570293947 /nfs/dbraw/zinc/29/39/47/570293947.db2.gz NWHDRKGRKFUQTG-SFHVURJKSA-N 2 0 381.549 3.766 50 0 GHAARP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1n1cncn1 ZINC000241326093 570686509 /nfs/dbraw/zinc/68/65/09/570686509.db2.gz LZGGPDVYWLRCKW-HMXCVIKNSA-N 2 0 385.556 3.518 50 0 GHAARP CC(C)[NH+]1CCC(CC(=O)NC[C@@H](c2ccccc2F)[NH+]2CCCC2)CC1 ZINC000095370901 571061354 /nfs/dbraw/zinc/06/13/54/571061354.db2.gz YFQMRBBEXQFTFL-NRFANRHFSA-N 2 0 375.532 3.589 50 0 GHAARP CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]C2CCSCC2)C[C@@]1(C)CO ZINC000011843862 857580020 /nfs/dbraw/zinc/58/00/20/857580020.db2.gz URTWNWSOUZJGHU-UXPWSPDFSA-N 2 0 383.001 3.959 50 0 GHAARP O=C(C[NH+]1CCCCCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012022703 858539529 /nfs/dbraw/zinc/53/95/29/858539529.db2.gz RMBYCTBPJJWXIH-QHCPKHFHSA-N 2 0 387.543 3.516 50 0 GHAARP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000012204185 859302521 /nfs/dbraw/zinc/30/25/21/859302521.db2.gz JHOWALXUEKZYMO-NRFANRHFSA-N 2 0 385.596 3.848 50 0 GHAARP CCc1oc(C(=O)N[C@@H](C)C[N@@H+]2CCc3ccccc3C2)cc1C[NH+]1CCCC1 ZINC000823570778 863127976 /nfs/dbraw/zinc/12/79/76/863127976.db2.gz QJGBXBUAGPTWRZ-SFHVURJKSA-N 2 0 395.547 3.614 50 0 GHAARP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)CC1 ZINC000952970916 904648953 /nfs/dbraw/zinc/64/89/53/904648953.db2.gz UFNSBDGJNCAYTM-UHFFFAOYSA-N 2 0 398.514 3.812 50 0 GHAARP CCCn1cc(C[N@H+](C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)c(C)n1 ZINC000012576445 221208409 /nfs/dbraw/zinc/20/84/09/221208409.db2.gz XLAQWKZQOVTYEO-UHFFFAOYSA-N 2 0 398.595 3.997 50 0 GHAARP CCCCNC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000015078804 221333090 /nfs/dbraw/zinc/33/30/90/221333090.db2.gz LCGGCXOUDLSLDR-UHFFFAOYSA-N 2 0 385.596 3.712 50 0 GHAARP CC[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCOc4ccc(C)cc43)ccn2)CC1 ZINC000095421342 136179142 /nfs/dbraw/zinc/17/91/42/136179142.db2.gz PMRAXPSRCYCGSL-NRFANRHFSA-N 2 0 380.536 3.535 50 0 GHAARP