smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc(C[NH+]2CCOCC2)c1 ZINC000077329472 1103202466 /nfs/dbraw/zinc/20/24/66/1103202466.db2.gz DQRLRFFSTVPHKP-UHFFFAOYSA-N 2 2 338.451 2.744 10 10 EFCELP CCO[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)C[NH+](C)C ZINC000926957416 1108267241 /nfs/dbraw/zinc/26/72/41/1108267241.db2.gz BHSAHTGCRIDXNY-YPMHNXCESA-N 2 2 345.281 2.772 10 10 EFCELP CCC[N@@H+](c1ccc(C[NH3+])cc1)C1CCC(CS(C)(=O)=O)CC1 ZINC000294493064 283308319 /nfs/dbraw/zinc/30/83/19/283308319.db2.gz BEYMGOWECWQWMB-UHFFFAOYSA-N 2 2 338.517 2.965 10 10 EFCELP CCC[N@H+](c1ccc(C[NH3+])cc1)C1CCC(CS(C)(=O)=O)CC1 ZINC000294493064 283308322 /nfs/dbraw/zinc/30/83/22/283308322.db2.gz BEYMGOWECWQWMB-UHFFFAOYSA-N 2 2 338.517 2.965 10 10 EFCELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(F)ccc2O)C1 ZINC000190489873 473294693 /nfs/dbraw/zinc/29/46/93/473294693.db2.gz FOZDZRDERVFGPG-INIZCTEOSA-N 2 2 329.419 2.880 10 10 EFCELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(F)ccc2O)C1 ZINC000190489873 473294703 /nfs/dbraw/zinc/29/47/03/473294703.db2.gz FOZDZRDERVFGPG-INIZCTEOSA-N 2 2 329.419 2.880 10 10 EFCELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000190489873 473294710 /nfs/dbraw/zinc/29/47/10/473294710.db2.gz FOZDZRDERVFGPG-INIZCTEOSA-N 2 2 329.419 2.880 10 10 EFCELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000190489873 473294716 /nfs/dbraw/zinc/29/47/16/473294716.db2.gz FOZDZRDERVFGPG-INIZCTEOSA-N 2 2 329.419 2.880 10 10 EFCELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cc(C)ccc2O)nc[nH+]1 ZINC000185992290 473566808 /nfs/dbraw/zinc/56/68/08/473566808.db2.gz ZBWBFHOEZMRWRY-HUUCEWRRSA-N 2 2 341.459 2.852 10 10 EFCELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(C)cc2O)nc[nH+]1 ZINC000185992711 473567067 /nfs/dbraw/zinc/56/70/67/473567067.db2.gz NRVDRJVGNNBAOU-GJZGRUSLSA-N 2 2 341.459 2.852 10 10 EFCELP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1O ZINC000180032087 473782054 /nfs/dbraw/zinc/78/20/54/473782054.db2.gz RJOKTWUWQDSPOP-HNNXBMFYSA-N 2 2 338.879 2.898 10 10 EFCELP Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1O ZINC000180032087 473782063 /nfs/dbraw/zinc/78/20/63/473782063.db2.gz RJOKTWUWQDSPOP-HNNXBMFYSA-N 2 2 338.879 2.898 10 10 EFCELP C[N@H+](Cc1cccc(Cl)c1O)C1CC[NH+](CCn2cccn2)CC1 ZINC000180095671 473797188 /nfs/dbraw/zinc/79/71/88/473797188.db2.gz HQRKCIZTDLMLDR-UHFFFAOYSA-N 2 2 348.878 2.839 10 10 EFCELP C[N@@H+](Cc1cccc(Cl)c1O)C1CC[NH+](CCn2cccn2)CC1 ZINC000180095671 473797194 /nfs/dbraw/zinc/79/71/94/473797194.db2.gz HQRKCIZTDLMLDR-UHFFFAOYSA-N 2 2 348.878 2.839 10 10 EFCELP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293581143 475042056 /nfs/dbraw/zinc/04/20/56/475042056.db2.gz JRZUDUYWYSKLOF-CYBMUJFWSA-N 2 2 343.874 2.548 10 10 EFCELP Fc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ccc1N1CCOCC1 ZINC000769427511 577361961 /nfs/dbraw/zinc/36/19/61/577361961.db2.gz MNBCOVUBRYYPOZ-UHFFFAOYSA-N 2 2 344.434 2.765 10 10 EFCELP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000817941889 1276387343 /nfs/dbraw/zinc/38/73/43/1276387343.db2.gz LPGIXJZDFHHPBY-AJYBTWMASA-N 2 2 331.504 2.937 10 10 EFCELP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1 ZINC000817942561 1276389212 /nfs/dbraw/zinc/38/92/12/1276389212.db2.gz PPHBJUXFMNTZRG-IJXRJRJASA-N 2 2 331.504 2.937 10 10 EFCELP COc1ccc(N2CCC([NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)CC2)cc1 ZINC000810252341 1283106150 /nfs/dbraw/zinc/10/61/50/1283106150.db2.gz BXOCJFYZZNVTLC-OAHLLOKOSA-N 2 2 326.444 2.534 10 10 EFCELP C[NH+]1CCN(c2ccc(Cn3c[nH+]c4c3CCCC4)cc2F)CC1 ZINC001351627945 1333259681 /nfs/dbraw/zinc/25/96/81/1333259681.db2.gz MANUSMIBSJCCES-UHFFFAOYSA-N 2 2 328.435 2.701 10 10 EFCELP CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929922 1334995127 /nfs/dbraw/zinc/99/51/27/1334995127.db2.gz LLGXDUBXJFHBHN-GUWAZMKPSA-N 2 2 343.515 2.953 10 10 EFCELP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929922 1334995132 /nfs/dbraw/zinc/99/51/32/1334995132.db2.gz LLGXDUBXJFHBHN-GUWAZMKPSA-N 2 2 343.515 2.953 10 10 EFCELP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)c(F)cc1O ZINC000925787368 718019203 /nfs/dbraw/zinc/01/92/03/718019203.db2.gz YQCCJHIVFZDSGJ-BBBLOLIVSA-N 2 2 331.229 2.800 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000840710062 723900544 /nfs/dbraw/zinc/90/05/44/723900544.db2.gz HRFMIIIFNNSFHE-SQGPQFPESA-N 2 2 331.504 2.841 10 10 EFCELP c1cn(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cc2)c[nH+]1 ZINC000067222185 1101502281 /nfs/dbraw/zinc/50/22/81/1101502281.db2.gz DZPMEHVSXLJXGY-UHFFFAOYSA-N 2 2 348.450 2.999 10 10 EFCELP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(O)c1 ZINC000248515198 240291196 /nfs/dbraw/zinc/29/11/96/240291196.db2.gz NYJBKVOHPLOXTO-QXAKKESOSA-N 2 2 340.467 2.987 10 10 EFCELP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(O)c1 ZINC000248515198 240291199 /nfs/dbraw/zinc/29/11/99/240291199.db2.gz NYJBKVOHPLOXTO-QXAKKESOSA-N 2 2 340.467 2.987 10 10 EFCELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(F)ccc1O ZINC000184992428 473294602 /nfs/dbraw/zinc/29/46/02/473294602.db2.gz HBVGQGUEKZVTIW-KDOFPFPSSA-N 2 2 344.430 2.601 10 10 EFCELP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(F)ccc1O ZINC000184992428 473294606 /nfs/dbraw/zinc/29/46/06/473294606.db2.gz HBVGQGUEKZVTIW-KDOFPFPSSA-N 2 2 344.430 2.601 10 10 EFCELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(F)ccc2O)C1 ZINC000190489893 473294395 /nfs/dbraw/zinc/29/43/95/473294395.db2.gz FOZDZRDERVFGPG-MRXNPFEDSA-N 2 2 329.419 2.880 10 10 EFCELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(F)ccc2O)C1 ZINC000190489893 473294406 /nfs/dbraw/zinc/29/44/06/473294406.db2.gz FOZDZRDERVFGPG-MRXNPFEDSA-N 2 2 329.419 2.880 10 10 EFCELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000190489893 473294413 /nfs/dbraw/zinc/29/44/13/473294413.db2.gz FOZDZRDERVFGPG-MRXNPFEDSA-N 2 2 329.419 2.880 10 10 EFCELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000190489893 473294417 /nfs/dbraw/zinc/29/44/17/473294417.db2.gz FOZDZRDERVFGPG-MRXNPFEDSA-N 2 2 329.419 2.880 10 10 EFCELP CC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1O ZINC000156501621 472716241 /nfs/dbraw/zinc/71/62/41/472716241.db2.gz YISOLRWGJJBUHH-HOCLYGCPSA-N 2 2 341.459 2.934 10 10 EFCELP Cc1cc(O)c(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C ZINC000121206335 472815356 /nfs/dbraw/zinc/81/53/56/472815356.db2.gz FHHGFOVKNHKDBW-UHFFFAOYSA-N 2 2 342.487 2.802 10 10 EFCELP C[N@H+](Cc1cc(Cl)ccc1O)C1CC[NH+](CCn2cccn2)CC1 ZINC000121209977 472816799 /nfs/dbraw/zinc/81/67/99/472816799.db2.gz MSSVKWYAGXUYML-UHFFFAOYSA-N 2 2 348.878 2.839 10 10 EFCELP C[N@@H+](Cc1cc(Cl)ccc1O)C1CC[NH+](CCn2cccn2)CC1 ZINC000121209977 472816804 /nfs/dbraw/zinc/81/68/04/472816804.db2.gz MSSVKWYAGXUYML-UHFFFAOYSA-N 2 2 348.878 2.839 10 10 EFCELP COc1c(O)c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000278555741 474701900 /nfs/dbraw/zinc/70/19/00/474701900.db2.gz AOHFAVDISHUWFG-SWLSCSKDSA-N 2 2 346.387 2.589 10 10 EFCELP COc1c(O)c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000278555741 474701908 /nfs/dbraw/zinc/70/19/08/474701908.db2.gz AOHFAVDISHUWFG-SWLSCSKDSA-N 2 2 346.387 2.589 10 10 EFCELP CC(=O)c1cc(F)cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1O ZINC000175650841 527209372 /nfs/dbraw/zinc/20/93/72/527209372.db2.gz CJQKYGQQZOMBRX-UHFFFAOYSA-N 2 2 345.418 2.922 10 10 EFCELP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1O ZINC000175812162 527209671 /nfs/dbraw/zinc/20/96/71/527209671.db2.gz VOZPMBUXTXDMIQ-MRXNPFEDSA-N 2 2 331.391 2.903 10 10 EFCELP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1O ZINC000175812162 527209679 /nfs/dbraw/zinc/20/96/79/527209679.db2.gz VOZPMBUXTXDMIQ-MRXNPFEDSA-N 2 2 331.391 2.903 10 10 EFCELP CC(C)[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CC[NH+](C)CC1 ZINC000294159015 535016594 /nfs/dbraw/zinc/01/65/94/535016594.db2.gz ILHOQUCQGODMPE-INIZCTEOSA-N 2 2 343.874 2.546 10 10 EFCELP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715769024 1264914684 /nfs/dbraw/zinc/91/46/84/1264914684.db2.gz IBRYPHTYXZGVBP-JTQLQIEISA-N 2 2 331.229 2.855 10 10 EFCELP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715769024 1264914692 /nfs/dbraw/zinc/91/46/92/1264914692.db2.gz IBRYPHTYXZGVBP-JTQLQIEISA-N 2 2 331.229 2.855 10 10 EFCELP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000817941893 1276386974 /nfs/dbraw/zinc/38/69/74/1276386974.db2.gz LPGIXJZDFHHPBY-PNYFIKQUSA-N 2 2 331.504 2.937 10 10 EFCELP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 ZINC000817942565 1276389266 /nfs/dbraw/zinc/38/92/66/1276389266.db2.gz PPHBJUXFMNTZRG-VBSBHUPXSA-N 2 2 331.504 2.937 10 10 EFCELP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Br)c(F)cc1O ZINC000817954104 1276398080 /nfs/dbraw/zinc/39/80/80/1276398080.db2.gz BSRRCOPWCDOJIJ-VHSXEESVSA-N 2 2 331.229 2.944 10 10 EFCELP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1O ZINC000817984494 1276424180 /nfs/dbraw/zinc/42/41/80/1276424180.db2.gz YWUNTSLVBDJJPR-HTWSVDAQSA-N 2 2 335.467 2.788 10 10 EFCELP C[NH+]1CCN(c2ccc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cc2)CC1 ZINC000775665444 1293961589 /nfs/dbraw/zinc/96/15/89/1293961589.db2.gz BQHUKRMGNZSKJL-UHFFFAOYSA-N 3 2 339.487 2.541 10 10 EFCELP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C2(CCC2)CO1 ZINC001327310780 1330457573 /nfs/dbraw/zinc/45/75/73/1330457573.db2.gz HCNQQKPXKUAAKA-MRXNPFEDSA-N 2 2 347.478 2.721 10 10 EFCELP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C2(CCC2)CO1 ZINC001327310780 1330457578 /nfs/dbraw/zinc/45/75/78/1330457578.db2.gz HCNQQKPXKUAAKA-MRXNPFEDSA-N 2 2 347.478 2.721 10 10 EFCELP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000184991896 473294889 /nfs/dbraw/zinc/29/48/89/473294889.db2.gz SWIBOQUYTRMZNW-APWZRJJASA-N 2 2 340.467 2.770 10 10 EFCELP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000184991896 473294894 /nfs/dbraw/zinc/29/48/94/473294894.db2.gz SWIBOQUYTRMZNW-APWZRJJASA-N 2 2 340.467 2.770 10 10 EFCELP C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000091960309 472833024 /nfs/dbraw/zinc/83/30/24/472833024.db2.gz NSCIIRCTHBIUFG-XLIONFOSSA-N 2 2 340.471 2.803 10 10 EFCELP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000091960309 472833029 /nfs/dbraw/zinc/83/30/29/472833029.db2.gz NSCIIRCTHBIUFG-XLIONFOSSA-N 2 2 340.471 2.803 10 10 EFCELP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(O)c1 ZINC000186194038 473612753 /nfs/dbraw/zinc/61/27/53/473612753.db2.gz NYJBKVOHPLOXTO-WDSOQIARSA-N 2 2 340.467 2.987 10 10 EFCELP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(O)c1 ZINC000186194038 473612757 /nfs/dbraw/zinc/61/27/57/473612757.db2.gz NYJBKVOHPLOXTO-WDSOQIARSA-N 2 2 340.467 2.987 10 10 EFCELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000180125826 473805765 /nfs/dbraw/zinc/80/57/65/473805765.db2.gz ZGMAVEUQMZNDHL-HXUWFJFHSA-N 2 2 340.471 2.693 10 10 EFCELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000180125826 473805772 /nfs/dbraw/zinc/80/57/72/473805772.db2.gz ZGMAVEUQMZNDHL-HXUWFJFHSA-N 2 2 340.471 2.693 10 10 EFCELP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293640262 475045722 /nfs/dbraw/zinc/04/57/22/475045722.db2.gz NVZDUGNBOSPZPN-CYBMUJFWSA-N 2 2 330.831 2.511 10 10 EFCELP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293640262 475045734 /nfs/dbraw/zinc/04/57/34/475045734.db2.gz NVZDUGNBOSPZPN-CYBMUJFWSA-N 2 2 330.831 2.511 10 10 EFCELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000756121952 575688548 /nfs/dbraw/zinc/68/85/48/575688548.db2.gz SCMDUUFSBUTNHG-CKEIUWERSA-N 2 2 339.430 2.797 10 10 EFCELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000756121952 575688550 /nfs/dbraw/zinc/68/85/50/575688550.db2.gz SCMDUUFSBUTNHG-CKEIUWERSA-N 2 2 339.430 2.797 10 10 EFCELP CCOc1cccc(C[NH+]2CCC(CC)([NH+]3CCOCC3)CC2)c1O ZINC000862535630 1302408243 /nfs/dbraw/zinc/40/82/43/1302408243.db2.gz UMZQHBHBOZBMME-UHFFFAOYSA-N 2 2 348.487 2.868 10 10 EFCELP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000794835125 1303220989 /nfs/dbraw/zinc/22/09/89/1303220989.db2.gz IIGSCPDQIXZDOK-JEYLPNPQSA-N 2 2 332.444 2.846 10 10 EFCELP [NH3+]CC1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708087453 1092972493 /nfs/dbraw/zinc/97/24/93/1092972493.db2.gz BZCMVNIHTISSDR-UHFFFAOYSA-N 2 2 333.657 2.979 10 10 EFCELP CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1O ZINC000156501731 472716385 /nfs/dbraw/zinc/71/63/85/472716385.db2.gz YISOLRWGJJBUHH-GOEBONIOSA-N 2 2 341.459 2.934 10 10 EFCELP CCCOc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c(O)c1 ZINC000092079643 472856775 /nfs/dbraw/zinc/85/67/75/472856775.db2.gz VBEVJIQZFHHOLJ-INIZCTEOSA-N 2 2 348.487 2.866 10 10 EFCELP CCCOc1ccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(O)c1 ZINC000092079643 472856780 /nfs/dbraw/zinc/85/67/80/472856780.db2.gz VBEVJIQZFHHOLJ-INIZCTEOSA-N 2 2 348.487 2.866 10 10 EFCELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093147350 473052773 /nfs/dbraw/zinc/05/27/73/473052773.db2.gz FXVIQQXWTYUURY-KRWDZBQOSA-N 2 2 337.895 2.648 10 10 EFCELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093147350 473052775 /nfs/dbraw/zinc/05/27/75/473052775.db2.gz FXVIQQXWTYUURY-KRWDZBQOSA-N 2 2 337.895 2.648 10 10 EFCELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(F)cc2O)nc[nH+]1 ZINC000185992393 473566866 /nfs/dbraw/zinc/56/68/66/473566866.db2.gz VDASFGCHVKLJRM-TZMCWYRMSA-N 2 2 345.422 2.683 10 10 EFCELP COc1cc(O)c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000179986898 473771631 /nfs/dbraw/zinc/77/16/31/473771631.db2.gz GHMQVRXJJDMVLO-AWEZNQCLSA-N 2 2 343.427 2.738 10 10 EFCELP COc1cc(O)c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000179986898 473771640 /nfs/dbraw/zinc/77/16/40/473771640.db2.gz GHMQVRXJJDMVLO-AWEZNQCLSA-N 2 2 343.427 2.738 10 10 EFCELP COc1c(O)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000278555754 474700425 /nfs/dbraw/zinc/70/04/25/474700425.db2.gz AOHFAVDISHUWFG-WFASDCNBSA-N 2 2 346.387 2.589 10 10 EFCELP COc1c(O)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000278555754 474700433 /nfs/dbraw/zinc/70/04/33/474700433.db2.gz AOHFAVDISHUWFG-WFASDCNBSA-N 2 2 346.387 2.589 10 10 EFCELP CC1([NH+]2CCOCC2)CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000530104975 477877293 /nfs/dbraw/zinc/87/72/93/477877293.db2.gz MQQMHRRYVKGTSN-UHFFFAOYSA-N 2 2 330.472 2.568 10 10 EFCELP CCOc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1O ZINC000236893105 535456008 /nfs/dbraw/zinc/45/60/08/535456008.db2.gz KYRYVXBHFYOENJ-UHFFFAOYSA-N 2 2 327.428 2.945 10 10 EFCELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000756121961 575688570 /nfs/dbraw/zinc/68/85/70/575688570.db2.gz SCMDUUFSBUTNHG-KEYYUXOJSA-N 2 2 339.430 2.797 10 10 EFCELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000756121961 575688574 /nfs/dbraw/zinc/68/85/74/575688574.db2.gz SCMDUUFSBUTNHG-KEYYUXOJSA-N 2 2 339.430 2.797 10 10 EFCELP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 ZINC000817942563 1276389254 /nfs/dbraw/zinc/38/92/54/1276389254.db2.gz PPHBJUXFMNTZRG-MTFMMBMASA-N 2 2 331.504 2.937 10 10 EFCELP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Br)c(F)cc1O ZINC000817954105 1276398112 /nfs/dbraw/zinc/39/81/12/1276398112.db2.gz BSRRCOPWCDOJIJ-ZJUUUORDSA-N 2 2 331.229 2.944 10 10 EFCELP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(Br)c(F)cc1O ZINC000817972093 1276415732 /nfs/dbraw/zinc/41/57/32/1276415732.db2.gz SXRFMYLBGUTOHJ-MWODSPESSA-N 2 2 331.229 2.942 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3C[C@H](C)[C@@H]3C)CC2)cc1 ZINC000813854520 1286144902 /nfs/dbraw/zinc/14/49/02/1286144902.db2.gz FDLFJBSOAOOLRB-ABSDTBQOSA-N 2 2 331.504 2.841 10 10 EFCELP Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903957345 1313486900 /nfs/dbraw/zinc/48/69/00/1313486900.db2.gz PYEQQGSKSTYKTR-NSHDSACASA-N 2 2 349.219 2.798 10 10 EFCELP CCC(C)(C)OC1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000862470444 1302392275 /nfs/dbraw/zinc/39/22/75/1302392275.db2.gz PPPWWTUIDVKABB-UHFFFAOYSA-N 2 2 331.504 2.828 10 10 EFCELP Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000863653065 1302670968 /nfs/dbraw/zinc/67/09/68/1302670968.db2.gz ZMQCFBWIAIQZEC-IYBDPMFKSA-N 2 2 339.277 2.895 10 10 EFCELP Cc1cc(Br)c(O)c(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000863653065 1302670978 /nfs/dbraw/zinc/67/09/78/1302670978.db2.gz ZMQCFBWIAIQZEC-IYBDPMFKSA-N 2 2 339.277 2.895 10 10 EFCELP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@](C)(C4CC4)C3)cc2F)CC1 ZINC001327924937 1330530880 /nfs/dbraw/zinc/53/08/80/1330530880.db2.gz YGOWJRCJTYXEDW-HXUWFJFHSA-N 2 2 347.478 2.578 10 10 EFCELP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@](C)(C4CC4)C3)cc2F)CC1 ZINC001327924937 1330530881 /nfs/dbraw/zinc/53/08/81/1330530881.db2.gz YGOWJRCJTYXEDW-HXUWFJFHSA-N 2 2 347.478 2.578 10 10 EFCELP CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929924 1334994816 /nfs/dbraw/zinc/99/48/16/1334994816.db2.gz LLGXDUBXJFHBHN-LAEWNIMASA-N 2 2 343.515 2.953 10 10 EFCELP CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929924 1334994822 /nfs/dbraw/zinc/99/48/22/1334994822.db2.gz LLGXDUBXJFHBHN-LAEWNIMASA-N 2 2 343.515 2.953 10 10 EFCELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000849350221 1335596531 /nfs/dbraw/zinc/59/65/31/1335596531.db2.gz VBRYHQCFOKCFBV-OALUTQOASA-N 2 2 326.440 2.945 10 10 EFCELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000849349616 1335596862 /nfs/dbraw/zinc/59/68/62/1335596862.db2.gz CTNDQOULUNRPNF-PMACEKPBSA-N 2 2 338.451 2.865 10 10 EFCELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001565778340 1415415555 /nfs/dbraw/zinc/41/55/55/1415415555.db2.gz SSSJEGJUTMBYSF-UHFFFAOYSA-N 2 2 349.354 2.990 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)[C@H]3C[C@@H]3C)CC2)cc1 ZINC000840710053 723900568 /nfs/dbraw/zinc/90/05/68/723900568.db2.gz HRFMIIIFNNSFHE-QKLQHJQFSA-N 2 2 331.504 2.841 10 10 EFCELP COc1cc[nH+]c(N2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)c1 ZINC000170904444 728493464 /nfs/dbraw/zinc/49/34/64/728493464.db2.gz SBLFPVPGKGDMIN-UHFFFAOYSA-N 2 2 339.439 2.607 10 10 EFCELP Cc1cc(O)c(C[NH+]2CCC([N@H+](C)CCCO)CC2)c(Cl)c1 ZINC000840915738 1102452043 /nfs/dbraw/zinc/45/20/43/1102452043.db2.gz SQDAIZHFKLPZNV-UHFFFAOYSA-N 2 2 326.868 2.633 10 10 EFCELP Cc1cc(O)c(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c(Cl)c1 ZINC000840915738 1102452046 /nfs/dbraw/zinc/45/20/46/1102452046.db2.gz SQDAIZHFKLPZNV-UHFFFAOYSA-N 2 2 326.868 2.633 10 10 EFCELP CCO[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)C[NH+](C)C ZINC000926958595 1108268239 /nfs/dbraw/zinc/26/82/39/1108268239.db2.gz GYVMDHIENLCPAQ-AAEUAGOBSA-N 2 2 345.281 2.772 10 10 EFCELP C[C@H]([NH2+]Cc1ccccn1)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000071825361 203120319 /nfs/dbraw/zinc/12/03/19/203120319.db2.gz NEINQZHQAFHFKY-HNNXBMFYSA-N 2 2 328.435 2.823 10 10 EFCELP COc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1O ZINC000530179165 317071918 /nfs/dbraw/zinc/07/19/18/317071918.db2.gz USORHNPRBHADFP-ZDUSSCGKSA-N 2 2 341.249 2.538 10 10 EFCELP CC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1O ZINC000156501972 472716356 /nfs/dbraw/zinc/71/63/56/472716356.db2.gz YISOLRWGJJBUHH-GDBMZVCRSA-N 2 2 341.459 2.934 10 10 EFCELP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH]1 ZINC000092072305 472852902 /nfs/dbraw/zinc/85/29/02/472852902.db2.gz KAHHAKDOOQMJGW-QGZVFWFLSA-N 2 2 326.444 2.626 10 10 EFCELP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH]1 ZINC000092072305 472852908 /nfs/dbraw/zinc/85/29/08/472852908.db2.gz KAHHAKDOOQMJGW-QGZVFWFLSA-N 2 2 326.444 2.626 10 10 EFCELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cc(C)ccc2O)nc[nH+]1 ZINC000185992254 473567047 /nfs/dbraw/zinc/56/70/47/473567047.db2.gz ZBWBFHOEZMRWRY-CABCVRRESA-N 2 2 341.459 2.852 10 10 EFCELP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000186193724 473612328 /nfs/dbraw/zinc/61/23/28/473612328.db2.gz MHVASJVFODTJRV-WDSOQIARSA-N 2 2 340.467 2.987 10 10 EFCELP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000186193724 473612334 /nfs/dbraw/zinc/61/23/34/473612334.db2.gz MHVASJVFODTJRV-WDSOQIARSA-N 2 2 340.467 2.987 10 10 EFCELP COc1c(O)c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000278555730 474700626 /nfs/dbraw/zinc/70/06/26/474700626.db2.gz AOHFAVDISHUWFG-IUODEOHRSA-N 2 2 346.387 2.589 10 10 EFCELP COc1c(O)c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000278555730 474700630 /nfs/dbraw/zinc/70/06/30/474700630.db2.gz AOHFAVDISHUWFG-IUODEOHRSA-N 2 2 346.387 2.589 10 10 EFCELP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3conc3C)cc2F)CC1 ZINC000293592824 475041333 /nfs/dbraw/zinc/04/13/33/475041333.db2.gz OJUZGXUSLLKVJP-UHFFFAOYSA-N 2 2 332.423 2.554 10 10 EFCELP COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000245548940 536856351 /nfs/dbraw/zinc/85/63/51/536856351.db2.gz YKMGAMGEDFMODZ-UKRRQHHQSA-N 2 2 331.416 2.689 10 10 EFCELP COc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000245548940 536856353 /nfs/dbraw/zinc/85/63/53/536856353.db2.gz YKMGAMGEDFMODZ-UKRRQHHQSA-N 2 2 331.416 2.689 10 10 EFCELP Cc1cc(Br)c(O)c(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000817865991 1276351494 /nfs/dbraw/zinc/35/14/94/1276351494.db2.gz RGWGLVJOPZCHEF-UHFFFAOYSA-N 2 2 325.250 2.791 10 10 EFCELP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(Br)c(F)cc1O ZINC000817972095 1276415604 /nfs/dbraw/zinc/41/56/04/1276415604.db2.gz SXRFMYLBGUTOHJ-RVBZMBCESA-N 2 2 331.229 2.942 10 10 EFCELP COCc1cc[nH+]c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000844709905 1279190974 /nfs/dbraw/zinc/19/09/74/1279190974.db2.gz WAABCEQEDUGISD-UHFFFAOYSA-N 2 2 326.444 2.592 10 10 EFCELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000793369198 1279583797 /nfs/dbraw/zinc/58/37/97/1279583797.db2.gz DUBNLZKRYBXSSK-UHFFFAOYSA-N 2 2 344.434 2.618 10 10 EFCELP Cc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c(Cl)c1 ZINC000903980393 1313530894 /nfs/dbraw/zinc/53/08/94/1313530894.db2.gz QGLVNFKUEWBJBF-IYBDPMFKSA-N 2 2 349.906 2.755 10 10 EFCELP Cc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c(Cl)c1 ZINC000903980393 1313530897 /nfs/dbraw/zinc/53/08/97/1313530897.db2.gz QGLVNFKUEWBJBF-IYBDPMFKSA-N 2 2 349.906 2.755 10 10 EFCELP C[NH+]1CCN(c2ccc(C[NH+]3CC(Cc4ccco4)C3)cc2F)CC1 ZINC001351626851 1333259577 /nfs/dbraw/zinc/25/95/77/1333259577.db2.gz CBAPHLSBYQJKSQ-UHFFFAOYSA-N 2 2 343.446 2.845 10 10 EFCELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(OC)c2O)cc1 ZINC000849350051 1335596468 /nfs/dbraw/zinc/59/64/68/1335596468.db2.gz OGDHYUQOYXKNOG-ROUUACIJSA-N 2 2 342.439 2.645 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)[C@H]3C[C@H]3C)CC2)cc1 ZINC000840710045 723900822 /nfs/dbraw/zinc/90/08/22/723900822.db2.gz HRFMIIIFNNSFHE-HLIPFELVSA-N 2 2 331.504 2.841 10 10 EFCELP COc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1O ZINC000190491222 473295077 /nfs/dbraw/zinc/29/50/77/473295077.db2.gz IOIUZEUEUUIENU-KRWDZBQOSA-N 2 2 341.455 2.750 10 10 EFCELP COc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1O ZINC000190491222 473295083 /nfs/dbraw/zinc/29/50/83/473295083.db2.gz IOIUZEUEUUIENU-KRWDZBQOSA-N 2 2 341.455 2.750 10 10 EFCELP COc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1O ZINC000190491222 473295087 /nfs/dbraw/zinc/29/50/87/473295087.db2.gz IOIUZEUEUUIENU-KRWDZBQOSA-N 2 2 341.455 2.750 10 10 EFCELP COc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1O ZINC000190491222 473295091 /nfs/dbraw/zinc/29/50/91/473295091.db2.gz IOIUZEUEUUIENU-KRWDZBQOSA-N 2 2 341.455 2.750 10 10 EFCELP C[C@@H]([NH2+]Cc1ccccn1)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000071825362 472574607 /nfs/dbraw/zinc/57/46/07/472574607.db2.gz NEINQZHQAFHFKY-OAHLLOKOSA-N 2 2 328.435 2.823 10 10 EFCELP c1cc(O[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc[nH+]1 ZINC000093865923 473156133 /nfs/dbraw/zinc/15/61/33/473156133.db2.gz VPEFISKLEJUSKI-HXUWFJFHSA-N 2 2 339.439 2.572 10 10 EFCELP c1cc(O[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc[nH+]1 ZINC000093865923 473156140 /nfs/dbraw/zinc/15/61/40/473156140.db2.gz VPEFISKLEJUSKI-HXUWFJFHSA-N 2 2 339.439 2.572 10 10 EFCELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180074817 473791573 /nfs/dbraw/zinc/79/15/73/473791573.db2.gz IWLCSGWJNGCIHR-MRXNPFEDSA-N 2 2 337.895 2.648 10 10 EFCELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180074817 473791580 /nfs/dbraw/zinc/79/15/80/473791580.db2.gz IWLCSGWJNGCIHR-MRXNPFEDSA-N 2 2 337.895 2.648 10 10 EFCELP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(Cl)c2O)CC1 ZINC000180094416 473796387 /nfs/dbraw/zinc/79/63/87/473796387.db2.gz QOLJFNUMYKINEX-CYBMUJFWSA-N 2 2 326.868 2.570 10 10 EFCELP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(Cl)c2O)CC1 ZINC000180094416 473796392 /nfs/dbraw/zinc/79/63/92/473796392.db2.gz QOLJFNUMYKINEX-CYBMUJFWSA-N 2 2 326.868 2.570 10 10 EFCELP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000268793601 475041654 /nfs/dbraw/zinc/04/16/54/475041654.db2.gz HBJOWBHOXNULIL-GUXCAODWSA-N 2 2 329.488 2.657 10 10 EFCELP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000268793601 475041666 /nfs/dbraw/zinc/04/16/66/475041666.db2.gz HBJOWBHOXNULIL-GUXCAODWSA-N 2 2 329.488 2.657 10 10 EFCELP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000268793599 475042603 /nfs/dbraw/zinc/04/26/03/475042603.db2.gz HBJOWBHOXNULIL-FTRWYGJKSA-N 2 2 329.488 2.657 10 10 EFCELP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000268793599 475042608 /nfs/dbraw/zinc/04/26/08/475042608.db2.gz HBJOWBHOXNULIL-FTRWYGJKSA-N 2 2 329.488 2.657 10 10 EFCELP Oc1cc(F)c(Cl)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000293612681 475042864 /nfs/dbraw/zinc/04/28/64/475042864.db2.gz LXNIIODWEFYKLU-LBPRGKRZSA-N 2 2 342.842 2.775 10 10 EFCELP Fc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1N1CCOCC1 ZINC000769187991 577342890 /nfs/dbraw/zinc/34/28/90/577342890.db2.gz DFBHIGHPXXYXKU-UHFFFAOYSA-N 2 2 344.434 2.765 10 10 EFCELP COc1ccc(N2CC[NH+](CCNc3cccc(C)[nH+]3)CC2)cc1 ZINC000771752557 581239421 /nfs/dbraw/zinc/23/94/21/581239421.db2.gz BYABEYIKSYHSBN-UHFFFAOYSA-N 2 2 326.444 2.633 10 10 EFCELP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(Br)c(F)cc1O ZINC000817954102 1276397839 /nfs/dbraw/zinc/39/78/39/1276397839.db2.gz BSRRCOPWCDOJIJ-NXEZZACHSA-N 2 2 331.229 2.944 10 10 EFCELP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(Br)cc(F)c1O ZINC000817971261 1276414707 /nfs/dbraw/zinc/41/47/07/1276414707.db2.gz LLDFHRGWQSPEKP-RVBZMBCESA-N 2 2 331.229 2.942 10 10 EFCELP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(Br)cc(F)c1O ZINC000817971263 1276414722 /nfs/dbraw/zinc/41/47/22/1276414722.db2.gz LLDFHRGWQSPEKP-ZDMBXUJBSA-N 2 2 331.229 2.942 10 10 EFCELP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000793369035 1279579782 /nfs/dbraw/zinc/57/97/82/1279579782.db2.gz BIVVDQOQHZWVLD-UHFFFAOYSA-N 2 2 333.819 2.771 10 10 EFCELP c1cc(N2CCCCC2)ccc1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974826 1313521725 /nfs/dbraw/zinc/52/17/25/1313521725.db2.gz TUPFDFSZUXUPIX-IBGZPJMESA-N 2 2 343.515 2.925 10 10 EFCELP c1cc(N2CCCCC2)ccc1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974827 1313521862 /nfs/dbraw/zinc/52/18/62/1313521862.db2.gz TUPFDFSZUXUPIX-LJQANCHMSA-N 2 2 343.515 2.925 10 10 EFCELP Cc1cc(Br)cc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1O ZINC000863649543 1302669816 /nfs/dbraw/zinc/66/98/16/1302669816.db2.gz ADFAPGIOZMBKDO-IYBDPMFKSA-N 2 2 339.277 2.895 10 10 EFCELP Cc1cc(Br)cc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1O ZINC000863649543 1302669828 /nfs/dbraw/zinc/66/98/28/1302669828.db2.gz ADFAPGIOZMBKDO-IYBDPMFKSA-N 2 2 339.277 2.895 10 10 EFCELP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccns1 ZINC001329745479 1330732989 /nfs/dbraw/zinc/73/29/89/1330732989.db2.gz LVJGSXZYFXGJNB-ZDUSSCGKSA-N 2 2 334.464 2.885 10 10 EFCELP c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001350646429 1333108037 /nfs/dbraw/zinc/10/80/37/1333108037.db2.gz IJAPOUZBCKGRCU-SFHVURJKSA-N 2 2 329.488 2.535 10 10 EFCELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000849350092 1335596644 /nfs/dbraw/zinc/59/66/44/1335596644.db2.gz PFOQEKHNOGSPGF-OALUTQOASA-N 2 2 342.439 2.645 10 10 EFCELP CCOC(=O)C[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1O ZINC001559930194 1415258742 /nfs/dbraw/zinc/25/87/42/1415258742.db2.gz IGAJYJZZNFZJAP-UHFFFAOYSA-N 2 2 345.443 2.743 10 10 EFCELP CCOC(=O)C[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1O ZINC001559930194 1415258749 /nfs/dbraw/zinc/25/87/49/1415258749.db2.gz IGAJYJZZNFZJAP-UHFFFAOYSA-N 2 2 345.443 2.743 10 10 EFCELP CC[NH+]1CCC([NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)CC1 ZINC000894150536 720942364 /nfs/dbraw/zinc/94/23/64/720942364.db2.gz MSDCGJNIQLIBDJ-UHFFFAOYSA-N 2 2 347.434 2.678 10 10 EFCELP COc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190478550 473288639 /nfs/dbraw/zinc/28/86/39/473288639.db2.gz WLSIGAXYNHRHHJ-QGZVFWFLSA-N 2 2 341.455 2.750 10 10 EFCELP COc1ccc(O)c(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190478550 473288648 /nfs/dbraw/zinc/28/86/48/473288648.db2.gz WLSIGAXYNHRHHJ-QGZVFWFLSA-N 2 2 341.455 2.750 10 10 EFCELP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(O)c1 ZINC000184992226 473294451 /nfs/dbraw/zinc/29/44/51/473294451.db2.gz QXITWZQGZHGGRY-APWZRJJASA-N 2 2 340.467 2.770 10 10 EFCELP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c(O)c1 ZINC000184992226 473294455 /nfs/dbraw/zinc/29/44/55/473294455.db2.gz QXITWZQGZHGGRY-APWZRJJASA-N 2 2 340.467 2.770 10 10 EFCELP Fc1cc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)ccc1N1CCOCC1 ZINC000089768334 472503312 /nfs/dbraw/zinc/50/33/12/472503312.db2.gz UAGNGOJOGCNOGG-MRXNPFEDSA-N 2 2 344.434 2.526 10 10 EFCELP CN(C)c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000121188484 472812799 /nfs/dbraw/zinc/81/27/99/472812799.db2.gz IVOODOHHXANYJU-UHFFFAOYSA-N 2 2 341.503 2.546 10 10 EFCELP CN(C)c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000121188484 472812806 /nfs/dbraw/zinc/81/28/06/472812806.db2.gz IVOODOHHXANYJU-UHFFFAOYSA-N 2 2 341.503 2.546 10 10 EFCELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(C)cc2O)nc[nH+]1 ZINC000185992690 473566654 /nfs/dbraw/zinc/56/66/54/473566654.db2.gz NRVDRJVGNNBAOU-CABCVRRESA-N 2 2 341.459 2.852 10 10 EFCELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(C)cc2O)nc[nH+]1 ZINC000185992754 473566845 /nfs/dbraw/zinc/56/68/45/473566845.db2.gz NRVDRJVGNNBAOU-LSDHHAIUSA-N 2 2 341.459 2.852 10 10 EFCELP c1cc(N2CCOCC2)ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127725462 473644469 /nfs/dbraw/zinc/64/44/69/473644469.db2.gz ZZTGWPQDLLVUOA-UHFFFAOYSA-N 2 2 329.488 2.583 10 10 EFCELP COc1cc(O)c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000179986884 473771287 /nfs/dbraw/zinc/77/12/87/473771287.db2.gz GHMQVRXJJDMVLO-CQSZACIVSA-N 2 2 343.427 2.738 10 10 EFCELP COc1cc(O)c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000179986884 473771295 /nfs/dbraw/zinc/77/12/95/473771295.db2.gz GHMQVRXJJDMVLO-CQSZACIVSA-N 2 2 343.427 2.738 10 10 EFCELP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(Cl)c2O)CC1 ZINC000180094397 473796608 /nfs/dbraw/zinc/79/66/08/473796608.db2.gz QOLJFNUMYKINEX-ZDUSSCGKSA-N 2 2 326.868 2.570 10 10 EFCELP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(Cl)c2O)CC1 ZINC000180094397 473796612 /nfs/dbraw/zinc/79/66/12/473796612.db2.gz QOLJFNUMYKINEX-ZDUSSCGKSA-N 2 2 326.868 2.570 10 10 EFCELP Cc1cc(Cl)cc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1O ZINC000184764052 474603001 /nfs/dbraw/zinc/60/30/01/474603001.db2.gz BSWXTFARTKXPHZ-UHFFFAOYSA-N 2 2 332.835 2.775 10 10 EFCELP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000268793602 475041336 /nfs/dbraw/zinc/04/13/36/475041336.db2.gz HBJOWBHOXNULIL-TWOQFEAHSA-N 2 2 329.488 2.657 10 10 EFCELP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000268793602 475041345 /nfs/dbraw/zinc/04/13/45/475041345.db2.gz HBJOWBHOXNULIL-TWOQFEAHSA-N 2 2 329.488 2.657 10 10 EFCELP Oc1cc(F)c(Cl)cc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000293612673 475042822 /nfs/dbraw/zinc/04/28/22/475042822.db2.gz LXNIIODWEFYKLU-GFCCVEGCSA-N 2 2 342.842 2.775 10 10 EFCELP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293640261 475045294 /nfs/dbraw/zinc/04/52/94/475045294.db2.gz NVVULNIFBTVQPS-UHFFFAOYSA-N 2 2 343.874 2.548 10 10 EFCELP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293640261 475045300 /nfs/dbraw/zinc/04/53/00/475045300.db2.gz NVVULNIFBTVQPS-UHFFFAOYSA-N 2 2 343.874 2.548 10 10 EFCELP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530179731 477878160 /nfs/dbraw/zinc/87/81/60/477878160.db2.gz WBBKDWMNXUYQPI-CYBMUJFWSA-N 2 2 325.250 2.837 10 10 EFCELP Cc1cc(Br)c(O)c(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530179424 477878116 /nfs/dbraw/zinc/87/81/16/477878116.db2.gz UWOQAOIVTZUAIY-ZDUSSCGKSA-N 2 2 325.250 2.837 10 10 EFCELP Cn1cncc1[C@H]1[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CCC[N@@H+]1C ZINC000583616622 478893635 /nfs/dbraw/zinc/89/36/35/478893635.db2.gz RRBJFBFOVCWYOX-FXAWDEMLSA-N 2 2 340.471 2.528 10 10 EFCELP Cn1cncc1[C@H]1[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CCC[N@H+]1C ZINC000583616622 478893641 /nfs/dbraw/zinc/89/36/41/478893641.db2.gz RRBJFBFOVCWYOX-FXAWDEMLSA-N 2 2 340.471 2.528 10 10 EFCELP Cn1c[nH+]cc1[C@H]1[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CCCN1C ZINC000583616622 478893646 /nfs/dbraw/zinc/89/36/46/478893646.db2.gz RRBJFBFOVCWYOX-FXAWDEMLSA-N 2 2 340.471 2.528 10 10 EFCELP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000850502023 1250514013 /nfs/dbraw/zinc/51/40/13/1250514013.db2.gz RJORWPGAPMRNFF-STQMWFEESA-N 2 2 329.435 2.593 10 10 EFCELP Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000843128407 1261188226 /nfs/dbraw/zinc/18/82/26/1261188226.db2.gz LCNFMRYOIGXFAH-CQSZACIVSA-N 2 2 325.250 2.919 10 10 EFCELP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Br)c(F)cc1O ZINC000817954103 1276397097 /nfs/dbraw/zinc/39/70/97/1276397097.db2.gz BSRRCOPWCDOJIJ-UWVGGRQHSA-N 2 2 331.229 2.944 10 10 EFCELP C[NH+]1CCN(c2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc2)CC1 ZINC000793335612 1279557431 /nfs/dbraw/zinc/55/74/31/1279557431.db2.gz HASKVJQEHYUKGD-UHFFFAOYSA-N 3 2 342.531 2.545 10 10 EFCELP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]([NH3+])CC(F)F ZINC000903897296 1313372976 /nfs/dbraw/zinc/37/29/76/1313372976.db2.gz GUMBDOPAHXYRLM-NSHDSACASA-N 2 2 337.208 2.959 10 10 EFCELP CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]([NH3+])CC(F)F ZINC000903897296 1313372980 /nfs/dbraw/zinc/37/29/80/1313372980.db2.gz GUMBDOPAHXYRLM-NSHDSACASA-N 2 2 337.208 2.959 10 10 EFCELP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000863540498 1302642826 /nfs/dbraw/zinc/64/28/26/1302642826.db2.gz FBVFLRYUQUMHNC-KDOFPFPSSA-N 2 2 333.451 2.598 10 10 EFCELP COc1cc(Br)cc([C@@H](C)[NH2+]CCn2cc[nH+]c2)c1O ZINC000848514227 1334768477 /nfs/dbraw/zinc/76/84/77/1334768477.db2.gz LKQNXEWCKWWYAI-SNVBAGLBSA-N 2 2 340.221 2.711 10 10 EFCELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000849350212 1335596551 /nfs/dbraw/zinc/59/65/51/1335596551.db2.gz UXDJARKBGXVZKC-SFTDATJTSA-N 2 2 339.483 2.997 10 10 EFCELP COC(=O)c1c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894312968 722067436 /nfs/dbraw/zinc/06/74/36/722067436.db2.gz OXQWRZBONULVNR-GXTWGEPZSA-N 2 2 347.434 2.676 10 10 EFCELP COC(=O)c1c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894312968 722067438 /nfs/dbraw/zinc/06/74/38/722067438.db2.gz OXQWRZBONULVNR-GXTWGEPZSA-N 2 2 347.434 2.676 10 10 EFCELP COC(=O)c1c(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894312969 722067540 /nfs/dbraw/zinc/06/75/40/722067540.db2.gz OXQWRZBONULVNR-JSGCOSHPSA-N 2 2 347.434 2.676 10 10 EFCELP COC(=O)c1c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894312969 722067542 /nfs/dbraw/zinc/06/75/42/722067542.db2.gz OXQWRZBONULVNR-JSGCOSHPSA-N 2 2 347.434 2.676 10 10 EFCELP CC(=O)c1cc(F)cc(C[NH+]2CCC(c3c[nH+]cn3C)CC2)c1O ZINC001648644266 1092243712 /nfs/dbraw/zinc/24/37/12/1092243712.db2.gz FPAIFDGSIWQIBI-UHFFFAOYSA-N 2 2 331.391 2.847 10 10 EFCELP c1cn(-c2ccccc2C[NH2+]Cc2ccc(N3CCOCC3)cc2)c[nH+]1 ZINC000067250323 1101508039 /nfs/dbraw/zinc/50/80/39/1101508039.db2.gz KFOAHMZFLSTELE-UHFFFAOYSA-N 2 2 348.450 2.999 10 10 EFCELP C[C@H]([NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1O ZINC000248383682 240288856 /nfs/dbraw/zinc/28/88/56/240288856.db2.gz AXSHFHJWRGMSMM-RYQLBKOJSA-N 2 2 326.440 2.678 10 10 EFCELP C[C@H]([NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1O ZINC000248383682 240288862 /nfs/dbraw/zinc/28/88/62/240288862.db2.gz AXSHFHJWRGMSMM-RYQLBKOJSA-N 2 2 326.440 2.678 10 10 EFCELP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH]1 ZINC000092072304 472852718 /nfs/dbraw/zinc/85/27/18/472852718.db2.gz KAHHAKDOOQMJGW-KRWDZBQOSA-N 2 2 326.444 2.626 10 10 EFCELP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)[nH]1 ZINC000092072304 472852724 /nfs/dbraw/zinc/85/27/24/472852724.db2.gz KAHHAKDOOQMJGW-KRWDZBQOSA-N 2 2 326.444 2.626 10 10 EFCELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccccc2O)nc[nH+]1 ZINC000183596707 474396202 /nfs/dbraw/zinc/39/62/02/474396202.db2.gz SCLGBUYYILVNND-KBPBESRZSA-N 2 2 327.432 2.544 10 10 EFCELP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293640263 475044795 /nfs/dbraw/zinc/04/47/95/475044795.db2.gz NVZDUGNBOSPZPN-ZDUSSCGKSA-N 2 2 330.831 2.511 10 10 EFCELP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293640263 475044804 /nfs/dbraw/zinc/04/48/04/475044804.db2.gz NVZDUGNBOSPZPN-ZDUSSCGKSA-N 2 2 330.831 2.511 10 10 EFCELP Oc1cc(F)c(Cl)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000295278874 475117905 /nfs/dbraw/zinc/11/79/05/475117905.db2.gz IHKVNKIOMNZGIB-UHFFFAOYSA-N 2 2 342.842 2.729 10 10 EFCELP Oc1c(F)cccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000375414017 476825582 /nfs/dbraw/zinc/82/55/82/476825582.db2.gz HWIHUOFMDTXWQH-GOSISDBHSA-N 2 2 344.430 2.912 10 10 EFCELP Oc1c(F)cccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000375414017 476825587 /nfs/dbraw/zinc/82/55/87/476825587.db2.gz HWIHUOFMDTXWQH-GOSISDBHSA-N 2 2 344.430 2.912 10 10 EFCELP Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530179421 477878039 /nfs/dbraw/zinc/87/80/39/477878039.db2.gz UWOQAOIVTZUAIY-CYBMUJFWSA-N 2 2 325.250 2.837 10 10 EFCELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000756113525 575686254 /nfs/dbraw/zinc/68/62/54/575686254.db2.gz JUTXAMBIQBBXPB-GUYCJALGSA-N 2 2 339.430 2.797 10 10 EFCELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000756113525 575686256 /nfs/dbraw/zinc/68/62/56/575686256.db2.gz JUTXAMBIQBBXPB-GUYCJALGSA-N 2 2 339.430 2.797 10 10 EFCELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000756121955 575688539 /nfs/dbraw/zinc/68/85/39/575688539.db2.gz SCMDUUFSBUTNHG-CPUCHLNUSA-N 2 2 339.430 2.797 10 10 EFCELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000756121955 575688541 /nfs/dbraw/zinc/68/85/41/575688541.db2.gz SCMDUUFSBUTNHG-CPUCHLNUSA-N 2 2 339.430 2.797 10 10 EFCELP c1c[nH+]c(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)[nH]1 ZINC000769187873 577342929 /nfs/dbraw/zinc/34/29/29/577342929.db2.gz BLIVWCCWFZDJEX-UHFFFAOYSA-N 2 2 326.444 2.626 10 10 EFCELP CCC1([NH3+])CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000903947450 1313470303 /nfs/dbraw/zinc/47/03/03/1313470303.db2.gz UZZDWUOCROQRPG-UHFFFAOYSA-N 2 2 343.265 2.867 10 10 EFCELP CN(C)c1ccc(/C=C/C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903970524 1313515748 /nfs/dbraw/zinc/51/57/48/1313515748.db2.gz YMJQCEZVBVZYLQ-WHLIDYPQSA-N 2 2 329.488 2.514 10 10 EFCELP CN(C)c1ccc(/C=C\C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903970522 1313516008 /nfs/dbraw/zinc/51/60/08/1313516008.db2.gz YMJQCEZVBVZYLQ-JXCVUKRWSA-N 2 2 329.488 2.514 10 10 EFCELP c1cc(N2CCCC2)ccc1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001350646428 1333107987 /nfs/dbraw/zinc/10/79/87/1333107987.db2.gz IJAPOUZBCKGRCU-GOSISDBHSA-N 2 2 329.488 2.535 10 10 EFCELP Cc1cc(O)c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(Cl)c1 ZINC000840917575 720964428 /nfs/dbraw/zinc/96/44/28/720964428.db2.gz KSJAPUUBYFNUFI-HNNXBMFYSA-N 2 2 337.895 2.566 10 10 EFCELP Cc1cc(O)c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(Cl)c1 ZINC000840917575 720964431 /nfs/dbraw/zinc/96/44/31/720964431.db2.gz KSJAPUUBYFNUFI-HNNXBMFYSA-N 2 2 337.895 2.566 10 10 EFCELP COC(=O)c1c(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894312970 722067627 /nfs/dbraw/zinc/06/76/27/722067627.db2.gz OXQWRZBONULVNR-OCCSQVGLSA-N 2 2 347.434 2.676 10 10 EFCELP COC(=O)c1c(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894312970 722067628 /nfs/dbraw/zinc/06/76/28/722067628.db2.gz OXQWRZBONULVNR-OCCSQVGLSA-N 2 2 347.434 2.676 10 10 EFCELP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000248498588 240291713 /nfs/dbraw/zinc/29/17/13/240291713.db2.gz MHVASJVFODTJRV-QXAKKESOSA-N 2 2 340.467 2.987 10 10 EFCELP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000248498588 240291720 /nfs/dbraw/zinc/29/17/20/240291720.db2.gz MHVASJVFODTJRV-QXAKKESOSA-N 2 2 340.467 2.987 10 10 EFCELP CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1O ZINC000156501861 472715349 /nfs/dbraw/zinc/71/53/49/472715349.db2.gz YISOLRWGJJBUHH-ZBFHGGJFSA-N 2 2 341.459 2.934 10 10 EFCELP C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000091960310 472833679 /nfs/dbraw/zinc/83/36/79/472833679.db2.gz NSCIIRCTHBIUFG-PXNSSMCTSA-N 2 2 340.471 2.803 10 10 EFCELP C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000091960310 472833686 /nfs/dbraw/zinc/83/36/86/472833686.db2.gz NSCIIRCTHBIUFG-PXNSSMCTSA-N 2 2 340.471 2.803 10 10 EFCELP CCCOc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c(O)c1 ZINC000092079642 472856944 /nfs/dbraw/zinc/85/69/44/472856944.db2.gz VBEVJIQZFHHOLJ-MRXNPFEDSA-N 2 2 348.487 2.866 10 10 EFCELP CCCOc1ccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c(O)c1 ZINC000092079642 472856950 /nfs/dbraw/zinc/85/69/50/472856950.db2.gz VBEVJIQZFHHOLJ-MRXNPFEDSA-N 2 2 348.487 2.866 10 10 EFCELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093147347 473053607 /nfs/dbraw/zinc/05/36/07/473053607.db2.gz FXVIQQXWTYUURY-QGZVFWFLSA-N 2 2 337.895 2.648 10 10 EFCELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093147347 473053615 /nfs/dbraw/zinc/05/36/15/473053615.db2.gz FXVIQQXWTYUURY-QGZVFWFLSA-N 2 2 337.895 2.648 10 10 EFCELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(C)ccc2O)nc[nH+]1 ZINC000185992314 473566572 /nfs/dbraw/zinc/56/65/72/473566572.db2.gz ZBWBFHOEZMRWRY-LSDHHAIUSA-N 2 2 341.459 2.852 10 10 EFCELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(F)ccc2O)nc[nH+]1 ZINC000185992828 473566589 /nfs/dbraw/zinc/56/65/89/473566589.db2.gz CHAABBZZFHZYMI-GXTWGEPZSA-N 2 2 345.422 2.683 10 10 EFCELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000180125809 473805465 /nfs/dbraw/zinc/80/54/65/473805465.db2.gz ZGMAVEUQMZNDHL-FQEVSTJZSA-N 2 2 340.471 2.693 10 10 EFCELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000180125809 473805471 /nfs/dbraw/zinc/80/54/71/473805471.db2.gz ZGMAVEUQMZNDHL-FQEVSTJZSA-N 2 2 340.471 2.693 10 10 EFCELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccccc2O)nc[nH+]1 ZINC000183596742 474396274 /nfs/dbraw/zinc/39/62/74/474396274.db2.gz SCLGBUYYILVNND-UONOGXRCSA-N 2 2 327.432 2.544 10 10 EFCELP C[C@H]([NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1O ZINC000183631963 474403027 /nfs/dbraw/zinc/40/30/27/474403027.db2.gz AXSHFHJWRGMSMM-JQHSSLGASA-N 2 2 326.440 2.678 10 10 EFCELP C[C@H]([NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1O ZINC000183631963 474403035 /nfs/dbraw/zinc/40/30/35/474403035.db2.gz AXSHFHJWRGMSMM-JQHSSLGASA-N 2 2 326.440 2.678 10 10 EFCELP Oc1c(F)cc(Cl)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248538 477879614 /nfs/dbraw/zinc/87/96/14/477879614.db2.gz LVZSJBDTRVUQJN-OAHLLOKOSA-N 2 2 342.842 2.775 10 10 EFCELP CC(C)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CC[NH+](C)CC1 ZINC000294159022 535192922 /nfs/dbraw/zinc/19/29/22/535192922.db2.gz ILHOQUCQGODMPE-MRXNPFEDSA-N 2 2 343.874 2.546 10 10 EFCELP CCN(C)c1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000773843412 581469100 /nfs/dbraw/zinc/46/91/00/581469100.db2.gz BFGSEBOARGNNLV-UHFFFAOYSA-N 2 2 325.460 2.563 10 10 EFCELP CCO[C@H](C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C[NH+](C)C ZINC000922756650 1266742565 /nfs/dbraw/zinc/74/25/65/1266742565.db2.gz RJRXSOKAQNBTFU-MRXNPFEDSA-N 2 2 338.492 2.755 10 10 EFCELP Cc1cc(Br)cc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1O ZINC000817865546 1276351884 /nfs/dbraw/zinc/35/18/84/1276351884.db2.gz KVDVHCSREDVBNW-UHFFFAOYSA-N 2 2 325.250 2.791 10 10 EFCELP CN(C)c1ccc(/C=C/C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903970523 1313515848 /nfs/dbraw/zinc/51/58/48/1313515848.db2.gz YMJQCEZVBVZYLQ-OAJJDEHYSA-N 2 2 329.488 2.514 10 10 EFCELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(C)c2O)cc1 ZINC000849349860 1335596624 /nfs/dbraw/zinc/59/66/24/1335596624.db2.gz LVVOAVLYRHEYIV-OALUTQOASA-N 2 2 326.440 2.945 10 10 EFCELP Cc1cc(Br)cc(C[N@@H+](C)C2CC[NH+](C)CC2)c1O ZINC000160954269 1418547909 /nfs/dbraw/zinc/54/79/09/1418547909.db2.gz BAKXDYCYQXYLNQ-UHFFFAOYSA-N 2 2 327.266 2.989 10 10 EFCELP Cc1cc(Br)cc(C[N@H+](C)C2CC[NH+](C)CC2)c1O ZINC000160954269 1418547914 /nfs/dbraw/zinc/54/79/14/1418547914.db2.gz BAKXDYCYQXYLNQ-UHFFFAOYSA-N 2 2 327.266 2.989 10 10 EFCELP CCO[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)C[NH+](C)C ZINC000926958597 1108268671 /nfs/dbraw/zinc/26/86/71/1108268671.db2.gz GYVMDHIENLCPAQ-WCQYABFASA-N 2 2 345.281 2.772 10 10 EFCELP CCO[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)C[NH+](C)C ZINC000926958596 1108268703 /nfs/dbraw/zinc/26/87/03/1108268703.db2.gz GYVMDHIENLCPAQ-DGCLKSJQSA-N 2 2 345.281 2.772 10 10 EFCELP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000248498590 240291080 /nfs/dbraw/zinc/29/10/80/240291080.db2.gz MHVASJVFODTJRV-YTQUADARSA-N 2 2 340.467 2.987 10 10 EFCELP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000248498590 240291086 /nfs/dbraw/zinc/29/10/86/240291086.db2.gz MHVASJVFODTJRV-YTQUADARSA-N 2 2 340.467 2.987 10 10 EFCELP COc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1O ZINC000190491242 473293991 /nfs/dbraw/zinc/29/39/91/473293991.db2.gz IOIUZEUEUUIENU-QGZVFWFLSA-N 2 2 341.455 2.750 10 10 EFCELP COc1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1O ZINC000190491242 473293996 /nfs/dbraw/zinc/29/39/96/473293996.db2.gz IOIUZEUEUUIENU-QGZVFWFLSA-N 2 2 341.455 2.750 10 10 EFCELP COc1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1O ZINC000190491242 473294006 /nfs/dbraw/zinc/29/40/06/473294006.db2.gz IOIUZEUEUUIENU-QGZVFWFLSA-N 2 2 341.455 2.750 10 10 EFCELP COc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1O ZINC000190491242 473294010 /nfs/dbraw/zinc/29/40/10/473294010.db2.gz IOIUZEUEUUIENU-QGZVFWFLSA-N 2 2 341.455 2.750 10 10 EFCELP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000184991915 473294856 /nfs/dbraw/zinc/29/48/56/473294856.db2.gz SWIBOQUYTRMZNW-LPHOPBHVSA-N 2 2 340.467 2.770 10 10 EFCELP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000184991915 473294864 /nfs/dbraw/zinc/29/48/64/473294864.db2.gz SWIBOQUYTRMZNW-LPHOPBHVSA-N 2 2 340.467 2.770 10 10 EFCELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cc(F)ccc2O)nc[nH+]1 ZINC000185992844 473566826 /nfs/dbraw/zinc/56/68/26/473566826.db2.gz CHAABBZZFHZYMI-TZMCWYRMSA-N 2 2 345.422 2.683 10 10 EFCELP Cc1cc(Cl)cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1O ZINC000271744261 474589022 /nfs/dbraw/zinc/58/90/22/474589022.db2.gz APFMUUKZVTVXFX-UHFFFAOYSA-N 2 2 326.868 2.633 10 10 EFCELP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc(F)cc(F)c1O ZINC000850502022 1250513794 /nfs/dbraw/zinc/51/37/94/1250513794.db2.gz RJORWPGAPMRNFF-QWHCGFSZSA-N 2 2 329.435 2.593 10 10 EFCELP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(Br)cc(F)c1O ZINC000817971262 1276414757 /nfs/dbraw/zinc/41/47/57/1276414757.db2.gz LLDFHRGWQSPEKP-VYUIOLGVSA-N 2 2 331.229 2.942 10 10 EFCELP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)ccc1O ZINC000817984491 1276423632 /nfs/dbraw/zinc/42/36/32/1276423632.db2.gz YVXYAQPPAJKYLF-JEYLPNPQSA-N 2 2 337.895 2.913 10 10 EFCELP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)ccc1O ZINC000817984491 1276423644 /nfs/dbraw/zinc/42/36/44/1276423644.db2.gz YVXYAQPPAJKYLF-JEYLPNPQSA-N 2 2 337.895 2.913 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@H]3SC)CC2)cc1 ZINC000822451548 1288993879 /nfs/dbraw/zinc/99/38/79/1288993879.db2.gz LPWZEYPZDYCLBD-RTBURBONSA-N 2 2 349.544 2.691 10 10 EFCELP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@](C)(C4CC4)C3)cc2F)CC1 ZINC001327924936 1330530348 /nfs/dbraw/zinc/53/03/48/1330530348.db2.gz YGOWJRCJTYXEDW-FQEVSTJZSA-N 2 2 347.478 2.578 10 10 EFCELP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@](C)(C4CC4)C3)cc2F)CC1 ZINC001327924936 1330530353 /nfs/dbraw/zinc/53/03/53/1330530353.db2.gz YGOWJRCJTYXEDW-FQEVSTJZSA-N 2 2 347.478 2.578 10 10 EFCELP c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001350903357 1333149641 /nfs/dbraw/zinc/14/96/41/1333149641.db2.gz NRZHSWCZDLBVJB-HXUWFJFHSA-N 2 2 329.488 2.630 10 10 EFCELP c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC001350903357 1333149647 /nfs/dbraw/zinc/14/96/47/1333149647.db2.gz NRZHSWCZDLBVJB-HXUWFJFHSA-N 2 2 329.488 2.630 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccoc3)CC2)cc1 ZINC000727464030 724055585 /nfs/dbraw/zinc/05/55/85/724055585.db2.gz LOOQOASSJFRHSL-UHFFFAOYSA-N 2 2 329.444 2.590 10 10 EFCELP CCO[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)C[NH+](C)C ZINC000926957414 1108266232 /nfs/dbraw/zinc/26/62/32/1108266232.db2.gz BHSAHTGCRIDXNY-DGCLKSJQSA-N 2 2 345.281 2.772 10 10 EFCELP Cc1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc[nH+]1 ZINC000091676389 472791492 /nfs/dbraw/zinc/79/14/92/472791492.db2.gz ASAHTNHGTQJNOU-UHFFFAOYSA-N 2 2 337.471 2.929 10 10 EFCELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000122939773 473076553 /nfs/dbraw/zinc/07/65/53/473076553.db2.gz ITWRZAXDIHJMTA-CQSZACIVSA-N 2 2 329.400 2.717 10 10 EFCELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000122939773 473076556 /nfs/dbraw/zinc/07/65/56/473076556.db2.gz ITWRZAXDIHJMTA-CQSZACIVSA-N 2 2 329.400 2.717 10 10 EFCELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(F)cc2O)nc[nH+]1 ZINC000185992358 473567263 /nfs/dbraw/zinc/56/72/63/473567263.db2.gz VDASFGCHVKLJRM-OCCSQVGLSA-N 2 2 345.422 2.683 10 10 EFCELP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(O)c1 ZINC000186194078 473613084 /nfs/dbraw/zinc/61/30/84/473613084.db2.gz NYJBKVOHPLOXTO-UHOSZYNNSA-N 2 2 340.467 2.987 10 10 EFCELP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(O)c1 ZINC000186194078 473613088 /nfs/dbraw/zinc/61/30/88/473613088.db2.gz NYJBKVOHPLOXTO-UHOSZYNNSA-N 2 2 340.467 2.987 10 10 EFCELP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000268793600 475040923 /nfs/dbraw/zinc/04/09/23/475040923.db2.gz HBJOWBHOXNULIL-GQIGUUNPSA-N 2 2 329.488 2.657 10 10 EFCELP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000268793600 475040933 /nfs/dbraw/zinc/04/09/33/475040933.db2.gz HBJOWBHOXNULIL-GQIGUUNPSA-N 2 2 329.488 2.657 10 10 EFCELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000756121958 575688464 /nfs/dbraw/zinc/68/84/64/575688464.db2.gz SCMDUUFSBUTNHG-JKIFEVAISA-N 2 2 339.430 2.797 10 10 EFCELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000756121958 575688467 /nfs/dbraw/zinc/68/84/67/575688467.db2.gz SCMDUUFSBUTNHG-JKIFEVAISA-N 2 2 339.430 2.797 10 10 EFCELP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1O ZINC000817984495 1276424845 /nfs/dbraw/zinc/42/48/45/1276424845.db2.gz YWUNTSLVBDJJPR-LEOMRAHMSA-N 2 2 335.467 2.788 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3C[C@H](C)[C@H]3C)CC2)cc1 ZINC000813854525 1286144063 /nfs/dbraw/zinc/14/40/63/1286144063.db2.gz FDLFJBSOAOOLRB-SQGPQFPESA-N 2 2 331.504 2.841 10 10 EFCELP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000863540501 1302642433 /nfs/dbraw/zinc/64/24/33/1302642433.db2.gz FBVFLRYUQUMHNC-KSSFIOAISA-N 2 2 333.451 2.598 10 10 EFCELP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000863540489 1302643284 /nfs/dbraw/zinc/64/32/84/1302643284.db2.gz FBVFLRYUQUMHNC-KBXCAEBGSA-N 2 2 333.451 2.598 10 10 EFCELP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000794835120 1303219828 /nfs/dbraw/zinc/21/98/28/1303219828.db2.gz IIGSCPDQIXZDOK-IUDNXUCKSA-N 2 2 332.444 2.846 10 10 EFCELP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccns1 ZINC001329745478 1330732878 /nfs/dbraw/zinc/73/28/78/1330732878.db2.gz LVJGSXZYFXGJNB-CYBMUJFWSA-N 2 2 334.464 2.885 10 10 EFCELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000849350107 1335596615 /nfs/dbraw/zinc/59/66/15/1335596615.db2.gz QCDAZBJWYSTRPP-ROUUACIJSA-N 2 2 330.403 2.775 10 10 EFCELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(F)ccc2O)cc1F ZINC000849352282 1335596995 /nfs/dbraw/zinc/59/69/95/1335596995.db2.gz KCPNLTBIPHZPCS-RDJZCZTQSA-N 2 2 348.393 2.914 10 10 EFCELP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001473895099 1397346861 /nfs/dbraw/zinc/34/68/61/1397346861.db2.gz ZXHHGXUPLCCQMF-UHFFFAOYSA-N 2 2 340.471 2.636 10 10 EFCELP COC1CCN(c2ccc(C[N@H+]3[C@@H]4CC[C@H]3CC[NH+](C)C4)cc2)CC1 ZINC001648292661 1089972517 /nfs/dbraw/zinc/97/25/17/1089972517.db2.gz CTLCRTVDSSCBHQ-VQTJNVASSA-N 2 2 343.515 2.970 10 10 EFCELP COC1CCN(c2ccc(C[N@@H+]3[C@@H]4CC[C@H]3CC[NH+](C)C4)cc2)CC1 ZINC001648292661 1089972525 /nfs/dbraw/zinc/97/25/25/1089972525.db2.gz CTLCRTVDSSCBHQ-VQTJNVASSA-N 2 2 343.515 2.970 10 10 EFCELP COC1CCN(c2ccc(C[NH+]3[C@@H]4CC[C@H]3CC[N@@H+](C)C4)cc2)CC1 ZINC001648292661 1089972539 /nfs/dbraw/zinc/97/25/39/1089972539.db2.gz CTLCRTVDSSCBHQ-VQTJNVASSA-N 2 2 343.515 2.970 10 10 EFCELP COC1CCN(c2ccc(C[NH+]3[C@@H]4CC[C@H]3CC[N@H+](C)C4)cc2)CC1 ZINC001648292661 1089972558 /nfs/dbraw/zinc/97/25/58/1089972558.db2.gz CTLCRTVDSSCBHQ-VQTJNVASSA-N 2 2 343.515 2.970 10 10 EFCELP c1ccc(NCCCC[NH2+]Cc2ccc(N3CCOCC3)cc2)[nH+]c1 ZINC000078847517 1104012886 /nfs/dbraw/zinc/01/28/86/1104012886.db2.gz SOPDKOKKSDDHDW-UHFFFAOYSA-N 2 2 340.471 2.900 10 10 EFCELP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)C[NH+](C)C ZINC000926957413 1108266468 /nfs/dbraw/zinc/26/64/68/1108266468.db2.gz BHSAHTGCRIDXNY-AAEUAGOBSA-N 2 2 345.281 2.772 10 10 EFCELP CCO[C@@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)C[NH+](C)C ZINC000926958598 1108269188 /nfs/dbraw/zinc/26/91/88/1108269188.db2.gz GYVMDHIENLCPAQ-YPMHNXCESA-N 2 2 345.281 2.772 10 10 EFCELP COCCC[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294377569 241043885 /nfs/dbraw/zinc/04/38/85/241043885.db2.gz UQQGINHZYXELDP-UHFFFAOYSA-N 2 2 330.831 2.775 10 10 EFCELP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000367998577 242397989 /nfs/dbraw/zinc/39/79/89/242397989.db2.gz UJUJOWKPJZPTBA-HIFRSBDPSA-N 2 2 344.434 2.594 10 10 EFCELP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000367998577 242397996 /nfs/dbraw/zinc/39/79/96/242397996.db2.gz UJUJOWKPJZPTBA-HIFRSBDPSA-N 2 2 344.434 2.594 10 10 EFCELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000367998580 242399068 /nfs/dbraw/zinc/39/90/68/242399068.db2.gz UJUJOWKPJZPTBA-ZFWWWQNUSA-N 2 2 344.434 2.594 10 10 EFCELP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000367998580 242399073 /nfs/dbraw/zinc/39/90/73/242399073.db2.gz UJUJOWKPJZPTBA-ZFWWWQNUSA-N 2 2 344.434 2.594 10 10 EFCELP Fc1cc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)ccc1N1CCOCC1 ZINC000089768333 472503250 /nfs/dbraw/zinc/50/32/50/472503250.db2.gz UAGNGOJOGCNOGG-INIZCTEOSA-N 2 2 344.434 2.526 10 10 EFCELP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000186193763 473612964 /nfs/dbraw/zinc/61/29/64/473612964.db2.gz MHVASJVFODTJRV-UHOSZYNNSA-N 2 2 340.467 2.987 10 10 EFCELP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000186193763 473612969 /nfs/dbraw/zinc/61/29/69/473612969.db2.gz MHVASJVFODTJRV-UHOSZYNNSA-N 2 2 340.467 2.987 10 10 EFCELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180074837 473792849 /nfs/dbraw/zinc/79/28/49/473792849.db2.gz IWLCSGWJNGCIHR-INIZCTEOSA-N 2 2 337.895 2.648 10 10 EFCELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180074837 473792857 /nfs/dbraw/zinc/79/28/57/473792857.db2.gz IWLCSGWJNGCIHR-INIZCTEOSA-N 2 2 337.895 2.648 10 10 EFCELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccccc2O)nc[nH+]1 ZINC000183596765 474396377 /nfs/dbraw/zinc/39/63/77/474396377.db2.gz SCLGBUYYILVNND-ZIAGYGMSSA-N 2 2 327.432 2.544 10 10 EFCELP C[C@H]([NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1O ZINC000183631921 474402364 /nfs/dbraw/zinc/40/23/64/474402364.db2.gz AXSHFHJWRGMSMM-SZMVWBNQSA-N 2 2 326.440 2.678 10 10 EFCELP C[C@H]([NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1O ZINC000183631921 474402371 /nfs/dbraw/zinc/40/23/71/474402371.db2.gz AXSHFHJWRGMSMM-SZMVWBNQSA-N 2 2 326.440 2.678 10 10 EFCELP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1O ZINC000175812140 527210487 /nfs/dbraw/zinc/21/04/87/527210487.db2.gz VOZPMBUXTXDMIQ-INIZCTEOSA-N 2 2 331.391 2.903 10 10 EFCELP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1O ZINC000175812140 527210492 /nfs/dbraw/zinc/21/04/92/527210492.db2.gz VOZPMBUXTXDMIQ-INIZCTEOSA-N 2 2 331.391 2.903 10 10 EFCELP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000817941895 1276386942 /nfs/dbraw/zinc/38/69/42/1276386942.db2.gz LPGIXJZDFHHPBY-SOAMZJECSA-N 2 2 331.504 2.937 10 10 EFCELP C[NH+]1CCN(c2ccc(C[NH+]3CC(CC(F)(F)F)C3)cc2F)CC1 ZINC001326788156 1330364715 /nfs/dbraw/zinc/36/47/15/1330364715.db2.gz YTLWUQJXFQCROW-UHFFFAOYSA-N 2 2 345.384 2.962 10 10 EFCELP c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001350903356 1333149600 /nfs/dbraw/zinc/14/96/00/1333149600.db2.gz NRZHSWCZDLBVJB-FQEVSTJZSA-N 2 2 329.488 2.630 10 10 EFCELP c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001350903356 1333149604 /nfs/dbraw/zinc/14/96/04/1333149604.db2.gz NRZHSWCZDLBVJB-FQEVSTJZSA-N 2 2 329.488 2.630 10 10 EFCELP [NH3+][C@H]1CC[C@H](N(Cc2cc3c(cc2O)OCO3)c2cccc[nH+]2)CC1 ZINC000895112849 723325791 /nfs/dbraw/zinc/32/57/91/723325791.db2.gz YLQITLJRCXIKQL-SHTZXODSSA-N 2 2 341.411 2.792 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccccc3)CC2)cc1 ZINC000237272763 723558323 /nfs/dbraw/zinc/55/83/23/723558323.db2.gz GECPBXMZKDPWKN-UHFFFAOYSA-N 2 2 339.483 2.997 10 10 EFCELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000367998573 242398995 /nfs/dbraw/zinc/39/89/95/242398995.db2.gz UJUJOWKPJZPTBA-DZGCQCFKSA-N 2 2 344.434 2.594 10 10 EFCELP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000367998573 242399002 /nfs/dbraw/zinc/39/90/02/242399002.db2.gz UJUJOWKPJZPTBA-DZGCQCFKSA-N 2 2 344.434 2.594 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000131070711 472647685 /nfs/dbraw/zinc/64/76/85/472647685.db2.gz UGBYBKGOGXFHRP-KRWDZBQOSA-N 2 2 349.544 2.693 10 10 EFCELP CCOc1ccc(O)c(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)c1 ZINC000093079247 473039630 /nfs/dbraw/zinc/03/96/30/473039630.db2.gz CNANQHQVEPDIOC-UHFFFAOYSA-N 2 2 343.427 2.517 10 10 EFCELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cc(F)ccc2O)nc[nH+]1 ZINC000185992802 473566725 /nfs/dbraw/zinc/56/67/25/473566725.db2.gz CHAABBZZFHZYMI-OCCSQVGLSA-N 2 2 345.422 2.683 10 10 EFCELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ccc(F)cc2O)nc[nH+]1 ZINC000185992340 473566783 /nfs/dbraw/zinc/56/67/83/473566783.db2.gz VDASFGCHVKLJRM-JSGCOSHPSA-N 2 2 345.422 2.683 10 10 EFCELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(F)cc2O)nc[nH+]1 ZINC000185992377 473567022 /nfs/dbraw/zinc/56/70/22/473567022.db2.gz VDASFGCHVKLJRM-GXTWGEPZSA-N 2 2 345.422 2.683 10 10 EFCELP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)c(F)cc2O)CCCO1 ZINC000294815073 475084352 /nfs/dbraw/zinc/08/43/52/475084352.db2.gz XCEWYKNAQUSOMR-GFCCVEGCSA-N 2 2 330.831 2.775 10 10 EFCELP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)c(F)cc2O)CCCO1 ZINC000294815073 475084358 /nfs/dbraw/zinc/08/43/58/475084358.db2.gz XCEWYKNAQUSOMR-GFCCVEGCSA-N 2 2 330.831 2.775 10 10 EFCELP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000369684557 476476823 /nfs/dbraw/zinc/47/68/23/476476823.db2.gz VUAQKSOZJWBOSP-GOSISDBHSA-N 2 2 340.471 2.636 10 10 EFCELP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000369684557 476476833 /nfs/dbraw/zinc/47/68/33/476476833.db2.gz VUAQKSOZJWBOSP-GOSISDBHSA-N 2 2 340.471 2.636 10 10 EFCELP Oc1c(F)cccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000375414019 476825530 /nfs/dbraw/zinc/82/55/30/476825530.db2.gz HWIHUOFMDTXWQH-SFHVURJKSA-N 2 2 344.430 2.912 10 10 EFCELP Oc1c(F)cccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000375414019 476825536 /nfs/dbraw/zinc/82/55/36/476825536.db2.gz HWIHUOFMDTXWQH-SFHVURJKSA-N 2 2 344.430 2.912 10 10 EFCELP CC1([NH+]2CCOCC2)CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000530103926 477877152 /nfs/dbraw/zinc/87/71/52/477877152.db2.gz JDZXWBAFPXSEHJ-UHFFFAOYSA-N 2 2 344.499 2.958 10 10 EFCELP COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000245548938 536855920 /nfs/dbraw/zinc/85/59/20/536855920.db2.gz YKMGAMGEDFMODZ-DZGCQCFKSA-N 2 2 331.416 2.689 10 10 EFCELP COc1cc(O)c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000245548938 536855927 /nfs/dbraw/zinc/85/59/27/536855927.db2.gz YKMGAMGEDFMODZ-DZGCQCFKSA-N 2 2 331.416 2.689 10 10 EFCELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000756113524 575686375 /nfs/dbraw/zinc/68/63/75/575686375.db2.gz JUTXAMBIQBBXPB-DYVFJYSZSA-N 2 2 339.430 2.797 10 10 EFCELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000756113524 575686379 /nfs/dbraw/zinc/68/63/79/575686379.db2.gz JUTXAMBIQBBXPB-DYVFJYSZSA-N 2 2 339.430 2.797 10 10 EFCELP COc1ccc(N2CC[C@H]([NH2+]Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000850346544 1250440216 /nfs/dbraw/zinc/44/02/16/1250440216.db2.gz GVHDZUCPGRDPFL-AWEZNQCLSA-N 2 2 346.500 2.582 10 10 EFCELP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)ccc1O ZINC000817984490 1276424791 /nfs/dbraw/zinc/42/47/91/1276424791.db2.gz YVXYAQPPAJKYLF-IUDNXUCKSA-N 2 2 337.895 2.913 10 10 EFCELP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)ccc1O ZINC000817984490 1276424803 /nfs/dbraw/zinc/42/48/03/1276424803.db2.gz YVXYAQPPAJKYLF-IUDNXUCKSA-N 2 2 337.895 2.913 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@@H]3SC)CC2)cc1 ZINC000822451546 1288993216 /nfs/dbraw/zinc/99/32/16/1288993216.db2.gz LPWZEYPZDYCLBD-OALUTQOASA-N 2 2 349.544 2.691 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@@H]3SC)CC2)cc1 ZINC000822451545 1288993321 /nfs/dbraw/zinc/99/33/21/1288993321.db2.gz LPWZEYPZDYCLBD-MOPGFXCFSA-N 2 2 349.544 2.691 10 10 EFCELP CN(C)c1ccc(/C=C\C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903970521 1313515713 /nfs/dbraw/zinc/51/57/13/1313515713.db2.gz YMJQCEZVBVZYLQ-DDKKJVIOSA-N 2 2 329.488 2.514 10 10 EFCELP CCN(CC)c1ccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973791 1313521373 /nfs/dbraw/zinc/52/13/73/1313521373.db2.gz IAFGDSSMEXBEJD-GOSISDBHSA-N 2 2 331.504 2.781 10 10 EFCELP COc1cc(Br)cc([C@H](C)[NH2+]CCn2cc[nH+]c2)c1O ZINC000848514223 1334768437 /nfs/dbraw/zinc/76/84/37/1334768437.db2.gz LKQNXEWCKWWYAI-JTQLQIEISA-N 2 2 340.221 2.711 10 10 EFCELP C[NH+](C)C1CC([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000848558440 1334793200 /nfs/dbraw/zinc/79/32/00/1334793200.db2.gz RBUDUUQMGOATHF-UHFFFAOYSA-N 2 2 332.448 2.767 10 10 EFCELP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(Br)c(F)cc1O ZINC000925787370 718019189 /nfs/dbraw/zinc/01/91/89/718019189.db2.gz YQCCJHIVFZDSGJ-UTLUCORTSA-N 2 2 331.229 2.800 10 10 EFCELP COCCC[NH+]1CCC([NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840892001 719002785 /nfs/dbraw/zinc/00/27/85/719002785.db2.gz XFHUSDXBGVDQBM-UHFFFAOYSA-N 2 2 326.868 2.945 10 10 EFCELP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000367998579 242398239 /nfs/dbraw/zinc/39/82/39/242398239.db2.gz UJUJOWKPJZPTBA-UKRRQHHQSA-N 2 2 344.434 2.594 10 10 EFCELP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000367998579 242398245 /nfs/dbraw/zinc/39/82/45/242398245.db2.gz UJUJOWKPJZPTBA-UKRRQHHQSA-N 2 2 344.434 2.594 10 10 EFCELP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(O)c1 ZINC000184992242 473294999 /nfs/dbraw/zinc/29/49/99/473294999.db2.gz QXITWZQGZHGGRY-LPHOPBHVSA-N 2 2 340.467 2.770 10 10 EFCELP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c(O)c1 ZINC000184992242 473295004 /nfs/dbraw/zinc/29/50/04/473295004.db2.gz QXITWZQGZHGGRY-LPHOPBHVSA-N 2 2 340.467 2.770 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000131070464 472647298 /nfs/dbraw/zinc/64/72/98/472647298.db2.gz UGBYBKGOGXFHRP-QGZVFWFLSA-N 2 2 349.544 2.693 10 10 EFCELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000122940004 473077090 /nfs/dbraw/zinc/07/70/90/473077090.db2.gz ITWRZAXDIHJMTA-AWEZNQCLSA-N 2 2 329.400 2.717 10 10 EFCELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000122940004 473077095 /nfs/dbraw/zinc/07/70/95/473077095.db2.gz ITWRZAXDIHJMTA-AWEZNQCLSA-N 2 2 329.400 2.717 10 10 EFCELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cc(C)ccc2O)nc[nH+]1 ZINC000185992275 473566679 /nfs/dbraw/zinc/56/66/79/473566679.db2.gz ZBWBFHOEZMRWRY-GJZGRUSLSA-N 2 2 341.459 2.852 10 10 EFCELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cc(F)ccc2O)nc[nH+]1 ZINC000185992783 473567127 /nfs/dbraw/zinc/56/71/27/473567127.db2.gz CHAABBZZFHZYMI-JSGCOSHPSA-N 2 2 345.422 2.683 10 10 EFCELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(C)cc2O)nc[nH+]1 ZINC000185992733 473567226 /nfs/dbraw/zinc/56/72/26/473567226.db2.gz NRVDRJVGNNBAOU-HUUCEWRRSA-N 2 2 341.459 2.852 10 10 EFCELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccccc2O)nc[nH+]1 ZINC000183596723 474396697 /nfs/dbraw/zinc/39/66/97/474396697.db2.gz SCLGBUYYILVNND-KGLIPLIRSA-N 2 2 327.432 2.544 10 10 EFCELP c1[nH]cc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)[nH+]1 ZINC000371333599 477251064 /nfs/dbraw/zinc/25/10/64/477251064.db2.gz DTUVIIQRGYNNIC-UHFFFAOYSA-N 2 2 326.444 2.626 10 10 EFCELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000756113520 575686476 /nfs/dbraw/zinc/68/64/76/575686476.db2.gz JUTXAMBIQBBXPB-CXAGYDPISA-N 2 2 339.430 2.797 10 10 EFCELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000756113520 575686479 /nfs/dbraw/zinc/68/64/79/575686479.db2.gz JUTXAMBIQBBXPB-CXAGYDPISA-N 2 2 339.430 2.797 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+]CC3(C)CCC3)CC2)cc1 ZINC000766215393 577122463 /nfs/dbraw/zinc/12/24/63/577122463.db2.gz WLSIXZBLFGIGDU-UHFFFAOYSA-N 2 2 331.504 2.987 10 10 EFCELP Oc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000843128404 1261188290 /nfs/dbraw/zinc/18/82/90/1261188290.db2.gz LCNFMRYOIGXFAH-AWEZNQCLSA-N 2 2 325.250 2.919 10 10 EFCELP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000817941891 1276387102 /nfs/dbraw/zinc/38/71/02/1276387102.db2.gz LPGIXJZDFHHPBY-JRBPQWBISA-N 2 2 331.504 2.937 10 10 EFCELP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)cc(F)c1O ZINC000817982615 1276420457 /nfs/dbraw/zinc/42/04/57/1276420457.db2.gz HCUIRNIXTNLTJZ-GRTSSRMGSA-N 2 2 339.430 2.537 10 10 EFCELP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C2(CCC2)CO1 ZINC001327310779 1330457924 /nfs/dbraw/zinc/45/79/24/1330457924.db2.gz HCNQQKPXKUAAKA-INIZCTEOSA-N 2 2 347.478 2.721 10 10 EFCELP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C2(CCC2)CO1 ZINC001327310779 1330457927 /nfs/dbraw/zinc/45/79/27/1330457927.db2.gz HCNQQKPXKUAAKA-INIZCTEOSA-N 2 2 347.478 2.721 10 10 EFCELP COc1cc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1OC ZINC000849350029 1335596515 /nfs/dbraw/zinc/59/65/15/1335596515.db2.gz NTLNVFFEIODIIB-IAGOWNOFSA-N 2 2 342.439 2.645 10 10 EFCELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccccc2O)cc1F ZINC000849352494 1335597378 /nfs/dbraw/zinc/59/73/78/1335597378.db2.gz MXHRZLYVLVAGHI-RDJZCZTQSA-N 2 2 330.403 2.775 10 10 EFCELP COC(=O)c1c(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894312971 722067945 /nfs/dbraw/zinc/06/79/45/722067945.db2.gz OXQWRZBONULVNR-TZMCWYRMSA-N 2 2 347.434 2.676 10 10 EFCELP COC(=O)c1c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894312971 722067947 /nfs/dbraw/zinc/06/79/47/722067947.db2.gz OXQWRZBONULVNR-TZMCWYRMSA-N 2 2 347.434 2.676 10 10 EFCELP CCO[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)C[NH+](C)C ZINC000926957415 1108266343 /nfs/dbraw/zinc/26/63/43/1108266343.db2.gz BHSAHTGCRIDXNY-WCQYABFASA-N 2 2 345.281 2.772 10 10 EFCELP C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246451388 240268816 /nfs/dbraw/zinc/26/88/16/240268816.db2.gz NSCIIRCTHBIUFG-FXAWDEMLSA-N 2 2 340.471 2.803 10 10 EFCELP C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246451388 240268825 /nfs/dbraw/zinc/26/88/25/240268825.db2.gz NSCIIRCTHBIUFG-FXAWDEMLSA-N 2 2 340.471 2.803 10 10 EFCELP C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246451398 240268996 /nfs/dbraw/zinc/26/89/96/240268996.db2.gz NSCIIRCTHBIUFG-YLJYHZDGSA-N 2 2 340.471 2.803 10 10 EFCELP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246451398 240269001 /nfs/dbraw/zinc/26/90/01/240269001.db2.gz NSCIIRCTHBIUFG-YLJYHZDGSA-N 2 2 340.471 2.803 10 10 EFCELP C[C@H]([NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1O ZINC000248383681 240288942 /nfs/dbraw/zinc/28/89/42/240288942.db2.gz AXSHFHJWRGMSMM-CGTJXYLNSA-N 2 2 326.440 2.678 10 10 EFCELP C[C@H]([NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccccc1O ZINC000248383681 240288945 /nfs/dbraw/zinc/28/89/45/240288945.db2.gz AXSHFHJWRGMSMM-CGTJXYLNSA-N 2 2 326.440 2.678 10 10 EFCELP COc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190478528 473289238 /nfs/dbraw/zinc/28/92/38/473289238.db2.gz WLSIGAXYNHRHHJ-KRWDZBQOSA-N 2 2 341.455 2.750 10 10 EFCELP COc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190478528 473289243 /nfs/dbraw/zinc/28/92/43/473289243.db2.gz WLSIGAXYNHRHHJ-KRWDZBQOSA-N 2 2 341.455 2.750 10 10 EFCELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc(F)ccc1O ZINC000184992408 473294531 /nfs/dbraw/zinc/29/45/31/473294531.db2.gz HBVGQGUEKZVTIW-KSSFIOAISA-N 2 2 344.430 2.601 10 10 EFCELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(F)ccc1O ZINC000184992408 473294544 /nfs/dbraw/zinc/29/45/44/473294544.db2.gz HBVGQGUEKZVTIW-KSSFIOAISA-N 2 2 344.430 2.601 10 10 EFCELP COc1c(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000278555719 474701385 /nfs/dbraw/zinc/70/13/85/474701385.db2.gz AOHFAVDISHUWFG-DOMZBBRYSA-N 2 2 346.387 2.589 10 10 EFCELP COc1c(O)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000278555719 474701393 /nfs/dbraw/zinc/70/13/93/474701393.db2.gz AOHFAVDISHUWFG-DOMZBBRYSA-N 2 2 346.387 2.589 10 10 EFCELP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293581146 475041415 /nfs/dbraw/zinc/04/14/15/475041415.db2.gz JRZUDUYWYSKLOF-ZDUSSCGKSA-N 2 2 343.874 2.548 10 10 EFCELP Cc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1O ZINC000530179732 477878248 /nfs/dbraw/zinc/87/82/48/477878248.db2.gz WBBKDWMNXUYQPI-ZDUSSCGKSA-N 2 2 325.250 2.837 10 10 EFCELP CCSCC[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000761521020 576174160 /nfs/dbraw/zinc/17/41/60/576174160.db2.gz IEENDSPCLWFWEX-UHFFFAOYSA-N 2 2 337.533 2.550 10 10 EFCELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000756113526 575686321 /nfs/dbraw/zinc/68/63/21/575686321.db2.gz JUTXAMBIQBBXPB-SUMWQHHRSA-N 2 2 339.430 2.797 10 10 EFCELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000756113526 575686322 /nfs/dbraw/zinc/68/63/22/575686322.db2.gz JUTXAMBIQBBXPB-SUMWQHHRSA-N 2 2 339.430 2.797 10 10 EFCELP Oc1c(Br)cccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843127849 1261085038 /nfs/dbraw/zinc/08/50/38/1261085038.db2.gz UBOUKSNQNOHMSV-TXEJJXNPSA-N 2 2 325.250 2.586 10 10 EFCELP Oc1c(Br)cccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843127849 1261085042 /nfs/dbraw/zinc/08/50/42/1261085042.db2.gz UBOUKSNQNOHMSV-TXEJJXNPSA-N 2 2 325.250 2.586 10 10 EFCELP CCO[C@@H](C[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O)C[NH+](C)C ZINC000922756649 1266742171 /nfs/dbraw/zinc/74/21/71/1266742171.db2.gz RJRXSOKAQNBTFU-INIZCTEOSA-N 2 2 338.492 2.755 10 10 EFCELP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(Br)cc(F)c1O ZINC000817971260 1276414475 /nfs/dbraw/zinc/41/44/75/1276414475.db2.gz LLDFHRGWQSPEKP-MWODSPESSA-N 2 2 331.229 2.942 10 10 EFCELP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)cc(F)c1O ZINC000817982616 1276420815 /nfs/dbraw/zinc/42/08/15/1276420815.db2.gz HCUIRNIXTNLTJZ-LRVUVFPRSA-N 2 2 339.430 2.537 10 10 EFCELP CCO[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000844903613 1279325233 /nfs/dbraw/zinc/32/52/33/1279325233.db2.gz HPTUOFXKXRSPAO-CZUORRHYSA-N 2 2 345.409 2.567 10 10 EFCELP CCO[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000844903613 1279325239 /nfs/dbraw/zinc/32/52/39/1279325239.db2.gz HPTUOFXKXRSPAO-CZUORRHYSA-N 2 2 345.409 2.567 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3C[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000813854522 1286144428 /nfs/dbraw/zinc/14/44/28/1286144428.db2.gz FDLFJBSOAOOLRB-FUHIMQAGSA-N 2 2 331.504 2.841 10 10 EFCELP c1ccc(NCCC[NH2+]Cc2ccc(N3CCOCC3)cc2)[nH+]c1 ZINC001177932008 1288604389 /nfs/dbraw/zinc/60/43/89/1288604389.db2.gz GHRKLVZGBFCSKZ-UHFFFAOYSA-N 2 2 326.444 2.510 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@H]3SC)CC2)cc1 ZINC000822451547 1288993310 /nfs/dbraw/zinc/99/33/10/1288993310.db2.gz LPWZEYPZDYCLBD-RBUKOAKNSA-N 2 2 349.544 2.691 10 10 EFCELP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]([NH3+])CC(F)F ZINC000903897295 1313373258 /nfs/dbraw/zinc/37/32/58/1313373258.db2.gz GUMBDOPAHXYRLM-LLVKDONJSA-N 2 2 337.208 2.959 10 10 EFCELP CC[N@H+](Cc1cc(Br)ccc1O)C[C@H]([NH3+])CC(F)F ZINC000903897295 1313373261 /nfs/dbraw/zinc/37/32/61/1313373261.db2.gz GUMBDOPAHXYRLM-LLVKDONJSA-N 2 2 337.208 2.959 10 10 EFCELP CCN(CC)c1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973794 1313521332 /nfs/dbraw/zinc/52/13/32/1313521332.db2.gz IAFGDSSMEXBEJD-SFHVURJKSA-N 2 2 331.504 2.781 10 10 EFCELP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C)no3)cc2F)CC1 ZINC000865457670 1303265804 /nfs/dbraw/zinc/26/58/04/1303265804.db2.gz ZZZKRWZEOMVIKW-UHFFFAOYSA-N 2 2 332.423 2.554 10 10 EFCELP CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929926 1334994861 /nfs/dbraw/zinc/99/48/61/1334994861.db2.gz LLGXDUBXJFHBHN-OMUFJYGLSA-N 2 2 343.515 2.953 10 10 EFCELP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929926 1334994875 /nfs/dbraw/zinc/99/48/75/1334994875.db2.gz LLGXDUBXJFHBHN-OMUFJYGLSA-N 2 2 343.515 2.953 10 10 EFCELP CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929928 1334994996 /nfs/dbraw/zinc/99/49/96/1334994996.db2.gz LLGXDUBXJFHBHN-VEBBDIFPSA-N 2 2 343.515 2.953 10 10 EFCELP CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929928 1334994999 /nfs/dbraw/zinc/99/49/99/1334994999.db2.gz LLGXDUBXJFHBHN-VEBBDIFPSA-N 2 2 343.515 2.953 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)[C@@H]3C[C@H]3C)CC2)cc1 ZINC000840710049 723900681 /nfs/dbraw/zinc/90/06/81/723900681.db2.gz HRFMIIIFNNSFHE-MBOZVWFJSA-N 2 2 331.504 2.841 10 10 EFCELP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(O)c1 ZINC000248515201 240290783 /nfs/dbraw/zinc/29/07/83/240290783.db2.gz NYJBKVOHPLOXTO-YTQUADARSA-N 2 2 340.467 2.987 10 10 EFCELP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c(O)c1 ZINC000248515201 240290786 /nfs/dbraw/zinc/29/07/86/240290786.db2.gz NYJBKVOHPLOXTO-YTQUADARSA-N 2 2 340.467 2.987 10 10 EFCELP COc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530179164 317071664 /nfs/dbraw/zinc/07/16/64/317071664.db2.gz USORHNPRBHADFP-CYBMUJFWSA-N 2 2 341.249 2.538 10 10 EFCELP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1O ZINC000180032068 473781229 /nfs/dbraw/zinc/78/12/29/473781229.db2.gz RJOKTWUWQDSPOP-OAHLLOKOSA-N 2 2 338.879 2.898 10 10 EFCELP Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1O ZINC000180032068 473781237 /nfs/dbraw/zinc/78/12/37/473781237.db2.gz RJOKTWUWQDSPOP-OAHLLOKOSA-N 2 2 338.879 2.898 10 10 EFCELP Cc1nc(N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)cc[nH+]1 ZINC000184111958 474473443 /nfs/dbraw/zinc/47/34/43/474473443.db2.gz MWINAHWIVGUHMI-UHFFFAOYSA-N 2 2 334.423 2.966 10 10 EFCELP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)c(F)cc2O)CCCO1 ZINC000294815075 475085907 /nfs/dbraw/zinc/08/59/07/475085907.db2.gz XCEWYKNAQUSOMR-LBPRGKRZSA-N 2 2 330.831 2.775 10 10 EFCELP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)c(F)cc2O)CCCO1 ZINC000294815075 475085912 /nfs/dbraw/zinc/08/59/12/475085912.db2.gz XCEWYKNAQUSOMR-LBPRGKRZSA-N 2 2 330.831 2.775 10 10 EFCELP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000369684559 476476666 /nfs/dbraw/zinc/47/66/66/476476666.db2.gz VUAQKSOZJWBOSP-SFHVURJKSA-N 2 2 340.471 2.636 10 10 EFCELP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000369684559 476476671 /nfs/dbraw/zinc/47/66/71/476476671.db2.gz VUAQKSOZJWBOSP-SFHVURJKSA-N 2 2 340.471 2.636 10 10 EFCELP Oc1c(F)cc(Cl)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248537 477879661 /nfs/dbraw/zinc/87/96/61/477879661.db2.gz LVZSJBDTRVUQJN-HNNXBMFYSA-N 2 2 342.842 2.775 10 10 EFCELP COc1ccc(N2CC[C@@H]([NH2+]Cc3ncc(C[NH+](C)C)s3)C2)cc1 ZINC000850346545 1250440496 /nfs/dbraw/zinc/44/04/96/1250440496.db2.gz GVHDZUCPGRDPFL-CQSZACIVSA-N 2 2 346.500 2.582 10 10 EFCELP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715769028 1264914654 /nfs/dbraw/zinc/91/46/54/1264914654.db2.gz IBRYPHTYXZGVBP-SNVBAGLBSA-N 2 2 331.229 2.855 10 10 EFCELP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000715769028 1264914658 /nfs/dbraw/zinc/91/46/58/1264914658.db2.gz IBRYPHTYXZGVBP-SNVBAGLBSA-N 2 2 331.229 2.855 10 10 EFCELP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 ZINC000817942560 1276388905 /nfs/dbraw/zinc/38/89/05/1276388905.db2.gz PPHBJUXFMNTZRG-GSEOLPGOSA-N 2 2 331.504 2.937 10 10 EFCELP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(Br)c(F)cc1O ZINC000817972098 1276415589 /nfs/dbraw/zinc/41/55/89/1276415589.db2.gz SXRFMYLBGUTOHJ-ZDMBXUJBSA-N 2 2 331.229 2.942 10 10 EFCELP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(Br)c(F)cc1O ZINC000817972097 1276416362 /nfs/dbraw/zinc/41/63/62/1276416362.db2.gz SXRFMYLBGUTOHJ-VYUIOLGVSA-N 2 2 331.229 2.942 10 10 EFCELP COc1c[nH+]ccc1N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000793369020 1279580257 /nfs/dbraw/zinc/58/02/57/1279580257.db2.gz APJZHAPDMRMUAE-UHFFFAOYSA-N 2 2 333.819 2.771 10 10 EFCELP COc1ccc(N2CCC([NH2+][C@H]3CCc4[nH+]c[nH]c4C3)CC2)cc1 ZINC000810252340 1283106400 /nfs/dbraw/zinc/10/64/00/1283106400.db2.gz BXOCJFYZZNVTLC-HNNXBMFYSA-N 2 2 326.444 2.534 10 10 EFCELP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000813854523 1286144648 /nfs/dbraw/zinc/14/46/48/1286144648.db2.gz FDLFJBSOAOOLRB-MBOZVWFJSA-N 2 2 331.504 2.841 10 10 EFCELP Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903957343 1313487200 /nfs/dbraw/zinc/48/72/00/1313487200.db2.gz PYEQQGSKSTYKTR-LLVKDONJSA-N 2 2 349.219 2.798 10 10 EFCELP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3oc(C)nc3C)cc2F)CC1 ZINC000862277896 1302327318 /nfs/dbraw/zinc/32/73/18/1302327318.db2.gz PCYIKUNUBSOBLU-UHFFFAOYSA-N 2 2 346.450 2.862 10 10 EFCELP