smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@H](CC)C[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000104001964 185879060 /nfs/dbraw/zinc/87/90/60/185879060.db2.gz SWEFDKUCCYMDBN-HOTGVXAUSA-N 2 2 256.478 3.769 10 0 CHAELP CC[NH+](CC)CCCn1c(C)[nH+]c2cc(Cl)ccc21 ZINC000005139302 170069839 /nfs/dbraw/zinc/06/98/39/170069839.db2.gz DUBFJCBUAYLDNZ-UHFFFAOYSA-N 2 2 279.815 3.730 10 0 CHAELP C[N@H+](CCc1ccccc1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226037 171089789 /nfs/dbraw/zinc/08/97/89/171089789.db2.gz BCTNKSJXLKTZKX-QGZVFWFLSA-N 2 2 288.822 3.514 10 0 CHAELP C[N@@H+](CCc1ccccc1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226037 171089792 /nfs/dbraw/zinc/08/97/92/171089792.db2.gz BCTNKSJXLKTZKX-QGZVFWFLSA-N 2 2 288.822 3.514 10 0 CHAELP CCc1ccc([C@H](C[NH3+])[N@H+](C)CC2CCCCC2)cc1 ZINC000020225735 171089825 /nfs/dbraw/zinc/08/98/25/171089825.db2.gz FBERVOWJPTTWFH-SFHVURJKSA-N 2 2 274.452 3.761 10 0 CHAELP CCc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CCCCC2)cc1 ZINC000020225735 171089827 /nfs/dbraw/zinc/08/98/27/171089827.db2.gz FBERVOWJPTTWFH-SFHVURJKSA-N 2 2 274.452 3.761 10 0 CHAELP CC(C)[N@H+](C)[C@@H](c1ccccc1)[C@@H]([NH3+])Cc1ccccc1 ZINC000020549460 171246220 /nfs/dbraw/zinc/24/62/20/171246220.db2.gz MLGFRAHQHRQJEL-OALUTQOASA-N 2 2 282.431 3.638 10 0 CHAELP CC(C)[N@@H+](C)[C@@H](c1ccccc1)[C@@H]([NH3+])Cc1ccccc1 ZINC000020549460 171246221 /nfs/dbraw/zinc/24/62/21/171246221.db2.gz MLGFRAHQHRQJEL-OALUTQOASA-N 2 2 282.431 3.638 10 0 CHAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(Cl)c1Cl ZINC000035570513 172266459 /nfs/dbraw/zinc/26/64/59/172266459.db2.gz GTRLYOUPMBQZDD-LLVKDONJSA-N 2 2 284.190 3.610 10 0 CHAELP C[C@H](C[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000038029043 174018500 /nfs/dbraw/zinc/01/85/00/174018500.db2.gz VRUMKBHJDXHODN-XDNAFOTISA-N 2 2 278.484 3.809 10 0 CHAELP C[C@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000038029041 174018576 /nfs/dbraw/zinc/01/85/76/174018576.db2.gz VRUMKBHJDXHODN-XMTFNYHQSA-N 2 2 278.484 3.809 10 0 CHAELP CC(C)c1ccc([C@H](C[NH3+])[NH+]2CCCCCC2)cc1 ZINC000039142616 174164210 /nfs/dbraw/zinc/16/42/10/174164210.db2.gz YVEJUYCIIDSIIN-KRWDZBQOSA-N 2 2 260.425 3.686 10 0 CHAELP C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000039789089 174173028 /nfs/dbraw/zinc/17/30/28/174173028.db2.gz CYEXQBGPLAYRKC-ZOWXZIJZSA-N 2 2 266.816 3.603 10 0 CHAELP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000039789089 174173030 /nfs/dbraw/zinc/17/30/30/174173030.db2.gz CYEXQBGPLAYRKC-ZOWXZIJZSA-N 2 2 266.816 3.603 10 0 CHAELP C[NH+](C)CC[NH2+]C1CCCCCCCCCCC1 ZINC000040162523 174197148 /nfs/dbraw/zinc/19/71/48/174197148.db2.gz HDCCHKAVLQDYCL-UHFFFAOYSA-N 2 2 254.462 3.811 10 0 CHAELP CCC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000040502441 260284885 /nfs/dbraw/zinc/28/48/85/260284885.db2.gz MWAOEJKESMXXMS-SJORKVTESA-N 2 2 260.425 3.602 10 0 CHAELP CCC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000040502441 260284886 /nfs/dbraw/zinc/28/48/86/260284886.db2.gz MWAOEJKESMXXMS-SJORKVTESA-N 2 2 260.425 3.602 10 0 CHAELP Cc1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000092812622 260888570 /nfs/dbraw/zinc/88/85/70/260888570.db2.gz KXSXLDQJEHOCKI-QGZVFWFLSA-N 2 2 295.430 3.632 10 0 CHAELP Cc1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000092812622 260888571 /nfs/dbraw/zinc/88/85/71/260888571.db2.gz KXSXLDQJEHOCKI-QGZVFWFLSA-N 2 2 295.430 3.632 10 0 CHAELP CC[C@H](C)[C@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050552 327176432 /nfs/dbraw/zinc/17/64/32/327176432.db2.gz QNEVUMBFCPKVIM-KBPBESRZSA-N 2 2 273.424 3.530 10 0 CHAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000400481705 329727819 /nfs/dbraw/zinc/72/78/19/329727819.db2.gz WJLKQWYJHWIXEB-BHDSKKPTSA-N 2 2 287.234 3.785 10 0 CHAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000233485718 333352902 /nfs/dbraw/zinc/35/29/02/333352902.db2.gz XVJKJUKVPIPXKD-ZWKOTPCHSA-N 2 2 274.452 3.500 10 0 CHAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000233485718 333352903 /nfs/dbraw/zinc/35/29/03/333352903.db2.gz XVJKJUKVPIPXKD-ZWKOTPCHSA-N 2 2 274.452 3.500 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)CCc1ccccc1 ZINC000246848133 334270625 /nfs/dbraw/zinc/27/06/25/334270625.db2.gz BZYWKAXSHZXELQ-VQIMIIECSA-N 2 2 297.446 3.677 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)CCc1ccccc1 ZINC000246848133 334270627 /nfs/dbraw/zinc/27/06/27/334270627.db2.gz BZYWKAXSHZXELQ-VQIMIIECSA-N 2 2 297.446 3.677 10 0 CHAELP C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050907 334356527 /nfs/dbraw/zinc/35/65/27/334356527.db2.gz GBXZDAWLVKIPKI-CABCVRRESA-N 2 2 285.435 3.674 10 0 CHAELP CCC[NH2+]C[C@H](C(C)C)[N@H+](C)[C@@H](C)c1cccs1 ZINC000052506392 519929322 /nfs/dbraw/zinc/92/93/22/519929322.db2.gz QHSJPVILVGTHQU-UONOGXRCSA-N 2 2 268.470 3.765 10 0 CHAELP CCC[NH2+]C[C@H](C(C)C)[N@@H+](C)[C@@H](C)c1cccs1 ZINC000052506392 519929328 /nfs/dbraw/zinc/92/93/28/519929328.db2.gz QHSJPVILVGTHQU-UONOGXRCSA-N 2 2 268.470 3.765 10 0 CHAELP CC[NH2+]C[C@H](c1ccccc1)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000052504610 519975070 /nfs/dbraw/zinc/97/50/70/519975070.db2.gz WLYZOZXYRLSHOL-GOEBONIOSA-N 2 2 262.441 3.704 10 0 CHAELP CC[NH2+]C[C@H](c1ccccc1)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000052504610 519975079 /nfs/dbraw/zinc/97/50/79/519975079.db2.gz WLYZOZXYRLSHOL-GOEBONIOSA-N 2 2 262.441 3.704 10 0 CHAELP CC(C)[C@H](C[NH2+]C(C)(C)C)[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000052509738 519815877 /nfs/dbraw/zinc/81/58/77/519815877.db2.gz ZRVHYLWNOHELAA-KFWWJZLASA-N 2 2 254.462 3.520 10 0 CHAELP CC(C)[C@H](C[NH2+]C(C)(C)C)[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000052509738 519815878 /nfs/dbraw/zinc/81/58/78/519815878.db2.gz ZRVHYLWNOHELAA-KFWWJZLASA-N 2 2 254.462 3.520 10 0 CHAELP Cc1ccc([N@H+](C)CCC[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000050954200 524885688 /nfs/dbraw/zinc/88/56/88/524885688.db2.gz OOHNEWMDARPZAO-MRXNPFEDSA-N 2 2 260.425 3.662 10 0 CHAELP Cc1ccc([N@@H+](C)CCC[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000050954200 524885703 /nfs/dbraw/zinc/88/57/03/524885703.db2.gz OOHNEWMDARPZAO-MRXNPFEDSA-N 2 2 260.425 3.662 10 0 CHAELP Cc1[nH]c(C[NH2+][C@H](CC(C)C)c2ccccc2)c[nH+]1 ZINC000054821913 526894923 /nfs/dbraw/zinc/89/49/23/526894923.db2.gz NGCNGLFWMAYFHS-MRXNPFEDSA-N 2 2 257.381 3.595 10 0 CHAELP Cc1cc2[nH+]cn(-c3cccc(F)c3[C@@H](C)[NH3+])c2cc1C ZINC000019872863 170902827 /nfs/dbraw/zinc/90/28/27/170902827.db2.gz XETRMQGFHGCIJI-GFCCVEGCSA-N 2 2 283.350 3.801 10 0 CHAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000020225556 171088582 /nfs/dbraw/zinc/08/85/82/171088582.db2.gz SYJFHEGWBSQZBB-KRWDZBQOSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000020225556 171088583 /nfs/dbraw/zinc/08/85/83/171088583.db2.gz SYJFHEGWBSQZBB-KRWDZBQOSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1ccccc1C[N@@H+](C)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225948 171089380 /nfs/dbraw/zinc/08/93/80/171089380.db2.gz NLRXISPTBKCXTQ-KRWDZBQOSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1ccccc1C[N@H+](C)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225948 171089382 /nfs/dbraw/zinc/08/93/82/171089382.db2.gz NLRXISPTBKCXTQ-KRWDZBQOSA-N 2 2 288.822 3.780 10 0 CHAELP [NH3+]C[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCCC1 ZINC000020545798 171243622 /nfs/dbraw/zinc/24/36/22/171243622.db2.gz XTJFYZDJLXLRAD-OAHLLOKOSA-N 2 2 266.816 3.606 10 0 CHAELP CC[C@@H](C)C[NH2+]C[C@H](c1ccccc1)[NH+](CC)CC ZINC000021012550 171287917 /nfs/dbraw/zinc/28/79/17/171287917.db2.gz CHXSPNUEKREPTK-NVXWUHKLSA-N 2 2 262.441 3.705 10 0 CHAELP CC[N@H+](C1CCCCC1)C1(C[NH3+])CCC(C)CC1 ZINC000035176721 172030293 /nfs/dbraw/zinc/03/02/93/172030293.db2.gz PGHXVVRAQRDNBS-UHFFFAOYSA-N 2 2 252.446 3.549 10 0 CHAELP CC[N@@H+](C1CCCCC1)C1(C[NH3+])CCC(C)CC1 ZINC000035176721 172030295 /nfs/dbraw/zinc/03/02/95/172030295.db2.gz PGHXVVRAQRDNBS-UHFFFAOYSA-N 2 2 252.446 3.549 10 0 CHAELP CC[C@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000037167191 173001568 /nfs/dbraw/zinc/00/15/68/173001568.db2.gz UCUOVVDWDPSOIU-SJORKVTESA-N 2 2 262.441 3.704 10 0 CHAELP CC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000037167190 173001660 /nfs/dbraw/zinc/00/16/60/173001660.db2.gz UCUOVVDWDPSOIU-DLBZAZTESA-N 2 2 262.441 3.704 10 0 CHAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000038983690 174161256 /nfs/dbraw/zinc/16/12/56/174161256.db2.gz MKJPQUJUXGGAKZ-QGZVFWFLSA-N 2 2 278.440 3.596 10 0 CHAELP CC(C)(C)c1ccc([C@H](C[NH3+])[NH+]2CCCCCC2)cc1 ZINC000039148484 174164202 /nfs/dbraw/zinc/16/42/02/174164202.db2.gz XEKRDIOCDHMSRU-KRWDZBQOSA-N 2 2 274.452 3.860 10 0 CHAELP CC(C)c1ccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000039142600 174164331 /nfs/dbraw/zinc/16/43/31/174164331.db2.gz COHHSDLBASTHGD-QGZVFWFLSA-N 2 2 260.425 3.542 10 0 CHAELP CCCc1[nH+]c2ccccc2n1CCC[NH+](CC)CC ZINC000040389529 174252497 /nfs/dbraw/zinc/25/24/97/174252497.db2.gz HNZRVUYWHPKARO-UHFFFAOYSA-N 2 2 273.424 3.721 10 0 CHAELP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccc(C)cc1 ZINC000040502304 260285428 /nfs/dbraw/zinc/28/54/28/260285428.db2.gz KHZQKSKFJFZCCF-IAGOWNOFSA-N 2 2 260.425 3.520 10 0 CHAELP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccc(C)cc1 ZINC000040502304 260285430 /nfs/dbraw/zinc/28/54/30/260285430.db2.gz KHZQKSKFJFZCCF-IAGOWNOFSA-N 2 2 260.425 3.520 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1ccc(F)cc1 ZINC000178284082 329195645 /nfs/dbraw/zinc/19/56/45/329195645.db2.gz RZDKXGJRTQYXNB-GUYCJALGSA-N 2 2 287.382 3.556 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccc(F)cc1 ZINC000178284082 329195646 /nfs/dbraw/zinc/19/56/46/329195646.db2.gz RZDKXGJRTQYXNB-GUYCJALGSA-N 2 2 287.382 3.556 10 0 CHAELP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000045094453 330338657 /nfs/dbraw/zinc/33/86/57/330338657.db2.gz FLXPZJAMKZECTG-JKSUJKDBSA-N 2 2 277.456 3.858 10 0 CHAELP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000222692490 333198734 /nfs/dbraw/zinc/19/87/34/333198734.db2.gz AZYVWVNDZNJLTQ-RHSMWYFYSA-N 2 2 260.425 3.555 10 0 CHAELP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000222692490 333198735 /nfs/dbraw/zinc/19/87/35/333198735.db2.gz AZYVWVNDZNJLTQ-RHSMWYFYSA-N 2 2 260.425 3.555 10 0 CHAELP CC(C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000250774140 334350132 /nfs/dbraw/zinc/35/01/32/334350132.db2.gz UNYMQOWTUMAZKL-HOCLYGCPSA-N 2 2 280.843 3.721 10 0 CHAELP CC(C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000250774140 334350133 /nfs/dbraw/zinc/35/01/33/334350133.db2.gz UNYMQOWTUMAZKL-HOCLYGCPSA-N 2 2 280.843 3.721 10 0 CHAELP CC/C=C\CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000346587993 335369150 /nfs/dbraw/zinc/36/91/50/335369150.db2.gz WPMSSLWFRVPAON-XVWMLYKFSA-N 2 2 269.392 3.879 10 0 CHAELP CCCCC[C@@H](C)[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054602884 520277417 /nfs/dbraw/zinc/27/74/17/520277417.db2.gz BJDXGSPFKHWVET-WZYMTQMTSA-N 2 2 252.446 3.560 10 0 CHAELP CCCCC[C@@H](C)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054602884 520277432 /nfs/dbraw/zinc/27/74/32/520277432.db2.gz BJDXGSPFKHWVET-WZYMTQMTSA-N 2 2 252.446 3.560 10 0 CHAELP CC(C)C[C@H]1C[N@H+](Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062671516 519415889 /nfs/dbraw/zinc/41/58/89/519415889.db2.gz BRHHBFBHZMCWKS-HNNXBMFYSA-N 2 2 280.843 3.550 10 0 CHAELP CC(C)C[C@H]1C[N@@H+](Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062671516 519415894 /nfs/dbraw/zinc/41/58/94/519415894.db2.gz BRHHBFBHZMCWKS-HNNXBMFYSA-N 2 2 280.843 3.550 10 0 CHAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000049195596 519814741 /nfs/dbraw/zinc/81/47/41/519814741.db2.gz VYIGZKOPCWLEHD-DOMZBBRYSA-N 2 2 268.832 3.577 10 0 CHAELP CCCC1CC[NH+]([C@H](C[NH3+])c2sccc2C)CC1 ZINC000050893075 519903663 /nfs/dbraw/zinc/90/36/63/519903663.db2.gz DTFZFWMNTPMADC-CQSZACIVSA-N 2 2 266.454 3.568 10 0 CHAELP CCC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000052382113 519934893 /nfs/dbraw/zinc/93/48/93/519934893.db2.gz WFRWXFMZBMYFPR-QGZVFWFLSA-N 2 2 260.425 3.603 10 0 CHAELP CCCCC[N@H+](C)[C@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052454976 520155482 /nfs/dbraw/zinc/15/54/82/520155482.db2.gz KHGSPYQGUKHSBT-QGZVFWFLSA-N 2 2 262.441 3.848 10 0 CHAELP CCCCC[N@@H+](C)[C@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052454976 520155489 /nfs/dbraw/zinc/15/54/89/520155489.db2.gz KHGSPYQGUKHSBT-QGZVFWFLSA-N 2 2 262.441 3.848 10 0 CHAELP Cc1cccc(C[N@@H+](C)[C@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000020226001 171089297 /nfs/dbraw/zinc/08/92/97/171089297.db2.gz ZIHKXNKIHJPHPU-QGZVFWFLSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1cccc(C[N@H+](C)[C@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000020226001 171089299 /nfs/dbraw/zinc/08/92/99/171089299.db2.gz ZIHKXNKIHJPHPU-QGZVFWFLSA-N 2 2 288.822 3.780 10 0 CHAELP CC(C)C[N@H+](C)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020226324 171092074 /nfs/dbraw/zinc/09/20/74/171092074.db2.gz PGMPRZMFTGQTEJ-INIZCTEOSA-N 2 2 262.441 3.572 10 0 CHAELP CC(C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020226324 171092075 /nfs/dbraw/zinc/09/20/75/171092075.db2.gz PGMPRZMFTGQTEJ-INIZCTEOSA-N 2 2 262.441 3.572 10 0 CHAELP CCCCCC[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020520389 171233752 /nfs/dbraw/zinc/23/37/52/171233752.db2.gz OEDQUNDXYXCEBD-CVEARBPZSA-N 2 2 256.478 3.911 10 0 CHAELP CCCC[N@H+](C)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020567067 171255349 /nfs/dbraw/zinc/25/53/49/171255349.db2.gz GLCHUXIKNUOCHA-INIZCTEOSA-N 2 2 262.441 3.716 10 0 CHAELP CCCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020567067 171255350 /nfs/dbraw/zinc/25/53/50/171255350.db2.gz GLCHUXIKNUOCHA-INIZCTEOSA-N 2 2 262.441 3.716 10 0 CHAELP CC[NH+](CC)[C@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021011462 171287273 /nfs/dbraw/zinc/28/72/73/171287273.db2.gz HCOJJWJRCZKJNJ-CVEARBPZSA-N 2 2 254.462 3.939 10 0 CHAELP CCC(CC)C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000021062639 171297517 /nfs/dbraw/zinc/29/75/17/171297517.db2.gz IXKDCOVTLPZJSK-SFHVURJKSA-N 2 2 274.452 3.849 10 0 CHAELP CCC[NH+](CCC)[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000021500210 171305154 /nfs/dbraw/zinc/30/51/54/171305154.db2.gz VWLOWLWGJBFENC-KKUMJFAQSA-N 2 2 254.462 3.651 10 0 CHAELP CC(C)C[C@@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC000021520188 171315683 /nfs/dbraw/zinc/31/56/83/171315683.db2.gz ANSOAVJJHDNFBO-OAGGEKHMSA-N 2 2 268.489 3.767 10 0 CHAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000022209555 171373027 /nfs/dbraw/zinc/37/30/27/171373027.db2.gz PEEXWZIMIXANFD-RISCZKNCSA-N 2 2 286.341 3.580 10 0 CHAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000022209555 171373028 /nfs/dbraw/zinc/37/30/28/171373028.db2.gz PEEXWZIMIXANFD-RISCZKNCSA-N 2 2 286.341 3.580 10 0 CHAELP CCC1CCC(C[NH3+])([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000035176778 172030167 /nfs/dbraw/zinc/03/01/67/172030167.db2.gz WNQVWQOWSXNPHK-UMQBVGHOSA-N 2 2 278.484 3.939 10 0 CHAELP CCC1CCC(C[NH3+])([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000035176778 172030169 /nfs/dbraw/zinc/03/01/69/172030169.db2.gz WNQVWQOWSXNPHK-UMQBVGHOSA-N 2 2 278.484 3.939 10 0 CHAELP CC(C)c1ccc([C@@H]([NH3+])C[N@H+](C)Cc2ccccc2)cc1 ZINC000035206610 172050644 /nfs/dbraw/zinc/05/06/44/172050644.db2.gz GCZQQVBFVBQVGG-IBGZPJMESA-N 2 2 282.431 3.942 10 0 CHAELP CC(C)c1ccc([C@@H]([NH3+])C[N@@H+](C)Cc2ccccc2)cc1 ZINC000035206610 172050645 /nfs/dbraw/zinc/05/06/45/172050645.db2.gz GCZQQVBFVBQVGG-IBGZPJMESA-N 2 2 282.431 3.942 10 0 CHAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(Cl)ccc1Cl ZINC000035570548 172266369 /nfs/dbraw/zinc/26/63/69/172266369.db2.gz PCLMGMRUFOBLMV-LBPRGKRZSA-N 2 2 284.190 3.610 10 0 CHAELP CCCC[NH+](CCCC)[C@@H](C[NH3+])c1ccc(C)s1 ZINC000036906773 172795150 /nfs/dbraw/zinc/79/51/50/172795150.db2.gz XJGSBKJAESASLU-AWEZNQCLSA-N 2 2 268.470 3.959 10 0 CHAELP CC(C)C[N@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424890 173199343 /nfs/dbraw/zinc/19/93/43/173199343.db2.gz KMJXOMDAQVRYAU-ZDUSSCGKSA-N 2 2 275.223 3.581 10 0 CHAELP CC(C)C[N@@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424890 173199346 /nfs/dbraw/zinc/19/93/46/173199346.db2.gz KMJXOMDAQVRYAU-ZDUSSCGKSA-N 2 2 275.223 3.581 10 0 CHAELP Cc1ccc([C@@H]([NH2+]C[C@H](C)[NH+]2CCCCC2)C2CC2)cc1 ZINC000038029023 174018294 /nfs/dbraw/zinc/01/82/94/174018294.db2.gz NFJHZVSXFPJZPN-QFBILLFUSA-N 2 2 286.463 3.910 10 0 CHAELP CC(C)c1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)cc1 ZINC000039142614 174164107 /nfs/dbraw/zinc/16/41/07/174164107.db2.gz YVEJUYCIIDSIIN-QGZVFWFLSA-N 2 2 260.425 3.686 10 0 CHAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccc(C)cc1 ZINC000040502303 260285014 /nfs/dbraw/zinc/28/50/14/260285014.db2.gz KHZQKSKFJFZCCF-SJORKVTESA-N 2 2 260.425 3.520 10 0 CHAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccc(C)cc1 ZINC000040502303 260285016 /nfs/dbraw/zinc/28/50/16/260285016.db2.gz KHZQKSKFJFZCCF-SJORKVTESA-N 2 2 260.425 3.520 10 0 CHAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C)c3ccccc32)C1 ZINC000126636590 260355019 /nfs/dbraw/zinc/35/50/19/260355019.db2.gz AOIHPTYWWVGULO-RLFYNMQTSA-N 2 2 272.436 3.699 10 0 CHAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C)c3ccccc32)C1 ZINC000126636590 260355021 /nfs/dbraw/zinc/35/50/21/260355021.db2.gz AOIHPTYWWVGULO-RLFYNMQTSA-N 2 2 272.436 3.699 10 0 CHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000106212094 261322966 /nfs/dbraw/zinc/32/29/66/261322966.db2.gz YSAJOQBJIQYWKO-INIZCTEOSA-N 2 2 275.440 3.663 10 0 CHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000106212094 261322968 /nfs/dbraw/zinc/32/29/68/261322968.db2.gz YSAJOQBJIQYWKO-INIZCTEOSA-N 2 2 275.440 3.663 10 0 CHAELP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1cccc(C)c1 ZINC000311338665 262237618 /nfs/dbraw/zinc/23/76/18/262237618.db2.gz JQQALIBXSJHDME-IAGOWNOFSA-N 2 2 260.425 3.520 10 0 CHAELP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1cccc(C)c1 ZINC000311338665 262237620 /nfs/dbraw/zinc/23/76/20/262237620.db2.gz JQQALIBXSJHDME-IAGOWNOFSA-N 2 2 260.425 3.520 10 0 CHAELP c1coc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000116292645 267138131 /nfs/dbraw/zinc/13/81/31/267138131.db2.gz MIBLOUXPVAFBFD-KRWDZBQOSA-N 2 2 293.370 3.802 10 0 CHAELP c1coc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000116292645 267138133 /nfs/dbraw/zinc/13/81/33/267138133.db2.gz MIBLOUXPVAFBFD-KRWDZBQOSA-N 2 2 293.370 3.802 10 0 CHAELP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180128123 329211790 /nfs/dbraw/zinc/21/17/90/329211790.db2.gz HBALWEOEQAALMB-XAVZPLJISA-N 2 2 295.430 3.759 10 0 CHAELP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180128123 329211791 /nfs/dbraw/zinc/21/17/91/329211791.db2.gz HBALWEOEQAALMB-XAVZPLJISA-N 2 2 295.430 3.759 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC000180120935 329211974 /nfs/dbraw/zinc/21/19/74/329211974.db2.gz FAMZFDGCKRLFRK-QGZVFWFLSA-N 2 2 275.440 3.626 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC000180120935 329211976 /nfs/dbraw/zinc/21/19/76/329211976.db2.gz FAMZFDGCKRLFRK-QGZVFWFLSA-N 2 2 275.440 3.626 10 0 CHAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000166170860 331306664 /nfs/dbraw/zinc/30/66/64/331306664.db2.gz JEDUNKGCLDNJQC-OCCSQVGLSA-N 2 2 280.481 3.747 10 0 CHAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000166170860 331306665 /nfs/dbraw/zinc/30/66/65/331306665.db2.gz JEDUNKGCLDNJQC-OCCSQVGLSA-N 2 2 280.481 3.747 10 0 CHAELP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000166170745 331306735 /nfs/dbraw/zinc/30/67/35/331306735.db2.gz JEDUNKGCLDNJQC-JSGCOSHPSA-N 2 2 280.481 3.747 10 0 CHAELP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000166170745 331306736 /nfs/dbraw/zinc/30/67/36/331306736.db2.gz JEDUNKGCLDNJQC-JSGCOSHPSA-N 2 2 280.481 3.747 10 0 CHAELP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000166171084 331306761 /nfs/dbraw/zinc/30/67/61/331306761.db2.gz JEDUNKGCLDNJQC-TZMCWYRMSA-N 2 2 280.481 3.747 10 0 CHAELP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000166171084 331306762 /nfs/dbraw/zinc/30/67/62/331306762.db2.gz JEDUNKGCLDNJQC-TZMCWYRMSA-N 2 2 280.481 3.747 10 0 CHAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCc2ccccc21 ZINC000309724470 333048097 /nfs/dbraw/zinc/04/80/97/333048097.db2.gz NBSJFXNUMOBMGB-JXFKEZNVSA-N 2 2 294.442 3.784 10 0 CHAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCc2ccccc21 ZINC000309724470 333048098 /nfs/dbraw/zinc/04/80/98/333048098.db2.gz NBSJFXNUMOBMGB-JXFKEZNVSA-N 2 2 294.442 3.784 10 0 CHAELP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000222696704 333199002 /nfs/dbraw/zinc/19/90/02/333199002.db2.gz BPAKRAOZCVYJNE-HOTGVXAUSA-N 2 2 280.843 3.865 10 0 CHAELP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000222696704 333199004 /nfs/dbraw/zinc/19/90/04/333199004.db2.gz BPAKRAOZCVYJNE-HOTGVXAUSA-N 2 2 280.843 3.865 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)CCc1ccccc1 ZINC000246848115 334270671 /nfs/dbraw/zinc/27/06/71/334270671.db2.gz BZYWKAXSHZXELQ-APWZRJJASA-N 2 2 297.446 3.677 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)CCc1ccccc1 ZINC000246848115 334270672 /nfs/dbraw/zinc/27/06/72/334270672.db2.gz BZYWKAXSHZXELQ-APWZRJJASA-N 2 2 297.446 3.677 10 0 CHAELP Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1Cl ZINC000194642064 336035086 /nfs/dbraw/zinc/03/50/86/336035086.db2.gz KLJFDCJFTPPJPW-OAHLLOKOSA-N 2 2 289.810 3.510 10 0 CHAELP Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1Cl ZINC000194642064 336035087 /nfs/dbraw/zinc/03/50/87/336035087.db2.gz KLJFDCJFTPPJPW-OAHLLOKOSA-N 2 2 289.810 3.510 10 0 CHAELP CC(C)[C@H](C[NH2+]C1CC1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346272 519815916 /nfs/dbraw/zinc/81/59/16/519815916.db2.gz ZCJMUJAIOQVGMG-INIZCTEOSA-N 2 2 280.843 3.548 10 0 CHAELP CC(C)[C@H](C[NH2+]C1CC1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052346272 519815917 /nfs/dbraw/zinc/81/59/17/519815917.db2.gz ZCJMUJAIOQVGMG-INIZCTEOSA-N 2 2 280.843 3.548 10 0 CHAELP CCCCC1CCC(C[NH2+]CC[NH+](CC)CC)CC1 ZINC000062435088 519919160 /nfs/dbraw/zinc/91/91/60/519919160.db2.gz NVTVHQDDJOTKCD-UHFFFAOYSA-N 2 2 268.489 3.914 10 0 CHAELP C[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1n1cc[nH+]c1C(C)C ZINC000054555943 522506065 /nfs/dbraw/zinc/50/60/65/522506065.db2.gz QABPBWQLSWTQDP-ILXRZTDVSA-N 2 2 263.429 3.592 10 0 CHAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000020018398 170970736 /nfs/dbraw/zinc/97/07/36/170970736.db2.gz YMHQGGVLJJVIIA-FUHWJXTLSA-N 2 2 272.436 3.528 10 0 CHAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000020018398 170970737 /nfs/dbraw/zinc/97/07/37/170970737.db2.gz YMHQGGVLJJVIIA-FUHWJXTLSA-N 2 2 272.436 3.528 10 0 CHAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)CC2CCCCC2)c1 ZINC000020225523 171088350 /nfs/dbraw/zinc/08/83/50/171088350.db2.gz DSKNBADYJJCQMR-QGZVFWFLSA-N 2 2 260.425 3.507 10 0 CHAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)CC2CCCCC2)c1 ZINC000020225523 171088351 /nfs/dbraw/zinc/08/83/51/171088351.db2.gz DSKNBADYJJCQMR-QGZVFWFLSA-N 2 2 260.425 3.507 10 0 CHAELP Cc1ccccc1C[N@@H+](C)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020225998 171089343 /nfs/dbraw/zinc/08/93/43/171089343.db2.gz YBKAUVYSLFZHMY-KRWDZBQOSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1ccccc1C[N@H+](C)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020225998 171089345 /nfs/dbraw/zinc/08/93/45/171089345.db2.gz YBKAUVYSLFZHMY-KRWDZBQOSA-N 2 2 288.822 3.780 10 0 CHAELP CCOc1cccc([C@@H](C[NH3+])[N@H+](C)CC2CCCCC2)c1 ZINC000020226212 171090353 /nfs/dbraw/zinc/09/03/53/171090353.db2.gz MSZYSVGXDDDTSC-GOSISDBHSA-N 2 2 290.451 3.597 10 0 CHAELP CCOc1cccc([C@@H](C[NH3+])[N@@H+](C)CC2CCCCC2)c1 ZINC000020226212 171090354 /nfs/dbraw/zinc/09/03/54/171090354.db2.gz MSZYSVGXDDDTSC-GOSISDBHSA-N 2 2 290.451 3.597 10 0 CHAELP CCCC[NH+](CCCC)[C@H](C[NH3+])c1cccs1 ZINC000020484840 171224418 /nfs/dbraw/zinc/22/44/18/171224418.db2.gz GETOCYUNYOFTCU-CYBMUJFWSA-N 2 2 254.443 3.650 10 0 CHAELP CC(C)[N@H+](C)[C@H](C[NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000022177499 171371707 /nfs/dbraw/zinc/37/17/07/171371707.db2.gz HHXBFJWEIFZPJH-GFCCVEGCSA-N 2 2 292.370 3.639 10 0 CHAELP CC(C)[N@@H+](C)[C@H](C[NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000022177499 171371710 /nfs/dbraw/zinc/37/17/10/171371710.db2.gz HHXBFJWEIFZPJH-GFCCVEGCSA-N 2 2 292.370 3.639 10 0 CHAELP C[NH2+]CC[NH2+]C1(c2cc3ccccc3s2)CCCCC1 ZINC000022936153 171404347 /nfs/dbraw/zinc/40/43/47/171404347.db2.gz BYHRVWUKCOPJNF-UHFFFAOYSA-N 2 2 288.460 3.870 10 0 CHAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cccc(Cl)c1Cl ZINC000035586654 172285976 /nfs/dbraw/zinc/28/59/76/172285976.db2.gz MEXBNJHZTPDWEX-GFCCVEGCSA-N 2 2 298.217 4.000 10 0 CHAELP Cc1cccc([C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000037321599 173121732 /nfs/dbraw/zinc/12/17/32/173121732.db2.gz LAUBXVYCDGMSQU-WBVHZDCISA-N 2 2 262.441 3.622 10 0 CHAELP Cc1cccc([C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000037321600 173122111 /nfs/dbraw/zinc/12/21/11/173122111.db2.gz LAUBXVYCDGMSQU-RDJZCZTQSA-N 2 2 262.441 3.622 10 0 CHAELP CC(C)C[N@H+](C)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424892 173199367 /nfs/dbraw/zinc/19/93/67/173199367.db2.gz KMJXOMDAQVRYAU-CYBMUJFWSA-N 2 2 275.223 3.581 10 0 CHAELP CC(C)C[N@@H+](C)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424892 173199368 /nfs/dbraw/zinc/19/93/68/173199368.db2.gz KMJXOMDAQVRYAU-CYBMUJFWSA-N 2 2 275.223 3.581 10 0 CHAELP Cc1ccc([C@H]([NH2+]C[C@H](C)[NH+]2CCCCC2)C2CC2)cc1 ZINC000038029022 174018474 /nfs/dbraw/zinc/01/84/74/174018474.db2.gz NFJHZVSXFPJZPN-LPHOPBHVSA-N 2 2 286.463 3.910 10 0 CHAELP CC[NH+](CC)CCCn1c2ccccc2[nH+]c1C(C)C ZINC000040389523 174252159 /nfs/dbraw/zinc/25/21/59/174252159.db2.gz KLFBFSGWHQKWBR-UHFFFAOYSA-N 2 2 273.424 3.892 10 0 CHAELP Cc1cc(C)c([C@H](C)Nc2c[nH+]ccc2C)c(C)[nH+]1 ZINC000071413818 176158942 /nfs/dbraw/zinc/15/89/42/176158942.db2.gz RYQNWGDEWMLHIY-AWEZNQCLSA-N 2 2 255.365 3.883 10 0 CHAELP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC000040502238 260285179 /nfs/dbraw/zinc/28/51/79/260285179.db2.gz HAHHIUWJYSAUQH-JKSUJKDBSA-N 2 2 280.843 3.865 10 0 CHAELP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000040502238 260285181 /nfs/dbraw/zinc/28/51/81/260285181.db2.gz HAHHIUWJYSAUQH-JKSUJKDBSA-N 2 2 280.843 3.865 10 0 CHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000171523017 329076947 /nfs/dbraw/zinc/07/69/47/329076947.db2.gz VLPWZVUGEHQTOT-KRWDZBQOSA-N 2 2 283.419 3.591 10 0 CHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC000171523017 329076949 /nfs/dbraw/zinc/07/69/49/329076949.db2.gz VLPWZVUGEHQTOT-KRWDZBQOSA-N 2 2 283.419 3.591 10 0 CHAELP C[C@H]([NH2+][C@@H]1C=CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189895518 333200046 /nfs/dbraw/zinc/20/00/46/333200046.db2.gz RPFWJLMCUBMGBG-GOEBONIOSA-N 2 2 267.376 3.632 10 0 CHAELP CCCC[N@@H+](C)[C@@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000052418088 520434030 /nfs/dbraw/zinc/43/40/30/520434030.db2.gz QLRODXRQTUVDEJ-KRWDZBQOSA-N 2 2 262.441 3.705 10 0 CHAELP CCCC1CCC([NH2+][C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000049197105 519899269 /nfs/dbraw/zinc/89/92/69/519899269.db2.gz VXYSUIKOVUQKQM-GPANFISMSA-N 2 2 254.462 3.521 10 0 CHAELP CCCC[N@H+](C)[C@@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000052418088 520434026 /nfs/dbraw/zinc/43/40/26/520434026.db2.gz QLRODXRQTUVDEJ-KRWDZBQOSA-N 2 2 262.441 3.705 10 0 CHAELP CCC[N@H+]([C@H](C[NH2+]C(C)C)c1ccccc1)C1CC1 ZINC000052449316 521697400 /nfs/dbraw/zinc/69/74/00/521697400.db2.gz BAPWDEZAZHVXCS-QGZVFWFLSA-N 2 2 260.425 3.600 10 0 CHAELP CCC[N@@H+]([C@H](C[NH2+]C(C)C)c1ccccc1)C1CC1 ZINC000052449316 521697403 /nfs/dbraw/zinc/69/74/03/521697403.db2.gz BAPWDEZAZHVXCS-QGZVFWFLSA-N 2 2 260.425 3.600 10 0 CHAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+](C)[C@@H](C)CC(C)C ZINC000050579090 525008483 /nfs/dbraw/zinc/00/84/83/525008483.db2.gz DEHOEOGBVSZYPU-BBRMVZONSA-N 2 2 266.404 3.500 10 0 CHAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+](C)[C@@H](C)CC(C)C ZINC000050579090 525008494 /nfs/dbraw/zinc/00/84/94/525008494.db2.gz DEHOEOGBVSZYPU-BBRMVZONSA-N 2 2 266.404 3.500 10 0 CHAELP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1nc2ccccc2s1 ZINC000019905866 170917147 /nfs/dbraw/zinc/91/71/47/170917147.db2.gz URCQANAIBZZJKC-GFCCVEGCSA-N 2 2 291.464 3.535 10 0 CHAELP [NH3+]C[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCCC1 ZINC000020545799 171243758 /nfs/dbraw/zinc/24/37/58/171243758.db2.gz XTJFYZDJLXLRAD-HNNXBMFYSA-N 2 2 266.816 3.606 10 0 CHAELP CC(C)c1ccc([C@H](C[NH3+])[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000020548670 171245934 /nfs/dbraw/zinc/24/59/34/171245934.db2.gz OBPJVJGSPLPUOH-RKVPGOIHSA-N 2 2 274.452 3.788 10 0 CHAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000020557937 171250752 /nfs/dbraw/zinc/25/07/52/171250752.db2.gz CZXJRXGJEZYALA-OWCLPIDISA-N 2 2 266.473 3.665 10 0 CHAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000020557937 171250753 /nfs/dbraw/zinc/25/07/53/171250753.db2.gz CZXJRXGJEZYALA-OWCLPIDISA-N 2 2 266.473 3.665 10 0 CHAELP CC[C@@H](C)C[NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC ZINC000021012552 171288104 /nfs/dbraw/zinc/28/81/04/171288104.db2.gz CHXSPNUEKREPTK-WBVHZDCISA-N 2 2 262.441 3.705 10 0 CHAELP [NH3+]C[C@@H](c1cccc(Cl)c1)[NH+]1CCCCCCC1 ZINC000021518601 171314683 /nfs/dbraw/zinc/31/46/83/171314683.db2.gz ZPWWJMYOGDWPSR-HNNXBMFYSA-N 2 2 266.816 3.606 10 0 CHAELP CCC1CCC(C[NH3+])([NH+]2CCCCCCC2)CC1 ZINC000021817640 171333129 /nfs/dbraw/zinc/33/31/29/171333129.db2.gz BEUUMBUTAQHKBS-UHFFFAOYSA-N 2 2 252.446 3.550 10 0 CHAELP Cc1cc(C)c([C@@H]([NH3+])C[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC000035206604 172050745 /nfs/dbraw/zinc/05/07/45/172050745.db2.gz IRSIJKSQUXLQKU-SFHVURJKSA-N 2 2 282.431 3.744 10 0 CHAELP Cc1cc(C)c([C@@H]([NH3+])C[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000035206604 172050746 /nfs/dbraw/zinc/05/07/46/172050746.db2.gz IRSIJKSQUXLQKU-SFHVURJKSA-N 2 2 282.431 3.744 10 0 CHAELP C[C@@H](C[NH2+]C1CCCCCCC1)[NH+]1CCCCC1 ZINC000038028297 174016112 /nfs/dbraw/zinc/01/61/12/174016112.db2.gz IGQCPNCLCALTAS-HNNXBMFYSA-N 2 2 252.446 3.563 10 0 CHAELP Cc1ccc([C@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)C2CC2)cc1 ZINC000038029020 174018243 /nfs/dbraw/zinc/01/82/43/174018243.db2.gz NFJHZVSXFPJZPN-APWZRJJASA-N 2 2 286.463 3.910 10 0 CHAELP C[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1)[NH+](C)C ZINC000038087653 174099390 /nfs/dbraw/zinc/09/93/90/174099390.db2.gz RYAZNODMKWGIRP-UAGQMJEPSA-N 2 2 266.473 3.665 10 0 CHAELP CC(C)Oc1ccc([C@@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789151 174173583 /nfs/dbraw/zinc/17/35/83/174173583.db2.gz RCKHMPKPWRLGLM-RVKKMQEKSA-N 2 2 290.451 3.737 10 0 CHAELP CC(C)Oc1ccc([C@@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789151 174173585 /nfs/dbraw/zinc/17/35/85/174173585.db2.gz RCKHMPKPWRLGLM-RVKKMQEKSA-N 2 2 290.451 3.737 10 0 CHAELP CCCCc1ccc([C@@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000071587064 176214042 /nfs/dbraw/zinc/21/40/42/176214042.db2.gz NUEUHIWRUWGIMM-QGZVFWFLSA-N 2 2 260.425 3.515 10 0 CHAELP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171646000 335073328 /nfs/dbraw/zinc/07/33/28/335073328.db2.gz MCSZQQNTNGTOJK-KRWDZBQOSA-N 2 2 295.430 3.632 10 0 CHAELP Cc1ccc(C)c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171646000 335073329 /nfs/dbraw/zinc/07/33/29/335073329.db2.gz MCSZQQNTNGTOJK-KRWDZBQOSA-N 2 2 295.430 3.632 10 0 CHAELP Cc1ccccc1[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000175171509 261209934 /nfs/dbraw/zinc/20/99/34/261209934.db2.gz FTCJDZNCVUGWGZ-FQEVSTJZSA-N 2 2 294.442 3.768 10 0 CHAELP CC[NH+](CC)CCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000019943183 327869494 /nfs/dbraw/zinc/86/94/94/327869494.db2.gz TZBJSFHBIKFJLG-GOSISDBHSA-N 2 2 286.419 3.691 10 0 CHAELP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1c(F)cccc1F ZINC000088163950 327016636 /nfs/dbraw/zinc/01/66/36/327016636.db2.gz DTKVXJLJAXXWES-RLAWYHOSSA-N 2 2 294.389 3.631 10 0 CHAELP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1c(F)cccc1F ZINC000088163950 327016638 /nfs/dbraw/zinc/01/66/38/327016638.db2.gz DTKVXJLJAXXWES-RLAWYHOSSA-N 2 2 294.389 3.631 10 0 CHAELP CC[C@H](C)[C@@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050550 327176424 /nfs/dbraw/zinc/17/64/24/327176424.db2.gz QNEVUMBFCPKVIM-UONOGXRCSA-N 2 2 273.424 3.530 10 0 CHAELP Cc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C)s1 ZINC000178323896 329198888 /nfs/dbraw/zinc/19/88/88/329198888.db2.gz TYEDFBJWYKLACF-MRXNPFEDSA-N 2 2 289.448 3.534 10 0 CHAELP Cc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C)s1 ZINC000178323896 329198889 /nfs/dbraw/zinc/19/88/89/329198889.db2.gz TYEDFBJWYKLACF-MRXNPFEDSA-N 2 2 289.448 3.534 10 0 CHAELP C[C@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000116878241 330361222 /nfs/dbraw/zinc/36/12/22/330361222.db2.gz FVNUEDUDGRJIID-IAGOWNOFSA-N 2 2 295.430 3.619 10 0 CHAELP C[C@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000116878241 330361223 /nfs/dbraw/zinc/36/12/23/330361223.db2.gz FVNUEDUDGRJIID-IAGOWNOFSA-N 2 2 295.430 3.619 10 0 CHAELP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000381038946 336046344 /nfs/dbraw/zinc/04/63/44/336046344.db2.gz DBGBOFBJYMUORF-HRCADAONSA-N 2 2 262.441 3.531 10 0 CHAELP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000381038946 336046345 /nfs/dbraw/zinc/04/63/45/336046345.db2.gz DBGBOFBJYMUORF-HRCADAONSA-N 2 2 262.441 3.531 10 0 CHAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000151353226 519692464 /nfs/dbraw/zinc/69/24/64/519692464.db2.gz NSBPLRJMNGSAIB-BMFZPTHFSA-N 2 2 290.476 3.542 10 0 CHAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000151353226 519692467 /nfs/dbraw/zinc/69/24/67/519692467.db2.gz NSBPLRJMNGSAIB-BMFZPTHFSA-N 2 2 290.476 3.542 10 0 CHAELP CCCC1CC[NH+]([C@@H](c2ccsc2)[C@@H](C)[NH3+])CC1 ZINC000050893030 519903583 /nfs/dbraw/zinc/90/35/83/519903583.db2.gz JFVQVPDFYQRLSO-IUODEOHRSA-N 2 2 266.454 3.649 10 0 CHAELP CCC[NH2+][C@H]1CC[N@@H+]([C@@H](CCC)c2cccs2)C1 ZINC000049545606 520095030 /nfs/dbraw/zinc/09/50/30/520095030.db2.gz CYAXWSWUTMWOFP-KBPBESRZSA-N 2 2 266.454 3.663 10 0 CHAELP CCC[NH2+][C@H]1CC[N@H+]([C@@H](CCC)c2cccs2)C1 ZINC000049545606 520095039 /nfs/dbraw/zinc/09/50/39/520095039.db2.gz CYAXWSWUTMWOFP-KBPBESRZSA-N 2 2 266.454 3.663 10 0 CHAELP CCC[N@H+](CC1CC1)[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052514323 521627462 /nfs/dbraw/zinc/62/74/62/521627462.db2.gz HCHFWAMYMIZERI-OAHLLOKOSA-N 2 2 254.462 3.521 10 0 CHAELP CCC[N@@H+](CC1CC1)[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052514323 521627466 /nfs/dbraw/zinc/62/74/66/521627466.db2.gz HCHFWAMYMIZERI-OAHLLOKOSA-N 2 2 254.462 3.521 10 0 CHAELP CC[C@H](C[NH2+]CC(C)C)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546568 522195279 /nfs/dbraw/zinc/19/52/79/522195279.db2.gz QDASUUSMWNLUEF-ARFHVFGLSA-N 2 2 254.462 3.521 10 0 CHAELP CC[C@H](C[NH2+]CC(C)C)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546568 522195287 /nfs/dbraw/zinc/19/52/87/522195287.db2.gz QDASUUSMWNLUEF-ARFHVFGLSA-N 2 2 254.462 3.521 10 0 CHAELP CC[C@@H](C[NH2+]CC(C)C)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546567 522548683 /nfs/dbraw/zinc/54/86/83/522548683.db2.gz QDASUUSMWNLUEF-HRCADAONSA-N 2 2 254.462 3.521 10 0 CHAELP CC[C@@H](C[NH2+]CC(C)C)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546567 522548688 /nfs/dbraw/zinc/54/86/88/522548688.db2.gz QDASUUSMWNLUEF-HRCADAONSA-N 2 2 254.462 3.521 10 0 CHAELP CC[C@H](C)C[C@](CC)(C[NH3+])[NH+]1Cc2ccccc2C1 ZINC000050910692 523903741 /nfs/dbraw/zinc/90/37/41/523903741.db2.gz SPTWBYOMVXNMBS-WMLDXEAASA-N 2 2 260.425 3.546 10 0 CHAELP C[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)[NH+]1CCC(C)(C)CC1 ZINC000061818312 525006081 /nfs/dbraw/zinc/00/60/81/525006081.db2.gz YOWYOVALUWOSFZ-DOMZBBRYSA-N 2 2 280.843 3.850 10 0 CHAELP CC(C)Cc1ccc([C@@H](C)[NH2+][C@H]2C[NH+]3CCC2CC3)cc1 ZINC000019947366 170937638 /nfs/dbraw/zinc/93/76/38/170937638.db2.gz BZLFPYCDHMDYEZ-BEFAXECRSA-N 2 2 286.463 3.630 10 0 CHAELP C[C@@H]1C[C@@H](C)C[NH+](C2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000021012008 171287540 /nfs/dbraw/zinc/28/75/40/171287540.db2.gz ASXQZYRZAXXXJH-RSIVFMTNSA-N 2 2 280.500 3.898 10 0 CHAELP CC[NH+](CC)CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000021790796 171323903 /nfs/dbraw/zinc/32/39/03/171323903.db2.gz APHPNMVFWDKXPT-GJZGRUSLSA-N 2 2 254.462 3.523 10 0 CHAELP CC[NH+](CC)CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000021790804 171323951 /nfs/dbraw/zinc/32/39/51/171323951.db2.gz APHPNMVFWDKXPT-CABCVRRESA-N 2 2 254.462 3.523 10 0 CHAELP C[C@H](C[NH2+]C1CCCCCCC1)[NH+]1CCCCC1 ZINC000038028298 174016387 /nfs/dbraw/zinc/01/63/87/174016387.db2.gz IGQCPNCLCALTAS-OAHLLOKOSA-N 2 2 252.446 3.563 10 0 CHAELP CC[C@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000038028578 174017476 /nfs/dbraw/zinc/01/74/76/174017476.db2.gz BONNGBQGSFDZFZ-AEFFLSMTSA-N 2 2 274.452 3.910 10 0 CHAELP CC(C)[C@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000038029120 174019125 /nfs/dbraw/zinc/01/91/25/174019125.db2.gz PIRMLLPUGFLCJA-AEFFLSMTSA-N 2 2 274.452 3.848 10 0 CHAELP CCCCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000038087701 174099616 /nfs/dbraw/zinc/09/96/16/174099616.db2.gz QALQSKUMIRCYMN-RDJZCZTQSA-N 2 2 262.441 3.848 10 0 CHAELP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1)[NH+](C)C ZINC000038087652 174099829 /nfs/dbraw/zinc/09/98/29/174099829.db2.gz RYAZNODMKWGIRP-DJIMGWMZSA-N 2 2 266.473 3.665 10 0 CHAELP CC(C)c1ccc([C@@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000039789045 174173139 /nfs/dbraw/zinc/17/31/39/174173139.db2.gz OBPJVJGSPLPUOH-RVKKMQEKSA-N 2 2 274.452 3.788 10 0 CHAELP CC(C)c1ccc([C@@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000039789045 174173140 /nfs/dbraw/zinc/17/31/40/174173140.db2.gz OBPJVJGSPLPUOH-RVKKMQEKSA-N 2 2 274.452 3.788 10 0 CHAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000042974969 174938712 /nfs/dbraw/zinc/93/87/12/174938712.db2.gz IRAFPJJRGKPPSZ-HUUCEWRRSA-N 2 2 266.816 3.604 10 0 CHAELP Cc1cc(C)c([C@@H](C)Nc2c[nH+]ccc2C)c(C)[nH+]1 ZINC000071413819 176159172 /nfs/dbraw/zinc/15/91/72/176159172.db2.gz RYQNWGDEWMLHIY-CQSZACIVSA-N 2 2 255.365 3.883 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1coc2ccccc12 ZINC000180123534 329211853 /nfs/dbraw/zinc/21/18/53/329211853.db2.gz SCRLROJGQOPTBZ-MRXNPFEDSA-N 2 2 295.386 3.602 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1coc2ccccc12 ZINC000180123534 329211855 /nfs/dbraw/zinc/21/18/55/329211855.db2.gz SCRLROJGQOPTBZ-MRXNPFEDSA-N 2 2 295.386 3.602 10 0 CHAELP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247489803 334282769 /nfs/dbraw/zinc/28/27/69/334282769.db2.gz KWDFXHRGSIQMFP-IRXDYDNUSA-N 2 2 295.430 3.885 10 0 CHAELP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247489803 334282770 /nfs/dbraw/zinc/28/27/70/334282770.db2.gz KWDFXHRGSIQMFP-IRXDYDNUSA-N 2 2 295.430 3.885 10 0 CHAELP C[C@H]1CCCC[C@@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050909 334356523 /nfs/dbraw/zinc/35/65/23/334356523.db2.gz GBXZDAWLVKIPKI-GJZGRUSLSA-N 2 2 285.435 3.674 10 0 CHAELP CCCCCC[C@](C)(C[NH3+])[NH+]1Cc2ccccc2C1 ZINC000050910702 520137253 /nfs/dbraw/zinc/13/72/53/520137253.db2.gz STQICYFZPAXSKX-QGZVFWFLSA-N 2 2 260.425 3.690 10 0 CHAELP CC[N@H+](Cc1cccs1)[C@@H](C[NH2+]C(C)C)C(C)C ZINC000052546263 521409762 /nfs/dbraw/zinc/40/97/62/521409762.db2.gz OEWLFVBXCLFBTC-HNNXBMFYSA-N 2 2 268.470 3.593 10 0 CHAELP CC[N@@H+](Cc1cccs1)[C@@H](C[NH2+]C(C)C)C(C)C ZINC000052546263 521409773 /nfs/dbraw/zinc/40/97/73/521409773.db2.gz OEWLFVBXCLFBTC-HNNXBMFYSA-N 2 2 268.470 3.593 10 0 CHAELP CCC[N@H+]([C@@H](C[NH2+]C(C)C)c1ccccc1)C1CC1 ZINC000052449313 521696754 /nfs/dbraw/zinc/69/67/54/521696754.db2.gz BAPWDEZAZHVXCS-KRWDZBQOSA-N 2 2 260.425 3.600 10 0 CHAELP CCC[N@@H+]([C@@H](C[NH2+]C(C)C)c1ccccc1)C1CC1 ZINC000052449313 521696756 /nfs/dbraw/zinc/69/67/56/521696756.db2.gz BAPWDEZAZHVXCS-KRWDZBQOSA-N 2 2 260.425 3.600 10 0 CHAELP CC[C@@H](C[NH2+]C(C)C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000052507959 522542883 /nfs/dbraw/zinc/54/28/83/522542883.db2.gz GCUBNDCJRQHFQM-HNNXBMFYSA-N 2 2 268.832 3.548 10 0 CHAELP CC[C@@H](C[NH2+]C(C)C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052507959 522542890 /nfs/dbraw/zinc/54/28/90/522542890.db2.gz GCUBNDCJRQHFQM-HNNXBMFYSA-N 2 2 268.832 3.548 10 0 CHAELP CC[C@@H](C[NH2+]CC(C)C)[N@H+](Cc1ccsc1)C1CC1 ZINC000052541969 522547194 /nfs/dbraw/zinc/54/71/94/522547194.db2.gz RSYVAWQLGCEDAJ-HNNXBMFYSA-N 2 2 280.481 3.737 10 0 CHAELP CC[C@@H](C[NH2+]CC(C)C)[N@@H+](Cc1ccsc1)C1CC1 ZINC000052541969 522547200 /nfs/dbraw/zinc/54/72/00/522547200.db2.gz RSYVAWQLGCEDAJ-HNNXBMFYSA-N 2 2 280.481 3.737 10 0 CHAELP C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)[NH+]1CCC(C)(C)CC1 ZINC000061818311 524837719 /nfs/dbraw/zinc/83/77/19/524837719.db2.gz YOWYOVALUWOSFZ-WFASDCNBSA-N 2 2 280.843 3.850 10 0 CHAELP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000057353479 567895067 /nfs/dbraw/zinc/89/50/67/567895067.db2.gz UACOWAKHXXFRTL-KRWDZBQOSA-N 2 2 299.462 3.796 10 0 CHAELP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000096747943 185111369 /nfs/dbraw/zinc/11/13/69/185111369.db2.gz GRBOJZGPSPHANX-HRCADAONSA-N 2 2 256.478 3.767 10 0 CHAELP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC000040502237 260285234 /nfs/dbraw/zinc/28/52/34/260285234.db2.gz HAHHIUWJYSAUQH-HOTGVXAUSA-N 2 2 280.843 3.865 10 0 CHAELP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000040502237 260285236 /nfs/dbraw/zinc/28/52/36/260285236.db2.gz HAHHIUWJYSAUQH-HOTGVXAUSA-N 2 2 280.843 3.865 10 0 CHAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)CC2CCCCC2)c1 ZINC000020225522 171088852 /nfs/dbraw/zinc/08/88/52/171088852.db2.gz DSKNBADYJJCQMR-KRWDZBQOSA-N 2 2 260.425 3.507 10 0 CHAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)CC2CCCCC2)c1 ZINC000020225522 171088856 /nfs/dbraw/zinc/08/88/56/171088856.db2.gz DSKNBADYJJCQMR-KRWDZBQOSA-N 2 2 260.425 3.507 10 0 CHAELP CCOc1ccccc1[C@@H](C[NH3+])[N@H+](C)CC1CCCCC1 ZINC000020226166 171089577 /nfs/dbraw/zinc/08/95/77/171089577.db2.gz MJJYSALSHDCHRS-QGZVFWFLSA-N 2 2 290.451 3.597 10 0 CHAELP CCOc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CC1CCCCC1 ZINC000020226166 171089580 /nfs/dbraw/zinc/08/95/80/171089580.db2.gz MJJYSALSHDCHRS-QGZVFWFLSA-N 2 2 290.451 3.597 10 0 CHAELP CCCCCC[C@](C)(C[NH3+])[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020362590 171161696 /nfs/dbraw/zinc/16/16/96/171161696.db2.gz RTVIDVMNVCVMHZ-OWCLPIDISA-N 2 2 254.462 3.652 10 0 CHAELP CCCCCC[C@](C)(C[NH3+])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020362590 171161698 /nfs/dbraw/zinc/16/16/98/171161698.db2.gz RTVIDVMNVCVMHZ-OWCLPIDISA-N 2 2 254.462 3.652 10 0 CHAELP CCCC[NH+](CCCC)C1(C[NH3+])CCC(C)CC1 ZINC000020362690 171161841 /nfs/dbraw/zinc/16/18/41/171161841.db2.gz REUDHPURZTVACO-UHFFFAOYSA-N 2 2 254.462 3.796 10 0 CHAELP CCCC[NH+](CCCC)[C@H](C[NH3+])c1ccccc1F ZINC000020484988 171224447 /nfs/dbraw/zinc/22/44/47/171224447.db2.gz VTEOOEIUBUGKTM-MRXNPFEDSA-N 2 2 266.404 3.728 10 0 CHAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021015596 171289541 /nfs/dbraw/zinc/28/95/41/171289541.db2.gz YDNHKERSBNOVPF-MWDXBVQZSA-N 2 2 266.473 3.521 10 0 CHAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021015596 171289542 /nfs/dbraw/zinc/28/95/42/171289542.db2.gz YDNHKERSBNOVPF-MWDXBVQZSA-N 2 2 266.473 3.521 10 0 CHAELP CCC[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+](CC)CC ZINC000021502206 171306084 /nfs/dbraw/zinc/30/60/84/171306084.db2.gz YNFIUYUDQLVBNL-DOTOQJQBSA-N 2 2 262.441 3.848 10 0 CHAELP CC[C@@H](C)C[C@](CC)(C[NH3+])[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021508357 171308978 /nfs/dbraw/zinc/30/89/78/171308978.db2.gz SEERTIVLJNUNCR-LVQVYYBASA-N 2 2 254.462 3.508 10 0 CHAELP CC[C@@H](C)C[C@](CC)(C[NH3+])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021508357 171308979 /nfs/dbraw/zinc/30/89/79/171308979.db2.gz SEERTIVLJNUNCR-LVQVYYBASA-N 2 2 254.462 3.508 10 0 CHAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000021812864 171329995 /nfs/dbraw/zinc/32/99/95/171329995.db2.gz RQFPSOVYTATKOV-KXBFYZLASA-N 2 2 282.431 3.975 10 0 CHAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000021812864 171329997 /nfs/dbraw/zinc/32/99/97/171329997.db2.gz RQFPSOVYTATKOV-KXBFYZLASA-N 2 2 282.431 3.975 10 0 CHAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000021812863 171330035 /nfs/dbraw/zinc/33/00/35/171330035.db2.gz RQFPSOVYTATKOV-HNAYVOBHSA-N 2 2 282.431 3.975 10 0 CHAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000021812863 171330037 /nfs/dbraw/zinc/33/00/37/171330037.db2.gz RQFPSOVYTATKOV-HNAYVOBHSA-N 2 2 282.431 3.975 10 0 CHAELP CCCCC[NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC ZINC000022152478 171359385 /nfs/dbraw/zinc/35/93/85/171359385.db2.gz FCZZUOVAKJTQHO-KRWDZBQOSA-N 2 2 262.441 3.849 10 0 CHAELP C[N@H+](C1CCCCC1)C1(C[NH3+])CCCCCCC1 ZINC000035176667 172029286 /nfs/dbraw/zinc/02/92/86/172029286.db2.gz IGPBPONTGXEMDW-UHFFFAOYSA-N 2 2 252.446 3.693 10 0 CHAELP C[N@@H+](C1CCCCC1)C1(C[NH3+])CCCCCCC1 ZINC000035176667 172029290 /nfs/dbraw/zinc/02/92/90/172029290.db2.gz IGPBPONTGXEMDW-UHFFFAOYSA-N 2 2 252.446 3.693 10 0 CHAELP CC[N@H+](C1CCCCC1)[C@](C)(C[NH3+])CCC(C)C ZINC000035176729 172030390 /nfs/dbraw/zinc/03/03/90/172030390.db2.gz BHHUGZWPUOXRGC-INIZCTEOSA-N 2 2 254.462 3.795 10 0 CHAELP CC[N@@H+](C1CCCCC1)[C@](C)(C[NH3+])CCC(C)C ZINC000035176729 172030392 /nfs/dbraw/zinc/03/03/92/172030392.db2.gz BHHUGZWPUOXRGC-INIZCTEOSA-N 2 2 254.462 3.795 10 0 CHAELP CCC[C@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000038028171 174016527 /nfs/dbraw/zinc/01/65/27/174016527.db2.gz FQZLXLGZBFHYGO-AEFFLSMTSA-N 2 2 274.452 3.992 10 0 CHAELP CCC[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000038028173 174016664 /nfs/dbraw/zinc/01/66/64/174016664.db2.gz FQZLXLGZBFHYGO-WMZOPIPTSA-N 2 2 274.452 3.992 10 0 CHAELP CC[C@@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000038028579 174017687 /nfs/dbraw/zinc/01/76/87/174017687.db2.gz BONNGBQGSFDZFZ-SJLPKXTDSA-N 2 2 274.452 3.910 10 0 CHAELP Cc1ccc([C@@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)C2CC2)cc1 ZINC000038029021 174018740 /nfs/dbraw/zinc/01/87/40/174018740.db2.gz NFJHZVSXFPJZPN-VQIMIIECSA-N 2 2 286.463 3.910 10 0 CHAELP CC1CC[NH+]([C@H](C[NH3+])c2ccc(C(C)(C)C)cc2)CC1 ZINC000038688809 174152248 /nfs/dbraw/zinc/15/22/48/174152248.db2.gz LCRUYKXOXKFUBK-QGZVFWFLSA-N 2 2 274.452 3.716 10 0 CHAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC000040502235 260285272 /nfs/dbraw/zinc/28/52/72/260285272.db2.gz HAHHIUWJYSAUQH-CVEARBPZSA-N 2 2 280.843 3.865 10 0 CHAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000040502235 260285273 /nfs/dbraw/zinc/28/52/73/260285273.db2.gz HAHHIUWJYSAUQH-CVEARBPZSA-N 2 2 280.843 3.865 10 0 CHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000106216141 261323362 /nfs/dbraw/zinc/32/33/62/261323362.db2.gz POGVUZJSCOOAIP-KRWDZBQOSA-N 2 2 283.419 3.591 10 0 CHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000106216141 261323364 /nfs/dbraw/zinc/32/33/64/261323364.db2.gz POGVUZJSCOOAIP-KRWDZBQOSA-N 2 2 283.419 3.591 10 0 CHAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)c(Cl)c1 ZINC000222694202 333198934 /nfs/dbraw/zinc/19/89/34/333198934.db2.gz CYUUAGXFOQRDCG-PWSUYJOCSA-N 2 2 287.234 3.738 10 0 CHAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)c(Cl)c1 ZINC000222694202 333198936 /nfs/dbraw/zinc/19/89/36/333198936.db2.gz CYUUAGXFOQRDCG-PWSUYJOCSA-N 2 2 287.234 3.738 10 0 CHAELP CC(C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000250774143 334349984 /nfs/dbraw/zinc/34/99/84/334349984.db2.gz UNYMQOWTUMAZKL-ZBFHGGJFSA-N 2 2 280.843 3.721 10 0 CHAELP CC(C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000250774143 334349986 /nfs/dbraw/zinc/34/99/86/334349986.db2.gz UNYMQOWTUMAZKL-ZBFHGGJFSA-N 2 2 280.843 3.721 10 0 CHAELP CCC[NH2+]C[C@H](C(C)C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517353 519929100 /nfs/dbraw/zinc/92/91/00/519929100.db2.gz PKLXRJMBGFNJTJ-IAGOWNOFSA-N 2 2 266.473 3.665 10 0 CHAELP CCC[NH2+]C[C@H](C(C)C)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517353 519929104 /nfs/dbraw/zinc/92/91/04/519929104.db2.gz PKLXRJMBGFNJTJ-IAGOWNOFSA-N 2 2 266.473 3.665 10 0 CHAELP CCC[NH2+]C[C@H](CC)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052346297 519931965 /nfs/dbraw/zinc/93/19/65/519931965.db2.gz TUHJURXFOJESOG-HNNXBMFYSA-N 2 2 268.832 3.550 10 0 CHAELP CCC[NH2+]C[C@H](CC)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346297 519931956 /nfs/dbraw/zinc/93/19/56/519931956.db2.gz TUHJURXFOJESOG-HNNXBMFYSA-N 2 2 268.832 3.550 10 0 CHAELP CCCCCC[C@@](C)(C[NH3+])[NH+]1Cc2ccccc2C1 ZINC000050910701 520122701 /nfs/dbraw/zinc/12/27/01/520122701.db2.gz STQICYFZPAXSKX-KRWDZBQOSA-N 2 2 260.425 3.690 10 0 CHAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](C)[C@@H](C)CC(C)C ZINC000052203817 521951363 /nfs/dbraw/zinc/95/13/63/521951363.db2.gz IZEVKGBRFATYJV-YOEHRIQHSA-N 2 2 262.441 3.615 10 0 CHAELP C[N@H+](CC(C)(C)C)[C@H](C[NH3+])c1csc2ccccc21 ZINC000054464544 522547339 /nfs/dbraw/zinc/54/73/39/522547339.db2.gz UWYFCUYVLHJUQC-CQSZACIVSA-N 2 2 276.449 3.879 10 0 CHAELP C[N@@H+](CC(C)(C)C)[C@H](C[NH3+])c1csc2ccccc21 ZINC000054464544 522547348 /nfs/dbraw/zinc/54/73/48/522547348.db2.gz UWYFCUYVLHJUQC-CQSZACIVSA-N 2 2 276.449 3.879 10 0 CHAELP CC(C)C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062671511 519270390 /nfs/dbraw/zinc/27/03/90/519270390.db2.gz ZDCHDFBZPSVELH-MRXNPFEDSA-N 2 2 280.843 3.550 10 0 CHAELP CC(C)C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062671511 519270396 /nfs/dbraw/zinc/27/03/96/519270396.db2.gz ZDCHDFBZPSVELH-MRXNPFEDSA-N 2 2 280.843 3.550 10 0 CHAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546502 519722860 /nfs/dbraw/zinc/72/28/60/519722860.db2.gz CMHLLBTUMFFJEC-XHSDSOJGSA-N 2 2 254.462 3.520 10 0 CHAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546502 519722861 /nfs/dbraw/zinc/72/28/61/519722861.db2.gz CMHLLBTUMFFJEC-XHSDSOJGSA-N 2 2 254.462 3.520 10 0 CHAELP CC(C)C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1Cl ZINC000052372036 519743977 /nfs/dbraw/zinc/74/39/77/519743977.db2.gz YNLFWOSQWGZRFX-AWEZNQCLSA-N 2 2 282.859 3.796 10 0 CHAELP CC(C)C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1Cl ZINC000052372036 519743979 /nfs/dbraw/zinc/74/39/79/519743979.db2.gz YNLFWOSQWGZRFX-AWEZNQCLSA-N 2 2 282.859 3.796 10 0 CHAELP CC[N@H+](Cc1cccs1)[C@H](C[NH2+]C(C)C)C(C)C ZINC000052546264 521409613 /nfs/dbraw/zinc/40/96/13/521409613.db2.gz OEWLFVBXCLFBTC-OAHLLOKOSA-N 2 2 268.470 3.593 10 0 CHAELP CC[N@@H+](Cc1cccs1)[C@H](C[NH2+]C(C)C)C(C)C ZINC000052546264 521409621 /nfs/dbraw/zinc/40/96/21/521409621.db2.gz OEWLFVBXCLFBTC-OAHLLOKOSA-N 2 2 268.470 3.593 10 0 CHAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](C)[C@@H](C)CC(C)C ZINC000052203817 521951356 /nfs/dbraw/zinc/95/13/56/521951356.db2.gz IZEVKGBRFATYJV-YOEHRIQHSA-N 2 2 262.441 3.615 10 0 CHAELP CC[C@H](C[NH2+]CC(C)C)[N@H+](CC)Cc1ccccc1 ZINC000052443722 522195106 /nfs/dbraw/zinc/19/51/06/522195106.db2.gz MHNWEDHRDIWGGC-QGZVFWFLSA-N 2 2 262.441 3.533 10 0 CHAELP CC[C@H](C[NH2+]CC(C)C)[N@@H+](CC)Cc1ccccc1 ZINC000052443722 522195114 /nfs/dbraw/zinc/19/51/14/522195114.db2.gz MHNWEDHRDIWGGC-QGZVFWFLSA-N 2 2 262.441 3.533 10 0 CHAELP Cc1[nH+]c[nH]c1C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000054796130 527214527 /nfs/dbraw/zinc/21/45/27/527214527.db2.gz JVHWCBVROCLWOD-HNNXBMFYSA-N 2 2 275.421 3.801 10 0 CHAELP CCC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000040502442 260285292 /nfs/dbraw/zinc/28/52/92/260285292.db2.gz MWAOEJKESMXXMS-IAGOWNOFSA-N 2 2 260.425 3.602 10 0 CHAELP CCC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000040502442 260285293 /nfs/dbraw/zinc/28/52/93/260285293.db2.gz MWAOEJKESMXXMS-IAGOWNOFSA-N 2 2 260.425 3.602 10 0 CHAELP Cc1cc2[nH+]cn(-c3ccc([C@@H](C)[NH3+])cc3F)c2cc1C ZINC000019872853 170902527 /nfs/dbraw/zinc/90/25/27/170902527.db2.gz WNPPJASYHRDJMY-GFCCVEGCSA-N 2 2 283.350 3.801 10 0 CHAELP C[N@H+](CCc1ccccc1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225986 171090244 /nfs/dbraw/zinc/09/02/44/171090244.db2.gz PFPTUJTWGIHDAT-KRWDZBQOSA-N 2 2 288.822 3.514 10 0 CHAELP C[N@@H+](CCc1ccccc1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225986 171090246 /nfs/dbraw/zinc/09/02/46/171090246.db2.gz PFPTUJTWGIHDAT-KRWDZBQOSA-N 2 2 288.822 3.514 10 0 CHAELP C[N@H+](CCc1ccccc1)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225987 171090422 /nfs/dbraw/zinc/09/04/22/171090422.db2.gz PFPTUJTWGIHDAT-QGZVFWFLSA-N 2 2 288.822 3.514 10 0 CHAELP C[N@@H+](CCc1ccccc1)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225987 171090425 /nfs/dbraw/zinc/09/04/25/171090425.db2.gz PFPTUJTWGIHDAT-QGZVFWFLSA-N 2 2 288.822 3.514 10 0 CHAELP CCOc1ccccc1[C@H](C[NH3+])[N@H+](C)CC1CCCCC1 ZINC000020226167 171090433 /nfs/dbraw/zinc/09/04/33/171090433.db2.gz MJJYSALSHDCHRS-KRWDZBQOSA-N 2 2 290.451 3.597 10 0 CHAELP CCOc1ccccc1[C@H](C[NH3+])[N@@H+](C)CC1CCCCC1 ZINC000020226167 171090435 /nfs/dbraw/zinc/09/04/35/171090435.db2.gz MJJYSALSHDCHRS-KRWDZBQOSA-N 2 2 290.451 3.597 10 0 CHAELP CCCC[NH+](CCCC)[C@H](C[NH3+])c1ccsc1 ZINC000020484697 171224150 /nfs/dbraw/zinc/22/41/50/171224150.db2.gz OALHRHFFYXCQCY-CQSZACIVSA-N 2 2 254.443 3.650 10 0 CHAELP CCCC[NH+](CCCC)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000020484784 171224272 /nfs/dbraw/zinc/22/42/72/171224272.db2.gz SLONTFKTRYGLRJ-KRWDZBQOSA-N 2 2 278.440 3.597 10 0 CHAELP CCCC[NH+](CCCC)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000020484761 171224655 /nfs/dbraw/zinc/22/46/55/171224655.db2.gz UJPHUTBRHZFWFI-KRWDZBQOSA-N 2 2 278.440 3.597 10 0 CHAELP CCCC[NH+](CCCC)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000020485401 171225096 /nfs/dbraw/zinc/22/50/96/171225096.db2.gz XIJCNBLZYZISPU-CVEARBPZSA-N 2 2 254.462 3.939 10 0 CHAELP CCCCCC[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020520390 171233937 /nfs/dbraw/zinc/23/39/37/171233937.db2.gz OEDQUNDXYXCEBD-HOTGVXAUSA-N 2 2 256.478 3.911 10 0 CHAELP CC[C@@H](C)C[C@@](CC)(C[NH3+])[NH+]1CCCCCCC1 ZINC000020547506 171244997 /nfs/dbraw/zinc/24/49/97/171244997.db2.gz NIRTYKCJZBTQFD-CVEARBPZSA-N 2 2 254.462 3.796 10 0 CHAELP C[C@H]1CCC[N@@H+](C2(C[NH3+])CCC(c3ccccc3)CC2)C1 ZINC000020547862 171245062 /nfs/dbraw/zinc/24/50/62/171245062.db2.gz XVCSDVUNULJHKM-IVMQYODDSA-N 2 2 286.463 3.774 10 0 CHAELP C[C@H]1CCC[N@H+](C2(C[NH3+])CCC(c3ccccc3)CC2)C1 ZINC000020547862 171245063 /nfs/dbraw/zinc/24/50/63/171245063.db2.gz XVCSDVUNULJHKM-IVMQYODDSA-N 2 2 286.463 3.774 10 0 CHAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@]2(C[NH3+])C[C@@H](C)CC(C)(C)C2)C1 ZINC000021027046 171291347 /nfs/dbraw/zinc/29/13/47/171291347.db2.gz ISLDIGDXLBNQAF-IVSAIRAKSA-N 2 2 266.473 3.508 10 0 CHAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@]2(C[NH3+])C[C@@H](C)CC(C)(C)C2)C1 ZINC000021027046 171291348 /nfs/dbraw/zinc/29/13/48/171291348.db2.gz ISLDIGDXLBNQAF-IVSAIRAKSA-N 2 2 266.473 3.508 10 0 CHAELP CCC[NH+](CCC)[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000021500213 171304983 /nfs/dbraw/zinc/30/49/83/171304983.db2.gz VWLOWLWGJBFENC-ILXRZTDVSA-N 2 2 254.462 3.651 10 0 CHAELP CCC(C)(C)C1CCC([NH2+][C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000021516391 171312808 /nfs/dbraw/zinc/31/28/08/171312808.db2.gz KISLOMDXACFUOA-OFLPRAFFSA-N 2 2 278.484 3.665 10 0 CHAELP CC[N@H+]([C@@H](C[NH3+])c1sccc1C)C1CCCCC1 ZINC000022163543 171364767 /nfs/dbraw/zinc/36/47/67/171364767.db2.gz LWOPOQCZKRBTIE-AWEZNQCLSA-N 2 2 266.454 3.711 10 0 CHAELP CC[N@@H+]([C@@H](C[NH3+])c1sccc1C)C1CCCCC1 ZINC000022163543 171364768 /nfs/dbraw/zinc/36/47/68/171364768.db2.gz LWOPOQCZKRBTIE-AWEZNQCLSA-N 2 2 266.454 3.711 10 0 CHAELP C[N@H+]([C@@H](C[NH3+])c1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000022211098 171373347 /nfs/dbraw/zinc/37/33/47/171373347.db2.gz SCYROBNBRTWKKP-HNNXBMFYSA-N 2 2 298.377 3.552 10 0 CHAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000022211098 171373349 /nfs/dbraw/zinc/37/33/49/171373349.db2.gz SCYROBNBRTWKKP-HNNXBMFYSA-N 2 2 298.377 3.552 10 0 CHAELP CCC1CCC(C[NH3+])([N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000035176781 172029972 /nfs/dbraw/zinc/02/99/72/172029972.db2.gz SOTNKJOJAIMXAM-JDEYZFBPSA-N 2 2 278.484 3.796 10 0 CHAELP CCC1CCC(C[NH3+])([N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000035176781 172029976 /nfs/dbraw/zinc/02/99/76/172029976.db2.gz SOTNKJOJAIMXAM-JDEYZFBPSA-N 2 2 278.484 3.796 10 0 CHAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000035570325 172266045 /nfs/dbraw/zinc/26/60/45/172266045.db2.gz MRGHQKVBLVAHCC-GFCCVEGCSA-N 2 2 284.190 3.610 10 0 CHAELP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028200 174016352 /nfs/dbraw/zinc/01/63/52/174016352.db2.gz MJNRHIOWJYCRKP-XHSDSOJGSA-N 2 2 254.462 3.665 10 0 CHAELP CCC[C@@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000038028172 174016681 /nfs/dbraw/zinc/01/66/81/174016681.db2.gz FQZLXLGZBFHYGO-SJLPKXTDSA-N 2 2 274.452 3.992 10 0 CHAELP CC[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000038028580 174017295 /nfs/dbraw/zinc/01/72/95/174017295.db2.gz BONNGBQGSFDZFZ-WMZOPIPTSA-N 2 2 274.452 3.910 10 0 CHAELP C[C@H](C[NH2+][C@H]1CCCCc2ccccc21)[NH+]1CCCCC1 ZINC000038028453 174017795 /nfs/dbraw/zinc/01/77/95/174017795.db2.gz NTAWSZCQDQDCCD-APWZRJJASA-N 2 2 286.463 3.918 10 0 CHAELP CC(C)[C@@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000038029121 174019378 /nfs/dbraw/zinc/01/93/78/174019378.db2.gz PIRMLLPUGFLCJA-SJLPKXTDSA-N 2 2 274.452 3.848 10 0 CHAELP C[C@H](C[NH2+][C@H](C)c1c(F)cccc1F)C[NH+]1CCCCC1 ZINC000038041675 174043521 /nfs/dbraw/zinc/04/35/21/174043521.db2.gz WKWZOGKKHDLSRQ-ZIAGYGMSSA-N 2 2 296.405 3.737 10 0 CHAELP CCCCC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000038087702 174099797 /nfs/dbraw/zinc/09/97/97/174099797.db2.gz QALQSKUMIRCYMN-DOTOQJQBSA-N 2 2 262.441 3.848 10 0 CHAELP CC(C)(C)c1ccc([C@@H](C[NH3+])[NH+]2CCCCCC2)cc1 ZINC000039148483 174164484 /nfs/dbraw/zinc/16/44/84/174164484.db2.gz XEKRDIOCDHMSRU-QGZVFWFLSA-N 2 2 274.452 3.860 10 0 CHAELP CC[NH+](CC)CCCn1c(C)[nH+]c2ccc(Cl)cc21 ZINC000040403682 174253881 /nfs/dbraw/zinc/25/38/81/174253881.db2.gz XJRJBTGNAWAFKP-UHFFFAOYSA-N 2 2 279.815 3.730 10 0 CHAELP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171640400 335073032 /nfs/dbraw/zinc/07/30/32/335073032.db2.gz GWRNHEXIQOGCNH-AEFFLSMTSA-N 2 2 295.430 3.967 10 0 CHAELP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171640400 335073034 /nfs/dbraw/zinc/07/30/34/335073034.db2.gz GWRNHEXIQOGCNH-AEFFLSMTSA-N 2 2 295.430 3.967 10 0 CHAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)c(Cl)c1 ZINC000222694237 260231221 /nfs/dbraw/zinc/23/12/21/260231221.db2.gz CYUUAGXFOQRDCG-JQWIXIFHSA-N 2 2 287.234 3.738 10 0 CHAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)c(Cl)c1 ZINC000222694237 260231222 /nfs/dbraw/zinc/23/12/22/260231222.db2.gz CYUUAGXFOQRDCG-JQWIXIFHSA-N 2 2 287.234 3.738 10 0 CHAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1nccs1 ZINC000091730811 260483681 /nfs/dbraw/zinc/48/36/81/260483681.db2.gz DYNBSQWJGVKMMJ-STQMWFEESA-N 2 2 298.415 3.741 10 0 CHAELP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000173779097 261169450 /nfs/dbraw/zinc/16/94/50/261169450.db2.gz KWDFXHRGSIQMFP-IAGOWNOFSA-N 2 2 295.430 3.885 10 0 CHAELP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000173779097 261169451 /nfs/dbraw/zinc/16/94/51/261169451.db2.gz KWDFXHRGSIQMFP-IAGOWNOFSA-N 2 2 295.430 3.885 10 0 CHAELP CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090175503 327031855 /nfs/dbraw/zinc/03/18/55/327031855.db2.gz YWUNTXVGAQDZGF-YSVLISHTSA-N 2 2 269.392 3.712 10 0 CHAELP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(Cl)c(Cl)c1 ZINC000400481708 329727921 /nfs/dbraw/zinc/72/79/21/329727921.db2.gz WJLKQWYJHWIXEB-PKFCDNJMSA-N 2 2 287.234 3.785 10 0 CHAELP Cc1ccccc1[C@@H]([NH2+]CCC[NH+](C)C)c1ccccc1 ZINC000105689712 330327943 /nfs/dbraw/zinc/32/79/43/330327943.db2.gz BIPIABRNRKFERM-IBGZPJMESA-N 2 2 282.431 3.626 10 0 CHAELP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000045094452 330338486 /nfs/dbraw/zinc/33/84/86/330338486.db2.gz FLXPZJAMKZECTG-HZPDHXFCSA-N 2 2 277.456 3.858 10 0 CHAELP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000222696765 333198927 /nfs/dbraw/zinc/19/89/27/333198927.db2.gz BPAKRAOZCVYJNE-HZPDHXFCSA-N 2 2 280.843 3.865 10 0 CHAELP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000222696765 333198926 /nfs/dbraw/zinc/19/89/26/333198926.db2.gz BPAKRAOZCVYJNE-HZPDHXFCSA-N 2 2 280.843 3.865 10 0 CHAELP C[C@@H]([NH2+][C@H]1C=CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189895497 333200058 /nfs/dbraw/zinc/20/00/58/333200058.db2.gz RPFWJLMCUBMGBG-ZBFHGGJFSA-N 2 2 267.376 3.632 10 0 CHAELP C[NH2+][C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000226709046 333268060 /nfs/dbraw/zinc/26/80/60/333268060.db2.gz AXUPDGMKYOZXCR-WMLDXEAASA-N 2 2 274.452 3.729 10 0 CHAELP C[NH2+][C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000226709046 333268061 /nfs/dbraw/zinc/26/80/61/333268061.db2.gz AXUPDGMKYOZXCR-WMLDXEAASA-N 2 2 274.452 3.729 10 0 CHAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2)C1 ZINC000250311355 333304396 /nfs/dbraw/zinc/30/43/96/333304396.db2.gz LXQNUTKYSKCHTN-DNVCBOLYSA-N 2 2 282.431 3.975 10 0 CHAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2)C1 ZINC000250311355 333304397 /nfs/dbraw/zinc/30/43/97/333304397.db2.gz LXQNUTKYSKCHTN-DNVCBOLYSA-N 2 2 282.431 3.975 10 0 CHAELP C[NH2+][C@@H]1CCC[N@@H+]([C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000251230349 334358532 /nfs/dbraw/zinc/35/85/32/334358532.db2.gz AXUPDGMKYOZXCR-RHSMWYFYSA-N 2 2 274.452 3.729 10 0 CHAELP C[NH2+][C@@H]1CCC[N@H+]([C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000251230349 334358533 /nfs/dbraw/zinc/35/85/33/334358533.db2.gz AXUPDGMKYOZXCR-RHSMWYFYSA-N 2 2 274.452 3.729 10 0 CHAELP CCC(C)(C)C1CCC([NH2+]Cc2c[nH+]c(C)[nH]2)CC1 ZINC000054821657 521278417 /nfs/dbraw/zinc/27/84/17/521278417.db2.gz YIBXJEBFIGFLEO-UHFFFAOYSA-N 2 2 263.429 3.803 10 0 CHAELP CCC[N@H+](CC)[C@H](C[NH2+]C(C)(C)C)c1ccccc1 ZINC000052448641 521614914 /nfs/dbraw/zinc/61/49/14/521614914.db2.gz GAWCFDBMNWZSEG-MRXNPFEDSA-N 2 2 262.441 3.848 10 0 CHAELP CCC[N@@H+](CC)[C@H](C[NH2+]C(C)(C)C)c1ccccc1 ZINC000052448641 521614916 /nfs/dbraw/zinc/61/49/16/521614916.db2.gz GAWCFDBMNWZSEG-MRXNPFEDSA-N 2 2 262.441 3.848 10 0 CHAELP CC[C@@H](C[NH2+]CC(C)C)[N@H+](CC)Cc1ccccc1 ZINC000052443721 522548271 /nfs/dbraw/zinc/54/82/71/522548271.db2.gz MHNWEDHRDIWGGC-KRWDZBQOSA-N 2 2 262.441 3.533 10 0 CHAELP CC[C@@H](C[NH2+]CC(C)C)[N@@H+](CC)Cc1ccccc1 ZINC000052443721 522548284 /nfs/dbraw/zinc/54/82/84/522548284.db2.gz MHNWEDHRDIWGGC-KRWDZBQOSA-N 2 2 262.441 3.533 10 0 CHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000119286749 522600048 /nfs/dbraw/zinc/60/00/48/522600048.db2.gz UEQMFGIILBEYEL-INIZCTEOSA-N 2 2 275.440 3.663 10 0 CHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000119286749 522600053 /nfs/dbraw/zinc/60/00/53/522600053.db2.gz UEQMFGIILBEYEL-INIZCTEOSA-N 2 2 275.440 3.663 10 0 CHAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccco1 ZINC000151700511 525533440 /nfs/dbraw/zinc/53/34/40/525533440.db2.gz ZIRNRAPJHKYTIM-KBPBESRZSA-N 2 2 281.359 3.877 10 0 CHAELP Cc1cc2[nH+]cn([C@H](C)CC[NH2+]C(C)C)c2cc1C ZINC000052575723 525685426 /nfs/dbraw/zinc/68/54/26/525685426.db2.gz WFQVQUBLHFTNDJ-CQSZACIVSA-N 2 2 259.397 3.602 10 0 CHAELP CCC[NH+]1CCC(n2c3ccc(F)cc3[nH+]c2CC)CC1 ZINC000015009059 570321474 /nfs/dbraw/zinc/32/14/74/570321474.db2.gz FYGJMHSEDARONV-UHFFFAOYSA-N 2 2 289.398 3.785 10 0 CHAELP C[NH+](C)CC(C)(C)C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000019905864 170917473 /nfs/dbraw/zinc/91/74/73/170917473.db2.gz BXPDPLARPZUGAV-KRWDZBQOSA-N 2 2 286.419 3.546 10 0 CHAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CCCCC2)cc1 ZINC000020225579 171089104 /nfs/dbraw/zinc/08/91/04/171089104.db2.gz AVSPIMBPIWVNCD-QGZVFWFLSA-N 2 2 260.425 3.507 10 0 CHAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CCCCC2)cc1 ZINC000020225579 171089106 /nfs/dbraw/zinc/08/91/06/171089106.db2.gz AVSPIMBPIWVNCD-QGZVFWFLSA-N 2 2 260.425 3.507 10 0 CHAELP C[C@H]1CCC[N@@H+](C2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000020549639 171246086 /nfs/dbraw/zinc/24/60/86/171246086.db2.gz IURKWGSOTKAMQA-UQPPLGOBSA-N 2 2 266.473 3.652 10 0 CHAELP C[C@H]1CCC[N@H+](C2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000020549639 171246087 /nfs/dbraw/zinc/24/60/87/171246087.db2.gz IURKWGSOTKAMQA-UQPPLGOBSA-N 2 2 266.473 3.652 10 0 CHAELP CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H]([NH+]2CCCCCC2)C1 ZINC000020558753 171251009 /nfs/dbraw/zinc/25/10/09/171251009.db2.gz AFHUBFDWICPHDG-OAGGEKHMSA-N 2 2 266.473 3.795 10 0 CHAELP CSCCC[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000021012255 171287472 /nfs/dbraw/zinc/28/74/72/171287472.db2.gz WNZZHKZUIYBRPD-UHFFFAOYSA-N 2 2 284.513 3.518 10 0 CHAELP C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C[NH3+])c2ccc(C(C)(C)C)cc2)C1 ZINC000021517885 171313971 /nfs/dbraw/zinc/31/39/71/171313971.db2.gz RWOPBQVSYOELFC-RKVPGOIHSA-N 2 2 288.479 3.962 10 0 CHAELP [NH3+]C[C@H](c1cccc(Cl)c1)[NH+]1CCCCCCC1 ZINC000021518600 171314374 /nfs/dbraw/zinc/31/43/74/171314374.db2.gz ZPWWJMYOGDWPSR-OAHLLOKOSA-N 2 2 266.816 3.606 10 0 CHAELP CC(C)C[C@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC000021520189 171315423 /nfs/dbraw/zinc/31/54/23/171315423.db2.gz ANSOAVJJHDNFBO-BZUAXINKSA-N 2 2 268.489 3.767 10 0 CHAELP CCC[NH+](CCC)[C@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000021814651 171331539 /nfs/dbraw/zinc/33/15/39/171331539.db2.gz MZCIELJBAXKSPV-SQNIBIBYSA-N 2 2 274.452 3.772 10 0 CHAELP CC[N@H+]([C@@H](C[NH3+])c1cccc(Cl)c1)C1CCCCC1 ZINC000021819078 171333859 /nfs/dbraw/zinc/33/38/59/171333859.db2.gz UKFBGJBFTXBYPC-INIZCTEOSA-N 2 2 280.843 3.994 10 0 CHAELP CC[N@@H+]([C@@H](C[NH3+])c1cccc(Cl)c1)C1CCCCC1 ZINC000021819078 171333860 /nfs/dbraw/zinc/33/38/60/171333860.db2.gz UKFBGJBFTXBYPC-INIZCTEOSA-N 2 2 280.843 3.994 10 0 CHAELP CC[N@H+](Cc1ccccc1)[C@H](C[NH3+])c1ccc(C)s1 ZINC000037328325 173128749 /nfs/dbraw/zinc/12/87/49/173128749.db2.gz HSPRYMQONBUVPL-OAHLLOKOSA-N 2 2 274.433 3.578 10 0 CHAELP CC[N@@H+](Cc1ccccc1)[C@H](C[NH3+])c1ccc(C)s1 ZINC000037328325 173128750 /nfs/dbraw/zinc/12/87/50/173128750.db2.gz HSPRYMQONBUVPL-OAHLLOKOSA-N 2 2 274.433 3.578 10 0 CHAELP CC(C)[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424968 173199029 /nfs/dbraw/zinc/19/90/29/173199029.db2.gz ZSCSCCMPOODNAE-HZMBPMFUSA-N 2 2 289.250 3.970 10 0 CHAELP CC(C)[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424968 173199031 /nfs/dbraw/zinc/19/90/31/173199031.db2.gz ZSCSCCMPOODNAE-HZMBPMFUSA-N 2 2 289.250 3.970 10 0 CHAELP C[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1)[NH+](C)C ZINC000038087651 174099340 /nfs/dbraw/zinc/09/93/40/174099340.db2.gz RYAZNODMKWGIRP-USXIJHARSA-N 2 2 266.473 3.665 10 0 CHAELP CCC(C)(C)C1CCC([NH2+]C[C@@H](C)[NH+](C)C)CC1 ZINC000038088974 174102674 /nfs/dbraw/zinc/10/26/74/174102674.db2.gz DSIOZCGICMINCW-WLYUNCDWSA-N 2 2 254.462 3.521 10 0 CHAELP CCc1[nH+]c2cc(Cl)ccc2n1CCC[NH+](CC)CC ZINC000040403685 174253870 /nfs/dbraw/zinc/25/38/70/174253870.db2.gz LYQQBOFRCAOWLJ-UHFFFAOYSA-N 2 2 293.842 3.984 10 0 CHAELP [NH3+]CCCc1[nH+]c2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417912 174256524 /nfs/dbraw/zinc/25/65/24/174256524.db2.gz HQJRYHXELJWEAF-UHFFFAOYSA-N 2 2 299.805 3.629 10 0 CHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000106215477 261323596 /nfs/dbraw/zinc/32/35/96/261323596.db2.gz NTYQCMYQTWFPOH-KRWDZBQOSA-N 2 2 283.419 3.591 10 0 CHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000106215477 261323597 /nfs/dbraw/zinc/32/35/97/261323597.db2.gz NTYQCMYQTWFPOH-KRWDZBQOSA-N 2 2 283.419 3.591 10 0 CHAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1cccc(C)c1 ZINC000311338667 262237750 /nfs/dbraw/zinc/23/77/50/262237750.db2.gz JQQALIBXSJHDME-SJORKVTESA-N 2 2 260.425 3.520 10 0 CHAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1cccc(C)c1 ZINC000311338667 262237751 /nfs/dbraw/zinc/23/77/51/262237751.db2.gz JQQALIBXSJHDME-SJORKVTESA-N 2 2 260.425 3.520 10 0 CHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000171523011 329076841 /nfs/dbraw/zinc/07/68/41/329076841.db2.gz VLPWZVUGEHQTOT-QGZVFWFLSA-N 2 2 283.419 3.591 10 0 CHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC000171523011 329076842 /nfs/dbraw/zinc/07/68/42/329076842.db2.gz VLPWZVUGEHQTOT-QGZVFWFLSA-N 2 2 283.419 3.591 10 0 CHAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000396645152 329695010 /nfs/dbraw/zinc/69/50/10/329695010.db2.gz OFNPFFFTOAUTGV-BPNCWPANSA-N 2 2 296.867 3.607 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCCc2ccccc21 ZINC000247147749 334276494 /nfs/dbraw/zinc/27/64/94/334276494.db2.gz UCSOVEJYWLKGAN-MJGOQNOKSA-N 2 2 295.430 3.734 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCCc2ccccc21 ZINC000247147749 334276496 /nfs/dbraw/zinc/27/64/96/334276496.db2.gz UCSOVEJYWLKGAN-MJGOQNOKSA-N 2 2 295.430 3.734 10 0 CHAELP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246093773 334231286 /nfs/dbraw/zinc/23/12/86/334231286.db2.gz GWRNHEXIQOGCNH-FUHWJXTLSA-N 2 2 295.430 3.967 10 0 CHAELP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246093773 334231287 /nfs/dbraw/zinc/23/12/87/334231287.db2.gz GWRNHEXIQOGCNH-FUHWJXTLSA-N 2 2 295.430 3.967 10 0 CHAELP CCCCC[C@H](C)[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054602885 520301010 /nfs/dbraw/zinc/30/10/10/520301010.db2.gz BJDXGSPFKHWVET-HNSVSWJLSA-N 2 2 252.446 3.560 10 0 CHAELP CCCCC[C@H](C)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054602885 520301017 /nfs/dbraw/zinc/30/10/17/520301017.db2.gz BJDXGSPFKHWVET-HNSVSWJLSA-N 2 2 252.446 3.560 10 0 CHAELP CC(C)C1CCC([NH2+][C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000054555906 519567821 /nfs/dbraw/zinc/56/78/21/519567821.db2.gz UOQVEWGHTYBWMB-GTPINHCMSA-N 2 2 266.473 3.665 10 0 CHAELP CC(C)[C@@H](C[NH2+]C(C)(C)C)[NH+]1CCC(C)(C)CC1 ZINC000061823261 519794791 /nfs/dbraw/zinc/79/47/91/519794791.db2.gz YUACEVRXOBAONB-CQSZACIVSA-N 2 2 254.462 3.521 10 0 CHAELP CCC[C@H](CC)[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CC)C2 ZINC000054602243 521073345 /nfs/dbraw/zinc/07/33/45/521073345.db2.gz FVHALOKKVCRAOP-PNRVRQOCSA-N 2 2 252.446 3.560 10 0 CHAELP CCC[C@H](CC)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CC)C2 ZINC000054602243 521073353 /nfs/dbraw/zinc/07/33/53/521073353.db2.gz FVHALOKKVCRAOP-PNRVRQOCSA-N 2 2 252.446 3.560 10 0 CHAELP CC[N@H+]([C@H](C[NH2+]C(C)(C)C)C(C)C)C1CCCC1 ZINC000052457545 521477086 /nfs/dbraw/zinc/47/70/86/521477086.db2.gz OAPSMXKQHNRTRO-OAHLLOKOSA-N 2 2 254.462 3.664 10 0 CHAELP CC[N@@H+]([C@H](C[NH2+]C(C)(C)C)C(C)C)C1CCCC1 ZINC000052457545 521477090 /nfs/dbraw/zinc/47/70/90/521477090.db2.gz OAPSMXKQHNRTRO-OAHLLOKOSA-N 2 2 254.462 3.664 10 0 CHAELP Cc1cc([C@@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C)c(C)s1 ZINC000049197294 525474840 /nfs/dbraw/zinc/47/48/40/525474840.db2.gz PYRVHEOIWOMMNP-IUODEOHRSA-N 2 2 268.470 3.602 10 0 CHAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1 ZINC000020225446 171088486 /nfs/dbraw/zinc/08/84/86/171088486.db2.gz MFHRFQWXZHMRPV-KRWDZBQOSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000020225446 171088487 /nfs/dbraw/zinc/08/84/87/171088487.db2.gz MFHRFQWXZHMRPV-KRWDZBQOSA-N 2 2 288.822 3.780 10 0 CHAELP CCc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CCCCC2)cc1 ZINC000020225734 171089457 /nfs/dbraw/zinc/08/94/57/171089457.db2.gz FBERVOWJPTTWFH-GOSISDBHSA-N 2 2 274.452 3.761 10 0 CHAELP CCc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CCCCC2)cc1 ZINC000020225734 171089460 /nfs/dbraw/zinc/08/94/60/171089460.db2.gz FBERVOWJPTTWFH-GOSISDBHSA-N 2 2 274.452 3.761 10 0 CHAELP C[N@H+](CC1CCCCC1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226035 171089907 /nfs/dbraw/zinc/08/99/07/171089907.db2.gz UTHCHGCVCOTXQR-MRXNPFEDSA-N 2 2 280.843 3.852 10 0 CHAELP C[N@@H+](CC1CCCCC1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226035 171089910 /nfs/dbraw/zinc/08/99/10/171089910.db2.gz UTHCHGCVCOTXQR-MRXNPFEDSA-N 2 2 280.843 3.852 10 0 CHAELP C[C@@H]1C[N@H+]([C@@H]2CCCCCCCCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000020556020 171249720 /nfs/dbraw/zinc/24/97/20/171249720.db2.gz WMPHWCPDGZLZCH-XWTMOSNGSA-N 2 2 296.499 3.706 10 0 CHAELP C[C@@H]1C[N@@H+]([C@@H]2CCCCCCCCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000020556020 171249721 /nfs/dbraw/zinc/24/97/21/171249721.db2.gz WMPHWCPDGZLZCH-XWTMOSNGSA-N 2 2 296.499 3.706 10 0 CHAELP C[C@H]1CCCC[N@@H+]1C1(C[NH3+])CCC(c2ccccc2)CC1 ZINC000021012169 171287524 /nfs/dbraw/zinc/28/75/24/171287524.db2.gz CIPSCAWMAZLHBV-IVMQYODDSA-N 2 2 286.463 3.916 10 0 CHAELP C[C@H]1CCCC[N@H+]1C1(C[NH3+])CCC(c2ccccc2)CC1 ZINC000021012169 171287525 /nfs/dbraw/zinc/28/75/25/171287525.db2.gz CIPSCAWMAZLHBV-IVMQYODDSA-N 2 2 286.463 3.916 10 0 CHAELP CC[C@H](C)C[C@](CC)(C[NH3+])[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021508359 171308895 /nfs/dbraw/zinc/30/88/95/171308895.db2.gz SEERTIVLJNUNCR-CAOSSQGBSA-N 2 2 254.462 3.508 10 0 CHAELP CC[C@H](C)C[C@](CC)(C[NH3+])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021508359 171308897 /nfs/dbraw/zinc/30/88/97/171308897.db2.gz SEERTIVLJNUNCR-CAOSSQGBSA-N 2 2 254.462 3.508 10 0 CHAELP [NH3+]C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCCC1 ZINC000022221694 171378425 /nfs/dbraw/zinc/37/84/25/171378425.db2.gz OVEUSKGLFQTZBF-CQSZACIVSA-N 2 2 286.341 3.581 10 0 CHAELP CC[N@H+](C1CCCCC1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000035219753 172060329 /nfs/dbraw/zinc/06/03/29/172060329.db2.gz ZTLBWBQASYOHHQ-JKSUJKDBSA-N 2 2 252.446 3.691 10 0 CHAELP CC[N@@H+](C1CCCCC1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000035219753 172060331 /nfs/dbraw/zinc/06/03/31/172060331.db2.gz ZTLBWBQASYOHHQ-JKSUJKDBSA-N 2 2 252.446 3.691 10 0 CHAELP C[N@H+](C1CCCCC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000035219780 172061241 /nfs/dbraw/zinc/06/12/41/172061241.db2.gz VEVGFBHUMWDYFW-CWRNSKLLSA-N 2 2 266.473 3.793 10 0 CHAELP C[N@@H+](C1CCCCC1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000035219780 172061244 /nfs/dbraw/zinc/06/12/44/172061244.db2.gz VEVGFBHUMWDYFW-CWRNSKLLSA-N 2 2 266.473 3.793 10 0 CHAELP CCCCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000038087699 174099428 /nfs/dbraw/zinc/09/94/28/174099428.db2.gz QALQSKUMIRCYMN-WBVHZDCISA-N 2 2 262.441 3.848 10 0 CHAELP CCCCC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000038087700 174099630 /nfs/dbraw/zinc/09/96/30/174099630.db2.gz QALQSKUMIRCYMN-NVXWUHKLSA-N 2 2 262.441 3.848 10 0 CHAELP CCc1[nH+]c2ccc(Cl)cc2n1CCC[NH+](CC)CC ZINC000040403688 174253678 /nfs/dbraw/zinc/25/36/78/174253678.db2.gz MTOLXKHIYMTGPI-UHFFFAOYSA-N 2 2 293.842 3.984 10 0 CHAELP Cc1ncsc1C[NH2+][C@H](C)c1c(C)cc(C)[nH+]c1C ZINC000071212928 176084962 /nfs/dbraw/zinc/08/49/62/176084962.db2.gz ANPUQWJBRAGGRR-GFCCVEGCSA-N 2 2 275.421 3.623 10 0 CHAELP CCCCc1ccc([C@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000071587065 176214085 /nfs/dbraw/zinc/21/40/85/176214085.db2.gz NUEUHIWRUWGIMM-KRWDZBQOSA-N 2 2 260.425 3.515 10 0 CHAELP CC(C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000070280670 260155612 /nfs/dbraw/zinc/15/56/12/260155612.db2.gz UNYMQOWTUMAZKL-GDBMZVCRSA-N 2 2 280.843 3.721 10 0 CHAELP CC(C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000070280670 260155613 /nfs/dbraw/zinc/15/56/13/260155613.db2.gz UNYMQOWTUMAZKL-GDBMZVCRSA-N 2 2 280.843 3.721 10 0 CHAELP CCc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000221721307 262292611 /nfs/dbraw/zinc/29/26/11/262292611.db2.gz OFTBBFGUTGVSDL-KEYYUXOJSA-N 2 2 272.436 3.525 10 0 CHAELP CCc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000221721307 262292612 /nfs/dbraw/zinc/29/26/12/262292612.db2.gz OFTBBFGUTGVSDL-KEYYUXOJSA-N 2 2 272.436 3.525 10 0 CHAELP c1coc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000116292648 267137052 /nfs/dbraw/zinc/13/70/52/267137052.db2.gz MIBLOUXPVAFBFD-QGZVFWFLSA-N 2 2 293.370 3.802 10 0 CHAELP c1coc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000116292648 267137054 /nfs/dbraw/zinc/13/70/54/267137054.db2.gz MIBLOUXPVAFBFD-QGZVFWFLSA-N 2 2 293.370 3.802 10 0 CHAELP CC[C@@H](C)[C@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050551 327176466 /nfs/dbraw/zinc/17/64/66/327176466.db2.gz QNEVUMBFCPKVIM-KGLIPLIRSA-N 2 2 273.424 3.530 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC000180120917 329211777 /nfs/dbraw/zinc/21/17/77/329211777.db2.gz FAMZFDGCKRLFRK-KRWDZBQOSA-N 2 2 275.440 3.626 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC000180120917 329211779 /nfs/dbraw/zinc/21/17/79/329211779.db2.gz FAMZFDGCKRLFRK-KRWDZBQOSA-N 2 2 275.440 3.626 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCCc2ccccc21 ZINC000178331749 333071131 /nfs/dbraw/zinc/07/11/31/333071131.db2.gz UCSOVEJYWLKGAN-IEBWSBKVSA-N 2 2 295.430 3.734 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCCc2ccccc21 ZINC000178331749 333071132 /nfs/dbraw/zinc/07/11/32/333071132.db2.gz UCSOVEJYWLKGAN-IEBWSBKVSA-N 2 2 295.430 3.734 10 0 CHAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222434296 333193476 /nfs/dbraw/zinc/19/34/76/333193476.db2.gz VEFLYWQVGQVIEI-HZSPNIEDSA-N 2 2 294.405 3.673 10 0 CHAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069381468 333759935 /nfs/dbraw/zinc/75/99/35/333759935.db2.gz VEFLYWQVGQVIEI-MELADBBJSA-N 2 2 294.405 3.673 10 0 CHAELP CC[C@H](C)[N@H+](CC)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052451605 523936489 /nfs/dbraw/zinc/93/64/89/523936489.db2.gz BONCEONOIKEYPL-YOEHRIQHSA-N 2 2 260.425 3.600 10 0 CHAELP CC[C@H](C)[N@@H+](CC)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052451605 523936492 /nfs/dbraw/zinc/93/64/92/523936492.db2.gz BONCEONOIKEYPL-YOEHRIQHSA-N 2 2 260.425 3.600 10 0 CHAELP Cc1cc(C)cc([N@@H+](C)CCCC[NH2+]CC(C)C)c1 ZINC000052544604 524406012 /nfs/dbraw/zinc/40/60/12/524406012.db2.gz OHGNWSYOYHNFLW-UHFFFAOYSA-N 2 2 262.441 3.765 10 0 CHAELP Cc1cc(C)cc([N@H+](C)CCCC[NH2+]CC(C)C)c1 ZINC000052544604 524406020 /nfs/dbraw/zinc/40/60/20/524406020.db2.gz OHGNWSYOYHNFLW-UHFFFAOYSA-N 2 2 262.441 3.765 10 0 CHAELP CCCCn1c2ccccc2[nH+]c1NCC[NH+](CC)CC ZINC000006856768 170250246 /nfs/dbraw/zinc/25/02/46/170250246.db2.gz POHRWQADZBBXEL-UHFFFAOYSA-N 2 2 288.439 3.590 10 0 CHAELP CCc1ccc([C@@H](C[NH3+])[N@H+](C)Cc2ccccc2C)cc1 ZINC000020225700 171088233 /nfs/dbraw/zinc/08/82/33/171088233.db2.gz WZIAQWICSYTKIB-LJQANCHMSA-N 2 2 282.431 3.689 10 0 CHAELP CCc1ccc([C@@H](C[NH3+])[N@@H+](C)Cc2ccccc2C)cc1 ZINC000020225700 171088236 /nfs/dbraw/zinc/08/82/36/171088236.db2.gz WZIAQWICSYTKIB-LJQANCHMSA-N 2 2 282.431 3.689 10 0 CHAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000020225557 171088441 /nfs/dbraw/zinc/08/84/41/171088441.db2.gz SYJFHEGWBSQZBB-QGZVFWFLSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000020225557 171088443 /nfs/dbraw/zinc/08/84/43/171088443.db2.gz SYJFHEGWBSQZBB-QGZVFWFLSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)CC2CCCCC2)cc1 ZINC000020225578 171088597 /nfs/dbraw/zinc/08/85/97/171088597.db2.gz AVSPIMBPIWVNCD-KRWDZBQOSA-N 2 2 260.425 3.507 10 0 CHAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CCCCC2)cc1 ZINC000020225578 171088598 /nfs/dbraw/zinc/08/85/98/171088598.db2.gz AVSPIMBPIWVNCD-KRWDZBQOSA-N 2 2 260.425 3.507 10 0 CHAELP CCCC[NH+](CCCC)[C@@H](C[NH3+])c1ccsc1 ZINC000020484694 171224782 /nfs/dbraw/zinc/22/47/82/171224782.db2.gz OALHRHFFYXCQCY-AWEZNQCLSA-N 2 2 254.443 3.650 10 0 CHAELP CC[C@@H](C)C[C@](CC)(C[NH3+])[NH+]1CCCCCCC1 ZINC000020547509 171244869 /nfs/dbraw/zinc/24/48/69/171244869.db2.gz NIRTYKCJZBTQFD-HZPDHXFCSA-N 2 2 254.462 3.796 10 0 CHAELP CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H]([NH+]2CCCCCC2)C1 ZINC000020558757 171250959 /nfs/dbraw/zinc/25/09/59/171250959.db2.gz AFHUBFDWICPHDG-PMPSAXMXSA-N 2 2 266.473 3.795 10 0 CHAELP CCC(CC)[NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC ZINC000021022446 171290843 /nfs/dbraw/zinc/29/08/43/171290843.db2.gz HIDIRLYARCOODI-KRWDZBQOSA-N 2 2 262.441 3.848 10 0 CHAELP [NH3+]C[C@@H](c1cccc(Oc2ccccc2)c1)[NH+]1CCCC1 ZINC000022222498 171378994 /nfs/dbraw/zinc/37/89/94/171378994.db2.gz BULAYWCURDGQST-SFHVURJKSA-N 2 2 282.387 3.575 10 0 CHAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(Cl)ccc1Cl ZINC000035570550 172266217 /nfs/dbraw/zinc/26/62/17/172266217.db2.gz PCLMGMRUFOBLMV-GFCCVEGCSA-N 2 2 284.190 3.610 10 0 CHAELP CCCC[N@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424811 173199440 /nfs/dbraw/zinc/19/94/40/173199440.db2.gz SLZHYEKWLHUPSZ-ZDUSSCGKSA-N 2 2 275.223 3.725 10 0 CHAELP CCCC[N@@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424811 173199442 /nfs/dbraw/zinc/19/94/42/173199442.db2.gz SLZHYEKWLHUPSZ-ZDUSSCGKSA-N 2 2 275.223 3.725 10 0 CHAELP C[C@H](C[NH2+][C@@H]1CCCCc2ccccc21)[NH+]1CCCCC1 ZINC000038028451 174017347 /nfs/dbraw/zinc/01/73/47/174017347.db2.gz NTAWSZCQDQDCCD-VQIMIIECSA-N 2 2 286.463 3.918 10 0 CHAELP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1cccc(Cl)c1 ZINC000040502212 260285462 /nfs/dbraw/zinc/28/54/62/260285462.db2.gz UYRGJSREFPIZBL-JKSUJKDBSA-N 2 2 280.843 3.865 10 0 CHAELP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1cccc(Cl)c1 ZINC000040502212 260285464 /nfs/dbraw/zinc/28/54/64/260285464.db2.gz UYRGJSREFPIZBL-JKSUJKDBSA-N 2 2 280.843 3.865 10 0 CHAELP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000221721183 262292301 /nfs/dbraw/zinc/29/23/01/262292301.db2.gz OFTBBFGUTGVSDL-JKIFEVAISA-N 2 2 272.436 3.525 10 0 CHAELP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000221721183 262292302 /nfs/dbraw/zinc/29/23/02/262292302.db2.gz OFTBBFGUTGVSDL-JKIFEVAISA-N 2 2 272.436 3.525 10 0 CHAELP CCCNc1nc(Nc2cccc3cc[nH+]cc32)cc[nH+]1 ZINC000157625455 333247383 /nfs/dbraw/zinc/24/73/83/333247383.db2.gz CEYPZEFLQMQHJJ-UHFFFAOYSA-N 2 2 279.347 3.590 10 0 CHAELP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000132872933 334008428 /nfs/dbraw/zinc/00/84/28/334008428.db2.gz NLUOPVQNJGHPIG-DLBZAZTESA-N 2 2 295.430 3.885 10 0 CHAELP Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000132872933 334008430 /nfs/dbraw/zinc/00/84/30/334008430.db2.gz NLUOPVQNJGHPIG-DLBZAZTESA-N 2 2 295.430 3.885 10 0 CHAELP C[C@@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)C1CCCC1 ZINC000090050325 334356289 /nfs/dbraw/zinc/35/62/89/334356289.db2.gz FNXJGUMROIQAEZ-CQSZACIVSA-N 2 2 285.435 3.674 10 0 CHAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[NH+]1CCC(C)(C)CC1 ZINC000061819717 520770362 /nfs/dbraw/zinc/77/03/62/520770362.db2.gz SXXJSYLVEDWYKN-HUUCEWRRSA-N 2 2 254.462 3.665 10 0 CHAELP CC[C@H](C[NH2+]C(C)C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000052507964 522189271 /nfs/dbraw/zinc/18/92/71/522189271.db2.gz GCUBNDCJRQHFQM-OAHLLOKOSA-N 2 2 268.832 3.548 10 0 CHAELP CC[C@H](C[NH2+]C(C)C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052507964 522189282 /nfs/dbraw/zinc/18/92/82/522189282.db2.gz GCUBNDCJRQHFQM-OAHLLOKOSA-N 2 2 268.832 3.548 10 0 CHAELP CC(C)[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)[C@@H](C(C)C)C[NH2+]1 ZINC000062668251 519804598 /nfs/dbraw/zinc/80/45/98/519804598.db2.gz VDQIOPDCNGLGQG-RYQLBKOJSA-N 2 2 274.452 3.702 10 0 CHAELP CC(C)[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)[C@@H](C(C)C)C[NH2+]1 ZINC000062668251 519804599 /nfs/dbraw/zinc/80/45/99/519804599.db2.gz VDQIOPDCNGLGQG-RYQLBKOJSA-N 2 2 274.452 3.702 10 0 CHAELP CCCC[N@H+](C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]CC ZINC000054554771 520433753 /nfs/dbraw/zinc/43/37/53/520433753.db2.gz QCYJLIWAVRXMSW-OWCLPIDISA-N 2 2 254.462 3.521 10 0 CHAELP CCCC[N@@H+](C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]CC ZINC000054554771 520433762 /nfs/dbraw/zinc/43/37/62/520433762.db2.gz QCYJLIWAVRXMSW-OWCLPIDISA-N 2 2 254.462 3.521 10 0 CHAELP CC[C@@H](C[NH2+]CC(C)C)[N@H+](Cc1cccs1)C(C)C ZINC000052544941 522548330 /nfs/dbraw/zinc/54/83/30/522548330.db2.gz IATKFLMAULEISF-HNNXBMFYSA-N 2 2 282.497 3.983 10 0 CHAELP CC[C@@H](C[NH2+]CC(C)C)[N@@H+](Cc1cccs1)C(C)C ZINC000052544941 522548338 /nfs/dbraw/zinc/54/83/38/522548338.db2.gz IATKFLMAULEISF-HNNXBMFYSA-N 2 2 282.497 3.983 10 0 CHAELP Cc1ccc([N@@H+](C)CCCCC[NH2+]C(C)C)c(C)c1 ZINC000052544393 524886295 /nfs/dbraw/zinc/88/62/95/524886295.db2.gz IDLOMKJTVRGQTR-UHFFFAOYSA-N 2 2 262.441 3.908 10 0 CHAELP Cc1ccc([N@H+](C)CCCCC[NH2+]C(C)C)c(C)c1 ZINC000052544393 524886307 /nfs/dbraw/zinc/88/63/07/524886307.db2.gz IDLOMKJTVRGQTR-UHFFFAOYSA-N 2 2 262.441 3.908 10 0 CHAELP Cc1ccccc1C[N@H+]1C[C@@H](C(C)C)[NH2+]C[C@@H]1CC(C)C ZINC000062705154 525146412 /nfs/dbraw/zinc/14/64/12/525146412.db2.gz YTSTVFGJGYGYEJ-OALUTQOASA-N 2 2 288.479 3.840 10 0 CHAELP Cc1ccccc1C[N@@H+]1C[C@@H](C(C)C)[NH2+]C[C@@H]1CC(C)C ZINC000062705154 525146421 /nfs/dbraw/zinc/14/64/21/525146421.db2.gz YTSTVFGJGYGYEJ-OALUTQOASA-N 2 2 288.479 3.840 10 0 CHAELP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000054764182 525428007 /nfs/dbraw/zinc/42/80/07/525428007.db2.gz MVZIVCJVBNJSLY-LBPRGKRZSA-N 2 2 257.381 3.558 10 0 CHAELP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000054764184 525511789 /nfs/dbraw/zinc/51/17/89/525511789.db2.gz MVZIVCJVBNJSLY-GFCCVEGCSA-N 2 2 257.381 3.558 10 0 CHAELP CCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000057353486 567894818 /nfs/dbraw/zinc/89/48/18/567894818.db2.gz IPYSMMQHJQWOJY-KRWDZBQOSA-N 2 2 299.462 3.625 10 0 CHAELP CCC[NH2+]CC[NH+](C1CCCCC1)C1CCCCC1 ZINC000110447833 186296977 /nfs/dbraw/zinc/29/69/77/186296977.db2.gz YNQIQGAMCZMTFZ-UHFFFAOYSA-N 2 2 266.473 3.953 10 0 CHAELP C[N@H+](CC1CCCCC1)[C@H](C[NH3+])c1ccccc1Cl ZINC000020225935 171089671 /nfs/dbraw/zinc/08/96/71/171089671.db2.gz NMXLDBQBXIXWCS-MRXNPFEDSA-N 2 2 280.843 3.852 10 0 CHAELP C[N@@H+](CC1CCCCC1)[C@H](C[NH3+])c1ccccc1Cl ZINC000020225935 171089675 /nfs/dbraw/zinc/08/96/75/171089675.db2.gz NMXLDBQBXIXWCS-MRXNPFEDSA-N 2 2 280.843 3.852 10 0 CHAELP CCCC[NH+](CCCC)[C@]1(C[NH3+])CCC[C@H](C)C1 ZINC000020362694 171161950 /nfs/dbraw/zinc/16/19/50/171161950.db2.gz QTKWKJAEBOXCAF-JKSUJKDBSA-N 2 2 254.462 3.796 10 0 CHAELP CCCC[NH+](CCCC)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000020484731 171224428 /nfs/dbraw/zinc/22/44/28/171224428.db2.gz RNGMUFCXIVQHGC-INIZCTEOSA-N 2 2 266.404 3.728 10 0 CHAELP CCCC[NH+](CCCC)[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000020484881 171224801 /nfs/dbraw/zinc/22/48/01/171224801.db2.gz MCYQKOPHGAZTHE-JKSUJKDBSA-N 2 2 254.462 3.796 10 0 CHAELP CCCC[N@H+](CC)[C@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000020545039 171243220 /nfs/dbraw/zinc/24/32/20/171243220.db2.gz AJPSNXOKNIWIHN-QGZVFWFLSA-N 2 2 262.441 3.932 10 0 CHAELP CCCC[N@@H+](CC)[C@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000020545039 171243221 /nfs/dbraw/zinc/24/32/21/171243221.db2.gz AJPSNXOKNIWIHN-QGZVFWFLSA-N 2 2 262.441 3.932 10 0 CHAELP CCC(CC)[NH2+]C[C@H](c1ccccc1)[NH+](CC)CC ZINC000021022439 171290973 /nfs/dbraw/zinc/29/09/73/171290973.db2.gz HIDIRLYARCOODI-QGZVFWFLSA-N 2 2 262.441 3.848 10 0 CHAELP C[C@@H]1CCCC[N@@H+]1C1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000021504386 171307236 /nfs/dbraw/zinc/30/72/36/171307236.db2.gz MGQRSWMXIBKSOI-HPUBIQBYSA-N 2 2 266.473 3.795 10 0 CHAELP C[C@@H]1CCCC[N@H+]1C1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000021504386 171307237 /nfs/dbraw/zinc/30/72/37/171307237.db2.gz MGQRSWMXIBKSOI-HPUBIQBYSA-N 2 2 266.473 3.795 10 0 CHAELP CCC[NH+](CCC)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000021814646 171331689 /nfs/dbraw/zinc/33/16/89/171331689.db2.gz MZCIELJBAXKSPV-OKZBNKHCSA-N 2 2 274.452 3.772 10 0 CHAELP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](CC)C2CCCCC2)C1 ZINC000035219755 172060556 /nfs/dbraw/zinc/06/05/56/172060556.db2.gz SGVWFLBWJIYHTA-VNQPRFMTSA-N 2 2 252.446 3.547 10 0 CHAELP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](CC)C2CCCCC2)C1 ZINC000035219755 172060557 /nfs/dbraw/zinc/06/05/57/172060557.db2.gz SGVWFLBWJIYHTA-VNQPRFMTSA-N 2 2 252.446 3.547 10 0 CHAELP C[C@@H](C[NH2+][C@@H]1CCCCc2ccccc21)[NH+]1CCCCC1 ZINC000038028450 174017513 /nfs/dbraw/zinc/01/75/13/174017513.db2.gz NTAWSZCQDQDCCD-QFBILLFUSA-N 2 2 286.463 3.918 10 0 CHAELP C[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1F)C[NH+]1CCCCC1 ZINC000038041672 174042672 /nfs/dbraw/zinc/04/26/72/174042672.db2.gz WKWZOGKKHDLSRQ-KBPBESRZSA-N 2 2 296.405 3.737 10 0 CHAELP C[C@H](C[NH2+][C@@H](C)c1c(F)cccc1F)C[NH+]1CCCCC1 ZINC000038041673 174043211 /nfs/dbraw/zinc/04/32/11/174043211.db2.gz WKWZOGKKHDLSRQ-KGLIPLIRSA-N 2 2 296.405 3.737 10 0 CHAELP C[C@@H]1CCC[C@H](C)[N@H+]1[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000039789085 174173393 /nfs/dbraw/zinc/17/33/93/174173393.db2.gz MVJRDXHZOPQSGC-TYNCELHUSA-N 2 2 266.816 3.603 10 0 CHAELP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000039789085 174173394 /nfs/dbraw/zinc/17/33/94/174173394.db2.gz MVJRDXHZOPQSGC-TYNCELHUSA-N 2 2 266.816 3.603 10 0 CHAELP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC000040502236 260285160 /nfs/dbraw/zinc/28/51/60/260285160.db2.gz HAHHIUWJYSAUQH-HZPDHXFCSA-N 2 2 280.843 3.865 10 0 CHAELP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000040502236 260285161 /nfs/dbraw/zinc/28/51/61/260285161.db2.gz HAHHIUWJYSAUQH-HZPDHXFCSA-N 2 2 280.843 3.865 10 0 CHAELP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1cccc(C)c1 ZINC000311338666 262237700 /nfs/dbraw/zinc/23/77/00/262237700.db2.gz JQQALIBXSJHDME-IRXDYDNUSA-N 2 2 260.425 3.520 10 0 CHAELP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1cccc(C)c1 ZINC000311338666 262237701 /nfs/dbraw/zinc/23/77/01/262237701.db2.gz JQQALIBXSJHDME-IRXDYDNUSA-N 2 2 260.425 3.520 10 0 CHAELP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171640851 329075216 /nfs/dbraw/zinc/07/52/16/329075216.db2.gz QJMLLXXZYNPHJG-HUUCEWRRSA-N 2 2 299.393 3.716 10 0 CHAELP CCC[N@H+](Cc1ccc(C(C)(C)C)s1)[C@H]1CC[NH2+]C1 ZINC000166172473 331306564 /nfs/dbraw/zinc/30/65/64/331306564.db2.gz RECOWKXUCGBVEY-ZDUSSCGKSA-N 2 2 280.481 3.620 10 0 CHAELP CCC[N@@H+](Cc1ccc(C(C)(C)C)s1)[C@H]1CC[NH2+]C1 ZINC000166172473 331306565 /nfs/dbraw/zinc/30/65/65/331306565.db2.gz RECOWKXUCGBVEY-ZDUSSCGKSA-N 2 2 280.481 3.620 10 0 CHAELP CCCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000219161727 333143162 /nfs/dbraw/zinc/14/31/62/333143162.db2.gz FHFJLCPEXSFELI-SJORKVTESA-N 2 2 260.425 3.602 10 0 CHAELP CCCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000219161727 333143164 /nfs/dbraw/zinc/14/31/64/333143164.db2.gz FHFJLCPEXSFELI-SJORKVTESA-N 2 2 260.425 3.602 10 0 CHAELP CC/C=C/CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911918 333200247 /nfs/dbraw/zinc/20/02/47/333200247.db2.gz WPMSSLWFRVPAON-MBVDDHJVSA-N 2 2 269.392 3.879 10 0 CHAELP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)C[N@@H+]1[C@@H](C)c1ccccc1 ZINC000062668253 519804785 /nfs/dbraw/zinc/80/47/85/519804785.db2.gz VDQIOPDCNGLGQG-JQHSSLGASA-N 2 2 274.452 3.702 10 0 CHAELP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)C[N@H+]1[C@@H](C)c1ccccc1 ZINC000062668253 519804786 /nfs/dbraw/zinc/80/47/86/519804786.db2.gz VDQIOPDCNGLGQG-JQHSSLGASA-N 2 2 274.452 3.702 10 0 CHAELP CC(C)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151673400 519813218 /nfs/dbraw/zinc/81/32/18/519813218.db2.gz HLBZYAONLODOGM-KBPBESRZSA-N 2 2 257.381 3.567 10 0 CHAELP CCCC1CC[NH+]([C@H](c2ccsc2)[C@H](C)[NH3+])CC1 ZINC000050893033 519903104 /nfs/dbraw/zinc/90/31/04/519903104.db2.gz JFVQVPDFYQRLSO-WFASDCNBSA-N 2 2 266.454 3.649 10 0 CHAELP CC[C@H](C)C[C@@](CC)(C[NH3+])[NH+]1Cc2ccccc2C1 ZINC000050910690 523899109 /nfs/dbraw/zinc/89/91/09/523899109.db2.gz SPTWBYOMVXNMBS-YOEHRIQHSA-N 2 2 260.425 3.546 10 0 CHAELP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)c(C)s1 ZINC000049197288 525472213 /nfs/dbraw/zinc/47/22/13/525472213.db2.gz PYRVHEOIWOMMNP-DOMZBBRYSA-N 2 2 268.470 3.602 10 0 CHAELP Cc1cc([C@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)c(C)s1 ZINC000049197291 525525050 /nfs/dbraw/zinc/52/50/50/525525050.db2.gz PYRVHEOIWOMMNP-WFASDCNBSA-N 2 2 268.470 3.602 10 0 CHAELP CC(C)n1cc(C[NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000057353258 567895051 /nfs/dbraw/zinc/89/50/51/567895051.db2.gz TXCCXHSOGUGDAT-UHFFFAOYSA-N 2 2 296.418 3.599 10 0 CHAELP CCCC[NH+](CCCC)[C@@]1(C[NH3+])CCCC[C@H]1C ZINC000020484887 171224244 /nfs/dbraw/zinc/22/42/44/171224244.db2.gz MCYQKOPHGAZTHE-HZPDHXFCSA-N 2 2 254.462 3.796 10 0 CHAELP CCCC[N@H+](CC)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000021012605 171288060 /nfs/dbraw/zinc/28/80/60/171288060.db2.gz XVMZEEYSJHAIJP-OKZBNKHCSA-N 2 2 274.452 3.772 10 0 CHAELP CCCC[N@@H+](CC)[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000021012605 171288061 /nfs/dbraw/zinc/28/80/61/171288061.db2.gz XVMZEEYSJHAIJP-OKZBNKHCSA-N 2 2 274.452 3.772 10 0 CHAELP CCCCC[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000021013828 171288976 /nfs/dbraw/zinc/28/89/76/171288976.db2.gz KRILBXBETHCALI-UHFFFAOYSA-N 2 2 266.473 3.955 10 0 CHAELP C[C@H]1C[C@H](C)C[NH+]([C@@H](C[NH3+])c2ccc(C(C)(C)C)cc2)C1 ZINC000021517887 171314108 /nfs/dbraw/zinc/31/41/08/171314108.db2.gz RWOPBQVSYOELFC-MPGHIAIKSA-N 2 2 288.479 3.962 10 0 CHAELP C[C@H]1CC(C)(C)C[C@@](C[NH3+])([N@H+](C)C2CCCCC2)C1 ZINC000035176642 172029586 /nfs/dbraw/zinc/02/95/86/172029586.db2.gz VGXPGIUBORNBEI-YOEHRIQHSA-N 2 2 266.473 3.795 10 0 CHAELP C[C@H]1CC(C)(C)C[C@@](C[NH3+])([N@@H+](C)C2CCCCC2)C1 ZINC000035176642 172029589 /nfs/dbraw/zinc/02/95/89/172029589.db2.gz VGXPGIUBORNBEI-YOEHRIQHSA-N 2 2 266.473 3.795 10 0 CHAELP CCCC[NH+](CCCC)c1ccc(C[C@H](C)[NH3+])cc1 ZINC000044461534 175177641 /nfs/dbraw/zinc/17/76/41/175177641.db2.gz IJWXITLYBIYDII-HNNXBMFYSA-N 2 2 262.441 3.983 10 0 CHAELP CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000300415769 261199504 /nfs/dbraw/zinc/19/95/04/261199504.db2.gz YWUNTXVGAQDZGF-UNEWFSDZSA-N 2 2 269.392 3.712 10 0 CHAELP C(=C/[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1)\c1cccs1 ZINC000375179871 329001610 /nfs/dbraw/zinc/00/16/10/329001610.db2.gz YQXZBPDMABRMBR-LFAOLKIESA-N 2 2 287.432 3.513 10 0 CHAELP C(=C/[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1)\c1cccs1 ZINC000375179871 329001612 /nfs/dbraw/zinc/00/16/12/329001612.db2.gz YQXZBPDMABRMBR-LFAOLKIESA-N 2 2 287.432 3.513 10 0 CHAELP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000045094450 330338543 /nfs/dbraw/zinc/33/85/43/330338543.db2.gz FLXPZJAMKZECTG-CVEARBPZSA-N 2 2 277.456 3.858 10 0 CHAELP CCCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000219161505 333143195 /nfs/dbraw/zinc/14/31/95/333143195.db2.gz FHFJLCPEXSFELI-DLBZAZTESA-N 2 2 260.425 3.602 10 0 CHAELP CCCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000219161505 333143196 /nfs/dbraw/zinc/14/31/96/333143196.db2.gz FHFJLCPEXSFELI-DLBZAZTESA-N 2 2 260.425 3.602 10 0 CHAELP C[C@@H]([NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000381095402 336049846 /nfs/dbraw/zinc/04/98/46/336049846.db2.gz YCHPEDQVSZUFRS-DLBZAZTESA-N 2 2 282.431 3.858 10 0 CHAELP C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000381095402 336049847 /nfs/dbraw/zinc/04/98/47/336049847.db2.gz YCHPEDQVSZUFRS-DLBZAZTESA-N 2 2 282.431 3.858 10 0 CHAELP CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062671513 519270270 /nfs/dbraw/zinc/27/02/70/519270270.db2.gz BXEJZZURRDLBAF-MRXNPFEDSA-N 2 2 280.843 3.550 10 0 CHAELP CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062671513 519270279 /nfs/dbraw/zinc/27/02/79/519270279.db2.gz BXEJZZURRDLBAF-MRXNPFEDSA-N 2 2 280.843 3.550 10 0 CHAELP CCC[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1Cl ZINC000052372027 519918758 /nfs/dbraw/zinc/91/87/58/519918758.db2.gz XLTXVSHVOGGNQP-CYBMUJFWSA-N 2 2 268.832 3.550 10 0 CHAELP CCC[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1Cl ZINC000052372027 519918759 /nfs/dbraw/zinc/91/87/59/519918759.db2.gz XLTXVSHVOGGNQP-CYBMUJFWSA-N 2 2 268.832 3.550 10 0 CHAELP CCC[NH2+][C@H]1CC[N@@H+]([C@H](CCC)c2cccs2)C1 ZINC000049545608 520095822 /nfs/dbraw/zinc/09/58/22/520095822.db2.gz CYAXWSWUTMWOFP-UONOGXRCSA-N 2 2 266.454 3.663 10 0 CHAELP CCC[NH2+][C@H]1CC[N@H+]([C@H](CCC)c2cccs2)C1 ZINC000049545608 520095833 /nfs/dbraw/zinc/09/58/33/520095833.db2.gz CYAXWSWUTMWOFP-UONOGXRCSA-N 2 2 266.454 3.663 10 0 CHAELP CCCC[N@H+]([C@H](C[NH2+]CC)c1ccccc1)C1CC1 ZINC000052512700 520551887 /nfs/dbraw/zinc/55/18/87/520551887.db2.gz QFJUADOLNDFIIE-QGZVFWFLSA-N 2 2 260.425 3.602 10 0 CHAELP CCCC[N@@H+]([C@H](C[NH2+]CC)c1ccccc1)C1CC1 ZINC000052512700 520551903 /nfs/dbraw/zinc/55/19/03/520551903.db2.gz QFJUADOLNDFIIE-QGZVFWFLSA-N 2 2 260.425 3.602 10 0 CHAELP CC(C)C1CCC([NH2+][C@H](C)C[NH+]2CCCCC2)CC1 ZINC000054555907 519568067 /nfs/dbraw/zinc/56/80/67/519568067.db2.gz UOQVEWGHTYBWMB-KLAILNCOSA-N 2 2 266.473 3.665 10 0 CHAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2sccc2[C@@H]1C ZINC000052505207 519722768 /nfs/dbraw/zinc/72/27/68/519722768.db2.gz XRGOVKGVCHJRKJ-ZFWWWQNUSA-N 2 2 280.481 3.690 10 0 CHAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2sccc2[C@@H]1C ZINC000052505207 519722770 /nfs/dbraw/zinc/72/27/70/519722770.db2.gz XRGOVKGVCHJRKJ-ZFWWWQNUSA-N 2 2 280.481 3.690 10 0 CHAELP CCCC[N@H+](C)[C@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000052418089 520433657 /nfs/dbraw/zinc/43/36/57/520433657.db2.gz QLRODXRQTUVDEJ-QGZVFWFLSA-N 2 2 262.441 3.705 10 0 CHAELP CCCC[N@@H+](C)[C@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000052418089 520433668 /nfs/dbraw/zinc/43/36/68/520433668.db2.gz QLRODXRQTUVDEJ-QGZVFWFLSA-N 2 2 262.441 3.705 10 0 CHAELP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000096747941 185111306 /nfs/dbraw/zinc/11/13/06/185111306.db2.gz GRBOJZGPSPHANX-ARFHVFGLSA-N 2 2 256.478 3.767 10 0 CHAELP C1C[NH2+]CC[N@@H+](C2CCCCCCCCCCC2)C1 ZINC000110418036 186295838 /nfs/dbraw/zinc/29/58/38/186295838.db2.gz COQQWRMIYNIDAU-UHFFFAOYSA-N 2 2 266.473 3.955 10 0 CHAELP C1C[NH2+]CC[N@H+](C2CCCCCCCCCCC2)C1 ZINC000110418036 186295839 /nfs/dbraw/zinc/29/58/39/186295839.db2.gz COQQWRMIYNIDAU-UHFFFAOYSA-N 2 2 266.473 3.955 10 0 CHAELP Cc1ccccc1[C@@H](C[NH3+])[N@H+](C)Cc1cccc(Cl)c1 ZINC000020225445 171088495 /nfs/dbraw/zinc/08/84/95/171088495.db2.gz WRLTUAAVCUWMPQ-QGZVFWFLSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1ccccc1[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(Cl)c1 ZINC000020225445 171088497 /nfs/dbraw/zinc/08/84/97/171088497.db2.gz WRLTUAAVCUWMPQ-QGZVFWFLSA-N 2 2 288.822 3.780 10 0 CHAELP CC[C@H](C)C[C@@](CC)(C[NH3+])[NH+]1CCCCCCC1 ZINC000020547508 171245057 /nfs/dbraw/zinc/24/50/57/171245057.db2.gz NIRTYKCJZBTQFD-HOTGVXAUSA-N 2 2 254.462 3.796 10 0 CHAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000020557939 171250818 /nfs/dbraw/zinc/25/08/18/171250818.db2.gz CZXJRXGJEZYALA-HRCADAONSA-N 2 2 266.473 3.665 10 0 CHAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000020557939 171250819 /nfs/dbraw/zinc/25/08/19/171250819.db2.gz CZXJRXGJEZYALA-HRCADAONSA-N 2 2 266.473 3.665 10 0 CHAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000020565822 171254504 /nfs/dbraw/zinc/25/45/04/171254504.db2.gz YVBZYHNWXIJEJF-CTWPCTMYSA-N 2 2 286.463 3.787 10 0 CHAELP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000020565822 171254506 /nfs/dbraw/zinc/25/45/06/171254506.db2.gz YVBZYHNWXIJEJF-CTWPCTMYSA-N 2 2 286.463 3.787 10 0 CHAELP C[C@H]1C[C@H](C)C[NH+](C2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000021012010 171287659 /nfs/dbraw/zinc/28/76/59/171287659.db2.gz ASXQZYRZAXXXJH-WMTDPASSSA-N 2 2 280.500 3.898 10 0 CHAELP CCC[NH+](CCC)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000021500211 171305056 /nfs/dbraw/zinc/30/50/56/171305056.db2.gz VWLOWLWGJBFENC-QLFBSQMISA-N 2 2 254.462 3.651 10 0 CHAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021507098 171308500 /nfs/dbraw/zinc/30/85/00/171308500.db2.gz WLNXLSZAFWAAEF-YOEHRIQHSA-N 2 2 274.452 3.858 10 0 CHAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021507098 171308501 /nfs/dbraw/zinc/30/85/01/171308501.db2.gz WLNXLSZAFWAAEF-YOEHRIQHSA-N 2 2 274.452 3.858 10 0 CHAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021510990 171310049 /nfs/dbraw/zinc/31/00/49/171310049.db2.gz VQADWPQNARJUMQ-CSDRPOHMSA-N 2 2 290.495 3.665 10 0 CHAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021510990 171310051 /nfs/dbraw/zinc/31/00/51/171310051.db2.gz VQADWPQNARJUMQ-CSDRPOHMSA-N 2 2 290.495 3.665 10 0 CHAELP CC[N@H+]([C@H](C[NH3+])c1cccc(Cl)c1)C1CCCCC1 ZINC000021819080 171333720 /nfs/dbraw/zinc/33/37/20/171333720.db2.gz UKFBGJBFTXBYPC-MRXNPFEDSA-N 2 2 280.843 3.994 10 0 CHAELP CC[N@@H+]([C@H](C[NH3+])c1cccc(Cl)c1)C1CCCCC1 ZINC000021819080 171333721 /nfs/dbraw/zinc/33/37/21/171333721.db2.gz UKFBGJBFTXBYPC-MRXNPFEDSA-N 2 2 280.843 3.994 10 0 CHAELP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@H+](C)C1CCCCC1 ZINC000035176673 172029001 /nfs/dbraw/zinc/02/90/01/172029001.db2.gz SLMUWJJFZOUCLE-HOCLYGCPSA-N 2 2 254.462 3.795 10 0 CHAELP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@@H+](C)C1CCCCC1 ZINC000035176673 172029004 /nfs/dbraw/zinc/02/90/04/172029004.db2.gz SLMUWJJFZOUCLE-HOCLYGCPSA-N 2 2 254.462 3.795 10 0 CHAELP CC[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc(C)c(C)c1 ZINC000037180042 173012797 /nfs/dbraw/zinc/01/27/97/173012797.db2.gz VBBBHXLRNBNTOG-IRXDYDNUSA-N 2 2 260.425 3.568 10 0 CHAELP CC[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc(C)c(C)c1 ZINC000037180042 173012800 /nfs/dbraw/zinc/01/28/00/173012800.db2.gz VBBBHXLRNBNTOG-IRXDYDNUSA-N 2 2 260.425 3.568 10 0 CHAELP CC(C)c1[nH+]ccn1[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000071137761 176036497 /nfs/dbraw/zinc/03/64/97/176036497.db2.gz HLMXEZUKQZHUDL-ZDUSSCGKSA-N 2 2 251.418 3.592 10 0 CHAELP Cc1ncsc1C[NH2+][C@@H](C)c1c(C)cc(C)[nH+]c1C ZINC000071212929 176085079 /nfs/dbraw/zinc/08/50/79/176085079.db2.gz ANPUQWJBRAGGRR-LBPRGKRZSA-N 2 2 275.421 3.623 10 0 CHAELP Cc1ccc(C)c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171645997 335073197 /nfs/dbraw/zinc/07/31/97/335073197.db2.gz MCSZQQNTNGTOJK-QGZVFWFLSA-N 2 2 295.430 3.632 10 0 CHAELP Cc1ccc(C)c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171645997 335073199 /nfs/dbraw/zinc/07/31/99/335073199.db2.gz MCSZQQNTNGTOJK-QGZVFWFLSA-N 2 2 295.430 3.632 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCc1cccc(C)c1 ZINC000181136639 329232782 /nfs/dbraw/zinc/23/27/82/329232782.db2.gz FJSHSGPKNCAQEL-LJQANCHMSA-N 2 2 297.446 3.597 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCc1cccc(C)c1 ZINC000181136639 329232783 /nfs/dbraw/zinc/23/27/83/329232783.db2.gz FJSHSGPKNCAQEL-LJQANCHMSA-N 2 2 297.446 3.597 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCc1cccc(C)c1 ZINC000181136660 329232876 /nfs/dbraw/zinc/23/28/76/329232876.db2.gz FJSHSGPKNCAQEL-IBGZPJMESA-N 2 2 297.446 3.597 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCc1cccc(C)c1 ZINC000181136660 329232877 /nfs/dbraw/zinc/23/28/77/329232877.db2.gz FJSHSGPKNCAQEL-IBGZPJMESA-N 2 2 297.446 3.597 10 0 CHAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000396645158 329694833 /nfs/dbraw/zinc/69/48/33/329694833.db2.gz OFNPFFFTOAUTGV-ZLKJLUDKSA-N 2 2 296.867 3.607 10 0 CHAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000250228596 333303620 /nfs/dbraw/zinc/30/36/20/333303620.db2.gz FUXJYNSWTXNADB-WBVHZDCISA-N 2 2 290.451 3.609 10 0 CHAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000250228596 333303622 /nfs/dbraw/zinc/30/36/22/333303622.db2.gz FUXJYNSWTXNADB-WBVHZDCISA-N 2 2 290.451 3.609 10 0 CHAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000233491814 333352917 /nfs/dbraw/zinc/35/29/17/333352917.db2.gz XVJKJUKVPIPXKD-QZTJIDSGSA-N 2 2 274.452 3.500 10 0 CHAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000233491814 333352918 /nfs/dbraw/zinc/35/29/18/333352918.db2.gz XVJKJUKVPIPXKD-QZTJIDSGSA-N 2 2 274.452 3.500 10 0 CHAELP C[C@@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246987454 334273305 /nfs/dbraw/zinc/27/33/05/334273305.db2.gz FVNUEDUDGRJIID-IRXDYDNUSA-N 2 2 295.430 3.619 10 0 CHAELP C[C@@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246987454 334273307 /nfs/dbraw/zinc/27/33/07/334273307.db2.gz FVNUEDUDGRJIID-IRXDYDNUSA-N 2 2 295.430 3.619 10 0 CHAELP Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1Cl ZINC000194642081 336035152 /nfs/dbraw/zinc/03/51/52/336035152.db2.gz KLJFDCJFTPPJPW-HNNXBMFYSA-N 2 2 289.810 3.510 10 0 CHAELP Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1Cl ZINC000194642081 336035154 /nfs/dbraw/zinc/03/51/54/336035154.db2.gz KLJFDCJFTPPJPW-HNNXBMFYSA-N 2 2 289.810 3.510 10 0 CHAELP CCC[NH2+]C[C@@H](CC)[N@H+](Cc1cccs1)C(C)C ZINC000052544933 519921409 /nfs/dbraw/zinc/92/14/09/519921409.db2.gz OJASJWFHLGWYSL-CQSZACIVSA-N 2 2 268.470 3.737 10 0 CHAELP CCC[NH2+]C[C@@H](CC)[N@@H+](Cc1cccs1)C(C)C ZINC000052544933 519921412 /nfs/dbraw/zinc/92/14/12/519921412.db2.gz OJASJWFHLGWYSL-CQSZACIVSA-N 2 2 268.470 3.737 10 0 CHAELP CC[NH2+]C[C@@H](C(C)C)[N@H+](C)C1CCC(CC)CC1 ZINC000052345509 519930416 /nfs/dbraw/zinc/93/04/16/519930416.db2.gz KAGMGHLNGXQMJO-GPANFISMSA-N 2 2 254.462 3.521 10 0 CHAELP CC[NH2+]C[C@@H](C(C)C)[N@@H+](C)C1CCC(CC)CC1 ZINC000052345509 519930421 /nfs/dbraw/zinc/93/04/21/519930421.db2.gz KAGMGHLNGXQMJO-GPANFISMSA-N 2 2 254.462 3.521 10 0 CHAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@H+](C)Cc1ccccc1C ZINC000052547039 522543709 /nfs/dbraw/zinc/54/37/09/522543709.db2.gz DDVNGPLLVRQHPX-INIZCTEOSA-N 2 2 262.441 3.594 10 0 CHAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@@H+](C)Cc1ccccc1C ZINC000052547039 522543716 /nfs/dbraw/zinc/54/37/16/522543716.db2.gz DDVNGPLLVRQHPX-INIZCTEOSA-N 2 2 262.441 3.594 10 0 CHAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000049195590 519814822 /nfs/dbraw/zinc/81/48/22/519814822.db2.gz VYIGZKOPCWLEHD-WFASDCNBSA-N 2 2 268.832 3.577 10 0 CHAELP C[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1n1cc[nH+]c1C(C)C ZINC000054555945 522505787 /nfs/dbraw/zinc/50/57/87/522505787.db2.gz QABPBWQLSWTQDP-KKUMJFAQSA-N 2 2 263.429 3.592 10 0 CHAELP C[N@H+](CC(C)(C)C)[C@@H](C[NH3+])c1csc2ccccc21 ZINC000054464542 522546275 /nfs/dbraw/zinc/54/62/75/522546275.db2.gz UWYFCUYVLHJUQC-AWEZNQCLSA-N 2 2 276.449 3.879 10 0 CHAELP C[N@@H+](CC(C)(C)C)[C@@H](C[NH3+])c1csc2ccccc21 ZINC000054464542 522546282 /nfs/dbraw/zinc/54/62/82/522546282.db2.gz UWYFCUYVLHJUQC-AWEZNQCLSA-N 2 2 276.449 3.879 10 0 CHAELP C[C@H]([NH3+])[C@H](c1ccccc1Cl)[NH+]1CCC(C)(C)CC1 ZINC000061818391 524854109 /nfs/dbraw/zinc/85/41/09/524854109.db2.gz PEXMZMCYUZVCQE-SWLSCSKDSA-N 2 2 280.843 3.850 10 0 CHAELP C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000156721243 525617381 /nfs/dbraw/zinc/61/73/81/525617381.db2.gz SHHPBHCSTPTKMG-LSDHHAIUSA-N 2 2 292.386 3.679 10 0 CHAELP CCCCC[NH2+]C[C@@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000104016230 185883236 /nfs/dbraw/zinc/88/32/36/185883236.db2.gz CWFBCZWDTLXEQA-OAHLLOKOSA-N 2 2 268.489 3.913 10 0 CHAELP CCOc1cccc([C@H](C[NH3+])[N@H+](C)CC2CCCCC2)c1 ZINC000020226213 171089332 /nfs/dbraw/zinc/08/93/32/171089332.db2.gz MSZYSVGXDDDTSC-SFHVURJKSA-N 2 2 290.451 3.597 10 0 CHAELP CCOc1cccc([C@H](C[NH3+])[N@@H+](C)CC2CCCCC2)c1 ZINC000020226213 171089334 /nfs/dbraw/zinc/08/93/34/171089334.db2.gz MSZYSVGXDDDTSC-SFHVURJKSA-N 2 2 290.451 3.597 10 0 CHAELP Cc1cccc(C[N@@H+](C)[C@@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000020226000 171089943 /nfs/dbraw/zinc/08/99/43/171089943.db2.gz ZIHKXNKIHJPHPU-KRWDZBQOSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1cccc(C[N@H+](C)[C@@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000020226000 171089945 /nfs/dbraw/zinc/08/99/45/171089945.db2.gz ZIHKXNKIHJPHPU-KRWDZBQOSA-N 2 2 288.822 3.780 10 0 CHAELP CCCC[NH+](CCCC)[C@H](C[NH3+])c1cccc(OC)c1 ZINC000020484764 171224156 /nfs/dbraw/zinc/22/41/56/171224156.db2.gz UJPHUTBRHZFWFI-QGZVFWFLSA-N 2 2 278.440 3.597 10 0 CHAELP CCCC[NH+](CCCC)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000020485395 171225403 /nfs/dbraw/zinc/22/54/03/171225403.db2.gz XIJCNBLZYZISPU-HOTGVXAUSA-N 2 2 254.462 3.939 10 0 CHAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000020565593 171254109 /nfs/dbraw/zinc/25/41/09/171254109.db2.gz QLLZSLKRNNSQSC-ROUUACIJSA-N 2 2 274.452 3.848 10 0 CHAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000020565593 171254111 /nfs/dbraw/zinc/25/41/11/171254111.db2.gz QLLZSLKRNNSQSC-ROUUACIJSA-N 2 2 274.452 3.848 10 0 CHAELP CCC[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC ZINC000021502209 171305816 /nfs/dbraw/zinc/30/58/16/171305816.db2.gz YNFIUYUDQLVBNL-RDJZCZTQSA-N 2 2 262.441 3.848 10 0 CHAELP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)C1 ZINC000021789949 171323180 /nfs/dbraw/zinc/32/31/80/171323180.db2.gz DCKJSZFBAUSGMP-XJISEUOASA-N 2 2 290.495 3.508 10 0 CHAELP C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)C1 ZINC000021789949 171323183 /nfs/dbraw/zinc/32/31/83/171323183.db2.gz DCKJSZFBAUSGMP-XJISEUOASA-N 2 2 290.495 3.508 10 0 CHAELP CCCC[N@H+](CC)[C@H](C[NH3+])c1c(C)cc(C)cc1C ZINC000022150062 171358263 /nfs/dbraw/zinc/35/82/63/171358263.db2.gz NPRYEGVBSAOVDD-MRXNPFEDSA-N 2 2 262.441 3.734 10 0 CHAELP CCCC[N@@H+](CC)[C@H](C[NH3+])c1c(C)cc(C)cc1C ZINC000022150062 171358265 /nfs/dbraw/zinc/35/82/65/171358265.db2.gz NPRYEGVBSAOVDD-MRXNPFEDSA-N 2 2 262.441 3.734 10 0 CHAELP C[C@H]1CC(C)(C)C[C@](C[NH3+])([N@H+](C)C2CCCCC2)C1 ZINC000035176646 172029424 /nfs/dbraw/zinc/02/94/24/172029424.db2.gz VGXPGIUBORNBEI-WMLDXEAASA-N 2 2 266.473 3.795 10 0 CHAELP C[C@H]1CC(C)(C)C[C@](C[NH3+])([N@@H+](C)C2CCCCC2)C1 ZINC000035176646 172029425 /nfs/dbraw/zinc/02/94/25/172029425.db2.gz VGXPGIUBORNBEI-WMLDXEAASA-N 2 2 266.473 3.795 10 0 CHAELP Cc1cc(C)c([C@H]([NH3+])C[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC000035206603 172050593 /nfs/dbraw/zinc/05/05/93/172050593.db2.gz IRSIJKSQUXLQKU-GOSISDBHSA-N 2 2 282.431 3.744 10 0 CHAELP Cc1cc(C)c([C@H]([NH3+])C[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000035206603 172050596 /nfs/dbraw/zinc/05/05/96/172050596.db2.gz IRSIJKSQUXLQKU-GOSISDBHSA-N 2 2 282.431 3.744 10 0 CHAELP CC[N@H+](C1CCCCC1)C1(C[NH3+])CCCCCC1 ZINC000035220711 172062512 /nfs/dbraw/zinc/06/25/12/172062512.db2.gz CKEKXLZGSICKFB-UHFFFAOYSA-N 2 2 252.446 3.693 10 0 CHAELP CC[N@@H+](C1CCCCC1)C1(C[NH3+])CCCCCC1 ZINC000035220711 172062514 /nfs/dbraw/zinc/06/25/14/172062514.db2.gz CKEKXLZGSICKFB-UHFFFAOYSA-N 2 2 252.446 3.693 10 0 CHAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cccc(Cl)c1Cl ZINC000035570511 172266696 /nfs/dbraw/zinc/26/66/96/172266696.db2.gz GTRLYOUPMBQZDD-NSHDSACASA-N 2 2 284.190 3.610 10 0 CHAELP C[C@@H](C[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000038029042 174018281 /nfs/dbraw/zinc/01/82/81/174018281.db2.gz VRUMKBHJDXHODN-FJIDUMEYSA-N 2 2 278.484 3.809 10 0 CHAELP C[NH+](C)CCCn1c2cc(Cl)ccc2[nH+]c1C1CC1 ZINC000040404190 174253590 /nfs/dbraw/zinc/25/35/90/174253590.db2.gz LAWNKOCGKTURIY-UHFFFAOYSA-N 2 2 277.799 3.519 10 0 CHAELP CC(C)c1[nH+]c2ccc(Cl)cc2n1CCC[NH+](C)C ZINC000040404152 174253604 /nfs/dbraw/zinc/25/36/04/174253604.db2.gz SGTAPGYMUCNRFK-UHFFFAOYSA-N 2 2 279.815 3.765 10 0 CHAELP CCC[N@H+]([C@@H](C)c1ccc(F)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071314607 176121287 /nfs/dbraw/zinc/12/12/87/176121287.db2.gz GURHKAUHMMLSFL-AAEUAGOBSA-N 2 2 284.806 3.614 10 0 CHAELP CCC[N@@H+]([C@@H](C)c1ccc(F)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071314607 176121289 /nfs/dbraw/zinc/12/12/89/176121289.db2.gz GURHKAUHMMLSFL-AAEUAGOBSA-N 2 2 284.806 3.614 10 0 CHAELP CCCCc1ccc([C@H]([C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000071587075 176214222 /nfs/dbraw/zinc/21/42/22/176214222.db2.gz AVRPZTCMOASPCP-YOEHRIQHSA-N 2 2 260.425 3.513 10 0 CHAELP CCCCc1ccc([C@@H]([C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000071587074 176214265 /nfs/dbraw/zinc/21/42/65/176214265.db2.gz AVRPZTCMOASPCP-WMLDXEAASA-N 2 2 260.425 3.513 10 0 CHAELP CC[C@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)c1ccc(OC)cc1 ZINC000037166867 260071841 /nfs/dbraw/zinc/07/18/41/260071841.db2.gz GIVHHHNNCSFIER-AEFFLSMTSA-N 2 2 292.467 3.712 10 0 CHAELP CC[C@@H]1CC[C@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)C1 ZINC000078005393 260167506 /nfs/dbraw/zinc/16/75/06/260167506.db2.gz OHFBAEFTXBLBBG-CABCVRRESA-N 2 2 271.408 3.513 10 0 CHAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1cccc(Cl)c1 ZINC000040502209 260285402 /nfs/dbraw/zinc/28/54/02/260285402.db2.gz UYRGJSREFPIZBL-CVEARBPZSA-N 2 2 280.843 3.865 10 0 CHAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1cccc(Cl)c1 ZINC000040502209 260285404 /nfs/dbraw/zinc/28/54/04/260285404.db2.gz UYRGJSREFPIZBL-CVEARBPZSA-N 2 2 280.843 3.865 10 0 CHAELP CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000300415767 261199598 /nfs/dbraw/zinc/19/95/98/261199598.db2.gz YWUNTXVGAQDZGF-FRFSOERESA-N 2 2 269.392 3.712 10 0 CHAELP Cc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(C)s1 ZINC000178323917 329198717 /nfs/dbraw/zinc/19/87/17/329198717.db2.gz TYEDFBJWYKLACF-INIZCTEOSA-N 2 2 289.448 3.534 10 0 CHAELP Cc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(C)s1 ZINC000178323917 329198718 /nfs/dbraw/zinc/19/87/18/329198718.db2.gz TYEDFBJWYKLACF-INIZCTEOSA-N 2 2 289.448 3.534 10 0 CHAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc3ccccc32)C1 ZINC000393346160 333077998 /nfs/dbraw/zinc/07/79/98/333077998.db2.gz FWCYEOHSLIWDMV-HOCLYGCPSA-N 2 2 268.404 3.585 10 0 CHAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc3ccccc32)C1 ZINC000393346160 333077999 /nfs/dbraw/zinc/07/79/99/333077999.db2.gz FWCYEOHSLIWDMV-HOCLYGCPSA-N 2 2 268.404 3.585 10 0 CHAELP C[C@@H]([NH2+][C@@H]1C=CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189895536 333200122 /nfs/dbraw/zinc/20/01/22/333200122.db2.gz RPFWJLMCUBMGBG-GDBMZVCRSA-N 2 2 267.376 3.632 10 0 CHAELP CCC[NH+](CCC)[C@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052416898 521649666 /nfs/dbraw/zinc/64/96/66/521649666.db2.gz KRVZNMWDQLQEET-QGZVFWFLSA-N 2 2 260.425 3.602 10 0 CHAELP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062671515 519271050 /nfs/dbraw/zinc/27/10/50/519271050.db2.gz BRHHBFBHZMCWKS-OAHLLOKOSA-N 2 2 280.843 3.550 10 0 CHAELP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062671515 519271055 /nfs/dbraw/zinc/27/10/55/519271055.db2.gz BRHHBFBHZMCWKS-OAHLLOKOSA-N 2 2 280.843 3.550 10 0 CHAELP CCC[NH2+]C[C@@H](CC)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346296 519921309 /nfs/dbraw/zinc/92/13/09/519921309.db2.gz TUHJURXFOJESOG-OAHLLOKOSA-N 2 2 268.832 3.550 10 0 CHAELP CCC[NH2+]C[C@@H](CC)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052346296 519921311 /nfs/dbraw/zinc/92/13/11/519921311.db2.gz TUHJURXFOJESOG-OAHLLOKOSA-N 2 2 268.832 3.550 10 0 CHAELP CC[NH2+]C[C@@H](c1ccccc1)[N@H+](C)[C@@H](C)CC(C)C ZINC000052572131 519949299 /nfs/dbraw/zinc/94/92/99/519949299.db2.gz BQMNIOZHSZXZFS-RDJZCZTQSA-N 2 2 262.441 3.704 10 0 CHAELP CC[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)[C@@H](C)CC(C)C ZINC000052572131 519949304 /nfs/dbraw/zinc/94/93/04/519949304.db2.gz BQMNIOZHSZXZFS-RDJZCZTQSA-N 2 2 262.441 3.704 10 0 CHAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccco1 ZINC000151700721 525663109 /nfs/dbraw/zinc/66/31/09/525663109.db2.gz ZIRNRAPJHKYTIM-ZIAGYGMSSA-N 2 2 281.359 3.877 10 0 CHAELP Cc1cc2[nH+]cn([C@@H](C)C[NH2+]C(C)(C)C)c2cc1C ZINC000052575712 525686435 /nfs/dbraw/zinc/68/64/35/525686435.db2.gz SNFCCJGVUXHEPU-ZDUSSCGKSA-N 2 2 259.397 3.602 10 0 CHAELP CC1=C(C)C(=C2C=C[NH+](C)C=C2)C=C1c1cc[n+](C)cc1 ZINC000005305363 170084530 /nfs/dbraw/zinc/08/45/30/170084530.db2.gz GQVCMDUVISEBOL-UHFFFAOYSA-N 2 2 277.391 3.514 10 0 CHAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](C)CC1CCCCC1 ZINC000020225468 171088529 /nfs/dbraw/zinc/08/85/29/171088529.db2.gz PNEAQVJGMITZDM-KRWDZBQOSA-N 2 2 260.425 3.507 10 0 CHAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](C)CC1CCCCC1 ZINC000020225468 171088531 /nfs/dbraw/zinc/08/85/31/171088531.db2.gz PNEAQVJGMITZDM-KRWDZBQOSA-N 2 2 260.425 3.507 10 0 CHAELP CCCCCC[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020361922 171160129 /nfs/dbraw/zinc/16/01/29/171160129.db2.gz VFZOSKIVROATNX-UHFFFAOYSA-N 2 2 259.397 3.515 10 0 CHAELP C[C@@H]1CCC[N@@H+](C2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000020549638 171246154 /nfs/dbraw/zinc/24/61/54/171246154.db2.gz IURKWGSOTKAMQA-HPUBIQBYSA-N 2 2 266.473 3.652 10 0 CHAELP C[C@@H]1CCC[N@H+](C2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000020549638 171246155 /nfs/dbraw/zinc/24/61/55/171246155.db2.gz IURKWGSOTKAMQA-HPUBIQBYSA-N 2 2 266.473 3.652 10 0 CHAELP CC[N@H+]([C@H](C[NH3+])c1ccccc1Cl)C1CCCCC1 ZINC000020559713 171251614 /nfs/dbraw/zinc/25/16/14/171251614.db2.gz XAZWGJFOEORAGA-MRXNPFEDSA-N 2 2 280.843 3.994 10 0 CHAELP CC[N@@H+]([C@H](C[NH3+])c1ccccc1Cl)C1CCCCC1 ZINC000020559713 171251616 /nfs/dbraw/zinc/25/16/16/171251616.db2.gz XAZWGJFOEORAGA-MRXNPFEDSA-N 2 2 280.843 3.994 10 0 CHAELP Cc1cc2[nH+]cn([C@@H]3CCCCCC[C@H]3[NH3+])c2cc1C ZINC000021503199 171306264 /nfs/dbraw/zinc/30/62/64/171306264.db2.gz GSMOLNWKMXOKLS-GDBMZVCRSA-N 2 2 271.408 3.876 10 0 CHAELP CC(C)[N@H+](C)[C@@H](C[NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000022177496 171371618 /nfs/dbraw/zinc/37/16/18/171371618.db2.gz HHXBFJWEIFZPJH-LBPRGKRZSA-N 2 2 292.370 3.639 10 0 CHAELP CC(C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000022177496 171371619 /nfs/dbraw/zinc/37/16/19/171371619.db2.gz HHXBFJWEIFZPJH-LBPRGKRZSA-N 2 2 292.370 3.639 10 0 CHAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1Cl ZINC000035586350 172285577 /nfs/dbraw/zinc/28/55/77/172285577.db2.gz ABUVRTFLDLGMBS-ZDUSSCGKSA-N 2 2 298.217 4.000 10 0 CHAELP CC[NH2+][C@@H](C)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000044471745 175178121 /nfs/dbraw/zinc/17/81/21/175178121.db2.gz SBQGULKKCJIHLC-HNNXBMFYSA-N 2 2 266.473 3.952 10 0 CHAELP CCCCc1ccc([C@H]([C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000071587073 176214487 /nfs/dbraw/zinc/21/44/87/176214487.db2.gz AVRPZTCMOASPCP-PBHICJAKSA-N 2 2 260.425 3.513 10 0 CHAELP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000222692550 260231172 /nfs/dbraw/zinc/23/11/72/260231172.db2.gz AZYVWVNDZNJLTQ-WMLDXEAASA-N 2 2 260.425 3.555 10 0 CHAELP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000222692550 260231173 /nfs/dbraw/zinc/23/11/73/260231173.db2.gz AZYVWVNDZNJLTQ-WMLDXEAASA-N 2 2 260.425 3.555 10 0 CHAELP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171640848 329075055 /nfs/dbraw/zinc/07/50/55/329075055.db2.gz QJMLLXXZYNPHJG-LSDHHAIUSA-N 2 2 299.393 3.716 10 0 CHAELP c1csc(C2=CC[N@H+](Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000180343312 329215358 /nfs/dbraw/zinc/21/53/58/329215358.db2.gz WDKGXOWPJWRIOR-UHFFFAOYSA-N 2 2 295.411 3.685 10 0 CHAELP c1csc(C2=CC[N@@H+](Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000180343312 329215359 /nfs/dbraw/zinc/21/53/59/329215359.db2.gz WDKGXOWPJWRIOR-UHFFFAOYSA-N 2 2 295.411 3.685 10 0 CHAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](C)c3ccccc32)C1 ZINC000250193410 333303351 /nfs/dbraw/zinc/30/33/51/333303351.db2.gz AOIHPTYWWVGULO-MPGHIAIKSA-N 2 2 272.436 3.699 10 0 CHAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](C)c3ccccc32)C1 ZINC000250193410 333303352 /nfs/dbraw/zinc/30/33/52/333303352.db2.gz AOIHPTYWWVGULO-MPGHIAIKSA-N 2 2 272.436 3.699 10 0 CHAELP CCCC1CC[NH+]([C@H](c2ccsc2)[C@@H](C)[NH3+])CC1 ZINC000050893031 519903209 /nfs/dbraw/zinc/90/32/09/519903209.db2.gz JFVQVPDFYQRLSO-DOMZBBRYSA-N 2 2 266.454 3.649 10 0 CHAELP CC[C@H](C[NH2+]C(C)(C)C)[N@@H+]1CCc2sccc2[C@@H]1C ZINC000052505280 522189229 /nfs/dbraw/zinc/18/92/29/522189229.db2.gz HTTFGNBRRVORRO-QWHCGFSZSA-N 2 2 280.481 3.834 10 0 CHAELP CC[C@H](C[NH2+]C(C)(C)C)[N@H+]1CCc2sccc2[C@@H]1C ZINC000052505280 522189238 /nfs/dbraw/zinc/18/92/38/522189238.db2.gz HTTFGNBRRVORRO-QWHCGFSZSA-N 2 2 280.481 3.834 10 0 CHAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[NH+]1Cc2ccccc2C1 ZINC000050911069 520772148 /nfs/dbraw/zinc/77/21/48/520772148.db2.gz FGOWAZPUXVFHLW-IAGOWNOFSA-N 2 2 260.425 3.559 10 0 CHAELP CCC[N@H+](CC)[C@H](C[NH3+])c1csc2ccccc21 ZINC000054464015 521614856 /nfs/dbraw/zinc/61/48/56/521614856.db2.gz XYCHXYUPRNCMGB-CQSZACIVSA-N 2 2 262.422 3.633 10 0 CHAELP CCC[N@@H+](CC)[C@H](C[NH3+])c1csc2ccccc21 ZINC000054464015 521614857 /nfs/dbraw/zinc/61/48/57/521614857.db2.gz XYCHXYUPRNCMGB-CQSZACIVSA-N 2 2 262.422 3.633 10 0 CHAELP CC[C@H](C[NH2+]CC(C)C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346305 522193800 /nfs/dbraw/zinc/19/38/00/522193800.db2.gz TWKWYBFDWQCYMH-MRXNPFEDSA-N 2 2 282.859 3.796 10 0 CHAELP CC[C@H](C[NH2+]CC(C)C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052346305 522193810 /nfs/dbraw/zinc/19/38/10/522193810.db2.gz TWKWYBFDWQCYMH-MRXNPFEDSA-N 2 2 282.859 3.796 10 0 CHAELP C[C@@H](C[NH2+]C(C)(C)C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000052507929 524732523 /nfs/dbraw/zinc/73/25/23/524732523.db2.gz MUSYSDWPUKADJV-LBPRGKRZSA-N 2 2 268.832 3.548 10 0 CHAELP C[C@@H](C[NH2+]C(C)(C)C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052507929 524732533 /nfs/dbraw/zinc/73/25/33/524732533.db2.gz MUSYSDWPUKADJV-LBPRGKRZSA-N 2 2 268.832 3.548 10 0 CHAELP [NH3+]C[C@@H](c1csc2ccccc12)[NH+]1CCCCCC1 ZINC000054463879 527208226 /nfs/dbraw/zinc/20/82/26/527208226.db2.gz JIRIXFAYRLYMBT-HNNXBMFYSA-N 2 2 274.433 3.777 10 0 CHAELP CCCC[NH+](CCCC)[C@@H](C[NH3+])c1ccccc1F ZINC000020484985 171224413 /nfs/dbraw/zinc/22/44/13/171224413.db2.gz VTEOOEIUBUGKTM-INIZCTEOSA-N 2 2 266.404 3.728 10 0 CHAELP CCCC[NH+](CCCC)[C@@H](C[NH3+])c1ccccc1OC ZINC000020484724 171224592 /nfs/dbraw/zinc/22/45/92/171224592.db2.gz XVZHBFJZMGVWQL-INIZCTEOSA-N 2 2 278.440 3.597 10 0 CHAELP CCCC[NH+](CCCC)[C@H](C[NH3+])c1sccc1C ZINC000020484721 171224786 /nfs/dbraw/zinc/22/47/86/171224786.db2.gz PCWFAACTXVUQML-CQSZACIVSA-N 2 2 268.470 3.959 10 0 CHAELP CCCC[N@H+](C)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020567069 171255333 /nfs/dbraw/zinc/25/53/33/171255333.db2.gz GLCHUXIKNUOCHA-MRXNPFEDSA-N 2 2 262.441 3.716 10 0 CHAELP CCCC[N@@H+](C)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020567069 171255334 /nfs/dbraw/zinc/25/53/34/171255334.db2.gz GLCHUXIKNUOCHA-MRXNPFEDSA-N 2 2 262.441 3.716 10 0 CHAELP [NH3+]CC1([NH+]2CCCCCCC2)CCCCCCC1 ZINC000020567413 171255341 /nfs/dbraw/zinc/25/53/41/171255341.db2.gz PVQYOFXHNIKCID-UHFFFAOYSA-N 2 2 252.446 3.694 10 0 CHAELP CC[NH+](CC)[C@H](c1ccccc1)[C@@H]([NH3+])Cc1ccccc1 ZINC000021013691 171288762 /nfs/dbraw/zinc/28/87/62/171288762.db2.gz AVAKWBHVJIRYDX-RBUKOAKNSA-N 2 2 282.431 3.640 10 0 CHAELP C[C@@H]1CCC[C@H](C)C1[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000021806140 171327623 /nfs/dbraw/zinc/32/76/23/171327623.db2.gz QUWXCDMPXJJFPZ-HZSIZEEPSA-N 2 2 274.452 3.704 10 0 CHAELP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000021806137 171327665 /nfs/dbraw/zinc/32/76/65/171327665.db2.gz QUWXCDMPXJJFPZ-INMHGKMJSA-N 2 2 274.452 3.704 10 0 CHAELP C(C[NH+]1CCCC1)[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000035013024 171930744 /nfs/dbraw/zinc/93/07/44/171930744.db2.gz NJYPKWBCBYKWSE-MSOLQXFVSA-N 2 2 278.484 3.811 10 0 CHAELP CCCC(C[NH3+])(CCC)[N@@H+](CC)C1CCCCC1 ZINC000035176718 172030135 /nfs/dbraw/zinc/03/01/35/172030135.db2.gz IJGWMMRXPCNWNB-UHFFFAOYSA-N 2 2 254.462 3.939 10 0 CHAELP CCCC(C[NH3+])(CCC)[N@H+](CC)C1CCCCC1 ZINC000035176718 172030134 /nfs/dbraw/zinc/03/01/34/172030134.db2.gz IJGWMMRXPCNWNB-UHFFFAOYSA-N 2 2 254.462 3.939 10 0 CHAELP CC[N@H+](C1CCCCC1)[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000035176748 172030334 /nfs/dbraw/zinc/03/03/34/172030334.db2.gz FVVOFXWQDUDYGR-HOCLYGCPSA-N 2 2 252.446 3.549 10 0 CHAELP CC[N@@H+](C1CCCCC1)[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000035176748 172030335 /nfs/dbraw/zinc/03/03/35/172030335.db2.gz FVVOFXWQDUDYGR-HOCLYGCPSA-N 2 2 252.446 3.549 10 0 CHAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)c(Cl)c1 ZINC000035570323 172265904 /nfs/dbraw/zinc/26/59/04/172265904.db2.gz MRGHQKVBLVAHCC-LBPRGKRZSA-N 2 2 284.190 3.610 10 0 CHAELP CC[C@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000037167189 173001612 /nfs/dbraw/zinc/00/16/12/173001612.db2.gz UCUOVVDWDPSOIU-IRXDYDNUSA-N 2 2 262.441 3.704 10 0 CHAELP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1cccc(Cl)c1 ZINC000040502211 260285449 /nfs/dbraw/zinc/28/54/49/260285449.db2.gz UYRGJSREFPIZBL-HOTGVXAUSA-N 2 2 280.843 3.865 10 0 CHAELP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1cccc(Cl)c1 ZINC000040502211 260285451 /nfs/dbraw/zinc/28/54/51/260285451.db2.gz UYRGJSREFPIZBL-HOTGVXAUSA-N 2 2 280.843 3.865 10 0 CHAELP CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090175499 327031835 /nfs/dbraw/zinc/03/18/35/327031835.db2.gz YWUNTXVGAQDZGF-LXZKKBNFSA-N 2 2 269.392 3.712 10 0 CHAELP Cc1ccccc1[C@H]([NH2+]CCC[NH+](C)C)c1ccccc1 ZINC000105689709 330327962 /nfs/dbraw/zinc/32/79/62/330327962.db2.gz BIPIABRNRKFERM-LJQANCHMSA-N 2 2 282.431 3.626 10 0 CHAELP CSc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246908697 334271542 /nfs/dbraw/zinc/27/15/42/334271542.db2.gz FTCUUQCFGYTAJZ-JKIFEVAISA-N 2 2 292.492 3.788 10 0 CHAELP CSc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000246908697 334271543 /nfs/dbraw/zinc/27/15/43/334271543.db2.gz FTCUUQCFGYTAJZ-JKIFEVAISA-N 2 2 292.492 3.788 10 0 CHAELP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251829218 334370441 /nfs/dbraw/zinc/37/04/41/334370441.db2.gz ZBSBQWPSHFVNTB-OLMNPRSZSA-N 2 2 286.463 3.871 10 0 CHAELP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251829218 334370442 /nfs/dbraw/zinc/37/04/42/334370442.db2.gz ZBSBQWPSHFVNTB-OLMNPRSZSA-N 2 2 286.463 3.871 10 0 CHAELP CCCC1CCC([NH2+][C@H](C[NH+](C)C)C(C)C)CC1 ZINC000049197108 519899319 /nfs/dbraw/zinc/89/93/19/519899319.db2.gz VXYSUIKOVUQKQM-UYSNPLJNSA-N 2 2 254.462 3.521 10 0 CHAELP CCCC[N@H+](CC)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052418869 520482584 /nfs/dbraw/zinc/48/25/84/520482584.db2.gz TXWKHPYJGCRVCS-KRWDZBQOSA-N 2 2 260.425 3.602 10 0 CHAELP CCCC[N@@H+](CC)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052418869 520482591 /nfs/dbraw/zinc/48/25/91/520482591.db2.gz TXWKHPYJGCRVCS-KRWDZBQOSA-N 2 2 260.425 3.602 10 0 CHAELP CCC(CC)(C[NH3+])[NH+]1CCC2(CCCCC2)CC1 ZINC000061818856 521426659 /nfs/dbraw/zinc/42/66/59/521426659.db2.gz VDCNIHNVJZDNEU-UHFFFAOYSA-N 2 2 252.446 3.550 10 0 CHAELP CC[C@@H](C[NH2+]CC(C)C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346304 522547494 /nfs/dbraw/zinc/54/74/94/522547494.db2.gz TWKWYBFDWQCYMH-INIZCTEOSA-N 2 2 282.859 3.796 10 0 CHAELP CC[C@@H](C[NH2+]CC(C)C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052346304 522547499 /nfs/dbraw/zinc/54/74/99/522547499.db2.gz TWKWYBFDWQCYMH-INIZCTEOSA-N 2 2 282.859 3.796 10 0 CHAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000049196459 519794025 /nfs/dbraw/zinc/79/40/25/519794025.db2.gz ZSJADYXZZYAUBF-SWLSCSKDSA-N 2 2 268.832 3.577 10 0 CHAELP CCC[C@H]([NH2+]CC)[C@H](CC)[NH+]1CCC(C)(C)CC1 ZINC000061819718 521157423 /nfs/dbraw/zinc/15/74/23/521157423.db2.gz SXXJSYLVEDWYKN-GJZGRUSLSA-N 2 2 254.462 3.665 10 0 CHAELP C[NH2+]C[C@H](C(C)C)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062020069 522063569 /nfs/dbraw/zinc/06/35/69/522063569.db2.gz KKHMSYBZFDXORH-SWLSCSKDSA-N 2 2 268.832 3.577 10 0 CHAELP C[NH2+]C[C@H](C(C)C)[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062020069 522063577 /nfs/dbraw/zinc/06/35/77/522063577.db2.gz KKHMSYBZFDXORH-SWLSCSKDSA-N 2 2 268.832 3.577 10 0 CHAELP CCc1ccc([N@H+](C)CCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000050954179 523958448 /nfs/dbraw/zinc/95/84/48/523958448.db2.gz JQKMFMDTMDPSCC-INIZCTEOSA-N 2 2 260.425 3.608 10 0 CHAELP CCc1ccc([N@@H+](C)CCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000050954179 523958449 /nfs/dbraw/zinc/95/84/49/523958449.db2.gz JQKMFMDTMDPSCC-INIZCTEOSA-N 2 2 260.425 3.608 10 0 CHAELP C[C@@H]([NH3+])[C@H](c1ccccc1Cl)[NH+]1CCC(C)(C)CC1 ZINC000061818392 525015724 /nfs/dbraw/zinc/01/57/24/525015724.db2.gz PEXMZMCYUZVCQE-IUODEOHRSA-N 2 2 280.843 3.850 10 0 CHAELP Cc1ccccc1C[N@H+]1C[C@H](C(C)C)[NH2+]C[C@@H]1CC(C)C ZINC000062705152 525146968 /nfs/dbraw/zinc/14/69/68/525146968.db2.gz YTSTVFGJGYGYEJ-RBUKOAKNSA-N 2 2 288.479 3.840 10 0 CHAELP Cc1ccccc1C[N@@H+]1C[C@H](C(C)C)[NH2+]C[C@@H]1CC(C)C ZINC000062705152 525146972 /nfs/dbraw/zinc/14/69/72/525146972.db2.gz YTSTVFGJGYGYEJ-RBUKOAKNSA-N 2 2 288.479 3.840 10 0 CHAELP Cc1cc([C@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C)c(C)s1 ZINC000049197297 525529933 /nfs/dbraw/zinc/52/99/33/525529933.db2.gz PYRVHEOIWOMMNP-SWLSCSKDSA-N 2 2 268.470 3.602 10 0 CHAELP Cc1ccccc1[C@@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1 ZINC000020225447 171088178 /nfs/dbraw/zinc/08/81/78/171088178.db2.gz MFHRFQWXZHMRPV-QGZVFWFLSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1ccccc1[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000020225447 171088180 /nfs/dbraw/zinc/08/81/80/171088180.db2.gz MFHRFQWXZHMRPV-QGZVFWFLSA-N 2 2 288.822 3.780 10 0 CHAELP CCCC[NH+](CCCC)[C@@H](C[NH3+])c1sccc1C ZINC000020484718 171224467 /nfs/dbraw/zinc/22/44/67/171224467.db2.gz PCWFAACTXVUQML-AWEZNQCLSA-N 2 2 268.470 3.959 10 0 CHAELP CC[C@H](C)C[NH2+]C[C@H](c1ccccc1)[NH+](CC)CC ZINC000021012551 171288080 /nfs/dbraw/zinc/28/80/80/171288080.db2.gz CHXSPNUEKREPTK-DOTOQJQBSA-N 2 2 262.441 3.705 10 0 CHAELP C[C@H]1C[C@H](C)C[NH+]([C@@]2(C[NH3+])C[C@@H](C)CC(C)(C)C2)C1 ZINC000021027058 171291201 /nfs/dbraw/zinc/29/12/01/171291201.db2.gz ISLDIGDXLBNQAF-JKQORVJESA-N 2 2 266.473 3.508 10 0 CHAELP Cc1cc2[nH+]cn([C@H]3CCCCCC[C@@H]3[NH3+])c2cc1C ZINC000021503197 171306568 /nfs/dbraw/zinc/30/65/68/171306568.db2.gz GSMOLNWKMXOKLS-HOCLYGCPSA-N 2 2 271.408 3.876 10 0 CHAELP CC(C)[N@H+](C)[C@@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021506290 171307964 /nfs/dbraw/zinc/30/79/64/171307964.db2.gz MPESZTSTNVOYIF-JKSUJKDBSA-N 2 2 254.462 3.937 10 0 CHAELP CC(C)[N@@H+](C)[C@@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021506290 171307967 /nfs/dbraw/zinc/30/79/67/171307967.db2.gz MPESZTSTNVOYIF-JKSUJKDBSA-N 2 2 254.462 3.937 10 0 CHAELP CC[N@H+](C1CCCCC1)[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000035176749 172029818 /nfs/dbraw/zinc/02/98/18/172029818.db2.gz FVVOFXWQDUDYGR-GOEBONIOSA-N 2 2 252.446 3.549 10 0 CHAELP CC[N@@H+](C1CCCCC1)[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC000035176749 172029820 /nfs/dbraw/zinc/02/98/20/172029820.db2.gz FVVOFXWQDUDYGR-GOEBONIOSA-N 2 2 252.446 3.549 10 0 CHAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1c(Cl)cccc1Cl ZINC000035570521 172266576 /nfs/dbraw/zinc/26/65/76/172266576.db2.gz VXDAAZWLNDXWOS-LLVKDONJSA-N 2 2 284.190 3.610 10 0 CHAELP C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000035738581 172392165 /nfs/dbraw/zinc/39/21/65/172392165.db2.gz UHKDNLNRRTVVGX-KGLIPLIRSA-N 2 2 281.359 3.877 10 0 CHAELP CCc1[nH+]c2cc(C(F)(F)F)ccc2n1CCC[NH+](C)C ZINC000040403980 174253547 /nfs/dbraw/zinc/25/35/47/174253547.db2.gz ZRKMPOOAWXDTLR-UHFFFAOYSA-N 2 2 299.340 3.569 10 0 CHAELP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000222692358 260231087 /nfs/dbraw/zinc/23/10/87/260231087.db2.gz AZYVWVNDZNJLTQ-PBHICJAKSA-N 2 2 260.425 3.555 10 0 CHAELP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000222692358 260231088 /nfs/dbraw/zinc/23/10/88/260231088.db2.gz AZYVWVNDZNJLTQ-PBHICJAKSA-N 2 2 260.425 3.555 10 0 CHAELP C(=C/[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1)\c1cccs1 ZINC000375179875 329001564 /nfs/dbraw/zinc/00/15/64/329001564.db2.gz YQXZBPDMABRMBR-LQYUOIDQSA-N 2 2 287.432 3.513 10 0 CHAELP C(=C/[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1)\c1cccs1 ZINC000375179875 329001566 /nfs/dbraw/zinc/00/15/66/329001566.db2.gz YQXZBPDMABRMBR-LQYUOIDQSA-N 2 2 287.432 3.513 10 0 CHAELP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000045094451 330338619 /nfs/dbraw/zinc/33/86/19/330338619.db2.gz FLXPZJAMKZECTG-HOTGVXAUSA-N 2 2 277.456 3.858 10 0 CHAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222434177 333193534 /nfs/dbraw/zinc/19/35/34/333193534.db2.gz VEFLYWQVGQVIEI-MGPQQGTHSA-N 2 2 294.405 3.673 10 0 CHAELP C[C@H]([NH2+][C@H]1C=CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189895478 333200119 /nfs/dbraw/zinc/20/01/19/333200119.db2.gz RPFWJLMCUBMGBG-HOCLYGCPSA-N 2 2 267.376 3.632 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCCc2ccccc21 ZINC000247147734 334276397 /nfs/dbraw/zinc/27/63/97/334276397.db2.gz UCSOVEJYWLKGAN-HKUYNNGSSA-N 2 2 295.430 3.734 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCCc2ccccc21 ZINC000247147734 334276398 /nfs/dbraw/zinc/27/63/98/334276398.db2.gz UCSOVEJYWLKGAN-HKUYNNGSSA-N 2 2 295.430 3.734 10 0 CHAELP CC/C=C\CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000346587992 335369344 /nfs/dbraw/zinc/36/93/44/335369344.db2.gz WPMSSLWFRVPAON-FOSCPCJNSA-N 2 2 269.392 3.879 10 0 CHAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000049195593 519793861 /nfs/dbraw/zinc/79/38/61/519793861.db2.gz VYIGZKOPCWLEHD-IUODEOHRSA-N 2 2 268.832 3.577 10 0 CHAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[NH+]1Cc2ccccc2C1 ZINC000050911071 520771132 /nfs/dbraw/zinc/77/11/32/520771132.db2.gz FGOWAZPUXVFHLW-SJORKVTESA-N 2 2 260.425 3.559 10 0 CHAELP CCC[C@@](C)(C[NH2+]C(C)C)C[N@H+](C)Cc1ccco1 ZINC000051216473 520909241 /nfs/dbraw/zinc/90/92/41/520909241.db2.gz LDHJUNWLXMWNOL-INIZCTEOSA-N 2 2 266.429 3.516 10 0 CHAELP CCC[C@@](C)(C[NH2+]C(C)C)C[N@@H+](C)Cc1ccco1 ZINC000051216473 520909246 /nfs/dbraw/zinc/90/92/46/520909246.db2.gz LDHJUNWLXMWNOL-INIZCTEOSA-N 2 2 266.429 3.516 10 0 CHAELP CCC[C@@](C)([NH3+])C[NH+]1CCC2(CCCCC2)CC1 ZINC000061822569 520921957 /nfs/dbraw/zinc/92/19/57/520921957.db2.gz ZLRKFJRQWAYKFV-OAHLLOKOSA-N 2 2 252.446 3.550 10 0 CHAELP CC[N@H+](CCCCC[NH2+]C(C)C)c1ccccc1C ZINC000052417812 521001736 /nfs/dbraw/zinc/00/17/36/521001736.db2.gz ATJCOFJMDBFRQF-UHFFFAOYSA-N 2 2 262.441 3.990 10 0 CHAELP CC[N@@H+](CCCCC[NH2+]C(C)C)c1ccccc1C ZINC000052417812 521001746 /nfs/dbraw/zinc/00/17/46/521001746.db2.gz ATJCOFJMDBFRQF-UHFFFAOYSA-N 2 2 262.441 3.990 10 0 CHAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCCCC1 ZINC000054601695 521954576 /nfs/dbraw/zinc/95/45/76/521954576.db2.gz PQIRZDGWERGNGT-ZXFUBFMLSA-N 2 2 264.457 3.704 10 0 CHAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCCCC1 ZINC000054601695 521954583 /nfs/dbraw/zinc/95/45/83/521954583.db2.gz PQIRZDGWERGNGT-ZXFUBFMLSA-N 2 2 264.457 3.704 10 0 CHAELP C[C@@H]1CCC[N@@H+](C2(C[NH3+])CCCCCCC2)[C@@H]1C ZINC000050563944 524217398 /nfs/dbraw/zinc/21/73/98/524217398.db2.gz QPJVUZLYGCCZSY-HUUCEWRRSA-N 2 2 252.446 3.549 10 0 CHAELP C[C@@H]1CCC[N@H+](C2(C[NH3+])CCCCCCC2)[C@@H]1C ZINC000050563944 524217403 /nfs/dbraw/zinc/21/74/03/524217403.db2.gz QPJVUZLYGCCZSY-HUUCEWRRSA-N 2 2 252.446 3.549 10 0 CHAELP [NH3+]C[C@H](c1csc2ccccc12)[NH+]1CCCCCC1 ZINC000054463877 527230749 /nfs/dbraw/zinc/23/07/49/527230749.db2.gz JIRIXFAYRLYMBT-OAHLLOKOSA-N 2 2 274.433 3.777 10 0 CHAELP C[NH2+][C@@H](CCCc1ccccc1)C[N@H+](C)Cc1ccccc1 ZINC000725255371 567915039 /nfs/dbraw/zinc/91/50/39/567915039.db2.gz ADQCVZFBXPRTHW-FQEVSTJZSA-N 2 2 296.458 3.729 10 0 CHAELP C[NH2+][C@@H](CCCc1ccccc1)C[N@@H+](C)Cc1ccccc1 ZINC000725255371 567915042 /nfs/dbraw/zinc/91/50/42/567915042.db2.gz ADQCVZFBXPRTHW-FQEVSTJZSA-N 2 2 296.458 3.729 10 0 CHAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000020225501 171088362 /nfs/dbraw/zinc/08/83/62/171088362.db2.gz VFRYCFKELJPSQR-QGZVFWFLSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000020225501 171088364 /nfs/dbraw/zinc/08/83/64/171088364.db2.gz VFRYCFKELJPSQR-QGZVFWFLSA-N 2 2 288.822 3.780 10 0 CHAELP C[N@H+](CCc1ccccc1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226036 171090032 /nfs/dbraw/zinc/09/00/32/171090032.db2.gz BCTNKSJXLKTZKX-KRWDZBQOSA-N 2 2 288.822 3.514 10 0 CHAELP C[N@@H+](CCc1ccccc1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226036 171090033 /nfs/dbraw/zinc/09/00/33/171090033.db2.gz BCTNKSJXLKTZKX-KRWDZBQOSA-N 2 2 288.822 3.514 10 0 CHAELP Cc1ccccc1C[N@@H+](C)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020225999 171090221 /nfs/dbraw/zinc/09/02/21/171090221.db2.gz YBKAUVYSLFZHMY-QGZVFWFLSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1ccccc1C[N@H+](C)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020225999 171090223 /nfs/dbraw/zinc/09/02/23/171090223.db2.gz YBKAUVYSLFZHMY-QGZVFWFLSA-N 2 2 288.822 3.780 10 0 CHAELP CC(C)c1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000020548671 171245846 /nfs/dbraw/zinc/24/58/46/171245846.db2.gz OBPJVJGSPLPUOH-DAYGRLMNSA-N 2 2 274.452 3.788 10 0 CHAELP CC(C)c1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000020548671 171245847 /nfs/dbraw/zinc/24/58/47/171245847.db2.gz OBPJVJGSPLPUOH-DAYGRLMNSA-N 2 2 274.452 3.788 10 0 CHAELP CC1CC[NH+](C2(C[NH3+])CCC(c3ccccc3)CC2)CC1 ZINC000020557453 171250485 /nfs/dbraw/zinc/25/04/85/171250485.db2.gz VDDBFPGEIMGJEQ-UHFFFAOYSA-N 2 2 286.463 3.774 10 0 CHAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000020565592 171253864 /nfs/dbraw/zinc/25/38/64/171253864.db2.gz QLLZSLKRNNSQSC-MSOLQXFVSA-N 2 2 274.452 3.848 10 0 CHAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000020565592 171253865 /nfs/dbraw/zinc/25/38/65/171253865.db2.gz QLLZSLKRNNSQSC-MSOLQXFVSA-N 2 2 274.452 3.848 10 0 CHAELP C[C@@H]1C[C@H](C)C[N@H+](C2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000021012009 171287670 /nfs/dbraw/zinc/28/76/70/171287670.db2.gz ASXQZYRZAXXXJH-SFYZZRBRSA-N 2 2 280.500 3.898 10 0 CHAELP C[C@@H]1C[C@H](C)C[N@@H+](C2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000021012009 171287671 /nfs/dbraw/zinc/28/76/71/171287671.db2.gz ASXQZYRZAXXXJH-SFYZZRBRSA-N 2 2 280.500 3.898 10 0 CHAELP CCC(C)(C)C1CCC([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000021505430 171307611 /nfs/dbraw/zinc/30/76/11/171307611.db2.gz MUBZWUPLBNCQJM-UHFFFAOYSA-N 2 2 268.489 3.911 10 0 CHAELP CC(C)C[C@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC000021520191 171315657 /nfs/dbraw/zinc/31/56/57/171315657.db2.gz ANSOAVJJHDNFBO-OWCLPIDISA-N 2 2 268.489 3.767 10 0 CHAELP CCCC[N@H+](CC)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000021800418 171325840 /nfs/dbraw/zinc/32/58/40/171325840.db2.gz XHNPTZFBJNGWQZ-SOUVJXGZSA-N 2 2 254.462 3.651 10 0 CHAELP CCCC[N@@H+](CC)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000021800418 171325841 /nfs/dbraw/zinc/32/58/41/171325841.db2.gz XHNPTZFBJNGWQZ-SOUVJXGZSA-N 2 2 254.462 3.651 10 0 CHAELP CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H]([NH+]2CCCCCCC2)C1 ZINC000021800607 171325905 /nfs/dbraw/zinc/32/59/05/171325905.db2.gz KIGYXHLLLJAMKE-OAGGEKHMSA-N 2 2 266.473 3.795 10 0 CHAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000022209558 171373000 /nfs/dbraw/zinc/37/30/00/171373000.db2.gz PEEXWZIMIXANFD-FZMZJTMJSA-N 2 2 286.341 3.580 10 0 CHAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000022209558 171373002 /nfs/dbraw/zinc/37/30/02/171373002.db2.gz PEEXWZIMIXANFD-FZMZJTMJSA-N 2 2 286.341 3.580 10 0 CHAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1Cl ZINC000035570066 172265371 /nfs/dbraw/zinc/26/53/71/172265371.db2.gz RACIAZXDWDSBLP-LBPRGKRZSA-N 2 2 284.190 3.610 10 0 CHAELP CCCCCC[C@](C)(C[NH3+])[N@H+](C)Cc1ccsc1 ZINC000035718998 172373525 /nfs/dbraw/zinc/37/35/25/172373525.db2.gz KUBMLDUTSWTTBB-OAHLLOKOSA-N 2 2 268.470 3.868 10 0 CHAELP CCCCCC[C@](C)(C[NH3+])[N@@H+](C)Cc1ccsc1 ZINC000035718998 172373528 /nfs/dbraw/zinc/37/35/28/172373528.db2.gz KUBMLDUTSWTTBB-OAHLLOKOSA-N 2 2 268.470 3.868 10 0 CHAELP Cc1cccc(C2CC([NH2+]C[C@@H](C)[NH+]3CCCCC3)C2)c1 ZINC000038028926 174018381 /nfs/dbraw/zinc/01/83/81/174018381.db2.gz SLGVUAKYWXHKEP-IPJUCJBFSA-N 2 2 286.463 3.705 10 0 CHAELP CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@H+](CC1CC1)C(C)C ZINC000042579896 174804310 /nfs/dbraw/zinc/80/43/10/174804310.db2.gz RDLOJJITRKKEQD-ZBFHGGJFSA-N 2 2 254.462 3.651 10 0 CHAELP CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@@H+](CC1CC1)C(C)C ZINC000042579896 174804312 /nfs/dbraw/zinc/80/43/12/174804312.db2.gz RDLOJJITRKKEQD-ZBFHGGJFSA-N 2 2 254.462 3.651 10 0 CHAELP CC[C@@H]1CC[C@@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)C1 ZINC000078005397 260167887 /nfs/dbraw/zinc/16/78/87/260167887.db2.gz OHFBAEFTXBLBBG-HUUCEWRRSA-N 2 2 271.408 3.513 10 0 CHAELP Cc1ccccc1[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000176539625 261295123 /nfs/dbraw/zinc/29/51/23/261295123.db2.gz IUWIHZMKTREOOD-LJQANCHMSA-N 2 2 291.398 3.571 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1coc2ccccc12 ZINC000180123515 329211924 /nfs/dbraw/zinc/21/19/24/329211924.db2.gz SCRLROJGQOPTBZ-INIZCTEOSA-N 2 2 295.386 3.602 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1coc2ccccc12 ZINC000180123515 329211925 /nfs/dbraw/zinc/21/19/25/329211925.db2.gz SCRLROJGQOPTBZ-INIZCTEOSA-N 2 2 295.386 3.602 10 0 CHAELP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC000396715218 330224314 /nfs/dbraw/zinc/22/43/14/330224314.db2.gz RBOHUFNVNFINDO-CQDKDKBSSA-N 2 2 266.816 3.521 10 0 CHAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000250228593 333303569 /nfs/dbraw/zinc/30/35/69/333303569.db2.gz FUXJYNSWTXNADB-NVXWUHKLSA-N 2 2 290.451 3.609 10 0 CHAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(OC(C)C)cc2)C1 ZINC000250228593 333303571 /nfs/dbraw/zinc/30/35/71/333303571.db2.gz FUXJYNSWTXNADB-NVXWUHKLSA-N 2 2 290.451 3.609 10 0 CHAELP Cc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000037167088 333507018 /nfs/dbraw/zinc/50/70/18/333507018.db2.gz SCMCEIPEPDNOJJ-RDJZCZTQSA-N 2 2 262.441 3.622 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](C)Cc1ccccc1 ZINC000248604753 334308242 /nfs/dbraw/zinc/30/82/42/334308242.db2.gz VZJSEWPTPRLMAP-APWZRJJASA-N 2 2 297.446 3.535 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](C)Cc1ccccc1 ZINC000248604753 334308244 /nfs/dbraw/zinc/30/82/44/334308244.db2.gz VZJSEWPTPRLMAP-APWZRJJASA-N 2 2 297.446 3.535 10 0 CHAELP C[C@H]1CCCC[C@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050913 334356552 /nfs/dbraw/zinc/35/65/52/334356552.db2.gz GBXZDAWLVKIPKI-LSDHHAIUSA-N 2 2 285.435 3.674 10 0 CHAELP CCC[N@H+](CC)[C@@H](C[NH3+])c1csc2ccccc21 ZINC000054464013 521615118 /nfs/dbraw/zinc/61/51/18/521615118.db2.gz XYCHXYUPRNCMGB-AWEZNQCLSA-N 2 2 262.422 3.633 10 0 CHAELP CCC[N@@H+](CC)[C@@H](C[NH3+])c1csc2ccccc21 ZINC000054464013 521615124 /nfs/dbraw/zinc/61/51/24/521615124.db2.gz XYCHXYUPRNCMGB-AWEZNQCLSA-N 2 2 262.422 3.633 10 0 CHAELP CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062671514 519414923 /nfs/dbraw/zinc/41/49/23/519414923.db2.gz BXEJZZURRDLBAF-INIZCTEOSA-N 2 2 280.843 3.550 10 0 CHAELP CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062671514 519414928 /nfs/dbraw/zinc/41/49/28/519414928.db2.gz BXEJZZURRDLBAF-INIZCTEOSA-N 2 2 280.843 3.550 10 0 CHAELP CC(C)C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1Cl ZINC000052372035 519744127 /nfs/dbraw/zinc/74/41/27/519744127.db2.gz YNLFWOSQWGZRFX-CQSZACIVSA-N 2 2 282.859 3.796 10 0 CHAELP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1Cl ZINC000052372035 519744128 /nfs/dbraw/zinc/74/41/28/519744128.db2.gz YNLFWOSQWGZRFX-CQSZACIVSA-N 2 2 282.859 3.796 10 0 CHAELP CCCC1CC[NH+]([C@@H](C[NH3+])c2sccc2C)CC1 ZINC000050893074 519902641 /nfs/dbraw/zinc/90/26/41/519902641.db2.gz DTFZFWMNTPMADC-AWEZNQCLSA-N 2 2 266.454 3.568 10 0 CHAELP CC[NH2+]C[C@H](c1ccccc1)[N@H+](C)[C@@H](C)CC(C)C ZINC000052572133 519975709 /nfs/dbraw/zinc/97/57/09/519975709.db2.gz BQMNIOZHSZXZFS-DOTOQJQBSA-N 2 2 262.441 3.704 10 0 CHAELP CC[NH2+]C[C@H](c1ccccc1)[N@@H+](C)[C@@H](C)CC(C)C ZINC000052572133 519975713 /nfs/dbraw/zinc/97/57/13/519975713.db2.gz BQMNIOZHSZXZFS-DOTOQJQBSA-N 2 2 262.441 3.704 10 0 CHAELP CCC[C@@H](CC)[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CC)C2 ZINC000054602242 520678760 /nfs/dbraw/zinc/67/87/60/520678760.db2.gz FVHALOKKVCRAOP-VIYLOZMYSA-N 2 2 252.446 3.560 10 0 CHAELP CCC[C@@H](CC)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CC)C2 ZINC000054602242 520678766 /nfs/dbraw/zinc/67/87/66/520678766.db2.gz FVHALOKKVCRAOP-VIYLOZMYSA-N 2 2 252.446 3.560 10 0 CHAELP CC[N@H+]([C@@H](C[NH2+]CC(C)C)C(C)C)C1CCCC1 ZINC000052457547 521472255 /nfs/dbraw/zinc/47/22/55/521472255.db2.gz BCVCRGMTRFIXQR-INIZCTEOSA-N 2 2 254.462 3.521 10 0 CHAELP CC[N@@H+]([C@@H](C[NH2+]CC(C)C)C(C)C)C1CCCC1 ZINC000052457547 521472264 /nfs/dbraw/zinc/47/22/64/521472264.db2.gz BCVCRGMTRFIXQR-INIZCTEOSA-N 2 2 254.462 3.521 10 0 CHAELP CC[C@H](C[NH2+]C(C)(C)C)[N@H+](C)Cc1ccccc1C ZINC000052547040 522189359 /nfs/dbraw/zinc/18/93/59/522189359.db2.gz DDVNGPLLVRQHPX-MRXNPFEDSA-N 2 2 262.441 3.594 10 0 CHAELP CC[C@H](C[NH2+]C(C)(C)C)[N@@H+](C)Cc1ccccc1C ZINC000052547040 522189366 /nfs/dbraw/zinc/18/93/66/522189366.db2.gz DDVNGPLLVRQHPX-MRXNPFEDSA-N 2 2 262.441 3.594 10 0 CHAELP Cc1cccc(N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH+]1 ZINC000157773902 524698420 /nfs/dbraw/zinc/69/84/20/524698420.db2.gz CXLPCRAIAOTYJY-CQSZACIVSA-N 2 2 278.359 3.749 10 0 CHAELP C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)[NH+]1CCC(C)(C)CC1 ZINC000061818314 525016021 /nfs/dbraw/zinc/01/60/21/525016021.db2.gz YOWYOVALUWOSFZ-IUODEOHRSA-N 2 2 280.843 3.850 10 0 CHAELP CCOc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CCCCC2)cc1 ZINC000020226256 171091804 /nfs/dbraw/zinc/09/18/04/171091804.db2.gz RZOJSLJENHCKIX-GOSISDBHSA-N 2 2 290.451 3.597 10 0 CHAELP CCOc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CCCCC2)cc1 ZINC000020226256 171091805 /nfs/dbraw/zinc/09/18/05/171091805.db2.gz RZOJSLJENHCKIX-GOSISDBHSA-N 2 2 290.451 3.597 10 0 CHAELP CCCCCC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000020361813 171160220 /nfs/dbraw/zinc/16/02/20/171160220.db2.gz NOVKQSRPKYIWNL-SFHVURJKSA-N 2 2 274.452 3.993 10 0 CHAELP CCCC[NH+](CCCC)[C@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000020362692 171161588 /nfs/dbraw/zinc/16/15/88/171161588.db2.gz QTKWKJAEBOXCAF-HZPDHXFCSA-N 2 2 254.462 3.796 10 0 CHAELP CCCC[NH+](CCCC)[C@]1(C[NH3+])CCCC[C@@H]1C ZINC000020484884 171224796 /nfs/dbraw/zinc/22/47/96/171224796.db2.gz MCYQKOPHGAZTHE-HOTGVXAUSA-N 2 2 254.462 3.796 10 0 CHAELP CCCCCC[C@@](C)(C[NH3+])[NH+]1CCCCCCC1 ZINC000020520459 171233955 /nfs/dbraw/zinc/23/39/55/171233955.db2.gz BSBJUMSBIFXEIG-INIZCTEOSA-N 2 2 254.462 3.940 10 0 CHAELP CCC(CC)C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000021062635 171297512 /nfs/dbraw/zinc/29/75/12/171297512.db2.gz IXKDCOVTLPZJSK-GOSISDBHSA-N 2 2 274.452 3.849 10 0 CHAELP Cc1cc2[nH+]cn([C@@H]3CCCCCC[C@@H]3[NH3+])c2cc1C ZINC000021503195 171306330 /nfs/dbraw/zinc/30/63/30/171306330.db2.gz GSMOLNWKMXOKLS-GOEBONIOSA-N 2 2 271.408 3.876 10 0 CHAELP CCCC[N@H+](C)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1[NH3+] ZINC000021805929 171327516 /nfs/dbraw/zinc/32/75/16/171327516.db2.gz PJMYSKKNBDMNKX-SOUVJXGZSA-N 2 2 254.462 3.651 10 0 CHAELP CCCC[N@@H+](C)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1[NH3+] ZINC000021805929 171327517 /nfs/dbraw/zinc/32/75/17/171327517.db2.gz PJMYSKKNBDMNKX-SOUVJXGZSA-N 2 2 254.462 3.651 10 0 CHAELP CCC1CCC(C[NH3+])([N@H+](C)C2CCCCC2)CC1 ZINC000035176679 172029505 /nfs/dbraw/zinc/02/95/05/172029505.db2.gz VTPRNMKMRGPVNK-UHFFFAOYSA-N 2 2 252.446 3.549 10 0 CHAELP CCC1CCC(C[NH3+])([N@@H+](C)C2CCCCC2)CC1 ZINC000035176679 172029508 /nfs/dbraw/zinc/02/95/08/172029508.db2.gz VTPRNMKMRGPVNK-UHFFFAOYSA-N 2 2 252.446 3.549 10 0 CHAELP CCC1CCC(C[NH3+])([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000035176782 172030192 /nfs/dbraw/zinc/03/01/92/172030192.db2.gz SOTNKJOJAIMXAM-QLOLRVAOSA-N 2 2 278.484 3.796 10 0 CHAELP CCC1CCC(C[NH3+])([N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000035176782 172030194 /nfs/dbraw/zinc/03/01/94/172030194.db2.gz SOTNKJOJAIMXAM-QLOLRVAOSA-N 2 2 278.484 3.796 10 0 CHAELP CC(C)c1ccc([C@H]([NH3+])C[N@H+](C)Cc2ccccc2)cc1 ZINC000035206609 172051177 /nfs/dbraw/zinc/05/11/77/172051177.db2.gz GCZQQVBFVBQVGG-LJQANCHMSA-N 2 2 282.431 3.942 10 0 CHAELP CC(C)c1ccc([C@H]([NH3+])C[N@@H+](C)Cc2ccccc2)cc1 ZINC000035206609 172051178 /nfs/dbraw/zinc/05/11/78/172051178.db2.gz GCZQQVBFVBQVGG-LJQANCHMSA-N 2 2 282.431 3.942 10 0 CHAELP CCCCC1CCC([C@H](Cc2[nH]cc[nH+]2)[NH2+]C)CC1 ZINC000035503891 172237202 /nfs/dbraw/zinc/23/72/02/172237202.db2.gz AIBBWQYIKOJTCW-NRXISQOPSA-N 2 2 263.429 3.537 10 0 CHAELP CC[C@@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000037172626 173006597 /nfs/dbraw/zinc/00/65/97/173006597.db2.gz WHTIGWOYEGPSFB-PBHICJAKSA-N 2 2 262.441 3.788 10 0 CHAELP CC[C@@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000037172626 173006600 /nfs/dbraw/zinc/00/66/00/173006600.db2.gz WHTIGWOYEGPSFB-PBHICJAKSA-N 2 2 262.441 3.788 10 0 CHAELP CCCC[N@H+](C)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424813 173199320 /nfs/dbraw/zinc/19/93/20/173199320.db2.gz SLZHYEKWLHUPSZ-CYBMUJFWSA-N 2 2 275.223 3.725 10 0 CHAELP CCCC[N@@H+](C)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424813 173199323 /nfs/dbraw/zinc/19/93/23/173199323.db2.gz SLZHYEKWLHUPSZ-CYBMUJFWSA-N 2 2 275.223 3.725 10 0 CHAELP C[C@@H](C[NH2+][C@H]1CCCCc2ccccc21)[NH+]1CCCCC1 ZINC000038028452 174017383 /nfs/dbraw/zinc/01/73/83/174017383.db2.gz NTAWSZCQDQDCCD-LPHOPBHVSA-N 2 2 286.463 3.918 10 0 CHAELP CC(C)c1ccc([C@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000039142599 174164597 /nfs/dbraw/zinc/16/45/97/174164597.db2.gz COHHSDLBASTHGD-KRWDZBQOSA-N 2 2 260.425 3.542 10 0 CHAELP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1cccc(C)c1 ZINC000311338664 262237777 /nfs/dbraw/zinc/23/77/77/262237777.db2.gz JQQALIBXSJHDME-DLBZAZTESA-N 2 2 260.425 3.520 10 0 CHAELP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1cccc(C)c1 ZINC000311338664 262237778 /nfs/dbraw/zinc/23/77/78/262237778.db2.gz JQQALIBXSJHDME-DLBZAZTESA-N 2 2 260.425 3.520 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCCc1ccccc1 ZINC000187126050 329353671 /nfs/dbraw/zinc/35/36/71/329353671.db2.gz FLYSTLYNSDMRJB-IBGZPJMESA-N 2 2 297.446 3.679 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCCc1ccccc1 ZINC000187126050 329353672 /nfs/dbraw/zinc/35/36/72/329353672.db2.gz FLYSTLYNSDMRJB-IBGZPJMESA-N 2 2 297.446 3.679 10 0 CHAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000163347863 331024116 /nfs/dbraw/zinc/02/41/16/331024116.db2.gz FHVHVKQKZBQLJT-CHWSQXEVSA-N 2 2 282.394 3.673 10 0 CHAELP CCC[N@H+](Cc1ccc(C(C)(C)C)s1)[C@@H]1CC[NH2+]C1 ZINC000166172364 331306702 /nfs/dbraw/zinc/30/67/02/331306702.db2.gz RECOWKXUCGBVEY-CYBMUJFWSA-N 2 2 280.481 3.620 10 0 CHAELP CCC[N@@H+](Cc1ccc(C(C)(C)C)s1)[C@@H]1CC[NH2+]C1 ZINC000166172364 331306703 /nfs/dbraw/zinc/30/67/03/331306703.db2.gz RECOWKXUCGBVEY-CYBMUJFWSA-N 2 2 280.481 3.620 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](C)Cc1ccccc1 ZINC000248604754 334308294 /nfs/dbraw/zinc/30/82/94/334308294.db2.gz VZJSEWPTPRLMAP-VQIMIIECSA-N 2 2 297.446 3.535 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](C)Cc1ccccc1 ZINC000248604754 334308295 /nfs/dbraw/zinc/30/82/95/334308295.db2.gz VZJSEWPTPRLMAP-VQIMIIECSA-N 2 2 297.446 3.535 10 0 CHAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccccc1 ZINC000381095407 336049752 /nfs/dbraw/zinc/04/97/52/336049752.db2.gz YCHPEDQVSZUFRS-IRXDYDNUSA-N 2 2 282.431 3.858 10 0 CHAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)c1ccccc1 ZINC000381095407 336049754 /nfs/dbraw/zinc/04/97/54/336049754.db2.gz YCHPEDQVSZUFRS-IRXDYDNUSA-N 2 2 282.431 3.858 10 0 CHAELP CC(C)CC(CC(C)C)[NH2+][C@H](C[NH+](C)C)C(C)C ZINC000049197268 519618952 /nfs/dbraw/zinc/61/89/52/519618952.db2.gz JTZCMGOITDOLJR-MRXNPFEDSA-N 2 2 256.478 3.623 10 0 CHAELP CC(C)C[NH+](CC(C)C)[C@H](C[NH2+]C(C)C)C(C)C ZINC000052484801 519713567 /nfs/dbraw/zinc/71/35/67/519713567.db2.gz TZDJYGWRWKXAOY-MRXNPFEDSA-N 2 2 256.478 3.623 10 0 CHAELP CCC[NH2+][C@H]1CC[N@@H+]([C@@H](c2cccs2)C(C)C)C1 ZINC000049557875 520094888 /nfs/dbraw/zinc/09/48/88/520094888.db2.gz ZXWRCYDLJHQVHB-DZGCQCFKSA-N 2 2 266.454 3.519 10 0 CHAELP CCC[NH2+][C@H]1CC[N@H+]([C@@H](c2cccs2)C(C)C)C1 ZINC000049557875 520094894 /nfs/dbraw/zinc/09/48/94/520094894.db2.gz ZXWRCYDLJHQVHB-DZGCQCFKSA-N 2 2 266.454 3.519 10 0 CHAELP CCC[NH+](CCC)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052416897 521649975 /nfs/dbraw/zinc/64/99/75/521649975.db2.gz KRVZNMWDQLQEET-KRWDZBQOSA-N 2 2 260.425 3.602 10 0 CHAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+](C)[C@@H](C)CC(C)C ZINC000050579087 525001788 /nfs/dbraw/zinc/00/17/88/525001788.db2.gz DEHOEOGBVSZYPU-XJKSGUPXSA-N 2 2 266.404 3.500 10 0 CHAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+](C)[C@@H](C)CC(C)C ZINC000050579087 525001798 /nfs/dbraw/zinc/00/17/98/525001798.db2.gz DEHOEOGBVSZYPU-XJKSGUPXSA-N 2 2 266.404 3.500 10 0 CHAELP C[N@H+](CC1CCCCC1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226034 171089643 /nfs/dbraw/zinc/08/96/43/171089643.db2.gz UTHCHGCVCOTXQR-INIZCTEOSA-N 2 2 280.843 3.852 10 0 CHAELP C[N@@H+](CC1CCCCC1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226034 171089646 /nfs/dbraw/zinc/08/96/46/171089646.db2.gz UTHCHGCVCOTXQR-INIZCTEOSA-N 2 2 280.843 3.852 10 0 CHAELP CC[C@H](C)C[NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC ZINC000021012553 171288176 /nfs/dbraw/zinc/28/81/76/171288176.db2.gz CHXSPNUEKREPTK-RDJZCZTQSA-N 2 2 262.441 3.705 10 0 CHAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021015594 171289551 /nfs/dbraw/zinc/28/95/51/171289551.db2.gz YDNHKERSBNOVPF-YLFCFFPRSA-N 2 2 266.473 3.521 10 0 CHAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021015594 171289553 /nfs/dbraw/zinc/28/95/53/171289553.db2.gz YDNHKERSBNOVPF-YLFCFFPRSA-N 2 2 266.473 3.521 10 0 CHAELP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)C1 ZINC000021789945 171323490 /nfs/dbraw/zinc/32/34/90/171323490.db2.gz DCKJSZFBAUSGMP-KVFOQLRZSA-N 2 2 290.495 3.508 10 0 CHAELP CCC[NH+](CCC)[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000021814648 171331775 /nfs/dbraw/zinc/33/17/75/171331775.db2.gz MZCIELJBAXKSPV-BZSNNMDCSA-N 2 2 274.452 3.772 10 0 CHAELP CCCC[N@H+](CC)[C@@H](C[NH3+])c1c(C)cc(C)cc1C ZINC000022150058 171358298 /nfs/dbraw/zinc/35/82/98/171358298.db2.gz NPRYEGVBSAOVDD-INIZCTEOSA-N 2 2 262.441 3.734 10 0 CHAELP CCCC[N@@H+](CC)[C@@H](C[NH3+])c1c(C)cc(C)cc1C ZINC000022150058 171358299 /nfs/dbraw/zinc/35/82/99/171358299.db2.gz NPRYEGVBSAOVDD-INIZCTEOSA-N 2 2 262.441 3.734 10 0 CHAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(Cl)cc(Cl)c1 ZINC000035570442 172266111 /nfs/dbraw/zinc/26/61/11/172266111.db2.gz QKOVHPBYHDLSMD-GFCCVEGCSA-N 2 2 284.190 3.610 10 0 CHAELP Cc1cccc([C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C)c1 ZINC000037321602 173121615 /nfs/dbraw/zinc/12/16/15/173121615.db2.gz LAUBXVYCDGMSQU-DOTOQJQBSA-N 2 2 262.441 3.622 10 0 CHAELP CC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])c1ccc(C)s1 ZINC000037328324 173128427 /nfs/dbraw/zinc/12/84/27/173128427.db2.gz HSPRYMQONBUVPL-HNNXBMFYSA-N 2 2 274.433 3.578 10 0 CHAELP CC[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])c1ccc(C)s1 ZINC000037328324 173128430 /nfs/dbraw/zinc/12/84/30/173128430.db2.gz HSPRYMQONBUVPL-HNNXBMFYSA-N 2 2 274.433 3.578 10 0 CHAELP CC[N@H+](C(C)C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424863 173199097 /nfs/dbraw/zinc/19/90/97/173199097.db2.gz NFBMIRWYJNWNHA-ZDUSSCGKSA-N 2 2 275.223 3.724 10 0 CHAELP CC[N@@H+](C(C)C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424863 173199100 /nfs/dbraw/zinc/19/91/00/173199100.db2.gz NFBMIRWYJNWNHA-ZDUSSCGKSA-N 2 2 275.223 3.724 10 0 CHAELP Cc1ccc2c(c1)[nH+]c(CCCCC[NH3+])n2C(C)C ZINC000037438437 173208522 /nfs/dbraw/zinc/20/85/22/173208522.db2.gz KICIZYSXJHVUGP-UHFFFAOYSA-N 2 2 259.397 3.597 10 0 CHAELP CC(C)n1c(CCCCC[NH3+])[nH+]c2cccc(Cl)c21 ZINC000037444223 173211819 /nfs/dbraw/zinc/21/18/19/173211819.db2.gz UPBKHGRZRNSYPW-UHFFFAOYSA-N 2 2 279.815 3.942 10 0 CHAELP CCC[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000038028174 174015959 /nfs/dbraw/zinc/01/59/59/174015959.db2.gz FQZLXLGZBFHYGO-FUHWJXTLSA-N 2 2 274.452 3.992 10 0 CHAELP C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000039789083 174173194 /nfs/dbraw/zinc/17/31/94/174173194.db2.gz MVJRDXHZOPQSGC-ZOWXZIJZSA-N 2 2 266.816 3.603 10 0 CHAELP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000039789083 174173196 /nfs/dbraw/zinc/17/31/96/174173196.db2.gz MVJRDXHZOPQSGC-ZOWXZIJZSA-N 2 2 266.816 3.603 10 0 CHAELP CC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)c1ccc(OC)cc1 ZINC000037166866 260072099 /nfs/dbraw/zinc/07/20/99/260072099.db2.gz GIVHHHNNCSFIER-FUHWJXTLSA-N 2 2 292.467 3.712 10 0 CHAELP Cc1ccccc1[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000176539639 261294870 /nfs/dbraw/zinc/29/48/70/261294870.db2.gz IUWIHZMKTREOOD-IBGZPJMESA-N 2 2 291.398 3.571 10 0 CHAELP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC000396715219 330224400 /nfs/dbraw/zinc/22/44/00/330224400.db2.gz RBOHUFNVNFINDO-TUKIKUTGSA-N 2 2 266.816 3.521 10 0 CHAELP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000087761856 330374213 /nfs/dbraw/zinc/37/42/13/330374213.db2.gz FFWJWGIXSFFLAF-ZDUSSCGKSA-N 2 2 287.234 3.697 10 0 CHAELP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000087761856 330374214 /nfs/dbraw/zinc/37/42/14/330374214.db2.gz FFWJWGIXSFFLAF-ZDUSSCGKSA-N 2 2 287.234 3.697 10 0 CHAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCc2ccccc21 ZINC000309724471 333048182 /nfs/dbraw/zinc/04/81/82/333048182.db2.gz NBSJFXNUMOBMGB-OXJNMPFZSA-N 2 2 294.442 3.784 10 0 CHAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCc2ccccc21 ZINC000309724471 333048183 /nfs/dbraw/zinc/04/81/83/333048183.db2.gz NBSJFXNUMOBMGB-OXJNMPFZSA-N 2 2 294.442 3.784 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCCc2ccccc21 ZINC000178331740 333071153 /nfs/dbraw/zinc/07/11/53/333071153.db2.gz UCSOVEJYWLKGAN-PKOBYXMFSA-N 2 2 295.430 3.734 10 0 CHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCCc2ccccc21 ZINC000178331740 333071154 /nfs/dbraw/zinc/07/11/54/333071154.db2.gz UCSOVEJYWLKGAN-PKOBYXMFSA-N 2 2 295.430 3.734 10 0 CHAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1cccs1 ZINC000247150808 334276470 /nfs/dbraw/zinc/27/64/70/334276470.db2.gz SXTQTFGMVAFVDQ-HZSPNIEDSA-N 2 2 266.454 3.518 10 0 CHAELP CC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C)c1cccs1 ZINC000247150808 334276472 /nfs/dbraw/zinc/27/64/72/334276472.db2.gz SXTQTFGMVAFVDQ-HZSPNIEDSA-N 2 2 266.454 3.518 10 0 CHAELP CC(C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000053655275 519725113 /nfs/dbraw/zinc/72/51/13/519725113.db2.gz NXIXKRDUIWGFMA-OAHLLOKOSA-N 2 2 280.843 3.550 10 0 CHAELP CC(C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000053655275 519725116 /nfs/dbraw/zinc/72/51/16/519725116.db2.gz NXIXKRDUIWGFMA-OAHLLOKOSA-N 2 2 280.843 3.550 10 0 CHAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCCC1 ZINC000054601941 519910275 /nfs/dbraw/zinc/91/02/75/519910275.db2.gz LVLOUSPZFFOTQQ-ZXFUBFMLSA-N 2 2 264.457 3.704 10 0 CHAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCCC1 ZINC000054601941 519910278 /nfs/dbraw/zinc/91/02/78/519910278.db2.gz LVLOUSPZFFOTQQ-ZXFUBFMLSA-N 2 2 264.457 3.704 10 0 CHAELP CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151673338 519792493 /nfs/dbraw/zinc/79/24/93/519792493.db2.gz HLBZYAONLODOGM-KGLIPLIRSA-N 2 2 257.381 3.567 10 0 CHAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000049196462 519814824 /nfs/dbraw/zinc/81/48/24/519814824.db2.gz ZSJADYXZZYAUBF-WFASDCNBSA-N 2 2 268.832 3.577 10 0 CHAELP CC[NH2+]C[C@H](C(C)C)[N@H+](C)C1CCC(CC)CC1 ZINC000052345510 519957895 /nfs/dbraw/zinc/95/78/95/519957895.db2.gz KAGMGHLNGXQMJO-UYSNPLJNSA-N 2 2 254.462 3.521 10 0 CHAELP CC[NH2+]C[C@H](C(C)C)[N@@H+](C)C1CCC(CC)CC1 ZINC000052345510 519957901 /nfs/dbraw/zinc/95/79/01/519957901.db2.gz KAGMGHLNGXQMJO-UYSNPLJNSA-N 2 2 254.462 3.521 10 0 CHAELP CCC[N@H+](CC1CC1)[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052514322 521626705 /nfs/dbraw/zinc/62/67/05/521626705.db2.gz HCHFWAMYMIZERI-HNNXBMFYSA-N 2 2 254.462 3.521 10 0 CHAELP CCC[N@@H+](CC1CC1)[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052514322 521626708 /nfs/dbraw/zinc/62/67/08/521626708.db2.gz HCHFWAMYMIZERI-HNNXBMFYSA-N 2 2 254.462 3.521 10 0 CHAELP CC[C@@H](C)C[C@](CC)(C[NH3+])[NH+]1Cc2ccccc2C1 ZINC000050910691 522027197 /nfs/dbraw/zinc/02/71/97/522027197.db2.gz SPTWBYOMVXNMBS-RHSMWYFYSA-N 2 2 260.425 3.546 10 0 CHAELP C[C@H](C[NH2+]C(C)(C)C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000052507932 524478737 /nfs/dbraw/zinc/47/87/37/524478737.db2.gz MUSYSDWPUKADJV-GFCCVEGCSA-N 2 2 268.832 3.548 10 0 CHAELP C[C@H](C[NH2+]C(C)(C)C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052507932 524478744 /nfs/dbraw/zinc/47/87/44/524478744.db2.gz MUSYSDWPUKADJV-GFCCVEGCSA-N 2 2 268.832 3.548 10 0 CHAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccncc1 ZINC000156721397 525663483 /nfs/dbraw/zinc/66/34/83/525663483.db2.gz SHHPBHCSTPTKMG-HUUCEWRRSA-N 2 2 292.386 3.679 10 0 CHAELP CCc1ccc([C@H](C[NH3+])[N@H+](C)Cc2ccccc2C)cc1 ZINC000020225701 171088398 /nfs/dbraw/zinc/08/83/98/171088398.db2.gz WZIAQWICSYTKIB-IBGZPJMESA-N 2 2 282.431 3.689 10 0 CHAELP CCc1ccc([C@H](C[NH3+])[N@@H+](C)Cc2ccccc2C)cc1 ZINC000020225701 171088402 /nfs/dbraw/zinc/08/84/02/171088402.db2.gz WZIAQWICSYTKIB-IBGZPJMESA-N 2 2 282.431 3.689 10 0 CHAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000020225500 171088914 /nfs/dbraw/zinc/08/89/14/171088914.db2.gz VFRYCFKELJPSQR-KRWDZBQOSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000020225500 171088915 /nfs/dbraw/zinc/08/89/15/171088915.db2.gz VFRYCFKELJPSQR-KRWDZBQOSA-N 2 2 288.822 3.780 10 0 CHAELP CCCC[NH+](CCCC)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000020484802 171224625 /nfs/dbraw/zinc/22/46/25/171224625.db2.gz YGBNWBSVURBWAB-INIZCTEOSA-N 2 2 266.404 3.728 10 0 CHAELP CC[C@H](C)C[C@](CC)(C[NH3+])[NH+]1CCCCCCC1 ZINC000020547511 171244884 /nfs/dbraw/zinc/24/48/84/171244884.db2.gz NIRTYKCJZBTQFD-JKSUJKDBSA-N 2 2 254.462 3.796 10 0 CHAELP CC[NH+](CC)[C@@H](c1ccccc1)[C@H]([NH3+])Cc1ccccc1 ZINC000021013694 171288894 /nfs/dbraw/zinc/28/88/94/171288894.db2.gz AVAKWBHVJIRYDX-MOPGFXCFSA-N 2 2 282.431 3.640 10 0 CHAELP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000021789456 171323444 /nfs/dbraw/zinc/32/34/44/171323444.db2.gz HMYRWLFNLCMUFA-CYBMUJFWSA-N 2 2 298.833 3.833 10 0 CHAELP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000021789456 171323446 /nfs/dbraw/zinc/32/34/46/171323446.db2.gz HMYRWLFNLCMUFA-CYBMUJFWSA-N 2 2 298.833 3.833 10 0 CHAELP CC[NH+](CC)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000021790793 171323779 /nfs/dbraw/zinc/32/37/79/171323779.db2.gz APHPNMVFWDKXPT-LSDHHAIUSA-N 2 2 254.462 3.523 10 0 CHAELP CC[N@H+](C1CCCCC1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000035219754 172060320 /nfs/dbraw/zinc/06/03/20/172060320.db2.gz ZTLBWBQASYOHHQ-HOTGVXAUSA-N 2 2 252.446 3.691 10 0 CHAELP CC[N@@H+](C1CCCCC1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000035219754 172060322 /nfs/dbraw/zinc/06/03/22/172060322.db2.gz ZTLBWBQASYOHHQ-HOTGVXAUSA-N 2 2 252.446 3.691 10 0 CHAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1cc(Cl)ccc1Cl ZINC000035586670 172285667 /nfs/dbraw/zinc/28/56/67/172285667.db2.gz IIYJLGGIMQUUBI-CYBMUJFWSA-N 2 2 298.217 4.000 10 0 CHAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cccc(Cl)c1Cl ZINC000035586653 172285900 /nfs/dbraw/zinc/28/59/00/172285900.db2.gz MEXBNJHZTPDWEX-LBPRGKRZSA-N 2 2 298.217 4.000 10 0 CHAELP CC[C@H](C)C[N@H+](C)[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000037172627 173006745 /nfs/dbraw/zinc/00/67/45/173006745.db2.gz WHTIGWOYEGPSFB-YOEHRIQHSA-N 2 2 262.441 3.788 10 0 CHAELP CC[C@H](C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000037172627 173006747 /nfs/dbraw/zinc/00/67/47/173006747.db2.gz WHTIGWOYEGPSFB-YOEHRIQHSA-N 2 2 262.441 3.788 10 0 CHAELP Cc1cccc([C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C)c1 ZINC000037321601 173122309 /nfs/dbraw/zinc/12/23/09/173122309.db2.gz LAUBXVYCDGMSQU-NVXWUHKLSA-N 2 2 262.441 3.622 10 0 CHAELP C[C@@H]1CCC[C@H](C)[N@H+]1[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000039789091 174173783 /nfs/dbraw/zinc/17/37/83/174173783.db2.gz CYEXQBGPLAYRKC-TYNCELHUSA-N 2 2 266.816 3.603 10 0 CHAELP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000039789091 174173785 /nfs/dbraw/zinc/17/37/85/174173785.db2.gz CYEXQBGPLAYRKC-TYNCELHUSA-N 2 2 266.816 3.603 10 0 CHAELP CCCC[NH+](CCCC)c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000044461533 175177781 /nfs/dbraw/zinc/17/77/81/175177781.db2.gz IJWXITLYBIYDII-OAHLLOKOSA-N 2 2 262.441 3.983 10 0 CHAELP CC[C@H]1CC[C@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)C1 ZINC000078005396 260167940 /nfs/dbraw/zinc/16/79/40/260167940.db2.gz OHFBAEFTXBLBBG-GJZGRUSLSA-N 2 2 271.408 3.513 10 0 CHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000106212092 261322648 /nfs/dbraw/zinc/32/26/48/261322648.db2.gz YSAJOQBJIQYWKO-MRXNPFEDSA-N 2 2 275.440 3.663 10 0 CHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000106212092 261322650 /nfs/dbraw/zinc/32/26/50/261322650.db2.gz YSAJOQBJIQYWKO-MRXNPFEDSA-N 2 2 275.440 3.663 10 0 CHAELP CC[C@@H](C)[C@@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050548 327176565 /nfs/dbraw/zinc/17/65/65/327176565.db2.gz QNEVUMBFCPKVIM-ZIAGYGMSSA-N 2 2 273.424 3.530 10 0 CHAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000250193414 333303336 /nfs/dbraw/zinc/30/33/36/333303336.db2.gz AOIHPTYWWVGULO-VKJFTORMSA-N 2 2 272.436 3.699 10 0 CHAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000250193414 333303338 /nfs/dbraw/zinc/30/33/38/333303338.db2.gz AOIHPTYWWVGULO-VKJFTORMSA-N 2 2 272.436 3.699 10 0 CHAELP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246095253 334231279 /nfs/dbraw/zinc/23/12/79/334231279.db2.gz GWRNHEXIQOGCNH-WMZOPIPTSA-N 2 2 295.430 3.967 10 0 CHAELP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246095253 334231280 /nfs/dbraw/zinc/23/12/80/334231280.db2.gz GWRNHEXIQOGCNH-WMZOPIPTSA-N 2 2 295.430 3.967 10 0 CHAELP C[C@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)C1CCCC1 ZINC000090050322 334356372 /nfs/dbraw/zinc/35/63/72/334356372.db2.gz FNXJGUMROIQAEZ-AWEZNQCLSA-N 2 2 285.435 3.674 10 0 CHAELP CCC[C@H]([NH2+]CC)[C@H](CC)[NH+]1Cc2ccccc2C1 ZINC000050911070 521157581 /nfs/dbraw/zinc/15/75/81/521157581.db2.gz FGOWAZPUXVFHLW-IRXDYDNUSA-N 2 2 260.425 3.559 10 0 CHAELP CC[N@H+]([C@@H](C[NH2+]C(C)(C)C)C(C)C)C1CCCC1 ZINC000052457544 521471666 /nfs/dbraw/zinc/47/16/66/521471666.db2.gz OAPSMXKQHNRTRO-HNNXBMFYSA-N 2 2 254.462 3.664 10 0 CHAELP CC[N@@H+]([C@@H](C[NH2+]C(C)(C)C)C(C)C)C1CCCC1 ZINC000052457544 521471671 /nfs/dbraw/zinc/47/16/71/521471671.db2.gz OAPSMXKQHNRTRO-HNNXBMFYSA-N 2 2 254.462 3.664 10 0 CHAELP CC[C@@H](C)[N@H+](CC)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052458356 522085749 /nfs/dbraw/zinc/08/57/49/522085749.db2.gz BONCEONOIKEYPL-PBHICJAKSA-N 2 2 260.425 3.600 10 0 CHAELP CC[C@@H](C)[N@@H+](CC)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052458356 522085761 /nfs/dbraw/zinc/08/57/61/522085761.db2.gz BONCEONOIKEYPL-PBHICJAKSA-N 2 2 260.425 3.600 10 0 CHAELP CC(C)C[C@H]1C[N@H+](Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062671512 519414735 /nfs/dbraw/zinc/41/47/35/519414735.db2.gz ZDCHDFBZPSVELH-INIZCTEOSA-N 2 2 280.843 3.550 10 0 CHAELP CC(C)C[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062671512 519414742 /nfs/dbraw/zinc/41/47/42/519414742.db2.gz ZDCHDFBZPSVELH-INIZCTEOSA-N 2 2 280.843 3.550 10 0 CHAELP CCC[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000052508822 519920073 /nfs/dbraw/zinc/92/00/73/519920073.db2.gz SKCBODJDDMLZBN-ZDUSSCGKSA-N 2 2 288.888 3.858 10 0 CHAELP CCC[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000052508822 519920079 /nfs/dbraw/zinc/92/00/79/519920079.db2.gz SKCBODJDDMLZBN-ZDUSSCGKSA-N 2 2 288.888 3.858 10 0 CHAELP CCCC[N@H+](CC)[C@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052418870 520481098 /nfs/dbraw/zinc/48/10/98/520481098.db2.gz TXWKHPYJGCRVCS-QGZVFWFLSA-N 2 2 260.425 3.602 10 0 CHAELP CCCC[N@@H+](CC)[C@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052418870 520481105 /nfs/dbraw/zinc/48/11/05/520481105.db2.gz TXWKHPYJGCRVCS-QGZVFWFLSA-N 2 2 260.425 3.602 10 0 CHAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[NH+]1Cc2ccccc2C1 ZINC000050911068 521155982 /nfs/dbraw/zinc/15/59/82/521155982.db2.gz FGOWAZPUXVFHLW-DLBZAZTESA-N 2 2 260.425 3.559 10 0 CHAELP CCc1ccc([N@H+](C)CCC[C@H]2CCCC[NH2+]2)cc1 ZINC000050954181 523957870 /nfs/dbraw/zinc/95/78/70/523957870.db2.gz JQKMFMDTMDPSCC-MRXNPFEDSA-N 2 2 260.425 3.608 10 0 CHAELP CCc1ccc([N@@H+](C)CCC[C@H]2CCCC[NH2+]2)cc1 ZINC000050954181 523957875 /nfs/dbraw/zinc/95/78/75/523957875.db2.gz JQKMFMDTMDPSCC-MRXNPFEDSA-N 2 2 260.425 3.608 10 0 CHAELP Cc1cccc(N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH+]1 ZINC000157773751 524695123 /nfs/dbraw/zinc/69/51/23/524695123.db2.gz CXLPCRAIAOTYJY-AWEZNQCLSA-N 2 2 278.359 3.749 10 0 CHAELP CCc1ccc([C@@H](C[NH3+])[N@H+](C)Cc2cccc(C)c2)cc1 ZINC000020225702 171087914 /nfs/dbraw/zinc/08/79/14/171087914.db2.gz DKNAIAVISPAOMX-LJQANCHMSA-N 2 2 282.431 3.689 10 0 CHAELP CCc1ccc([C@@H](C[NH3+])[N@@H+](C)Cc2cccc(C)c2)cc1 ZINC000020225702 171087917 /nfs/dbraw/zinc/08/79/17/171087917.db2.gz DKNAIAVISPAOMX-LJQANCHMSA-N 2 2 282.431 3.689 10 0 CHAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](C)Cc1cccc(Cl)c1 ZINC000020225444 171088736 /nfs/dbraw/zinc/08/87/36/171088736.db2.gz WRLTUAAVCUWMPQ-KRWDZBQOSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](C)Cc1cccc(Cl)c1 ZINC000020225444 171088739 /nfs/dbraw/zinc/08/87/39/171088739.db2.gz WRLTUAAVCUWMPQ-KRWDZBQOSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1ccccc1C[N@@H+](C)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225949 171090610 /nfs/dbraw/zinc/09/06/10/171090610.db2.gz NLRXISPTBKCXTQ-QGZVFWFLSA-N 2 2 288.822 3.780 10 0 CHAELP Cc1ccccc1C[N@H+](C)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225949 171090613 /nfs/dbraw/zinc/09/06/13/171090613.db2.gz NLRXISPTBKCXTQ-QGZVFWFLSA-N 2 2 288.822 3.780 10 0 CHAELP C[N@H+](CC1CCCCC1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225984 171090634 /nfs/dbraw/zinc/09/06/34/171090634.db2.gz DRFNHMRCBKNXJY-INIZCTEOSA-N 2 2 280.843 3.852 10 0 CHAELP C[N@@H+](CC1CCCCC1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225984 171090636 /nfs/dbraw/zinc/09/06/36/171090636.db2.gz DRFNHMRCBKNXJY-INIZCTEOSA-N 2 2 280.843 3.852 10 0 CHAELP CCCCCC[C@](C)(C[NH3+])[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020362592 171161665 /nfs/dbraw/zinc/16/16/65/171161665.db2.gz RTVIDVMNVCVMHZ-BZUAXINKSA-N 2 2 254.462 3.652 10 0 CHAELP CCCC[NH+](CCCC)[C@H](C[NH3+])c1ccccc1OC ZINC000020484727 171224717 /nfs/dbraw/zinc/22/47/17/171224717.db2.gz XVZHBFJZMGVWQL-MRXNPFEDSA-N 2 2 278.440 3.597 10 0 CHAELP CCCCCC[C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020520388 171233951 /nfs/dbraw/zinc/23/39/51/171233951.db2.gz OEDQUNDXYXCEBD-JKSUJKDBSA-N 2 2 256.478 3.911 10 0 CHAELP [NH3+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1[NH+]1CCCCCC1 ZINC000021039148 171293018 /nfs/dbraw/zinc/29/30/18/171293018.db2.gz HRTQGENBYQAFPX-SQNIBIBYSA-N 2 2 272.436 3.526 10 0 CHAELP [NH3+]CC1([NH+]2CCCCCC2)CCC(c2ccccc2)CC1 ZINC000021500252 171304895 /nfs/dbraw/zinc/30/48/95/171304895.db2.gz YVMBDTXOLZDMHY-UHFFFAOYSA-N 2 2 286.463 3.918 10 0 CHAELP Cc1cc2[nH+]cn([C@H]3CCCCCC[C@H]3[NH3+])c2cc1C ZINC000021503201 171306141 /nfs/dbraw/zinc/30/61/41/171306141.db2.gz GSMOLNWKMXOKLS-ZBFHGGJFSA-N 2 2 271.408 3.876 10 0 CHAELP [NH3+]C[C@H](c1cccc(Oc2ccccc2)c1)[NH+]1CCCC1 ZINC000022222496 171378887 /nfs/dbraw/zinc/37/88/87/171378887.db2.gz BULAYWCURDGQST-GOSISDBHSA-N 2 2 282.387 3.575 10 0 CHAELP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])([N@H+](C)C2CCCCC2)C1 ZINC000035176641 172028984 /nfs/dbraw/zinc/02/89/84/172028984.db2.gz VGXPGIUBORNBEI-PBHICJAKSA-N 2 2 266.473 3.795 10 0 CHAELP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])([N@@H+](C)C2CCCCC2)C1 ZINC000035176641 172028987 /nfs/dbraw/zinc/02/89/87/172028987.db2.gz VGXPGIUBORNBEI-PBHICJAKSA-N 2 2 266.473 3.795 10 0 CHAELP CC[C@H](C)C[C@](CC)(C[NH3+])[N@H+](C)C1CCCCC1 ZINC000035176677 172029095 /nfs/dbraw/zinc/02/90/95/172029095.db2.gz SLMUWJJFZOUCLE-GOEBONIOSA-N 2 2 254.462 3.795 10 0 CHAELP CC[C@H](C)C[C@](CC)(C[NH3+])[N@@H+](C)C1CCCCC1 ZINC000035176677 172029097 /nfs/dbraw/zinc/02/90/97/172029097.db2.gz SLMUWJJFZOUCLE-GOEBONIOSA-N 2 2 254.462 3.795 10 0 CHAELP CC[C@@H](C)C[C@](CC)(C[NH3+])[N@H+](C)C1CCCCC1 ZINC000035176675 172029497 /nfs/dbraw/zinc/02/94/97/172029497.db2.gz SLMUWJJFZOUCLE-GDBMZVCRSA-N 2 2 254.462 3.795 10 0 CHAELP CC[C@@H](C)C[C@](CC)(C[NH3+])[N@@H+](C)C1CCCCC1 ZINC000035176675 172029499 /nfs/dbraw/zinc/02/94/99/172029499.db2.gz SLMUWJJFZOUCLE-GDBMZVCRSA-N 2 2 254.462 3.795 10 0 CHAELP C[C@@H]1CC(C)(C)C[C@](C[NH3+])([N@H+](C)C2CCCCC2)C1 ZINC000035176644 172029615 /nfs/dbraw/zinc/02/96/15/172029615.db2.gz VGXPGIUBORNBEI-RHSMWYFYSA-N 2 2 266.473 3.795 10 0 CHAELP C[C@@H]1CC(C)(C)C[C@](C[NH3+])([N@@H+](C)C2CCCCC2)C1 ZINC000035176644 172029616 /nfs/dbraw/zinc/02/96/16/172029616.db2.gz VGXPGIUBORNBEI-RHSMWYFYSA-N 2 2 266.473 3.795 10 0 CHAELP CCC1CCC(C[NH3+])([N@H+](CC)C2CCCCC2)CC1 ZINC000035176736 172029900 /nfs/dbraw/zinc/02/99/00/172029900.db2.gz NJDGCSNGJKLEJZ-UHFFFAOYSA-N 2 2 266.473 3.939 10 0 CHAELP CCC1CCC(C[NH3+])([N@@H+](CC)C2CCCCC2)CC1 ZINC000035176736 172029904 /nfs/dbraw/zinc/02/99/04/172029904.db2.gz NJDGCSNGJKLEJZ-UHFFFAOYSA-N 2 2 266.473 3.939 10 0 CHAELP CCCCC1CCC([C@@H](Cc2[nH]cc[nH+]2)[NH2+]C)CC1 ZINC000035503888 172237224 /nfs/dbraw/zinc/23/72/24/172237224.db2.gz AIBBWQYIKOJTCW-YMAMQOFZSA-N 2 2 263.429 3.537 10 0 CHAELP CCCCCC[C@@](C)(C[NH3+])[N@H+](C)Cc1ccsc1 ZINC000035718996 172373108 /nfs/dbraw/zinc/37/31/08/172373108.db2.gz KUBMLDUTSWTTBB-HNNXBMFYSA-N 2 2 268.470 3.868 10 0 CHAELP CCCCCC[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccsc1 ZINC000035718996 172373111 /nfs/dbraw/zinc/37/31/11/172373111.db2.gz KUBMLDUTSWTTBB-HNNXBMFYSA-N 2 2 268.470 3.868 10 0 CHAELP CC[C@@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000037167192 173001446 /nfs/dbraw/zinc/00/14/46/173001446.db2.gz UCUOVVDWDPSOIU-IAGOWNOFSA-N 2 2 262.441 3.704 10 0 CHAELP CC[C@H](C)C[N@H+](C)C1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000037172719 173006259 /nfs/dbraw/zinc/00/62/59/173006259.db2.gz ASPPGBDOVGVFDC-UQPPLGOBSA-N 2 2 268.489 3.898 10 0 CHAELP CC[C@H](C)C[N@@H+](C)C1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000037172719 173006261 /nfs/dbraw/zinc/00/62/61/173006261.db2.gz ASPPGBDOVGVFDC-UQPPLGOBSA-N 2 2 268.489 3.898 10 0 CHAELP CCCn1c2ccccc2[nH+]c1CCCCCC[NH3+] ZINC000037323597 173123938 /nfs/dbraw/zinc/12/39/38/173123938.db2.gz CAVKHVDYJQNXPF-UHFFFAOYSA-N 2 2 259.397 3.508 10 0 CHAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000038983689 174160944 /nfs/dbraw/zinc/16/09/44/174160944.db2.gz MKJPQUJUXGGAKZ-KRWDZBQOSA-N 2 2 278.440 3.596 10 0 CHAELP C[C@@H]1C[C@H](C)C[N@H+]([C@H](C[NH3+])c2ccc(C(C)(C)C)cc2)C1 ZINC000039789051 174173420 /nfs/dbraw/zinc/17/34/20/174173420.db2.gz RWOPBQVSYOELFC-RVKKMQEKSA-N 2 2 288.479 3.962 10 0 CHAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C[NH3+])c2ccc(C(C)(C)C)cc2)C1 ZINC000039789051 174173421 /nfs/dbraw/zinc/17/34/21/174173421.db2.gz RWOPBQVSYOELFC-RVKKMQEKSA-N 2 2 288.479 3.962 10 0 CHAELP CC[C@@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)c1ccc(OC)cc1 ZINC000037166868 260072217 /nfs/dbraw/zinc/07/22/17/260072217.db2.gz GIVHHHNNCSFIER-SJLPKXTDSA-N 2 2 292.467 3.712 10 0 CHAELP CCC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000040502443 260284950 /nfs/dbraw/zinc/28/49/50/260284950.db2.gz MWAOEJKESMXXMS-IRXDYDNUSA-N 2 2 260.425 3.602 10 0 CHAELP CCC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000040502443 260284952 /nfs/dbraw/zinc/28/49/52/260284952.db2.gz MWAOEJKESMXXMS-IRXDYDNUSA-N 2 2 260.425 3.602 10 0 CHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000106214408 261323840 /nfs/dbraw/zinc/32/38/40/261323840.db2.gz KYWIGKLRAXRZCB-GOSISDBHSA-N 2 2 297.446 3.715 10 0 CHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000106214408 261323841 /nfs/dbraw/zinc/32/38/41/261323841.db2.gz KYWIGKLRAXRZCB-GOSISDBHSA-N 2 2 297.446 3.715 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCCc1ccccc1 ZINC000187126065 329353481 /nfs/dbraw/zinc/35/34/81/329353481.db2.gz FLYSTLYNSDMRJB-LJQANCHMSA-N 2 2 297.446 3.679 10 0 CHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCCc1ccccc1 ZINC000187126065 329353483 /nfs/dbraw/zinc/35/34/83/329353483.db2.gz FLYSTLYNSDMRJB-LJQANCHMSA-N 2 2 297.446 3.679 10 0 CHAELP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247489813 334282805 /nfs/dbraw/zinc/28/28/05/334282805.db2.gz KWDFXHRGSIQMFP-SJORKVTESA-N 2 2 295.430 3.885 10 0 CHAELP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247489813 334282806 /nfs/dbraw/zinc/28/28/06/334282806.db2.gz KWDFXHRGSIQMFP-SJORKVTESA-N 2 2 295.430 3.885 10 0 CHAELP C[C@@H]1CCCC[C@H]1[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000090050911 334356570 /nfs/dbraw/zinc/35/65/70/334356570.db2.gz GBXZDAWLVKIPKI-HUUCEWRRSA-N 2 2 285.435 3.674 10 0 CHAELP CC(C)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151673473 519792457 /nfs/dbraw/zinc/79/24/57/519792457.db2.gz HLBZYAONLODOGM-ZIAGYGMSSA-N 2 2 257.381 3.567 10 0 CHAELP CCC[NH2+]C[C@@H](C(C)C)[N@H+](C)[C@@H](C)c1cccs1 ZINC000052506390 519920651 /nfs/dbraw/zinc/92/06/51/519920651.db2.gz QHSJPVILVGTHQU-KBPBESRZSA-N 2 2 268.470 3.765 10 0 CHAELP CCC[NH2+]C[C@@H](C(C)C)[N@@H+](C)[C@@H](C)c1cccs1 ZINC000052506390 519920655 /nfs/dbraw/zinc/92/06/55/519920655.db2.gz QHSJPVILVGTHQU-KBPBESRZSA-N 2 2 268.470 3.765 10 0 CHAELP CC[C@H](C[NH2+]CC(C)C)[N@H+](Cc1cccs1)C(C)C ZINC000052544942 522194078 /nfs/dbraw/zinc/19/40/78/522194078.db2.gz IATKFLMAULEISF-OAHLLOKOSA-N 2 2 282.497 3.983 10 0 CHAELP CC[C@H](C[NH2+]CC(C)C)[N@@H+](Cc1cccs1)C(C)C ZINC000052544942 522194086 /nfs/dbraw/zinc/19/40/86/522194086.db2.gz IATKFLMAULEISF-OAHLLOKOSA-N 2 2 282.497 3.983 10 0 CHAELP CC[C@H](C[NH2+]CC(C)C)[N@H+](Cc1ccsc1)C1CC1 ZINC000052541971 522195041 /nfs/dbraw/zinc/19/50/41/522195041.db2.gz RSYVAWQLGCEDAJ-OAHLLOKOSA-N 2 2 280.481 3.737 10 0 CHAELP CC[C@H](C[NH2+]CC(C)C)[N@@H+](Cc1ccsc1)C1CC1 ZINC000052541971 522195061 /nfs/dbraw/zinc/19/50/61/522195061.db2.gz RSYVAWQLGCEDAJ-OAHLLOKOSA-N 2 2 280.481 3.737 10 0 CHAELP CC[C@H]([NH3+])[C@H](c1ccsc1)[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000050563356 522346114 /nfs/dbraw/zinc/34/61/14/522346114.db2.gz SDSVWXBBQHRUQU-JURCDPSOSA-N 2 2 266.454 3.647 10 0 CHAELP CC[C@H]([NH3+])[C@H](c1ccsc1)[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000050563356 522346120 /nfs/dbraw/zinc/34/61/20/522346120.db2.gz SDSVWXBBQHRUQU-JURCDPSOSA-N 2 2 266.454 3.647 10 0 CHAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccncc1 ZINC000156720954 525534539 /nfs/dbraw/zinc/53/45/39/525534539.db2.gz SHHPBHCSTPTKMG-GJZGRUSLSA-N 2 2 292.386 3.679 10 0 CHAELP Cc1cc2[nH+]cn([C@@H](C)CC[NH2+]C(C)C)c2cc1C ZINC000052575722 525685199 /nfs/dbraw/zinc/68/51/99/525685199.db2.gz WFQVQUBLHFTNDJ-AWEZNQCLSA-N 2 2 259.397 3.602 10 0 CHAELP [NH3+]C[C@H](C1CCCC1)[NH+]1CCC2(CCCCC2)CC1 ZINC000061818810 527225366 /nfs/dbraw/zinc/22/53/66/527225366.db2.gz LIISIHYCGVTYPV-MRXNPFEDSA-N 2 2 264.457 3.550 10 0 CHAELP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000057353478 567894985 /nfs/dbraw/zinc/89/49/85/567894985.db2.gz UACOWAKHXXFRTL-QGZVFWFLSA-N 2 2 299.462 3.796 10 0 CHAELP CCCC[NH+](CCCC)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000020484804 171224208 /nfs/dbraw/zinc/22/42/08/171224208.db2.gz YGBNWBSVURBWAB-MRXNPFEDSA-N 2 2 266.404 3.728 10 0 CHAELP CCCC[NH+](CCCC)[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+] ZINC000020485385 171225076 /nfs/dbraw/zinc/22/50/76/171225076.db2.gz AINZSIPMCSOFDD-OWCLPIDISA-N 2 2 254.462 3.795 10 0 CHAELP CC(C)[N@H+](C)[C@H](c1ccccc1)[C@@H]([NH3+])Cc1ccccc1 ZINC000020549459 171246273 /nfs/dbraw/zinc/24/62/73/171246273.db2.gz MLGFRAHQHRQJEL-RBUKOAKNSA-N 2 2 282.431 3.638 10 0 CHAELP CC(C)[N@@H+](C)[C@H](c1ccccc1)[C@@H]([NH3+])Cc1ccccc1 ZINC000020549459 171246274 /nfs/dbraw/zinc/24/62/74/171246274.db2.gz MLGFRAHQHRQJEL-RBUKOAKNSA-N 2 2 282.431 3.638 10 0 CHAELP [NH3+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1[NH+]1CCCCCC1 ZINC000021039162 171292783 /nfs/dbraw/zinc/29/27/83/171292783.db2.gz HRTQGENBYQAFPX-BZSNNMDCSA-N 2 2 272.436 3.526 10 0 CHAELP CC(C)(C)C1CCC(C[NH3+])([NH+]2CCCCCC2)CC1 ZINC000021506561 171308186 /nfs/dbraw/zinc/30/81/86/171308186.db2.gz XGCIFDBADABEQO-UHFFFAOYSA-N 2 2 266.473 3.796 10 0 CHAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C[NH3+])c2ccc(C(C)(C)C)cc2)C1 ZINC000021517886 171313909 /nfs/dbraw/zinc/31/39/09/171313909.db2.gz RWOPBQVSYOELFC-DAYGRLMNSA-N 2 2 288.479 3.962 10 0 CHAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C[NH3+])c2ccc(C(C)(C)C)cc2)C1 ZINC000021517886 171313910 /nfs/dbraw/zinc/31/39/10/171313910.db2.gz RWOPBQVSYOELFC-DAYGRLMNSA-N 2 2 288.479 3.962 10 0 CHAELP CC[N@H+]([C@H](C[NH3+])c1sccc1C)C1CCCCC1 ZINC000022163546 171364920 /nfs/dbraw/zinc/36/49/20/171364920.db2.gz LWOPOQCZKRBTIE-CQSZACIVSA-N 2 2 266.454 3.711 10 0 CHAELP CC[N@@H+]([C@H](C[NH3+])c1sccc1C)C1CCCCC1 ZINC000022163546 171364922 /nfs/dbraw/zinc/36/49/22/171364922.db2.gz LWOPOQCZKRBTIE-CQSZACIVSA-N 2 2 266.454 3.711 10 0 CHAELP CCCC[C@@H](CC)[C@@H](Cc1[nH]cc[nH+]1)[NH2+]CCC ZINC000035586392 172285641 /nfs/dbraw/zinc/28/56/41/172285641.db2.gz YNYMLSTXZAVGEF-ZIAGYGMSSA-N 2 2 251.418 3.537 10 0 CHAELP CCC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(Cl)ccc1Cl ZINC000035586669 172285907 /nfs/dbraw/zinc/28/59/07/172285907.db2.gz IIYJLGGIMQUUBI-ZDUSSCGKSA-N 2 2 298.217 4.000 10 0 CHAELP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1c(F)cccc1F ZINC000038041674 174043736 /nfs/dbraw/zinc/04/37/36/174043736.db2.gz WKWZOGKKHDLSRQ-UONOGXRCSA-N 2 2 296.405 3.737 10 0 CHAELP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1)[NH+](C)C ZINC000038087654 174099377 /nfs/dbraw/zinc/09/93/77/174099377.db2.gz RYAZNODMKWGIRP-OIISXLGYSA-N 2 2 266.473 3.665 10 0 CHAELP C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)[NH+]1CCCCCC1 ZINC000042974938 174938313 /nfs/dbraw/zinc/93/83/13/174938313.db2.gz HWYGZLOMWAAMDI-SWLSCSKDSA-N 2 2 266.816 3.604 10 0 CHAELP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)c1cccc(Cl)c1 ZINC000040502210 260285150 /nfs/dbraw/zinc/28/51/50/260285150.db2.gz UYRGJSREFPIZBL-HZPDHXFCSA-N 2 2 280.843 3.865 10 0 CHAELP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)c1cccc(Cl)c1 ZINC000040502210 260285152 /nfs/dbraw/zinc/28/51/52/260285152.db2.gz UYRGJSREFPIZBL-HZPDHXFCSA-N 2 2 280.843 3.865 10 0 CHAELP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000173779110 261169472 /nfs/dbraw/zinc/16/94/72/261169472.db2.gz KWDFXHRGSIQMFP-DLBZAZTESA-N 2 2 295.430 3.885 10 0 CHAELP Cc1cccc([C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000173779110 261169473 /nfs/dbraw/zinc/16/94/73/261169473.db2.gz KWDFXHRGSIQMFP-DLBZAZTESA-N 2 2 295.430 3.885 10 0 CHAELP Cc1ccccc1[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000175171489 261209902 /nfs/dbraw/zinc/20/99/02/261209902.db2.gz FTCJDZNCVUGWGZ-HXUWFJFHSA-N 2 2 294.442 3.768 10 0 CHAELP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000222692426 333198763 /nfs/dbraw/zinc/19/87/63/333198763.db2.gz AZYVWVNDZNJLTQ-YOEHRIQHSA-N 2 2 260.425 3.555 10 0 CHAELP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000222692426 333198764 /nfs/dbraw/zinc/19/87/64/333198764.db2.gz AZYVWVNDZNJLTQ-YOEHRIQHSA-N 2 2 260.425 3.555 10 0 CHAELP C[C@H](C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246987486 334273395 /nfs/dbraw/zinc/27/33/95/334273395.db2.gz FVNUEDUDGRJIID-SJORKVTESA-N 2 2 295.430 3.619 10 0 CHAELP C[C@H](C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000246987486 334273396 /nfs/dbraw/zinc/27/33/96/334273396.db2.gz FVNUEDUDGRJIID-SJORKVTESA-N 2 2 295.430 3.619 10 0 CHAELP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248121875 334295172 /nfs/dbraw/zinc/29/51/72/334295172.db2.gz NLUOPVQNJGHPIG-SJORKVTESA-N 2 2 295.430 3.885 10 0 CHAELP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248121875 334295174 /nfs/dbraw/zinc/29/51/74/334295174.db2.gz NLUOPVQNJGHPIG-SJORKVTESA-N 2 2 295.430 3.885 10 0 CHAELP CCCC1CC[NH+]([C@@H](c2ccsc2)[C@H](C)[NH3+])CC1 ZINC000050893032 519903450 /nfs/dbraw/zinc/90/34/50/519903450.db2.gz JFVQVPDFYQRLSO-SWLSCSKDSA-N 2 2 266.454 3.649 10 0 CHAELP CCC[NH2+]C[C@@H](C(C)C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517350 519919973 /nfs/dbraw/zinc/91/99/73/519919973.db2.gz PKLXRJMBGFNJTJ-SJORKVTESA-N 2 2 266.473 3.665 10 0 CHAELP CCC[NH2+]C[C@@H](C(C)C)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517350 519919974 /nfs/dbraw/zinc/91/99/74/519919974.db2.gz PKLXRJMBGFNJTJ-SJORKVTESA-N 2 2 266.473 3.665 10 0 CHAELP CC(C)CC(CC(C)C)[NH2+][C@@H](C[NH+](C)C)C(C)C ZINC000049197265 519619267 /nfs/dbraw/zinc/61/92/67/519619267.db2.gz JTZCMGOITDOLJR-INIZCTEOSA-N 2 2 256.478 3.623 10 0 CHAELP CC(C)C[NH+](CC(C)C)[C@@H](C[NH2+]C(C)C)C(C)C ZINC000052484799 519713537 /nfs/dbraw/zinc/71/35/37/519713537.db2.gz TZDJYGWRWKXAOY-INIZCTEOSA-N 2 2 256.478 3.623 10 0 CHAELP CCC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000052382111 519922470 /nfs/dbraw/zinc/92/24/70/519922470.db2.gz WFRWXFMZBMYFPR-KRWDZBQOSA-N 2 2 260.425 3.603 10 0 CHAELP C[C@H]([NH3+])[C@@H](c1ccccc1Cl)[NH+]1CCC(C)(C)CC1 ZINC000061818389 524838722 /nfs/dbraw/zinc/83/87/22/524838722.db2.gz PEXMZMCYUZVCQE-WFASDCNBSA-N 2 2 280.843 3.850 10 0 CHAELP Cc1ccc([N@H+](C)CCC[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000050954198 524887192 /nfs/dbraw/zinc/88/71/92/524887192.db2.gz OOHNEWMDARPZAO-INIZCTEOSA-N 2 2 260.425 3.662 10 0 CHAELP Cc1ccc([N@@H+](C)CCC[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000050954198 524887205 /nfs/dbraw/zinc/88/72/05/524887205.db2.gz OOHNEWMDARPZAO-INIZCTEOSA-N 2 2 260.425 3.662 10 0 CHAELP C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)[NH+]1CCC(C)(C)CC1 ZINC000061818390 525006892 /nfs/dbraw/zinc/00/68/92/525006892.db2.gz PEXMZMCYUZVCQE-DOMZBBRYSA-N 2 2 280.843 3.850 10 0 CHAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccncc1 ZINC000156721102 525611593 /nfs/dbraw/zinc/61/15/93/525611593.db2.gz SHHPBHCSTPTKMG-CABCVRRESA-N 2 2 292.386 3.679 10 0 CHAELP [NH3+][C@H]1CCCCC[C@H]1[NH+]1CCC2(CCCCC2)CC1 ZINC000061819362 527394894 /nfs/dbraw/zinc/39/48/94/527394894.db2.gz SRCVSCIMBSRHKP-JKSUJKDBSA-N 2 2 264.457 3.693 10 0 CHAELP CCc1[nH]c(C[N@H+](Cc2ccco2)[C@@H](C)C(C)C)c(C)[nH+]1 ZINC000055281121 570242089 /nfs/dbraw/zinc/24/20/89/570242089.db2.gz JFPPOPGTJMUVDE-AWEZNQCLSA-N 2 2 289.423 3.920 10 0 CHAELP CCc1[nH]c(C[N@@H+](Cc2ccco2)[C@@H](C)C(C)C)c(C)[nH+]1 ZINC000055281121 570242094 /nfs/dbraw/zinc/24/20/94/570242094.db2.gz JFPPOPGTJMUVDE-AWEZNQCLSA-N 2 2 289.423 3.920 10 0 CHAELP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000096747942 185111302 /nfs/dbraw/zinc/11/13/02/185111302.db2.gz GRBOJZGPSPHANX-OWCLPIDISA-N 2 2 256.478 3.767 10 0 CHAELP C[C@@H]1CC(C)(C)C[C@](C[NH3+])([NH+]2CCC(C)(C)CC2)C1 ZINC000103974000 185872137 /nfs/dbraw/zinc/87/21/37/185872137.db2.gz SKMDCNQRWFPLMJ-RHSMWYFYSA-N 2 2 266.473 3.652 10 0 CHAELP CCCC[NH+](CCCC)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000020485392 171225294 /nfs/dbraw/zinc/22/52/94/171225294.db2.gz XIJCNBLZYZISPU-JKSUJKDBSA-N 2 2 254.462 3.939 10 0 CHAELP CC[NH+](CC)[C@H](c1ccccc1)[C@H]([NH3+])Cc1ccccc1 ZINC000021013693 171288771 /nfs/dbraw/zinc/28/87/71/171288771.db2.gz AVAKWBHVJIRYDX-RTBURBONSA-N 2 2 282.431 3.640 10 0 CHAELP [NH3+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1[NH+]1CCCCCC1 ZINC000021039155 171292669 /nfs/dbraw/zinc/29/26/69/171292669.db2.gz HRTQGENBYQAFPX-KSZLIROESA-N 2 2 272.436 3.526 10 0 CHAELP CC[NH+](CC)[C@@H](C[NH2+]CCC(C)C)c1ccccc1 ZINC000021517971 171314181 /nfs/dbraw/zinc/31/41/81/171314181.db2.gz OXGPLHGKCHKZNH-KRWDZBQOSA-N 2 2 262.441 3.705 10 0 CHAELP CCCCC[NH2+]C[C@H](c1ccccc1)[NH+](CC)CC ZINC000022152474 171359643 /nfs/dbraw/zinc/35/96/43/171359643.db2.gz FCZZUOVAKJTQHO-QGZVFWFLSA-N 2 2 262.441 3.849 10 0 CHAELP CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@H+](C)C1CCCCC1 ZINC000035176671 172029597 /nfs/dbraw/zinc/02/95/97/172029597.db2.gz SLMUWJJFZOUCLE-ZBFHGGJFSA-N 2 2 254.462 3.795 10 0 CHAELP CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@@H+](C)C1CCCCC1 ZINC000035176671 172029599 /nfs/dbraw/zinc/02/95/99/172029599.db2.gz SLMUWJJFZOUCLE-ZBFHGGJFSA-N 2 2 254.462 3.795 10 0 CHAELP CC[N@H+](C1CCCCC1)[C@@](C)(C[NH3+])CCC(C)C ZINC000035176730 172030313 /nfs/dbraw/zinc/03/03/13/172030313.db2.gz BHHUGZWPUOXRGC-MRXNPFEDSA-N 2 2 254.462 3.795 10 0 CHAELP CC[N@@H+](C1CCCCC1)[C@@](C)(C[NH3+])CCC(C)C ZINC000035176730 172030314 /nfs/dbraw/zinc/03/03/14/172030314.db2.gz BHHUGZWPUOXRGC-MRXNPFEDSA-N 2 2 254.462 3.795 10 0 CHAELP CC[C@@H]1CC[C@@H]([NH3+])[C@H]([N@H+](CC)C2CCCCC2)C1 ZINC000035219757 172060363 /nfs/dbraw/zinc/06/03/63/172060363.db2.gz SGVWFLBWJIYHTA-FVQBIDKESA-N 2 2 252.446 3.547 10 0 CHAELP CC[C@@H]1CC[C@@H]([NH3+])[C@H]([N@@H+](CC)C2CCCCC2)C1 ZINC000035219757 172060364 /nfs/dbraw/zinc/06/03/64/172060364.db2.gz SGVWFLBWJIYHTA-FVQBIDKESA-N 2 2 252.446 3.547 10 0 CHAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1Cl ZINC000035570068 172265585 /nfs/dbraw/zinc/26/55/85/172265585.db2.gz RACIAZXDWDSBLP-GFCCVEGCSA-N 2 2 284.190 3.610 10 0 CHAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1cc(Cl)cc(Cl)c1 ZINC000035570440 172266591 /nfs/dbraw/zinc/26/65/91/172266591.db2.gz QKOVHPBYHDLSMD-LBPRGKRZSA-N 2 2 284.190 3.610 10 0 CHAELP CCCC[C@@H](CC)[C@H](Cc1[nH]cc[nH+]1)[NH2+]CCC ZINC000035586396 172286029 /nfs/dbraw/zinc/28/60/29/172286029.db2.gz YNYMLSTXZAVGEF-KGLIPLIRSA-N 2 2 251.418 3.537 10 0 CHAELP C[C@@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000038029040 174018433 /nfs/dbraw/zinc/01/84/33/174018433.db2.gz VRUMKBHJDXHODN-WNRNVDISSA-N 2 2 278.484 3.809 10 0 CHAELP CC(C)c1[nH+]ccn1[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000071137762 176036464 /nfs/dbraw/zinc/03/64/64/176036464.db2.gz HLMXEZUKQZHUDL-CYBMUJFWSA-N 2 2 251.418 3.592 10 0 CHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000106214411 261323418 /nfs/dbraw/zinc/32/34/18/261323418.db2.gz KYWIGKLRAXRZCB-SFHVURJKSA-N 2 2 297.446 3.715 10 0 CHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000106214411 261323420 /nfs/dbraw/zinc/32/34/20/261323420.db2.gz KYWIGKLRAXRZCB-SFHVURJKSA-N 2 2 297.446 3.715 10 0 CHAELP CC[C@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)C(C)C ZINC000090050720 327176701 /nfs/dbraw/zinc/17/67/01/327176701.db2.gz JCDQHMCGOHGWEJ-AWEZNQCLSA-N 2 2 273.424 3.530 10 0 CHAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000396645156 329694881 /nfs/dbraw/zinc/69/48/81/329694881.db2.gz OFNPFFFTOAUTGV-LEWSCRJBSA-N 2 2 296.867 3.607 10 0 CHAELP CC[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc(Cl)cc1 ZINC000396715221 330224265 /nfs/dbraw/zinc/22/42/65/330224265.db2.gz RBOHUFNVNFINDO-UGFHNGPFSA-N 2 2 266.816 3.521 10 0 CHAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000163347626 331024157 /nfs/dbraw/zinc/02/41/57/331024157.db2.gz FHVHVKQKZBQLJT-QWHCGFSZSA-N 2 2 282.394 3.673 10 0 CHAELP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000222696825 333199127 /nfs/dbraw/zinc/19/91/27/333199127.db2.gz BPAKRAOZCVYJNE-CVEARBPZSA-N 2 2 280.843 3.865 10 0 CHAELP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000222696825 333199129 /nfs/dbraw/zinc/19/91/29/333199129.db2.gz BPAKRAOZCVYJNE-CVEARBPZSA-N 2 2 280.843 3.865 10 0 CHAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069381456 333760004 /nfs/dbraw/zinc/76/00/04/333760004.db2.gz VEFLYWQVGQVIEI-BFHYXJOUSA-N 2 2 294.405 3.673 10 0 CHAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)C1CCCCC1 ZINC000054602304 521953433 /nfs/dbraw/zinc/95/34/33/521953433.db2.gz AZXMGOKISXGTSU-LNRIEFBSSA-N 2 2 264.457 3.560 10 0 CHAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)C1CCCCC1 ZINC000054602304 521953440 /nfs/dbraw/zinc/95/34/40/521953440.db2.gz AZXMGOKISXGTSU-LNRIEFBSSA-N 2 2 264.457 3.560 10 0 CHAELP CCC[NH2+]C[C@H](CC)[N@H+](Cc1cccs1)C(C)C ZINC000052544934 519931137 /nfs/dbraw/zinc/93/11/37/519931137.db2.gz OJASJWFHLGWYSL-AWEZNQCLSA-N 2 2 268.470 3.737 10 0 CHAELP CCC[NH2+]C[C@H](CC)[N@@H+](Cc1cccs1)C(C)C ZINC000052544934 519931146 /nfs/dbraw/zinc/93/11/46/519931146.db2.gz OJASJWFHLGWYSL-AWEZNQCLSA-N 2 2 268.470 3.737 10 0 CHAELP CC[NH2+]C[C@@H](c1ccccc1)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000052504609 519949225 /nfs/dbraw/zinc/94/92/25/519949225.db2.gz WLYZOZXYRLSHOL-HOCLYGCPSA-N 2 2 262.441 3.704 10 0 CHAELP CC[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000052504609 519949229 /nfs/dbraw/zinc/94/92/29/519949229.db2.gz WLYZOZXYRLSHOL-HOCLYGCPSA-N 2 2 262.441 3.704 10 0 CHAELP CCCC[N@H+]([C@@H](C[NH2+]CC)c1ccccc1)C1CC1 ZINC000052512697 520552853 /nfs/dbraw/zinc/55/28/53/520552853.db2.gz QFJUADOLNDFIIE-KRWDZBQOSA-N 2 2 260.425 3.602 10 0 CHAELP CCCC[N@@H+]([C@@H](C[NH2+]CC)c1ccccc1)C1CC1 ZINC000052512697 520552857 /nfs/dbraw/zinc/55/28/57/520552857.db2.gz QFJUADOLNDFIIE-KRWDZBQOSA-N 2 2 260.425 3.602 10 0 CHAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@@H+]1CCc2sccc2[C@@H]1C ZINC000052505279 522543393 /nfs/dbraw/zinc/54/33/93/522543393.db2.gz HTTFGNBRRVORRO-STQMWFEESA-N 2 2 280.481 3.834 10 0 CHAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@H+]1CCc2sccc2[C@@H]1C ZINC000052505279 522543400 /nfs/dbraw/zinc/54/34/00/522543400.db2.gz HTTFGNBRRVORRO-STQMWFEESA-N 2 2 280.481 3.834 10 0 CHAELP CCc1ccc([C@H](C[NH3+])[N@H+](C)Cc2cccc(C)c2)cc1 ZINC000020225703 171088172 /nfs/dbraw/zinc/08/81/72/171088172.db2.gz DKNAIAVISPAOMX-IBGZPJMESA-N 2 2 282.431 3.689 10 0 CHAELP CCc1ccc([C@H](C[NH3+])[N@@H+](C)Cc2cccc(C)c2)cc1 ZINC000020225703 171088173 /nfs/dbraw/zinc/08/81/73/171088173.db2.gz DKNAIAVISPAOMX-IBGZPJMESA-N 2 2 282.431 3.689 10 0 CHAELP Cc1ccccc1[C@@H](C[NH3+])[N@H+](C)CC1CCCCC1 ZINC000020225469 171088522 /nfs/dbraw/zinc/08/85/22/171088522.db2.gz PNEAQVJGMITZDM-QGZVFWFLSA-N 2 2 260.425 3.507 10 0 CHAELP Cc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CC1CCCCC1 ZINC000020225469 171088523 /nfs/dbraw/zinc/08/85/23/171088523.db2.gz PNEAQVJGMITZDM-QGZVFWFLSA-N 2 2 260.425 3.507 10 0 CHAELP CCCC[NH+](CCCC)[C@]1(C[NH3+])CCCC[C@H]1C ZINC000020484890 171224791 /nfs/dbraw/zinc/22/47/91/171224791.db2.gz MCYQKOPHGAZTHE-CVEARBPZSA-N 2 2 254.462 3.796 10 0 CHAELP C[C@@H]1C[NH+]([C@@H]2CCCCCCCCCC[C@@H]2[NH3+])C[C@@H](C)O1 ZINC000020556018 171250086 /nfs/dbraw/zinc/25/00/86/171250086.db2.gz WMPHWCPDGZLZCH-ZJPYXAASSA-N 2 2 296.499 3.706 10 0 CHAELP CC[N@H+]([C@@H](C[NH3+])c1ccccc1Cl)C1CCCCC1 ZINC000020559711 171251522 /nfs/dbraw/zinc/25/15/22/171251522.db2.gz XAZWGJFOEORAGA-INIZCTEOSA-N 2 2 280.843 3.994 10 0 CHAELP CC[N@@H+]([C@@H](C[NH3+])c1ccccc1Cl)C1CCCCC1 ZINC000020559711 171251523 /nfs/dbraw/zinc/25/15/23/171251523.db2.gz XAZWGJFOEORAGA-INIZCTEOSA-N 2 2 280.843 3.994 10 0 CHAELP CC[NH+](CC)[C@@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021011456 171287383 /nfs/dbraw/zinc/28/73/83/171287383.db2.gz HCOJJWJRCZKJNJ-JKSUJKDBSA-N 2 2 254.462 3.939 10 0 CHAELP CC[NH+](CC)[C@@H](c1ccccc1)[C@@H]([NH3+])Cc1ccccc1 ZINC000021013692 171288873 /nfs/dbraw/zinc/28/88/73/171288873.db2.gz AVAKWBHVJIRYDX-OALUTQOASA-N 2 2 282.431 3.640 10 0 CHAELP C[C@H]1CCCC[N@@H+]1C1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000021504387 171307181 /nfs/dbraw/zinc/30/71/81/171307181.db2.gz MGQRSWMXIBKSOI-UQPPLGOBSA-N 2 2 266.473 3.795 10 0 CHAELP C[C@H]1CCCC[N@H+]1C1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000021504387 171307182 /nfs/dbraw/zinc/30/71/82/171307182.db2.gz MGQRSWMXIBKSOI-UQPPLGOBSA-N 2 2 266.473 3.795 10 0 CHAELP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021508356 171308807 /nfs/dbraw/zinc/30/88/07/171308807.db2.gz SEERTIVLJNUNCR-JONQDZQNSA-N 2 2 254.462 3.508 10 0 CHAELP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021508356 171308809 /nfs/dbraw/zinc/30/88/09/171308809.db2.gz SEERTIVLJNUNCR-JONQDZQNSA-N 2 2 254.462 3.508 10 0 CHAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]C(CC(C)C)CC(C)C ZINC000021819297 171334193 /nfs/dbraw/zinc/33/41/93/171334193.db2.gz UASNVHNDFKRURM-MRXNPFEDSA-N 2 2 254.462 3.521 10 0 CHAELP CC[N@H+]1CCC[C@@H]1C[NH2+]C(CC(C)C)CC(C)C ZINC000021819297 171334194 /nfs/dbraw/zinc/33/41/94/171334194.db2.gz UASNVHNDFKRURM-MRXNPFEDSA-N 2 2 254.462 3.521 10 0 CHAELP CCCCCC[C@@](C)(C[NH3+])[N@H+](C)Cc1cccs1 ZINC000035717139 172371132 /nfs/dbraw/zinc/37/11/32/172371132.db2.gz FSAUUCKGFFUXRB-HNNXBMFYSA-N 2 2 268.470 3.868 10 0 CHAELP CCCCCC[C@@](C)(C[NH3+])[N@@H+](C)Cc1cccs1 ZINC000035717139 172371135 /nfs/dbraw/zinc/37/11/35/172371135.db2.gz FSAUUCKGFFUXRB-HNNXBMFYSA-N 2 2 268.470 3.868 10 0 CHAELP CC[N@H+](C(C)C)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424865 173199194 /nfs/dbraw/zinc/19/91/94/173199194.db2.gz NFBMIRWYJNWNHA-CYBMUJFWSA-N 2 2 275.223 3.724 10 0 CHAELP CC[N@@H+](C(C)C)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424865 173199197 /nfs/dbraw/zinc/19/91/97/173199197.db2.gz NFBMIRWYJNWNHA-CYBMUJFWSA-N 2 2 275.223 3.724 10 0 CHAELP CC(C)[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424966 173199205 /nfs/dbraw/zinc/19/92/05/173199205.db2.gz ZSCSCCMPOODNAE-YGRLFVJLSA-N 2 2 289.250 3.970 10 0 CHAELP CC(C)[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424966 173199207 /nfs/dbraw/zinc/19/92/07/173199207.db2.gz ZSCSCCMPOODNAE-YGRLFVJLSA-N 2 2 289.250 3.970 10 0 CHAELP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028198 174016711 /nfs/dbraw/zinc/01/67/11/174016711.db2.gz MJNRHIOWJYCRKP-ARFHVFGLSA-N 2 2 254.462 3.665 10 0 CHAELP CC(C)[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000038029122 174019548 /nfs/dbraw/zinc/01/95/48/174019548.db2.gz PIRMLLPUGFLCJA-WMZOPIPTSA-N 2 2 274.452 3.848 10 0 CHAELP C[C@@H]1CCC[C@H](C)[N@H+]1[C@H](C[NH3+])c1ccccc1Cl ZINC000039789080 174173260 /nfs/dbraw/zinc/17/32/60/174173260.db2.gz ZXDDCMLWQKXSQE-TYNCELHUSA-N 2 2 266.816 3.603 10 0 CHAELP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H](C[NH3+])c1ccccc1Cl ZINC000039789080 174173262 /nfs/dbraw/zinc/17/32/62/174173262.db2.gz ZXDDCMLWQKXSQE-TYNCELHUSA-N 2 2 266.816 3.603 10 0 CHAELP CC[C@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)c1ccc(OC)cc1 ZINC000037166865 260072210 /nfs/dbraw/zinc/07/22/10/260072210.db2.gz GIVHHHNNCSFIER-WMZOPIPTSA-N 2 2 292.467 3.712 10 0 CHAELP CC(C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000070280669 260155112 /nfs/dbraw/zinc/15/51/12/260155112.db2.gz UNYMQOWTUMAZKL-GOEBONIOSA-N 2 2 280.843 3.721 10 0 CHAELP CC(C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000070280669 260155114 /nfs/dbraw/zinc/15/51/14/260155114.db2.gz UNYMQOWTUMAZKL-GOEBONIOSA-N 2 2 280.843 3.721 10 0 CHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000106215474 261323724 /nfs/dbraw/zinc/32/37/24/261323724.db2.gz NTYQCMYQTWFPOH-QGZVFWFLSA-N 2 2 283.419 3.591 10 0 CHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000106215474 261323725 /nfs/dbraw/zinc/32/37/25/261323725.db2.gz NTYQCMYQTWFPOH-QGZVFWFLSA-N 2 2 283.419 3.591 10 0 CHAELP CC[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc(Cl)cc1 ZINC000396715215 330224385 /nfs/dbraw/zinc/22/43/85/330224385.db2.gz RBOHUFNVNFINDO-BYCMXARLSA-N 2 2 266.816 3.521 10 0 CHAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@H+](CC(C)C)C(C)C ZINC000052572488 519744401 /nfs/dbraw/zinc/74/44/01/519744401.db2.gz UUGMATQSEPODMF-INIZCTEOSA-N 2 2 256.478 3.623 10 0 CHAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@@H+](CC(C)C)C(C)C ZINC000052572488 519744404 /nfs/dbraw/zinc/74/44/04/519744404.db2.gz UUGMATQSEPODMF-INIZCTEOSA-N 2 2 256.478 3.623 10 0 CHAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000049195587 519793912 /nfs/dbraw/zinc/79/39/12/519793912.db2.gz VYIGZKOPCWLEHD-SWLSCSKDSA-N 2 2 268.832 3.577 10 0 CHAELP CCC[N@H+](CC)[C@@H](C[NH2+]C(C)(C)C)c1ccccc1 ZINC000052448639 521614571 /nfs/dbraw/zinc/61/45/71/521614571.db2.gz GAWCFDBMNWZSEG-INIZCTEOSA-N 2 2 262.441 3.848 10 0 CHAELP CCC[N@@H+](CC)[C@@H](C[NH2+]C(C)(C)C)c1ccccc1 ZINC000052448639 521614576 /nfs/dbraw/zinc/61/45/76/521614576.db2.gz GAWCFDBMNWZSEG-INIZCTEOSA-N 2 2 262.441 3.848 10 0 CHAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346271 519794806 /nfs/dbraw/zinc/79/48/06/519794806.db2.gz ZCJMUJAIOQVGMG-MRXNPFEDSA-N 2 2 280.843 3.548 10 0 CHAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052346271 519794807 /nfs/dbraw/zinc/79/48/07/519794807.db2.gz ZCJMUJAIOQVGMG-MRXNPFEDSA-N 2 2 280.843 3.548 10 0 CHAELP Cc1ccc([N@@H+](C)CCCCC[NH2+]CC(C)C)cc1 ZINC000052509600 524885154 /nfs/dbraw/zinc/88/51/54/524885154.db2.gz CCJFDNZBNFTYRO-UHFFFAOYSA-N 2 2 262.441 3.847 10 0 CHAELP Cc1ccc([N@H+](C)CCCCC[NH2+]CC(C)C)cc1 ZINC000052509600 524885156 /nfs/dbraw/zinc/88/51/56/524885156.db2.gz CCJFDNZBNFTYRO-UHFFFAOYSA-N 2 2 262.441 3.847 10 0 CHAELP CCCC1CC[NH+](CC[NH2+][C@@H](C)CCC(C)C)CC1 ZINC000104016247 185883173 /nfs/dbraw/zinc/88/31/73/185883173.db2.gz HUDRPQUXQFZLBZ-INIZCTEOSA-N 2 2 268.489 3.913 10 0 CHAELP CC(C)(C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000104449659 186006225 /nfs/dbraw/zinc/00/62/25/186006225.db2.gz WOMZNBNAFBGWJJ-AWEZNQCLSA-N 2 2 280.481 3.533 10 0 CHAELP CC(C)(C)[NH2+]C[C@@H]1CCCC[N@H+]1CCc1cccs1 ZINC000104449659 186006226 /nfs/dbraw/zinc/00/62/26/186006226.db2.gz WOMZNBNAFBGWJJ-AWEZNQCLSA-N 2 2 280.481 3.533 10 0 CHAELP C[N@H+](CC1CCCCC1)[C@@H](C[NH3+])c1ccccc1Cl ZINC000020225934 171089922 /nfs/dbraw/zinc/08/99/22/171089922.db2.gz NMXLDBQBXIXWCS-INIZCTEOSA-N 2 2 280.843 3.852 10 0 CHAELP C[N@@H+](CC1CCCCC1)[C@@H](C[NH3+])c1ccccc1Cl ZINC000020225934 171089924 /nfs/dbraw/zinc/08/99/24/171089924.db2.gz NMXLDBQBXIXWCS-INIZCTEOSA-N 2 2 280.843 3.852 10 0 CHAELP CC(C)C[N@H+](C)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020226325 171092018 /nfs/dbraw/zinc/09/20/18/171092018.db2.gz PGMPRZMFTGQTEJ-MRXNPFEDSA-N 2 2 262.441 3.572 10 0 CHAELP CC(C)C[N@@H+](C)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020226325 171092020 /nfs/dbraw/zinc/09/20/20/171092020.db2.gz PGMPRZMFTGQTEJ-MRXNPFEDSA-N 2 2 262.441 3.572 10 0 CHAELP CCCC[NH+](CCCC)C1(C[NH3+])CCCCCC1 ZINC000020484917 171224463 /nfs/dbraw/zinc/22/44/63/171224463.db2.gz GCVUJRDTYPNOOH-UHFFFAOYSA-N 2 2 254.462 3.940 10 0 CHAELP CCCCCC[C@](C)(C[NH3+])[NH+]1CCCCCCC1 ZINC000020520460 171233838 /nfs/dbraw/zinc/23/38/38/171233838.db2.gz BSBJUMSBIFXEIG-MRXNPFEDSA-N 2 2 254.462 3.940 10 0 CHAELP CCCC[N@H+](CC)[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000020545038 171242872 /nfs/dbraw/zinc/24/28/72/171242872.db2.gz AJPSNXOKNIWIHN-KRWDZBQOSA-N 2 2 262.441 3.932 10 0 CHAELP CCCC[N@@H+](CC)[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000020545038 171242873 /nfs/dbraw/zinc/24/28/73/171242873.db2.gz AJPSNXOKNIWIHN-KRWDZBQOSA-N 2 2 262.441 3.932 10 0 CHAELP C[C@@H]1CCC[N@@H+](C2(C[NH3+])CCC(c3ccccc3)CC2)C1 ZINC000020547861 171244981 /nfs/dbraw/zinc/24/49/81/171244981.db2.gz XVCSDVUNULJHKM-IPJUCJBFSA-N 2 2 286.463 3.774 10 0 CHAELP C[C@@H]1CCC[N@H+](C2(C[NH3+])CCC(c3ccccc3)CC2)C1 ZINC000020547861 171244983 /nfs/dbraw/zinc/24/49/83/171244983.db2.gz XVCSDVUNULJHKM-IPJUCJBFSA-N 2 2 286.463 3.774 10 0 CHAELP Cc1[nH+]c2ccccc2n1CC[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000021010091 171286411 /nfs/dbraw/zinc/28/64/11/171286411.db2.gz JCSNMVDECLJKNI-UUVAVEHKSA-N 2 2 285.435 3.759 10 0 CHAELP CC[NH+](CC)CC[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC000021501556 171305491 /nfs/dbraw/zinc/30/54/91/171305491.db2.gz WIAUQVQHMYEZPW-UHFFFAOYSA-N 2 2 268.489 3.913 10 0 CHAELP CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021508354 171308647 /nfs/dbraw/zinc/30/86/47/171308647.db2.gz SEERTIVLJNUNCR-WCVJEAGWSA-N 2 2 254.462 3.508 10 0 CHAELP CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021508354 171308649 /nfs/dbraw/zinc/30/86/49/171308649.db2.gz SEERTIVLJNUNCR-WCVJEAGWSA-N 2 2 254.462 3.508 10 0 CHAELP C[C@H]1C[C@H](C)C[NH+](C[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)C1 ZINC000021789955 171323581 /nfs/dbraw/zinc/32/35/81/171323581.db2.gz DCKJSZFBAUSGMP-FCUZTIEGSA-N 2 2 290.495 3.508 10 0 CHAELP CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H]([NH+]2CCCCCCC2)C1 ZINC000021800611 171325782 /nfs/dbraw/zinc/32/57/82/171325782.db2.gz KIGYXHLLLJAMKE-PMPSAXMXSA-N 2 2 266.473 3.795 10 0 CHAELP C[C@H]1CCC[C@H](C)C1[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000021806143 171327502 /nfs/dbraw/zinc/32/75/02/171327502.db2.gz QUWXCDMPXJJFPZ-ZOBUZTSGSA-N 2 2 274.452 3.704 10 0 CHAELP CCCC[C@H](CC)[C@H](Cc1[nH]cc[nH+]1)[NH2+]CCC ZINC000035586398 172285492 /nfs/dbraw/zinc/28/54/92/172285492.db2.gz YNYMLSTXZAVGEF-KBPBESRZSA-N 2 2 251.418 3.537 10 0 CHAELP C[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccco1 ZINC000035738580 172391732 /nfs/dbraw/zinc/39/17/32/172391732.db2.gz UHKDNLNRRTVVGX-KBPBESRZSA-N 2 2 281.359 3.877 10 0 CHAELP CC(C)Oc1ccc([C@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789149 174173432 /nfs/dbraw/zinc/17/34/32/174173432.db2.gz RCKHMPKPWRLGLM-DAYGRLMNSA-N 2 2 290.451 3.737 10 0 CHAELP CC(C)Oc1ccc([C@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789149 174173434 /nfs/dbraw/zinc/17/34/34/174173434.db2.gz RCKHMPKPWRLGLM-DAYGRLMNSA-N 2 2 290.451 3.737 10 0 CHAELP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171640405 335073123 /nfs/dbraw/zinc/07/31/23/335073123.db2.gz GWRNHEXIQOGCNH-SJLPKXTDSA-N 2 2 295.430 3.967 10 0 CHAELP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171640405 335073122 /nfs/dbraw/zinc/07/31/22/335073122.db2.gz GWRNHEXIQOGCNH-SJLPKXTDSA-N 2 2 295.430 3.967 10 0 CHAELP CCC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000040502444 260285169 /nfs/dbraw/zinc/28/51/69/260285169.db2.gz MWAOEJKESMXXMS-DLBZAZTESA-N 2 2 260.425 3.602 10 0 CHAELP CCC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000040502444 260285171 /nfs/dbraw/zinc/28/51/71/260285171.db2.gz MWAOEJKESMXXMS-DLBZAZTESA-N 2 2 260.425 3.602 10 0 CHAELP CC/C=C/CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189911901 333200309 /nfs/dbraw/zinc/20/03/09/333200309.db2.gz WPMSSLWFRVPAON-RGDDUWESSA-N 2 2 269.392 3.879 10 0 CHAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2)C1 ZINC000250311353 333304292 /nfs/dbraw/zinc/30/42/92/333304292.db2.gz LXQNUTKYSKCHTN-BEFAXECRSA-N 2 2 282.431 3.975 10 0 CHAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2)C1 ZINC000250311353 333304293 /nfs/dbraw/zinc/30/42/93/333304293.db2.gz LXQNUTKYSKCHTN-BEFAXECRSA-N 2 2 282.431 3.975 10 0 CHAELP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000132872743 334008477 /nfs/dbraw/zinc/00/84/77/334008477.db2.gz NLUOPVQNJGHPIG-IAGOWNOFSA-N 2 2 295.430 3.885 10 0 CHAELP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000132872743 334008478 /nfs/dbraw/zinc/00/84/78/334008478.db2.gz NLUOPVQNJGHPIG-IAGOWNOFSA-N 2 2 295.430 3.885 10 0 CHAELP CC[C@@H](C[NH2+]C(C)C)[N@H+](C)[C@@H](C)c1cccs1 ZINC000052506488 522544262 /nfs/dbraw/zinc/54/42/62/522544262.db2.gz XNTAPQSWSUVMGC-STQMWFEESA-N 2 2 254.443 3.518 10 0 CHAELP CC[C@@H](C[NH2+]C(C)C)[N@@H+](C)[C@@H](C)c1cccs1 ZINC000052506488 522544273 /nfs/dbraw/zinc/54/42/73/522544273.db2.gz XNTAPQSWSUVMGC-STQMWFEESA-N 2 2 254.443 3.518 10 0 CHAELP CC(C)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151673535 519813169 /nfs/dbraw/zinc/81/31/69/519813169.db2.gz HLBZYAONLODOGM-UONOGXRCSA-N 2 2 257.381 3.567 10 0 CHAELP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](c2cccs2)C(C)C)C1 ZINC000049557874 520024831 /nfs/dbraw/zinc/02/48/31/520024831.db2.gz ZXWRCYDLJHQVHB-UKRRQHHQSA-N 2 2 266.454 3.519 10 0 CHAELP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](c2cccs2)C(C)C)C1 ZINC000049557874 520024835 /nfs/dbraw/zinc/02/48/35/520024835.db2.gz ZXWRCYDLJHQVHB-UKRRQHHQSA-N 2 2 266.454 3.519 10 0 CHAELP CC[C@H](C[NH2+]C(C)C)[N@H+](C)[C@@H](C)c1cccs1 ZINC000052506490 522190212 /nfs/dbraw/zinc/19/02/12/522190212.db2.gz XNTAPQSWSUVMGC-QWHCGFSZSA-N 2 2 254.443 3.518 10 0 CHAELP CC[C@H](C[NH2+]C(C)C)[N@@H+](C)[C@@H](C)c1cccs1 ZINC000052506490 522190221 /nfs/dbraw/zinc/19/02/21/522190221.db2.gz XNTAPQSWSUVMGC-QWHCGFSZSA-N 2 2 254.443 3.518 10 0 CHAELP C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)[NH+]1CCC(C)(C)CC1 ZINC000061818313 524853252 /nfs/dbraw/zinc/85/32/52/524853252.db2.gz YOWYOVALUWOSFZ-SWLSCSKDSA-N 2 2 280.843 3.850 10 0 CHAELP C[C@@H]([NH2+][C@@H](C)c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151700576 525617692 /nfs/dbraw/zinc/61/76/92/525617692.db2.gz ZIRNRAPJHKYTIM-KGLIPLIRSA-N 2 2 281.359 3.877 10 0 CHAELP C[NH2+][C@H](CCCc1ccccc1)C[N@H+](C)Cc1ccccc1 ZINC000725255376 567915122 /nfs/dbraw/zinc/91/51/22/567915122.db2.gz ADQCVZFBXPRTHW-HXUWFJFHSA-N 2 2 296.458 3.729 10 0 CHAELP C[NH2+][C@H](CCCc1ccccc1)C[N@@H+](C)Cc1ccccc1 ZINC000725255376 567915123 /nfs/dbraw/zinc/91/51/23/567915123.db2.gz ADQCVZFBXPRTHW-HXUWFJFHSA-N 2 2 296.458 3.729 10 0 CHAELP CCc1[nH]c(C[N@H+](Cc2ccco2)[C@H](C)C(C)C)c(C)[nH+]1 ZINC000055281123 570242193 /nfs/dbraw/zinc/24/21/93/570242193.db2.gz JFPPOPGTJMUVDE-CQSZACIVSA-N 2 2 289.423 3.920 10 0 CHAELP CCc1[nH]c(C[N@@H+](Cc2ccco2)[C@H](C)C(C)C)c(C)[nH+]1 ZINC000055281123 570242194 /nfs/dbraw/zinc/24/21/94/570242194.db2.gz JFPPOPGTJMUVDE-CQSZACIVSA-N 2 2 289.423 3.920 10 0 CHAELP CCCC[NH+](CCCC)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000020484787 171224471 /nfs/dbraw/zinc/22/44/71/171224471.db2.gz SLONTFKTRYGLRJ-QGZVFWFLSA-N 2 2 278.440 3.597 10 0 CHAELP C[C@@H]1C[C@@H](C)C[NH+]([C@@]2(C[NH3+])C[C@@H](C)CC(C)(C)C2)C1 ZINC000021027038 171291223 /nfs/dbraw/zinc/29/12/23/171291223.db2.gz ISLDIGDXLBNQAF-AIANPOQGSA-N 2 2 266.473 3.508 10 0 CHAELP CCC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC ZINC000021502208 171306014 /nfs/dbraw/zinc/30/60/14/171306014.db2.gz YNFIUYUDQLVBNL-WBVHZDCISA-N 2 2 262.441 3.848 10 0 CHAELP CC(C)[N@H+](C)[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021506292 171308175 /nfs/dbraw/zinc/30/81/75/171308175.db2.gz MPESZTSTNVOYIF-HOTGVXAUSA-N 2 2 254.462 3.937 10 0 CHAELP CC(C)[N@@H+](C)[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021506292 171308176 /nfs/dbraw/zinc/30/81/76/171308176.db2.gz MPESZTSTNVOYIF-HOTGVXAUSA-N 2 2 254.462 3.937 10 0 CHAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000021814092 171331232 /nfs/dbraw/zinc/33/12/32/171331232.db2.gz PKVZVKVBJXFHAB-YJBOKZPZSA-N 2 2 274.452 3.945 10 0 CHAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000021814092 171331234 /nfs/dbraw/zinc/33/12/34/171331234.db2.gz PKVZVKVBJXFHAB-YJBOKZPZSA-N 2 2 274.452 3.945 10 0 CHAELP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccco1 ZINC000035738583 172391501 /nfs/dbraw/zinc/39/15/01/172391501.db2.gz UHKDNLNRRTVVGX-UONOGXRCSA-N 2 2 281.359 3.877 10 0 CHAELP CC[C@@H](C)C[N@H+](C)C1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000037172718 173007171 /nfs/dbraw/zinc/00/71/71/173007171.db2.gz ASPPGBDOVGVFDC-HPUBIQBYSA-N 2 2 268.489 3.898 10 0 CHAELP CC[C@@H](C)C[N@@H+](C)C1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000037172718 173007173 /nfs/dbraw/zinc/00/71/73/173007173.db2.gz ASPPGBDOVGVFDC-HPUBIQBYSA-N 2 2 268.489 3.898 10 0 CHAELP CC[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)c1ccc(C)cc1 ZINC000038028581 174017583 /nfs/dbraw/zinc/01/75/83/174017583.db2.gz BONNGBQGSFDZFZ-FUHWJXTLSA-N 2 2 274.452 3.910 10 0 CHAELP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000166170974 331306651 /nfs/dbraw/zinc/30/66/51/331306651.db2.gz JEDUNKGCLDNJQC-GXTWGEPZSA-N 2 2 280.481 3.747 10 0 CHAELP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000166170974 331306652 /nfs/dbraw/zinc/30/66/52/331306652.db2.gz JEDUNKGCLDNJQC-GXTWGEPZSA-N 2 2 280.481 3.747 10 0 CHAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000222590161 333197447 /nfs/dbraw/zinc/19/74/47/333197447.db2.gz AOIHPTYWWVGULO-RVKKMQEKSA-N 2 2 272.436 3.699 10 0 CHAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000222590161 333197448 /nfs/dbraw/zinc/19/74/48/333197448.db2.gz AOIHPTYWWVGULO-RVKKMQEKSA-N 2 2 272.436 3.699 10 0 CHAELP CSc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000246908687 334271615 /nfs/dbraw/zinc/27/16/15/334271615.db2.gz FTCUUQCFGYTAJZ-GRDNDAEWSA-N 2 2 292.492 3.788 10 0 CHAELP CSc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000246908687 334271616 /nfs/dbraw/zinc/27/16/16/334271616.db2.gz FTCUUQCFGYTAJZ-GRDNDAEWSA-N 2 2 292.492 3.788 10 0 CHAELP CCCC1CC[NH+](C2(C[NH3+])CCCCCC2)CC1 ZINC000050893317 519900645 /nfs/dbraw/zinc/90/06/45/519900645.db2.gz VDKXDDVABCDJKX-UHFFFAOYSA-N 2 2 252.446 3.550 10 0 CHAELP CCCCCC[C@@](C)(C[NH3+])[N@H+](C)Cc1scnc1C ZINC000104449322 186006279 /nfs/dbraw/zinc/00/62/79/186006279.db2.gz VMVFSDHASQBFOV-HNNXBMFYSA-N 2 2 283.485 3.571 10 0 CHAELP CCCCCC[C@@](C)(C[NH3+])[N@@H+](C)Cc1scnc1C ZINC000104449322 186006280 /nfs/dbraw/zinc/00/62/80/186006280.db2.gz VMVFSDHASQBFOV-HNNXBMFYSA-N 2 2 283.485 3.571 10 0 CHAELP CCCCCCn1c2ccccc2[nH+]c1NCC[NH+](C)C ZINC000006856498 170249747 /nfs/dbraw/zinc/24/97/47/170249747.db2.gz VKWZVSQPACVXQL-UHFFFAOYSA-N 2 2 288.439 3.590 10 0 CHAELP CCCC[NH+](CCCC)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000020485398 171225002 /nfs/dbraw/zinc/22/50/02/171225002.db2.gz XIJCNBLZYZISPU-HZPDHXFCSA-N 2 2 254.462 3.939 10 0 CHAELP CCCCCC[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020520387 171233961 /nfs/dbraw/zinc/23/39/61/171233961.db2.gz OEDQUNDXYXCEBD-HZPDHXFCSA-N 2 2 256.478 3.911 10 0 CHAELP C[C@@H]1C[N@H+]([C@H]2CCCCCCCCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000020556024 171249934 /nfs/dbraw/zinc/24/99/34/171249934.db2.gz WMPHWCPDGZLZCH-MHORFTMASA-N 2 2 296.499 3.706 10 0 CHAELP C[C@@H]1C[N@@H+]([C@H]2CCCCCCCCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000020556024 171249935 /nfs/dbraw/zinc/24/99/35/171249935.db2.gz WMPHWCPDGZLZCH-MHORFTMASA-N 2 2 296.499 3.706 10 0 CHAELP CC[NH+](CC)[C@@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021011460 171287192 /nfs/dbraw/zinc/28/71/92/171287192.db2.gz HCOJJWJRCZKJNJ-HZPDHXFCSA-N 2 2 254.462 3.939 10 0 CHAELP CCC[NH+](CCC)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000021500208 171305152 /nfs/dbraw/zinc/30/51/52/171305152.db2.gz VWLOWLWGJBFENC-SOUVJXGZSA-N 2 2 254.462 3.651 10 0 CHAELP CCC[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+](CC)CC ZINC000021502205 171305849 /nfs/dbraw/zinc/30/58/49/171305849.db2.gz YNFIUYUDQLVBNL-NVXWUHKLSA-N 2 2 262.441 3.848 10 0 CHAELP CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H]([N@@H+]2CCCC[C@@H]2C)C1 ZINC000021512556 171310826 /nfs/dbraw/zinc/31/08/26/171310826.db2.gz SSPLHMMOTSOUEV-FZKCQIBNSA-N 2 2 266.473 3.793 10 0 CHAELP CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H]([N@H+]2CCCC[C@@H]2C)C1 ZINC000021512556 171310828 /nfs/dbraw/zinc/31/08/28/171310828.db2.gz SSPLHMMOTSOUEV-FZKCQIBNSA-N 2 2 266.473 3.793 10 0 CHAELP CC(C)C[C@@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC000021520190 171315678 /nfs/dbraw/zinc/31/56/78/171315678.db2.gz ANSOAVJJHDNFBO-PMPSAXMXSA-N 2 2 268.489 3.767 10 0 CHAELP Cc1cccc(C2CC([NH2+]C[C@H](C)[NH+]3CCCCC3)C2)c1 ZINC000038028927 174018451 /nfs/dbraw/zinc/01/84/51/174018451.db2.gz SLGVUAKYWXHKEP-IVMQYODDSA-N 2 2 286.463 3.705 10 0 CHAELP CCC(C)(C)C1CCC([NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000038088975 174102623 /nfs/dbraw/zinc/10/26/23/174102623.db2.gz DSIOZCGICMINCW-NFOMZHRRSA-N 2 2 254.462 3.521 10 0 CHAELP CC1CC[NH+]([C@@H](C[NH3+])c2ccc(C(C)(C)C)cc2)CC1 ZINC000038688808 174152307 /nfs/dbraw/zinc/15/23/07/174152307.db2.gz LCRUYKXOXKFUBK-KRWDZBQOSA-N 2 2 274.452 3.716 10 0 CHAELP CCCOc1ccc([C@H](C[NH3+])[NH+](CCC)CCC)cc1 ZINC000039789133 174173569 /nfs/dbraw/zinc/17/35/69/174173569.db2.gz ODKCYEIUJTYGIX-KRWDZBQOSA-N 2 2 278.440 3.597 10 0 CHAELP CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C)CC1 ZINC000042944192 174919164 /nfs/dbraw/zinc/91/91/64/174919164.db2.gz ZFESJXMRRJQAMQ-HOTGVXAUSA-N 2 2 280.843 3.850 10 0 CHAELP CCCCc1ccc([C@@H]([C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000071587072 176214012 /nfs/dbraw/zinc/21/40/12/176214012.db2.gz AVRPZTCMOASPCP-RHSMWYFYSA-N 2 2 260.425 3.513 10 0 CHAELP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180128139 329211996 /nfs/dbraw/zinc/21/19/96/329211996.db2.gz HBALWEOEQAALMB-NRMGUKERSA-N 2 2 295.430 3.759 10 0 CHAELP C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180128139 329211998 /nfs/dbraw/zinc/21/19/98/329211998.db2.gz HBALWEOEQAALMB-NRMGUKERSA-N 2 2 295.430 3.759 10 0 CHAELP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000087761855 330374208 /nfs/dbraw/zinc/37/42/08/330374208.db2.gz FFWJWGIXSFFLAF-CYBMUJFWSA-N 2 2 287.234 3.697 10 0 CHAELP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000087761855 330374209 /nfs/dbraw/zinc/37/42/09/330374209.db2.gz FFWJWGIXSFFLAF-CYBMUJFWSA-N 2 2 287.234 3.697 10 0 CHAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc3ccccc32)C1 ZINC000393346159 333078101 /nfs/dbraw/zinc/07/81/01/333078101.db2.gz FWCYEOHSLIWDMV-GOEBONIOSA-N 2 2 268.404 3.585 10 0 CHAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc3ccccc32)C1 ZINC000393346159 333078102 /nfs/dbraw/zinc/07/81/02/333078102.db2.gz FWCYEOHSLIWDMV-GOEBONIOSA-N 2 2 268.404 3.585 10 0 CHAELP CC(C)[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)[C@H](C(C)C)C[NH2+]1 ZINC000062668248 519804656 /nfs/dbraw/zinc/80/46/56/519804656.db2.gz VDQIOPDCNGLGQG-SZMVWBNQSA-N 2 2 274.452 3.702 10 0 CHAELP CC(C)[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)[C@H](C(C)C)C[NH2+]1 ZINC000062668248 519804657 /nfs/dbraw/zinc/80/46/57/519804657.db2.gz VDQIOPDCNGLGQG-SZMVWBNQSA-N 2 2 274.452 3.702 10 0 CHAELP CCC[C@@](C)(C[NH3+])[NH+]1CCC2(CCCCC2)CC1 ZINC000061818843 520909274 /nfs/dbraw/zinc/90/92/74/520909274.db2.gz FWGLFPQMFIPONJ-HNNXBMFYSA-N 2 2 252.446 3.550 10 0 CHAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000050564450 521156972 /nfs/dbraw/zinc/15/69/72/521156972.db2.gz NLIAFLIYJZBTJI-VGWMRTNUSA-N 2 2 254.462 3.664 10 0 CHAELP CCC[C@H]([NH2+]CC)[C@H](CC)[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000050564450 521156981 /nfs/dbraw/zinc/15/69/81/521156981.db2.gz NLIAFLIYJZBTJI-VGWMRTNUSA-N 2 2 254.462 3.664 10 0 CHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000119286606 522593188 /nfs/dbraw/zinc/59/31/88/522593188.db2.gz UEQMFGIILBEYEL-MRXNPFEDSA-N 2 2 275.440 3.663 10 0 CHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000119286606 522593196 /nfs/dbraw/zinc/59/31/96/522593196.db2.gz UEQMFGIILBEYEL-MRXNPFEDSA-N 2 2 275.440 3.663 10 0 CHAELP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000096747940 185111361 /nfs/dbraw/zinc/11/13/61/185111361.db2.gz GRBOJZGPSPHANX-BZUAXINKSA-N 2 2 256.478 3.767 10 0 CHAELP CC[C@H]([NH3+])Cc1ccccc1[N@H+](CC(C)C)C(C)C ZINC000104276436 185952740 /nfs/dbraw/zinc/95/27/40/185952740.db2.gz QETIQZBZHHLHBW-INIZCTEOSA-N 2 2 262.441 3.837 10 0 CHAELP CC[C@H]([NH3+])Cc1ccccc1[N@@H+](CC(C)C)C(C)C ZINC000104276436 185952741 /nfs/dbraw/zinc/95/27/41/185952741.db2.gz QETIQZBZHHLHBW-INIZCTEOSA-N 2 2 262.441 3.837 10 0 CHAELP CC[NH+](CC)[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021011458 171287202 /nfs/dbraw/zinc/28/72/02/171287202.db2.gz HCOJJWJRCZKJNJ-HOTGVXAUSA-N 2 2 254.462 3.939 10 0 CHAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021507096 171308413 /nfs/dbraw/zinc/30/84/13/171308413.db2.gz WLNXLSZAFWAAEF-PBHICJAKSA-N 2 2 274.452 3.858 10 0 CHAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021507096 171308414 /nfs/dbraw/zinc/30/84/14/171308414.db2.gz WLNXLSZAFWAAEF-PBHICJAKSA-N 2 2 274.452 3.858 10 0 CHAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021510989 171310212 /nfs/dbraw/zinc/31/02/12/171310212.db2.gz VQADWPQNARJUMQ-RZVNPHJZSA-N 2 2 290.495 3.665 10 0 CHAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000021510989 171310214 /nfs/dbraw/zinc/31/02/14/171310214.db2.gz VQADWPQNARJUMQ-RZVNPHJZSA-N 2 2 290.495 3.665 10 0 CHAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000021814091 171331395 /nfs/dbraw/zinc/33/13/95/171331395.db2.gz PKVZVKVBJXFHAB-MAUKXSAKSA-N 2 2 274.452 3.945 10 0 CHAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000021814091 171331396 /nfs/dbraw/zinc/33/13/96/171331396.db2.gz PKVZVKVBJXFHAB-MAUKXSAKSA-N 2 2 274.452 3.945 10 0 CHAELP CC1CCC(C[NH3+])([N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000035176765 172030225 /nfs/dbraw/zinc/03/02/25/172030225.db2.gz GUWDKLRVFNCEGX-YZUHTNEWSA-N 2 2 264.457 3.549 10 0 CHAELP CC1CCC(C[NH3+])([N@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000035176765 172030227 /nfs/dbraw/zinc/03/02/27/172030227.db2.gz GUWDKLRVFNCEGX-YZUHTNEWSA-N 2 2 264.457 3.549 10 0 CHAELP CCC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Cl)cc1Cl ZINC000035586352 172285551 /nfs/dbraw/zinc/28/55/51/172285551.db2.gz ABUVRTFLDLGMBS-CYBMUJFWSA-N 2 2 298.217 4.000 10 0 CHAELP CCCC[C@H](CC)[C@@H](Cc1[nH]cc[nH+]1)[NH2+]CCC ZINC000035586394 172285687 /nfs/dbraw/zinc/28/56/87/172285687.db2.gz YNYMLSTXZAVGEF-UONOGXRCSA-N 2 2 251.418 3.537 10 0 CHAELP CC[NH+](CC)[C@H](C[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000039789193 174173764 /nfs/dbraw/zinc/17/37/64/174173764.db2.gz KCPUFGQXDMCDOM-LJQANCHMSA-N 2 2 298.430 3.607 10 0 CHAELP CCC[N@H+]([C@@H]1CC[NH2+]C1)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000071314687 176120993 /nfs/dbraw/zinc/12/09/93/176120993.db2.gz SGUIUQVQYZSHSL-OWCLPIDISA-N 2 2 266.473 3.665 10 0 CHAELP CCC[N@@H+]([C@@H]1CC[NH2+]C1)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000071314687 176120995 /nfs/dbraw/zinc/12/09/95/176120995.db2.gz SGUIUQVQYZSHSL-OWCLPIDISA-N 2 2 266.473 3.665 10 0 CHAELP CC[C@H]1CC[C@@H]([NH2+]CCn2c(C)[nH+]c3ccccc32)C1 ZINC000078005399 260167863 /nfs/dbraw/zinc/16/78/63/260167863.db2.gz OHFBAEFTXBLBBG-LSDHHAIUSA-N 2 2 271.408 3.513 10 0 CHAELP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1ccc(C)cc1 ZINC000040502305 260285396 /nfs/dbraw/zinc/28/53/96/260285396.db2.gz KHZQKSKFJFZCCF-IRXDYDNUSA-N 2 2 260.425 3.520 10 0 CHAELP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1ccc(C)cc1 ZINC000040502305 260285398 /nfs/dbraw/zinc/28/53/98/260285398.db2.gz KHZQKSKFJFZCCF-IRXDYDNUSA-N 2 2 260.425 3.520 10 0 CHAELP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000222696639 333199081 /nfs/dbraw/zinc/19/90/81/333199081.db2.gz BPAKRAOZCVYJNE-JKSUJKDBSA-N 2 2 280.843 3.865 10 0 CHAELP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000222696639 333199082 /nfs/dbraw/zinc/19/90/82/333199082.db2.gz BPAKRAOZCVYJNE-JKSUJKDBSA-N 2 2 280.843 3.865 10 0 CHAELP CCC[NH2+]CCCCC[N@H+](C)c1cc(C)cc(C)c1 ZINC000052544676 519912261 /nfs/dbraw/zinc/91/22/61/519912261.db2.gz PDQWELFRSFDPHP-UHFFFAOYSA-N 2 2 262.441 3.910 10 0 CHAELP CCC[NH2+]CCCCC[N@@H+](C)c1cc(C)cc(C)c1 ZINC000052544676 519912265 /nfs/dbraw/zinc/91/22/65/519912265.db2.gz PDQWELFRSFDPHP-UHFFFAOYSA-N 2 2 262.441 3.910 10 0 CHAELP CCCCC[N@H+](C)[C@@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052454974 520154611 /nfs/dbraw/zinc/15/46/11/520154611.db2.gz KHGSPYQGUKHSBT-KRWDZBQOSA-N 2 2 262.441 3.848 10 0 CHAELP CCCCC[N@@H+](C)[C@@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052454974 520154617 /nfs/dbraw/zinc/15/46/17/520154617.db2.gz KHGSPYQGUKHSBT-KRWDZBQOSA-N 2 2 262.441 3.848 10 0 CHAELP CC[N@H+]([C@H](C[NH2+]CC(C)C)C(C)C)C1CCCC1 ZINC000052457548 521477228 /nfs/dbraw/zinc/47/72/28/521477228.db2.gz BCVCRGMTRFIXQR-MRXNPFEDSA-N 2 2 254.462 3.521 10 0 CHAELP CC[N@@H+]([C@H](C[NH2+]CC(C)C)C(C)C)C1CCCC1 ZINC000052457548 521477237 /nfs/dbraw/zinc/47/72/37/521477237.db2.gz BCVCRGMTRFIXQR-MRXNPFEDSA-N 2 2 254.462 3.521 10 0 CHAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](C)[C@@H](C)CC(C)C ZINC000052203816 521929519 /nfs/dbraw/zinc/92/95/19/521929519.db2.gz IZEVKGBRFATYJV-WMLDXEAASA-N 2 2 262.441 3.615 10 0 CHAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](C)[C@@H](C)CC(C)C ZINC000052203816 521929529 /nfs/dbraw/zinc/92/95/29/521929529.db2.gz IZEVKGBRFATYJV-WMLDXEAASA-N 2 2 262.441 3.615 10 0 CHAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccco1 ZINC000151700652 525611485 /nfs/dbraw/zinc/61/14/85/525611485.db2.gz ZIRNRAPJHKYTIM-UONOGXRCSA-N 2 2 281.359 3.877 10 0 CHAELP CCCCCC[C@@](C)(C[NH3+])[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020362591 171161768 /nfs/dbraw/zinc/16/17/68/171161768.db2.gz RTVIDVMNVCVMHZ-OAGGEKHMSA-N 2 2 254.462 3.652 10 0 CHAELP CCCCCC[C@@](C)(C[NH3+])[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020362589 171161807 /nfs/dbraw/zinc/16/18/07/171161807.db2.gz RTVIDVMNVCVMHZ-XHSDSOJGSA-N 2 2 254.462 3.652 10 0 CHAELP CCCCCC[C@@](C)(C[NH3+])[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020362589 171161809 /nfs/dbraw/zinc/16/18/09/171161809.db2.gz RTVIDVMNVCVMHZ-XHSDSOJGSA-N 2 2 254.462 3.652 10 0 CHAELP CCCC[NH+](CCCC)[C@H](C[NH3+])c1cccc(F)c1 ZINC000020484734 171224665 /nfs/dbraw/zinc/22/46/65/171224665.db2.gz RNGMUFCXIVQHGC-MRXNPFEDSA-N 2 2 266.404 3.728 10 0 CHAELP CCCC[NH+](CCCC)[C@@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000020485381 171225281 /nfs/dbraw/zinc/22/52/81/171225281.db2.gz AINZSIPMCSOFDD-HRCADAONSA-N 2 2 254.462 3.795 10 0 CHAELP CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H]([N@@H+]2CCC[C@@H](C)C2)C1 ZINC000020548636 171245824 /nfs/dbraw/zinc/24/58/24/171245824.db2.gz KMXNUYHITSISNT-WCVJEAGWSA-N 2 2 266.473 3.651 10 0 CHAELP CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H]([N@H+]2CCC[C@@H](C)C2)C1 ZINC000020548636 171245826 /nfs/dbraw/zinc/24/58/26/171245826.db2.gz KMXNUYHITSISNT-WCVJEAGWSA-N 2 2 266.473 3.651 10 0 CHAELP C[C@@H]1CCCC[N@@H+]1C1(C[NH3+])CCC(c2ccccc2)CC1 ZINC000021012168 171287489 /nfs/dbraw/zinc/28/74/89/171287489.db2.gz CIPSCAWMAZLHBV-IPJUCJBFSA-N 2 2 286.463 3.916 10 0 CHAELP C[C@@H]1CCCC[N@H+]1C1(C[NH3+])CCC(c2ccccc2)CC1 ZINC000021012168 171287490 /nfs/dbraw/zinc/28/74/90/171287490.db2.gz CIPSCAWMAZLHBV-IPJUCJBFSA-N 2 2 286.463 3.916 10 0 CHAELP CC[NH+](CC)[C@H](C[NH2+]CCC(C)C)c1ccccc1 ZINC000021517972 171313992 /nfs/dbraw/zinc/31/39/92/171313992.db2.gz OXGPLHGKCHKZNH-QGZVFWFLSA-N 2 2 262.441 3.705 10 0 CHAELP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000021789460 171323496 /nfs/dbraw/zinc/32/34/96/171323496.db2.gz HMYRWLFNLCMUFA-ZDUSSCGKSA-N 2 2 298.833 3.833 10 0 CHAELP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000021789460 171323498 /nfs/dbraw/zinc/32/34/98/171323498.db2.gz HMYRWLFNLCMUFA-ZDUSSCGKSA-N 2 2 298.833 3.833 10 0 CHAELP CC[NH+](CC)CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000021790800 171323957 /nfs/dbraw/zinc/32/39/57/171323957.db2.gz APHPNMVFWDKXPT-HUUCEWRRSA-N 2 2 254.462 3.523 10 0 CHAELP CCC[NH+](CCC)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000021814649 171331558 /nfs/dbraw/zinc/33/15/58/171331558.db2.gz MZCIELJBAXKSPV-FGTMMUONSA-N 2 2 274.452 3.772 10 0 CHAELP [NH3+]C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCCC1 ZINC000022221696 171378222 /nfs/dbraw/zinc/37/82/22/171378222.db2.gz OVEUSKGLFQTZBF-AWEZNQCLSA-N 2 2 286.341 3.581 10 0 CHAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1c(Cl)cccc1Cl ZINC000035570519 172266085 /nfs/dbraw/zinc/26/60/85/172266085.db2.gz VXDAAZWLNDXWOS-NSHDSACASA-N 2 2 284.190 3.610 10 0 CHAELP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000039789191 174173122 /nfs/dbraw/zinc/17/31/22/174173122.db2.gz KCPUFGQXDMCDOM-IBGZPJMESA-N 2 2 298.430 3.607 10 0 CHAELP C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H](C[NH3+])c1ccccc1Cl ZINC000039789078 174173546 /nfs/dbraw/zinc/17/35/46/174173546.db2.gz ZXDDCMLWQKXSQE-ZOWXZIJZSA-N 2 2 266.816 3.603 10 0 CHAELP C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H](C[NH3+])c1ccccc1Cl ZINC000039789078 174173548 /nfs/dbraw/zinc/17/35/48/174173548.db2.gz ZXDDCMLWQKXSQE-ZOWXZIJZSA-N 2 2 266.816 3.603 10 0 CHAELP CC[NH2+][C@H](C)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000044471747 175178242 /nfs/dbraw/zinc/17/82/42/175178242.db2.gz SBQGULKKCJIHLC-OAHLLOKOSA-N 2 2 266.473 3.952 10 0 CHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000106216137 261323763 /nfs/dbraw/zinc/32/37/63/261323763.db2.gz POGVUZJSCOOAIP-QGZVFWFLSA-N 2 2 283.419 3.591 10 0 CHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000106216137 261323765 /nfs/dbraw/zinc/32/37/65/261323765.db2.gz POGVUZJSCOOAIP-QGZVFWFLSA-N 2 2 283.419 3.591 10 0 CHAELP CC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1cccs1 ZINC000247150830 334276520 /nfs/dbraw/zinc/27/65/20/334276520.db2.gz SXTQTFGMVAFVDQ-RDBSUJKOSA-N 2 2 266.454 3.518 10 0 CHAELP CC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C)c1cccs1 ZINC000247150830 334276521 /nfs/dbraw/zinc/27/65/21/334276521.db2.gz SXTQTFGMVAFVDQ-RDBSUJKOSA-N 2 2 266.454 3.518 10 0 CHAELP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248121871 334295208 /nfs/dbraw/zinc/29/52/08/334295208.db2.gz NLUOPVQNJGHPIG-IRXDYDNUSA-N 2 2 295.430 3.885 10 0 CHAELP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248121871 334295210 /nfs/dbraw/zinc/29/52/10/334295210.db2.gz NLUOPVQNJGHPIG-IRXDYDNUSA-N 2 2 295.430 3.885 10 0 CHAELP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251829224 334370542 /nfs/dbraw/zinc/37/05/42/334370542.db2.gz ZBSBQWPSHFVNTB-QGTPRVQTSA-N 2 2 286.463 3.871 10 0 CHAELP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251829224 334370543 /nfs/dbraw/zinc/37/05/43/334370543.db2.gz ZBSBQWPSHFVNTB-QGTPRVQTSA-N 2 2 286.463 3.871 10 0 CHAELP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000381038947 336046294 /nfs/dbraw/zinc/04/62/94/336046294.db2.gz DBGBOFBJYMUORF-JYJNAYRXSA-N 2 2 262.441 3.531 10 0 CHAELP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000381038947 336046296 /nfs/dbraw/zinc/04/62/96/336046296.db2.gz DBGBOFBJYMUORF-JYJNAYRXSA-N 2 2 262.441 3.531 10 0 CHAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000049196467 519814763 /nfs/dbraw/zinc/81/47/63/519814763.db2.gz ZSJADYXZZYAUBF-DOMZBBRYSA-N 2 2 268.832 3.577 10 0 CHAELP CCC[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1Cl ZINC000052372028 519919328 /nfs/dbraw/zinc/91/93/28/519919328.db2.gz XLTXVSHVOGGNQP-ZDUSSCGKSA-N 2 2 268.832 3.550 10 0 CHAELP CCC[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1Cl ZINC000052372028 519919331 /nfs/dbraw/zinc/91/93/31/519919331.db2.gz XLTXVSHVOGGNQP-ZDUSSCGKSA-N 2 2 268.832 3.550 10 0 CHAELP Cc1cc2[nH+]cn([C@H](C)C[NH2+]C(C)(C)C)c2cc1C ZINC000052575713 525685539 /nfs/dbraw/zinc/68/55/39/525685539.db2.gz SNFCCJGVUXHEPU-CYBMUJFWSA-N 2 2 259.397 3.602 10 0 CHAELP CCCn1cc(C[NH2+]C[C@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000057353487 567895122 /nfs/dbraw/zinc/89/51/22/567895122.db2.gz IPYSMMQHJQWOJY-QGZVFWFLSA-N 2 2 299.462 3.625 10 0 CHAELP CCOc1ccc([C@H](C[NH3+])[N@H+](C)CC2CCCCC2)cc1 ZINC000020226257 171091872 /nfs/dbraw/zinc/09/18/72/171091872.db2.gz RZOJSLJENHCKIX-SFHVURJKSA-N 2 2 290.451 3.597 10 0 CHAELP CCOc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CCCCC2)cc1 ZINC000020226257 171091873 /nfs/dbraw/zinc/09/18/73/171091873.db2.gz RZOJSLJENHCKIX-SFHVURJKSA-N 2 2 290.451 3.597 10 0 CHAELP CCCC[NH+](CCCC)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000020362693 171161422 /nfs/dbraw/zinc/16/14/22/171161422.db2.gz QTKWKJAEBOXCAF-HOTGVXAUSA-N 2 2 254.462 3.796 10 0 CHAELP CCCC[NH+](CCCC)[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000020362691 171161594 /nfs/dbraw/zinc/16/15/94/171161594.db2.gz QTKWKJAEBOXCAF-CVEARBPZSA-N 2 2 254.462 3.796 10 0 CHAELP CCCC[NH+](CCCC)[C@@H](C[NH3+])c1cccs1 ZINC000020484837 171224505 /nfs/dbraw/zinc/22/45/05/171224505.db2.gz GETOCYUNYOFTCU-ZDUSSCGKSA-N 2 2 254.443 3.650 10 0 CHAELP [NH3+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1[NH+]1CCCCCC1 ZINC000021039140 171292995 /nfs/dbraw/zinc/29/29/95/171292995.db2.gz HRTQGENBYQAFPX-KURKYZTESA-N 2 2 272.436 3.526 10 0 CHAELP CCC1CCC(C[NH3+])([N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000035176780 172029768 /nfs/dbraw/zinc/02/97/68/172029768.db2.gz WNQVWQOWSXNPHK-SAGYGOJTSA-N 2 2 278.484 3.939 10 0 CHAELP CCC1CCC(C[NH3+])([N@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000035176780 172029769 /nfs/dbraw/zinc/02/97/69/172029769.db2.gz WNQVWQOWSXNPHK-SAGYGOJTSA-N 2 2 278.484 3.939 10 0 CHAELP CC1CCC(C[NH3+])([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000035176763 172030367 /nfs/dbraw/zinc/03/03/67/172030367.db2.gz GUWDKLRVFNCEGX-GMRIPVOYSA-N 2 2 264.457 3.549 10 0 CHAELP CC1CCC(C[NH3+])([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000035176763 172030370 /nfs/dbraw/zinc/03/03/70/172030370.db2.gz GUWDKLRVFNCEGX-GMRIPVOYSA-N 2 2 264.457 3.549 10 0 CHAELP C[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccco1 ZINC000035738585 172391506 /nfs/dbraw/zinc/39/15/06/172391506.db2.gz UHKDNLNRRTVVGX-ZIAGYGMSSA-N 2 2 281.359 3.877 10 0 CHAELP CC[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc(C)c(C)c1 ZINC000037180040 173013220 /nfs/dbraw/zinc/01/32/20/173013220.db2.gz VBBBHXLRNBNTOG-SJORKVTESA-N 2 2 260.425 3.568 10 0 CHAELP CC[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc(C)c(C)c1 ZINC000037180040 173013219 /nfs/dbraw/zinc/01/32/19/173013219.db2.gz VBBBHXLRNBNTOG-SJORKVTESA-N 2 2 260.425 3.568 10 0 CHAELP CC(C)[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000038029123 174019831 /nfs/dbraw/zinc/01/98/31/174019831.db2.gz PIRMLLPUGFLCJA-FUHWJXTLSA-N 2 2 274.452 3.848 10 0 CHAELP CCCOc1ccc([C@@H](C[NH3+])[NH+](CCC)CCC)cc1 ZINC000039789135 174173401 /nfs/dbraw/zinc/17/34/01/174173401.db2.gz ODKCYEIUJTYGIX-QGZVFWFLSA-N 2 2 278.440 3.597 10 0 CHAELP [NH3+][C@@H]1CCC[C@H](c2[nH]cc(-c3cccc(Cl)c3)[nH+]2)C1 ZINC000070578973 175994351 /nfs/dbraw/zinc/99/43/51/175994351.db2.gz YPGLJRGOGZCNGF-WCQYABFASA-N 2 2 275.783 3.715 10 0 CHAELP CCC[N@H+]([C@@H](C)c1ccc(F)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071314606 176120949 /nfs/dbraw/zinc/12/09/49/176120949.db2.gz GURHKAUHMMLSFL-WCQYABFASA-N 2 2 284.806 3.614 10 0 CHAELP CCC[N@@H+]([C@@H](C)c1ccc(F)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071314606 176120951 /nfs/dbraw/zinc/12/09/51/176120951.db2.gz GURHKAUHMMLSFL-WCQYABFASA-N 2 2 284.806 3.614 10 0 CHAELP CCC[N@H+]([C@H]1CC[NH2+]C1)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000071314688 176121320 /nfs/dbraw/zinc/12/13/20/176121320.db2.gz SGUIUQVQYZSHSL-HRCADAONSA-N 2 2 266.473 3.665 10 0 CHAELP CCC[N@@H+]([C@H]1CC[NH2+]C1)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000071314688 176121321 /nfs/dbraw/zinc/12/13/21/176121321.db2.gz SGUIUQVQYZSHSL-HRCADAONSA-N 2 2 266.473 3.665 10 0 CHAELP CC[C@@H]([NH2+][C@H]1CCC[N@H+](CC)C1)c1ccc(C)cc1 ZINC000040502306 260285468 /nfs/dbraw/zinc/28/54/68/260285468.db2.gz KHZQKSKFJFZCCF-DLBZAZTESA-N 2 2 260.425 3.520 10 0 CHAELP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)c1ccc(C)cc1 ZINC000040502306 260285470 /nfs/dbraw/zinc/28/54/70/260285470.db2.gz KHZQKSKFJFZCCF-DLBZAZTESA-N 2 2 260.425 3.520 10 0 CHAELP CC[C@@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)C(C)C ZINC000090050722 327176882 /nfs/dbraw/zinc/17/68/82/327176882.db2.gz JCDQHMCGOHGWEJ-CQSZACIVSA-N 2 2 273.424 3.530 10 0 CHAELP c1cncc(C[NH+]2CCC([NH2+]CCC3=CCCCC3)CC2)c1 ZINC000130947512 329629845 /nfs/dbraw/zinc/62/98/45/329629845.db2.gz PFJMRIXDOVGLFN-UHFFFAOYSA-N 2 2 299.462 3.526 10 0 CHAELP C[C@@H](C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000116878239 330361135 /nfs/dbraw/zinc/36/11/35/330361135.db2.gz FVNUEDUDGRJIID-DLBZAZTESA-N 2 2 295.430 3.619 10 0 CHAELP C[C@@H](C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)c1ccccc1 ZINC000116878239 330361136 /nfs/dbraw/zinc/36/11/36/330361136.db2.gz FVNUEDUDGRJIID-DLBZAZTESA-N 2 2 295.430 3.619 10 0 CHAELP CCCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000219161669 333143053 /nfs/dbraw/zinc/14/30/53/333143053.db2.gz FHFJLCPEXSFELI-IAGOWNOFSA-N 2 2 260.425 3.602 10 0 CHAELP CCCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000219161669 333143054 /nfs/dbraw/zinc/14/30/54/333143054.db2.gz FHFJLCPEXSFELI-IAGOWNOFSA-N 2 2 260.425 3.602 10 0 CHAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000068635124 333716930 /nfs/dbraw/zinc/71/69/30/333716930.db2.gz XSUXXHYPWGPQNH-RUXDESIVSA-N 2 2 294.405 3.673 10 0 CHAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000049196464 519793987 /nfs/dbraw/zinc/79/39/87/519793987.db2.gz ZSJADYXZZYAUBF-IUODEOHRSA-N 2 2 268.832 3.577 10 0 CHAELP CC(C)C[NH2+]C[C@H](C(C)C)[N@H+](CC(C)C)C(C)C ZINC000052572489 519745596 /nfs/dbraw/zinc/74/55/96/519745596.db2.gz UUGMATQSEPODMF-MRXNPFEDSA-N 2 2 256.478 3.623 10 0 CHAELP CC(C)C[NH2+]C[C@H](C(C)C)[N@@H+](CC(C)C)C(C)C ZINC000052572489 519745597 /nfs/dbraw/zinc/74/55/97/519745597.db2.gz UUGMATQSEPODMF-MRXNPFEDSA-N 2 2 256.478 3.623 10 0 CHAELP CC[C@@H](C)C[C@@](CC)(C[NH3+])[NH+]1Cc2ccccc2C1 ZINC000050910689 522021548 /nfs/dbraw/zinc/02/15/48/522021548.db2.gz SPTWBYOMVXNMBS-PBHICJAKSA-N 2 2 260.425 3.546 10 0 CHAELP C[C@@H]1[C@@H](C)CCC[N@H+]1C1(C[NH3+])CCCCCCC1 ZINC000050563945 525640737 /nfs/dbraw/zinc/64/07/37/525640737.db2.gz QPJVUZLYGCCZSY-LSDHHAIUSA-N 2 2 252.446 3.549 10 0 CHAELP C[C@@H]1[C@@H](C)CCC[N@@H+]1C1(C[NH3+])CCCCCCC1 ZINC000050563945 525640742 /nfs/dbraw/zinc/64/07/42/525640742.db2.gz QPJVUZLYGCCZSY-LSDHHAIUSA-N 2 2 252.446 3.549 10 0 CHAELP Cc1[nH]c(C[NH2+][C@@H](CC(C)C)c2ccccc2)c[nH+]1 ZINC000054821912 526890260 /nfs/dbraw/zinc/89/02/60/526890260.db2.gz NGCNGLFWMAYFHS-INIZCTEOSA-N 2 2 257.381 3.595 10 0 CHAELP