smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124512510 346012589 /nfs/dbraw/zinc/01/25/89/346012589.db2.gz QITZDPRAYYJYCN-FRRDWIJNSA-N 1 3 278.362 3.181 10 0 CGAEHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124512510 346012592 /nfs/dbraw/zinc/01/25/92/346012592.db2.gz QITZDPRAYYJYCN-FRRDWIJNSA-N 1 3 278.362 3.181 10 0 CGAEHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124512510 346012594 /nfs/dbraw/zinc/01/25/94/346012594.db2.gz QITZDPRAYYJYCN-FRRDWIJNSA-N 1 3 278.362 3.181 10 0 CGAEHO CC[C@H]1CC[N@H+](CC2(C)CCCC2)CC[C@H](C)N1 ZINC000104442350 186004540 /nfs/dbraw/zinc/00/45/40/186004540.db2.gz SDZQOADDZWCIJO-GJZGRUSLSA-N 1 3 252.446 3.419 10 0 CGAEHO CC[C@H]1CC[N@@H+](CC2(C)CCCC2)CC[C@H](C)N1 ZINC000104442350 186004542 /nfs/dbraw/zinc/00/45/42/186004542.db2.gz SDZQOADDZWCIJO-GJZGRUSLSA-N 1 3 252.446 3.419 10 0 CGAEHO C[C@@H](NCCc1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000400528110 234947999 /nfs/dbraw/zinc/94/79/99/234947999.db2.gz QTUOEYVDTPJXME-PWSUYJOCSA-N 1 3 287.234 3.124 10 0 CGAEHO Cc1cc(N2CC[NH2+]CC2)c2cccc(C(C)C)c2n1 ZINC000040175094 369153204 /nfs/dbraw/zinc/15/32/04/369153204.db2.gz WCSYUBMOJAQCJX-UHFFFAOYSA-N 1 3 269.392 3.076 10 0 CGAEHO CC[N@@H+]1CCC[C@H](Nc2cc(C)nc3ccccc32)C1 ZINC000040503187 369159163 /nfs/dbraw/zinc/15/91/63/369159163.db2.gz BFLLWTVJNNDUQI-AWEZNQCLSA-N 1 3 269.392 3.439 10 0 CGAEHO CC[N@H+]1CCC[C@H](Nc2cc(C)nc3ccccc32)C1 ZINC000040503187 369159170 /nfs/dbraw/zinc/15/91/70/369159170.db2.gz BFLLWTVJNNDUQI-AWEZNQCLSA-N 1 3 269.392 3.439 10 0 CGAEHO C[C@@H]([NH2+][C@H](C)C1CCN(C)CC1)c1cccs1 ZINC000037221412 541864444 /nfs/dbraw/zinc/86/44/44/541864444.db2.gz LBQWYHXJIOCGTN-VXGBXAGGSA-N 1 3 252.427 3.129 10 0 CGAEHO CN1CCC[C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)CC[C@H]21 ZINC000245738556 376895214 /nfs/dbraw/zinc/89/52/14/376895214.db2.gz FXSNIVCKDZMDQW-CRAIPNDOSA-N 1 3 283.419 3.084 10 0 CGAEHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CC[C@H]21 ZINC000245738556 376895222 /nfs/dbraw/zinc/89/52/22/376895222.db2.gz FXSNIVCKDZMDQW-CRAIPNDOSA-N 1 3 283.419 3.084 10 0 CGAEHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4[nH]ccc43)CC[C@H]21 ZINC000245738556 376895230 /nfs/dbraw/zinc/89/52/30/376895230.db2.gz FXSNIVCKDZMDQW-CRAIPNDOSA-N 1 3 283.419 3.084 10 0 CGAEHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc4[nH]ccc43)CC[C@H]21 ZINC000245738556 376895237 /nfs/dbraw/zinc/89/52/37/376895237.db2.gz FXSNIVCKDZMDQW-CRAIPNDOSA-N 1 3 283.419 3.084 10 0 CGAEHO CC[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000400399444 379949469 /nfs/dbraw/zinc/94/94/69/379949469.db2.gz KDKVUSHLAZEVQZ-LNSITVRQSA-N 1 3 266.816 3.379 10 0 CGAEHO CC[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000400399448 379949930 /nfs/dbraw/zinc/94/99/30/379949930.db2.gz KDKVUSHLAZEVQZ-ZLDLUXBVSA-N 1 3 266.816 3.379 10 0 CGAEHO CC(C)[C@@H](C)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000159036504 321827716 /nfs/dbraw/zinc/82/77/16/321827716.db2.gz HTRBJUIGKCWDTH-HUUCEWRRSA-N 1 3 278.440 3.322 10 0 CGAEHO C[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000386071664 336165882 /nfs/dbraw/zinc/16/58/82/336165882.db2.gz ZVDBIJDMLKOGMU-LOWDOPEQSA-N 1 3 278.362 3.228 10 0 CGAEHO CCC1CCN(Cc2occc2C[NH2+]C(C)C)CC1 ZINC000052346955 519859446 /nfs/dbraw/zinc/85/94/46/519859446.db2.gz KASPWYVFERCTFK-UHFFFAOYSA-N 1 3 264.413 3.400 10 0 CGAEHO CCCC1CCN(C[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000052373861 519901580 /nfs/dbraw/zinc/90/15/80/519901580.db2.gz XRCLPWSYVIUSRX-HNNXBMFYSA-N 1 3 254.462 3.380 10 0 CGAEHO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1CN(C)C(C)C ZINC000054559592 520219434 /nfs/dbraw/zinc/21/94/34/520219434.db2.gz NVWQNZDDSHHRPH-XHSDSOJGSA-N 1 3 254.462 3.377 10 0 CGAEHO CCN(CC)Cc1cc(C)c(C[NH2+]CC(C)C)o1 ZINC000052378455 520743672 /nfs/dbraw/zinc/74/36/72/520743672.db2.gz LJEGLGANPVDKIH-UHFFFAOYSA-N 1 3 252.402 3.175 10 0 CGAEHO C[N@@H+]1CCCC[C@H]1CCN[C@@H]1C[C@@H]1c1ccccc1 ZINC000052206146 523798956 /nfs/dbraw/zinc/79/89/56/523798956.db2.gz ZTEFRFZSOUIEMD-GVDBMIGSSA-N 1 3 258.409 3.007 10 0 CGAEHO C[N@H+]1CCCC[C@H]1CCN[C@@H]1C[C@@H]1c1ccccc1 ZINC000052206146 523798959 /nfs/dbraw/zinc/79/89/59/523798959.db2.gz ZTEFRFZSOUIEMD-GVDBMIGSSA-N 1 3 258.409 3.007 10 0 CGAEHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000250683444 572530105 /nfs/dbraw/zinc/53/01/05/572530105.db2.gz ZMWHNDIGYJWAKV-RFGFWPKPSA-N 1 3 290.373 3.324 10 0 CGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC1=[NH+]CCCC1 ZINC000306583276 346455544 /nfs/dbraw/zinc/45/55/44/346455544.db2.gz PPEFHSHXCCTGKC-DOTOQJQBSA-N 1 3 285.435 3.069 10 0 CGAEHO CC[C@H](c1cccs1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000310101234 374207741 /nfs/dbraw/zinc/20/77/41/374207741.db2.gz XXCATTPCQTUYFY-YRGRVCCFSA-N 1 3 252.427 3.116 10 0 CGAEHO CC[C@H](c1cccs1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000310101234 374207746 /nfs/dbraw/zinc/20/77/46/374207746.db2.gz XXCATTPCQTUYFY-YRGRVCCFSA-N 1 3 252.427 3.116 10 0 CGAEHO CC(C)N1CC[C@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000089576838 541953596 /nfs/dbraw/zinc/95/35/96/541953596.db2.gz NBIKHGPUILIVFT-UYSNPLJNSA-N 1 3 252.446 3.133 10 0 CGAEHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)C1 ZINC000252439264 377622460 /nfs/dbraw/zinc/62/24/60/377622460.db2.gz MLADNOLBOGJIRM-WCXIOVBPSA-N 1 3 266.473 3.379 10 0 CGAEHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(Cl)c1 ZINC000181422625 542218861 /nfs/dbraw/zinc/21/88/61/542218861.db2.gz XERYSADKMKRDSL-WFASDCNBSA-N 1 3 266.816 3.475 10 0 CGAEHO C[C@@H](NCCc1ccc(Cl)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000400528112 379951487 /nfs/dbraw/zinc/95/14/87/379951487.db2.gz QTUOEYVDTPJXME-ZYHUDNBSSA-N 1 3 287.234 3.124 10 0 CGAEHO C[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000647804463 392805008 /nfs/dbraw/zinc/80/50/08/392805008.db2.gz RKBHATGUFKQXKO-ZDEQEGDKSA-N 1 3 278.362 3.085 10 0 CGAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc[nH]c2)CC1 ZINC000093844562 165340784 /nfs/dbraw/zinc/34/07/84/165340784.db2.gz DQKUWBBTNXRLCZ-MRXNPFEDSA-N 1 3 289.467 3.491 10 0 CGAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cc[nH]c2)CC1 ZINC000093844562 165340785 /nfs/dbraw/zinc/34/07/85/165340785.db2.gz DQKUWBBTNXRLCZ-MRXNPFEDSA-N 1 3 289.467 3.491 10 0 CGAEHO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN(C)C)C1 ZINC000020128576 171015237 /nfs/dbraw/zinc/01/52/37/171015237.db2.gz KNVYDKDYZZTIMO-RHSMWYFYSA-N 1 3 260.425 3.417 10 0 CGAEHO CC(C)[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000400485573 280332468 /nfs/dbraw/zinc/33/24/68/280332468.db2.gz XJAZPHQVWRSSTR-NOLJZWGESA-N 1 3 264.388 3.110 10 0 CGAEHO C[C@H]([NH2+]CC(C1CCC1)C1CCC1)[C@@H]1CCCNC1 ZINC000530211013 288300503 /nfs/dbraw/zinc/30/05/03/288300503.db2.gz LFIFJIPRMOVBOF-XJKSGUPXSA-N 1 3 264.457 3.181 10 0 CGAEHO C[C@@H](NC1CCC(C(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000385968804 336163630 /nfs/dbraw/zinc/16/36/30/336163630.db2.gz GLURQKLFVSYAJJ-XVSSEFHLSA-N 1 3 278.362 3.228 10 0 CGAEHO CC(C)[NH2+]CCC[C@@H](C)N1CCc2sccc2C1 ZINC000052416566 519720983 /nfs/dbraw/zinc/72/09/83/519720983.db2.gz VVKHUFANDXVTMV-CYBMUJFWSA-N 1 3 266.454 3.273 10 0 CGAEHO CC(C)(C)[NH2+]Cc1ccc(CN2CCSCC2)cc1 ZINC000052443269 518764640 /nfs/dbraw/zinc/76/46/40/518764640.db2.gz UEGHWGIACMXVEQ-UHFFFAOYSA-N 1 3 278.465 3.124 10 0 CGAEHO CC(C)=CCNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192921632 519440070 /nfs/dbraw/zinc/44/00/70/519440070.db2.gz VHLXKADECATLAZ-QGZVFWFLSA-N 1 3 258.409 3.064 10 0 CGAEHO CC(C)=CCNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192921632 519440077 /nfs/dbraw/zinc/44/00/77/519440077.db2.gz VHLXKADECATLAZ-QGZVFWFLSA-N 1 3 258.409 3.064 10 0 CGAEHO CC(C)[C@H](N[C@@H](C)CC[NH+](C)C)c1cccs1 ZINC000049554144 519821373 /nfs/dbraw/zinc/82/13/73/519821373.db2.gz OFIROSGVRQXBGK-JSGCOSHPSA-N 1 3 254.443 3.375 10 0 CGAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC[C@H](C)C1 ZINC000054628040 519910899 /nfs/dbraw/zinc/91/08/99/519910899.db2.gz HHAUHSLJOHUCDP-KHEOEIQESA-N 1 3 250.430 3.170 10 0 CGAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC[C@H](C)C1 ZINC000054628040 519910901 /nfs/dbraw/zinc/91/09/01/519910901.db2.gz HHAUHSLJOHUCDP-KHEOEIQESA-N 1 3 250.430 3.170 10 0 CGAEHO CCC[NH2+]Cc1ccoc1CN(C)CC(C)(C)C ZINC000052570064 519958500 /nfs/dbraw/zinc/95/85/00/519958500.db2.gz HPCDBJBUJXPMIY-UHFFFAOYSA-N 1 3 252.402 3.257 10 0 CGAEHO C[C@H](CCC[NH3+])N(C)Cc1cc(Br)cs1 ZINC000052517097 524141046 /nfs/dbraw/zinc/14/10/46/524141046.db2.gz RUWYPBOGCLZXLY-SECBINFHSA-N 1 3 291.258 3.070 10 0 CGAEHO Cc1oc(CN2CCCCCC2)cc1C[NH2+]C(C)C ZINC000052381857 526770806 /nfs/dbraw/zinc/77/08/06/526770806.db2.gz WEAGYEGMDRPMSG-UHFFFAOYSA-N 1 3 264.413 3.462 10 0 CGAEHO N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCCC1 ZINC000409432288 346605889 /nfs/dbraw/zinc/60/58/89/346605889.db2.gz NHGYCJUMFOKBQE-DLBZAZTESA-N 1 3 258.409 3.026 10 0 CGAEHO N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCCC1 ZINC000409432288 346605892 /nfs/dbraw/zinc/60/58/92/346605892.db2.gz NHGYCJUMFOKBQE-DLBZAZTESA-N 1 3 258.409 3.026 10 0 CGAEHO CC(C)(C)[NH2+]C[C@@H]1CCN(CC2(C)CCCC2)C1 ZINC000104443597 186003738 /nfs/dbraw/zinc/00/37/38/186003738.db2.gz KOWOGOKLGPJYPX-AWEZNQCLSA-N 1 3 252.446 3.277 10 0 CGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CCN1 ZINC000423367258 236051317 /nfs/dbraw/zinc/05/13/17/236051317.db2.gz DIOFBSAZNTWZIS-APIJFGDWSA-N 1 3 252.446 3.321 10 0 CGAEHO Cc1csc(C2CC[NH+](CC[C@H]3CCCN3C)CC2)n1 ZINC000162915248 372433746 /nfs/dbraw/zinc/43/37/46/372433746.db2.gz NQZTXJKQMKQXMF-OAHLLOKOSA-N 1 3 293.480 3.115 10 0 CGAEHO C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000189915735 375458987 /nfs/dbraw/zinc/45/89/87/375458987.db2.gz AFJHEPOEUBLEAM-WBVHZDCISA-N 1 3 298.434 3.007 10 0 CGAEHO C[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000189915735 375458992 /nfs/dbraw/zinc/45/89/92/375458992.db2.gz AFJHEPOEUBLEAM-WBVHZDCISA-N 1 3 298.434 3.007 10 0 CGAEHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(-n2ccnc2)c1 ZINC000189915735 375459000 /nfs/dbraw/zinc/45/90/00/375459000.db2.gz AFJHEPOEUBLEAM-WBVHZDCISA-N 1 3 298.434 3.007 10 0 CGAEHO CCCCN1CCC([NH2+]Cc2ccn(CCC)c2)CC1 ZINC000091012055 165252049 /nfs/dbraw/zinc/25/20/49/165252049.db2.gz ZQUUOLQQNOGERE-UHFFFAOYSA-N 1 3 277.456 3.252 10 0 CGAEHO C[C@@H](c1ccc(Cl)s1)N1CCC(C[NH3+])CC1 ZINC000044512244 175188390 /nfs/dbraw/zinc/18/83/90/175188390.db2.gz SOTLIRXDOQKYIR-VIFPVBQESA-N 1 3 258.818 3.133 10 0 CGAEHO C[C@H](NC1CCC(C(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000385968809 336163487 /nfs/dbraw/zinc/16/34/87/336163487.db2.gz GLURQKLFVSYAJJ-YWPUVAFDSA-N 1 3 278.362 3.228 10 0 CGAEHO CCNC[C@@H](c1ccccc1)[N@H+](CC1CC1)C(C)C ZINC000052345876 519949864 /nfs/dbraw/zinc/94/98/64/519949864.db2.gz RTUFRHRIZOOSPM-KRWDZBQOSA-N 1 3 260.425 3.458 10 0 CGAEHO CCNC[C@@H](c1ccccc1)[N@@H+](CC1CC1)C(C)C ZINC000052345876 519949874 /nfs/dbraw/zinc/94/98/74/519949874.db2.gz RTUFRHRIZOOSPM-KRWDZBQOSA-N 1 3 260.425 3.458 10 0 CGAEHO CC(C)[C@@H]1CC[C@@H](N)[C@H](C[N@H+](C)CC(C)(C)C)C1 ZINC000054560407 519803400 /nfs/dbraw/zinc/80/34/00/519803400.db2.gz DFWLMMOZZJVBOR-QLFBSQMISA-N 1 3 254.462 3.364 10 0 CGAEHO CC(C)[C@@H]1CC[C@@H](N)[C@H](C[N@@H+](C)CC(C)(C)C)C1 ZINC000054560407 519803401 /nfs/dbraw/zinc/80/34/01/519803401.db2.gz DFWLMMOZZJVBOR-QLFBSQMISA-N 1 3 254.462 3.364 10 0 CGAEHO CCC[NH2+]CCC[C@@H](C)N(Cc1ccco1)C1CC1 ZINC000052370888 519913553 /nfs/dbraw/zinc/91/35/53/519913553.db2.gz FPHZBCQPESHYAA-CQSZACIVSA-N 1 3 264.413 3.412 10 0 CGAEHO CCC(CC)N(CCOC)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052573314 521559122 /nfs/dbraw/zinc/55/91/22/521559122.db2.gz LOELBONIUAONJI-AWEZNQCLSA-N 1 3 272.477 3.148 10 0 CGAEHO Cc1oc(CN(C)C(C)C)cc1C[NH2+]C(C)(C)C ZINC000052419549 526769255 /nfs/dbraw/zinc/76/92/55/526769255.db2.gz ACAZNOXRSNMQSM-UHFFFAOYSA-N 1 3 252.402 3.316 10 0 CGAEHO [NH3+]CCCNc1c2ccccc2nc2c1CCCCCC2 ZINC000584904554 346723889 /nfs/dbraw/zinc/72/38/89/346723889.db2.gz JEDYSIDWIBEDQU-UHFFFAOYSA-N 1 3 283.419 3.076 10 0 CGAEHO c1ccc(CC[NH2+]C[C@@H]2CC[C@H]3CCCC[C@H]3N2)cc1 ZINC000584630060 346698591 /nfs/dbraw/zinc/69/85/91/346698591.db2.gz GPMCGRRNZWNYIZ-FGTMMUONSA-N 1 3 272.436 3.130 10 0 CGAEHO CCc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000301765163 201183337 /nfs/dbraw/zinc/18/33/37/201183337.db2.gz BDNDXPLEQXBBMY-SCLBCKFNSA-N 1 3 283.419 3.184 10 0 CGAEHO CN1CCC[C@H]2C[N@H+](Cc3cccc4[nH]ccc43)CC[C@H]21 ZINC000245738562 376894274 /nfs/dbraw/zinc/89/42/74/376894274.db2.gz FXSNIVCKDZMDQW-MAUKXSAKSA-N 1 3 283.419 3.084 10 0 CGAEHO CN1CCC[C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CC[C@H]21 ZINC000245738562 376894282 /nfs/dbraw/zinc/89/42/82/376894282.db2.gz FXSNIVCKDZMDQW-MAUKXSAKSA-N 1 3 283.419 3.084 10 0 CGAEHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc4[nH]ccc43)CC[C@H]21 ZINC000245738562 376894287 /nfs/dbraw/zinc/89/42/87/376894287.db2.gz FXSNIVCKDZMDQW-MAUKXSAKSA-N 1 3 283.419 3.084 10 0 CGAEHO C[N@H+]1CCC[C@H]2CN(Cc3cccc4[nH]ccc43)CC[C@H]21 ZINC000245738562 376894298 /nfs/dbraw/zinc/89/42/98/376894298.db2.gz FXSNIVCKDZMDQW-MAUKXSAKSA-N 1 3 283.419 3.084 10 0 CGAEHO c1cc(CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC000374603699 379466509 /nfs/dbraw/zinc/46/65/09/379466509.db2.gz LEMLFVYHFBSPEG-OTWHNJEPSA-N 1 3 295.430 3.015 10 0 CGAEHO c1cc(CN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC000374603699 379466518 /nfs/dbraw/zinc/46/65/18/379466518.db2.gz LEMLFVYHFBSPEG-OTWHNJEPSA-N 1 3 295.430 3.015 10 0 CGAEHO c1cc(C[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c[nH]1 ZINC000374603699 379466526 /nfs/dbraw/zinc/46/65/26/379466526.db2.gz LEMLFVYHFBSPEG-OTWHNJEPSA-N 1 3 295.430 3.015 10 0 CGAEHO C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400751350 379953433 /nfs/dbraw/zinc/95/34/33/379953433.db2.gz VSVKVYLNHVMGQH-BPUTZDHNSA-N 1 3 260.425 3.361 10 0 CGAEHO FC1(F)CCCC[C@@H]1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000394678791 397695984 /nfs/dbraw/zinc/69/59/84/397695984.db2.gz XJFZQJZLXJXSCW-RRFJBIMHSA-N 1 3 286.410 3.276 10 0 CGAEHO CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)C1 ZINC000080459469 287065739 /nfs/dbraw/zinc/06/57/39/287065739.db2.gz KUHSVLCJIUZNTL-OAGGEKHMSA-N 1 3 252.446 3.277 10 0 CGAEHO Cc1ccc(OCCCN2CCCC[C@@H]2CC[NH3+])cc1C ZINC000070149711 165057843 /nfs/dbraw/zinc/05/78/43/165057843.db2.gz FJIUXAUFUJPMIH-QGZVFWFLSA-N 1 3 290.451 3.276 10 0 CGAEHO Cc1ccsc1[C@@H](C[NH3+])N(C)C1CCCCC1 ZINC000022221903 171378212 /nfs/dbraw/zinc/37/82/12/171378212.db2.gz GZEIKSRPTHTDRX-CYBMUJFWSA-N 1 3 252.427 3.321 10 0 CGAEHO Cc1cc([C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cs1 ZINC000381349549 336059990 /nfs/dbraw/zinc/05/99/90/336059990.db2.gz HPBJOIXIEMDRAW-SCDSUCTJSA-N 1 3 252.427 3.034 10 0 CGAEHO Cc1cc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cs1 ZINC000381349549 336059991 /nfs/dbraw/zinc/05/99/91/336059991.db2.gz HPBJOIXIEMDRAW-SCDSUCTJSA-N 1 3 252.427 3.034 10 0 CGAEHO Cc1cc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cs1 ZINC000381349549 336059993 /nfs/dbraw/zinc/05/99/93/336059993.db2.gz HPBJOIXIEMDRAW-SCDSUCTJSA-N 1 3 252.427 3.034 10 0 CGAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CCN1 ZINC000423367267 533961240 /nfs/dbraw/zinc/96/12/40/533961240.db2.gz DIOFBSAZNTWZIS-KBUPBQIOSA-N 1 3 252.446 3.321 10 0 CGAEHO CC(C)[C@@H]1CC[C@H](N)[C@H](C[N@H+](C)CC(C)(C)C)C1 ZINC000054560405 519803331 /nfs/dbraw/zinc/80/33/31/519803331.db2.gz DFWLMMOZZJVBOR-ILXRZTDVSA-N 1 3 254.462 3.364 10 0 CGAEHO CC(C)[C@@H]1CC[C@H](N)[C@H](C[N@@H+](C)CC(C)(C)C)C1 ZINC000054560405 519803332 /nfs/dbraw/zinc/80/33/32/519803332.db2.gz DFWLMMOZZJVBOR-ILXRZTDVSA-N 1 3 254.462 3.364 10 0 CGAEHO CCC[NH2+]Cc1cc(CN2CCC(C)CC2)oc1C ZINC000052376948 519945670 /nfs/dbraw/zinc/94/56/70/519945670.db2.gz RUEKMAQADHSFFT-UHFFFAOYSA-N 1 3 264.413 3.320 10 0 CGAEHO CCC[NH2+]Cc1coc(CN(C)CCC(C)C)c1 ZINC000052545900 519964406 /nfs/dbraw/zinc/96/44/06/519964406.db2.gz UHMGSAJJDAUUAF-UHFFFAOYSA-N 1 3 252.402 3.257 10 0 CGAEHO CC[N@H+](CC(C)C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000054559707 520412470 /nfs/dbraw/zinc/41/24/70/520412470.db2.gz LPNKUJRSEANHJY-PMPSAXMXSA-N 1 3 254.462 3.364 10 0 CGAEHO CC[N@@H+](CC(C)C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000054559707 520412477 /nfs/dbraw/zinc/41/24/77/520412477.db2.gz LPNKUJRSEANHJY-PMPSAXMXSA-N 1 3 254.462 3.364 10 0 CGAEHO CCCCN(C)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052417931 520420489 /nfs/dbraw/zinc/42/04/89/520420489.db2.gz GMONLRRXCQJOBQ-UHFFFAOYSA-N 1 3 252.402 3.318 10 0 CGAEHO CNCc1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)o1 ZINC000052517527 522118507 /nfs/dbraw/zinc/11/85/07/522118507.db2.gz HBRDBMHNLTZXHJ-INIZCTEOSA-N 1 3 262.397 3.154 10 0 CGAEHO CNCc1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)o1 ZINC000052517527 522118518 /nfs/dbraw/zinc/11/85/18/522118518.db2.gz HBRDBMHNLTZXHJ-INIZCTEOSA-N 1 3 262.397 3.154 10 0 CGAEHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@@H]1CC2CCC1CC2 ZINC000517239801 296149464 /nfs/dbraw/zinc/14/94/64/296149464.db2.gz UFIXAZINUBCTES-NYCFMAHJSA-N 1 3 264.457 3.179 10 0 CGAEHO Cc1ccc(C)c(OCCCN2CCCC[C@H]2CC[NH3+])c1 ZINC000070149515 165057990 /nfs/dbraw/zinc/05/79/90/165057990.db2.gz DVSBTADGPJYVGS-KRWDZBQOSA-N 1 3 290.451 3.276 10 0 CGAEHO CCNCc1oc(C[NH+]2CCCCCC2)cc1C ZINC000052382150 520027072 /nfs/dbraw/zinc/02/70/72/520027072.db2.gz VDJCNYYTWAFNMD-UHFFFAOYSA-N 1 3 250.386 3.074 10 0 CGAEHO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1CN(C)C(C)C ZINC000054559593 520120304 /nfs/dbraw/zinc/12/03/04/520120304.db2.gz NVWQNZDDSHHRPH-BZUAXINKSA-N 1 3 254.462 3.377 10 0 CGAEHO CCN(CC)Cc1cc(C[NH2+]C(C)(C)C)oc1C ZINC000052378406 520744442 /nfs/dbraw/zinc/74/44/42/520744442.db2.gz NOBPGMLTGKMJCF-UHFFFAOYSA-N 1 3 252.402 3.318 10 0 CGAEHO CCN(CCC[C@@H]1CCCC[NH2+]1)Cc1ccco1 ZINC000050953159 521039583 /nfs/dbraw/zinc/03/95/83/521039583.db2.gz LUVIQKBRHRBAME-AWEZNQCLSA-N 1 3 250.386 3.024 10 0 CGAEHO CNCc1ccoc1C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052513508 522140545 /nfs/dbraw/zinc/14/05/45/522140545.db2.gz LVWINVBKWOVUMM-TZMCWYRMSA-N 1 3 250.386 3.010 10 0 CGAEHO CNCc1ccoc1C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052513508 522140551 /nfs/dbraw/zinc/14/05/51/522140551.db2.gz LVWINVBKWOVUMM-TZMCWYRMSA-N 1 3 250.386 3.010 10 0 CGAEHO C[C@H]1c2ccsc2CCN1CCCC[NH2+]C1CC1 ZINC000052505230 525131851 /nfs/dbraw/zinc/13/18/51/525131851.db2.gz WNXRKKGPNSKDLR-LBPRGKRZSA-N 1 3 264.438 3.199 10 0 CGAEHO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000049159577 525935644 /nfs/dbraw/zinc/93/56/44/525935644.db2.gz GWBIJFCUXKJZQQ-MELADBBJSA-N 1 3 266.454 3.437 10 0 CGAEHO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000049159577 525935651 /nfs/dbraw/zinc/93/56/51/525935651.db2.gz GWBIJFCUXKJZQQ-MELADBBJSA-N 1 3 266.454 3.437 10 0 CGAEHO Cc1oc(CNC(C)(C)C)cc1C[N@H+]1CCC[C@@H]1C ZINC000052376125 526775098 /nfs/dbraw/zinc/77/50/98/526775098.db2.gz YLGYDUXBGVMAQC-LBPRGKRZSA-N 1 3 264.413 3.460 10 0 CGAEHO Cc1oc(CNC(C)(C)C)cc1C[N@@H+]1CCC[C@@H]1C ZINC000052376125 526775100 /nfs/dbraw/zinc/77/51/00/526775100.db2.gz YLGYDUXBGVMAQC-LBPRGKRZSA-N 1 3 264.413 3.460 10 0 CGAEHO CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000629531488 350704018 /nfs/dbraw/zinc/70/40/18/350704018.db2.gz MWVJYJOZPRZIAW-RYUDHWBXSA-N 1 3 262.388 3.036 10 0 CGAEHO Cc1c([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cnn1C(C)(C)C ZINC000191103363 375577994 /nfs/dbraw/zinc/57/79/94/375577994.db2.gz RHICZPMJWAOMIV-CYBMUJFWSA-N 1 3 294.487 3.185 10 0 CGAEHO c1csc([C@H]2CCC[N@H+]2CCCN2CCCC2)c1 ZINC000193458665 375881025 /nfs/dbraw/zinc/88/10/25/375881025.db2.gz OJQIBTFYHXXGTQ-CQSZACIVSA-N 1 3 264.438 3.371 10 0 CGAEHO c1csc([C@H]2CCC[N@@H+]2CCCN2CCCC2)c1 ZINC000193458665 375881032 /nfs/dbraw/zinc/88/10/32/375881032.db2.gz OJQIBTFYHXXGTQ-CQSZACIVSA-N 1 3 264.438 3.371 10 0 CGAEHO Cc1csc([C@@H]2CCC[N@@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245599509 376865447 /nfs/dbraw/zinc/86/54/47/376865447.db2.gz ILLTVRZIVUHDJX-HUUCEWRRSA-N 1 3 293.480 3.115 10 0 CGAEHO Cc1csc([C@@H]2CCC[N@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245599509 376865453 /nfs/dbraw/zinc/86/54/53/376865453.db2.gz ILLTVRZIVUHDJX-HUUCEWRRSA-N 1 3 293.480 3.115 10 0 CGAEHO [NH3+]CC[C@H]1CCCCN1C[C@@H]1CCCC(F)(F)C1 ZINC000261551935 295239852 /nfs/dbraw/zinc/23/98/52/295239852.db2.gz BOKYPYLSGRBPPW-CHWSQXEVSA-N 1 3 260.372 3.015 10 0 CGAEHO C[C@@H](NCc1cccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000582354457 378306052 /nfs/dbraw/zinc/30/60/52/378306052.db2.gz MFJZSUGTCKEUGV-GDBMZVCRSA-N 1 3 268.404 3.318 10 0 CGAEHO C[C@@H]([NH2+]Cc1cccc2ccccc21)[C@@H]1CCCNC1 ZINC000582354457 378306055 /nfs/dbraw/zinc/30/60/55/378306055.db2.gz MFJZSUGTCKEUGV-GDBMZVCRSA-N 1 3 268.404 3.318 10 0 CGAEHO C[C@H]1CCCN(C[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)C1 ZINC000021501630 171305967 /nfs/dbraw/zinc/30/59/67/171305967.db2.gz RECBTJSNEOPBPS-QCAJKXFRSA-N 1 3 276.468 3.262 10 0 CGAEHO Cc1cc(C)c(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)c(C)c1 ZINC000040749267 174393955 /nfs/dbraw/zinc/39/39/55/174393955.db2.gz GAHQVZQLHBIMPY-MQVJKMGUSA-N 1 3 258.409 3.066 10 0 CGAEHO Cc1cc(C)c(C[N@H+]2[C@@H]3CC[C@H]2CC(N)C3)c(C)c1 ZINC000040749267 174393956 /nfs/dbraw/zinc/39/39/56/174393956.db2.gz GAHQVZQLHBIMPY-MQVJKMGUSA-N 1 3 258.409 3.066 10 0 CGAEHO Cc1cc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2CC(N)C3)c(C)c1 ZINC000040749267 174393957 /nfs/dbraw/zinc/39/39/57/174393957.db2.gz GAHQVZQLHBIMPY-MQVJKMGUSA-N 1 3 258.409 3.066 10 0 CGAEHO CCN(Cc1ccc(C(F)(F)F)cc1)C[C@H](C)C[NH3+] ZINC000043511973 175060613 /nfs/dbraw/zinc/06/06/13/175060613.db2.gz QQBWNOUGIVGQPG-LLVKDONJSA-N 1 3 274.330 3.122 10 0 CGAEHO C[C@@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCNC1 ZINC000665239268 419089088 /nfs/dbraw/zinc/08/90/88/419089088.db2.gz PSBNSZZDHISCCT-LEOABGAYSA-N 1 3 252.446 3.036 10 0 CGAEHO Cc1nc2ccccc2c(N2CCC3(CC[NH2+]3)CC2)c1C ZINC000335018929 282073112 /nfs/dbraw/zinc/07/31/12/282073112.db2.gz XEQSKEUJDNADHC-UHFFFAOYSA-N 1 3 281.403 3.184 10 0 CGAEHO NCC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261551935 295239850 /nfs/dbraw/zinc/23/98/50/295239850.db2.gz BOKYPYLSGRBPPW-CHWSQXEVSA-N 1 3 260.372 3.015 10 0 CGAEHO NCC[C@H]1CCCC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261551935 295239851 /nfs/dbraw/zinc/23/98/51/295239851.db2.gz BOKYPYLSGRBPPW-CHWSQXEVSA-N 1 3 260.372 3.015 10 0 CGAEHO CCOc1ccccc1[C@H](C)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000383656094 336116213 /nfs/dbraw/zinc/11/62/13/336116213.db2.gz PFMAACXDQCOZNJ-JKIFEVAISA-N 1 3 276.424 3.063 10 0 CGAEHO CCC[NH2+]Cc1cc(CN2CCCCC2)oc1C ZINC000052421193 519945149 /nfs/dbraw/zinc/94/51/49/519945149.db2.gz HAWNRHRNPPZDLC-UHFFFAOYSA-N 1 3 250.386 3.074 10 0 CGAEHO CNCc1occc1C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000052513662 522164124 /nfs/dbraw/zinc/16/41/24/522164124.db2.gz DYSLCRFFXWHOBR-OCCSQVGLSA-N 1 3 250.386 3.010 10 0 CGAEHO CNCc1occc1C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000052513662 522164132 /nfs/dbraw/zinc/16/41/32/522164132.db2.gz DYSLCRFFXWHOBR-OCCSQVGLSA-N 1 3 250.386 3.010 10 0 CGAEHO CC[C@H](C)C[N@H+](C)Cc1ccoc1CNC1CC1 ZINC000052454070 523868448 /nfs/dbraw/zinc/86/84/48/523868448.db2.gz RCBJTSRKOFSUJR-LBPRGKRZSA-N 1 3 250.386 3.010 10 0 CGAEHO CC[C@H](C)C[N@@H+](C)Cc1ccoc1CNC1CC1 ZINC000052454070 523868458 /nfs/dbraw/zinc/86/84/58/523868458.db2.gz RCBJTSRKOFSUJR-LBPRGKRZSA-N 1 3 250.386 3.010 10 0 CGAEHO CC(C)[NH2+]Cc1sc(CCN(C)C)nc1C(C)(C)C ZINC000082440817 178019621 /nfs/dbraw/zinc/01/96/21/178019621.db2.gz CFCDQHUVVQPYBX-UHFFFAOYSA-N 1 3 283.485 3.043 10 0 CGAEHO CCC[NH2+]Cc1sc(CCN(C)C)nc1C(C)(C)C ZINC000082440818 178019657 /nfs/dbraw/zinc/01/96/57/178019657.db2.gz RVTITINLOQCKBY-UHFFFAOYSA-N 1 3 283.485 3.044 10 0 CGAEHO CCc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000178522100 529535063 /nfs/dbraw/zinc/53/50/63/529535063.db2.gz IDLCVYVQESGTNE-OAHLLOKOSA-N 1 3 281.403 3.082 10 0 CGAEHO CCc1cc(N2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000178522100 529535064 /nfs/dbraw/zinc/53/50/64/529535064.db2.gz IDLCVYVQESGTNE-OAHLLOKOSA-N 1 3 281.403 3.082 10 0 CGAEHO C(CN1CCC2(C1)CCCCC2)C[NH+]1CCCC1 ZINC000119097911 138366781 /nfs/dbraw/zinc/36/67/81/138366781.db2.gz ZVFGUGQZHIQJBE-UHFFFAOYSA-N 1 3 250.430 3.129 10 0 CGAEHO Cc1ccc(CN(CC(C)C)C2CC[NH2+]CC2)cc1 ZINC000036093153 369007456 /nfs/dbraw/zinc/00/74/56/369007456.db2.gz GBWQTSFXTHVNTA-UHFFFAOYSA-N 1 3 260.425 3.205 10 0 in-vivo CGAEHO CCOc1ccc([C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000394273215 379918553 /nfs/dbraw/zinc/91/85/53/379918553.db2.gz YOCGYYZQZOJUBR-JKIFEVAISA-N 1 3 276.424 3.063 10 0 CGAEHO CCOc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000394273215 379918558 /nfs/dbraw/zinc/91/85/58/379918558.db2.gz YOCGYYZQZOJUBR-JKIFEVAISA-N 1 3 276.424 3.063 10 0 CGAEHO CCOc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000394273215 379918561 /nfs/dbraw/zinc/91/85/61/379918561.db2.gz YOCGYYZQZOJUBR-JKIFEVAISA-N 1 3 276.424 3.063 10 0 CGAEHO CCN(CC)CCC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000085132636 287081560 /nfs/dbraw/zinc/08/15/60/287081560.db2.gz YRMUGRLUTZCQCE-QWHCGFSZSA-N 1 3 280.378 3.429 10 0 CGAEHO CC1CCN(CC[C@H]([NH3+])c2ccc(Cl)cc2)CC1 ZINC000020273992 171130650 /nfs/dbraw/zinc/13/06/50/171130650.db2.gz YYKKVGALUTUKHW-HNNXBMFYSA-N 1 3 266.816 3.462 10 0 CGAEHO Cc1cc(C)cc(C[N@H+](CCCN)C2CCCC2)c1 ZINC000038076706 174087683 /nfs/dbraw/zinc/08/76/83/174087683.db2.gz LQFRKSDZANCYRV-UHFFFAOYSA-N 1 3 260.425 3.397 10 0 CGAEHO Cc1cc(C)cc(C[N@@H+](CCCN)C2CCCC2)c1 ZINC000038076706 174087684 /nfs/dbraw/zinc/08/76/84/174087684.db2.gz LQFRKSDZANCYRV-UHFFFAOYSA-N 1 3 260.425 3.397 10 0 CGAEHO Cc1cc(C)cc(CN(CCC[NH3+])C2CCCC2)c1 ZINC000038076706 174087685 /nfs/dbraw/zinc/08/76/85/174087685.db2.gz LQFRKSDZANCYRV-UHFFFAOYSA-N 1 3 260.425 3.397 10 0 CGAEHO Cc1ccc2nccc(N3CCC4(CC[NH2+]C4)CC3)c2c1 ZINC000334988956 281169134 /nfs/dbraw/zinc/16/91/34/281169134.db2.gz DDTGIEMZNZSWJB-UHFFFAOYSA-N 1 3 281.403 3.123 10 0 CGAEHO C[C@@H]1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCCN1C ZINC000052206109 524158263 /nfs/dbraw/zinc/15/82/63/524158263.db2.gz UCZWZECWKLGNKD-PMPSAXMXSA-N 1 3 252.446 3.277 10 0 CGAEHO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1occc1CNC1CC1 ZINC000052373275 525642988 /nfs/dbraw/zinc/64/29/88/525642988.db2.gz JZQUWBDMZHWLOQ-QWHCGFSZSA-N 1 3 262.397 3.152 10 0 CGAEHO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1occc1CNC1CC1 ZINC000052373275 525643000 /nfs/dbraw/zinc/64/30/00/525643000.db2.gz JZQUWBDMZHWLOQ-QWHCGFSZSA-N 1 3 262.397 3.152 10 0 CGAEHO Cc1oc(C[NH2+]CC(C)C)cc1CN1CC[C@H](C)C1 ZINC000052484675 526775463 /nfs/dbraw/zinc/77/54/63/526775463.db2.gz ROUNYMAQSFZLII-ZDUSSCGKSA-N 1 3 264.413 3.175 10 0 CGAEHO C[C@H]1CCCCN1CCC[NH2+]CCc1ccccc1 ZINC000019912942 634375811 /nfs/dbraw/zinc/37/58/11/634375811.db2.gz VVKQMQIPRPTNMU-INIZCTEOSA-N 1 3 260.425 3.083 10 0 CGAEHO CC[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccc(Cl)cc21 ZINC000082509373 178076391 /nfs/dbraw/zinc/07/63/91/178076391.db2.gz IZQICDRUKGSOKT-CQSZACIVSA-N 1 3 294.826 3.238 10 0 CGAEHO N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C1CCCCC1 ZINC000409432293 346605839 /nfs/dbraw/zinc/60/58/39/346605839.db2.gz NHGYCJUMFOKBQE-IAGOWNOFSA-N 1 3 258.409 3.026 10 0 CGAEHO N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C1CCCCC1 ZINC000409432293 346605843 /nfs/dbraw/zinc/60/58/43/346605843.db2.gz NHGYCJUMFOKBQE-IAGOWNOFSA-N 1 3 258.409 3.026 10 0 CGAEHO CC[N@H+](C)C[C@@H]1CCN(c2ccnc3c(C)cccc23)C1 ZINC000301697409 201143675 /nfs/dbraw/zinc/14/36/75/201143675.db2.gz ZRCMAFGMPMBFTL-HNNXBMFYSA-N 1 3 283.419 3.321 10 0 CGAEHO CC[N@@H+](C)C[C@@H]1CCN(c2ccnc3c(C)cccc23)C1 ZINC000301697409 201143678 /nfs/dbraw/zinc/14/36/78/201143678.db2.gz ZRCMAFGMPMBFTL-HNNXBMFYSA-N 1 3 283.419 3.321 10 0 CGAEHO C[C@@H]1[C@@H](C)CCC[C@@H]1N(CCC[NH3+])Cc1ccco1 ZINC000032919845 368952538 /nfs/dbraw/zinc/95/25/38/368952538.db2.gz ZSXDGBYADISEHJ-LZWOXQAQSA-N 1 3 264.413 3.255 10 0 CGAEHO [NH3+]Cc1ccccc1NC1CCN(Cc2ccccc2)CC1 ZINC000039381938 369150364 /nfs/dbraw/zinc/15/03/64/369150364.db2.gz UUJYNYPLIGRUQA-UHFFFAOYSA-N 1 3 295.430 3.222 10 0 CGAEHO CCN1CC[C@H](C[NH2+][C@H]2CCCOc3cc(C)ccc32)C1 ZINC000247186491 377174088 /nfs/dbraw/zinc/17/40/88/377174088.db2.gz VNCWDFLDILZKSW-WBVHZDCISA-N 1 3 288.435 3.140 10 0 CGAEHO CN1CC=C(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000392232902 379911379 /nfs/dbraw/zinc/91/13/79/379911379.db2.gz SYUKHLUSVMEKBJ-HOTGVXAUSA-N 1 3 264.457 3.443 10 0 CGAEHO CN(Cc1ccccc1C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000231463441 542304416 /nfs/dbraw/zinc/30/44/16/542304416.db2.gz LYPYNDLGGXOTAD-MRXNPFEDSA-N 1 3 258.409 3.138 10 0 CGAEHO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1C ZINC000678744200 543552249 /nfs/dbraw/zinc/55/22/49/543552249.db2.gz ZXLJLCHBGCPTSJ-NVXWUHKLSA-N 1 3 260.425 3.438 10 0 CGAEHO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1CN(C)C ZINC000020128574 171015550 /nfs/dbraw/zinc/01/55/50/171015550.db2.gz CZLGLUVEMVJZJP-RHSMWYFYSA-N 1 3 260.425 3.417 10 0 CGAEHO C[N@@H+]1CC[C@@H](CNCc2cc(-c3ccccc3)cs2)C1 ZINC000038030850 174023595 /nfs/dbraw/zinc/02/35/95/174023595.db2.gz PWFQXBVVWKJZCI-AWEZNQCLSA-N 1 3 286.444 3.456 10 0 CGAEHO C[N@H+]1CC[C@@H](CNCc2cc(-c3ccccc3)cs2)C1 ZINC000038030850 174023597 /nfs/dbraw/zinc/02/35/97/174023597.db2.gz PWFQXBVVWKJZCI-AWEZNQCLSA-N 1 3 286.444 3.456 10 0 CGAEHO CC(C)[NH2+]Cc1ccc(CN2CCCCC2)s1 ZINC000045206496 175328175 /nfs/dbraw/zinc/32/81/75/175328175.db2.gz KACMKJAGQRCANC-UHFFFAOYSA-N 1 3 252.427 3.232 10 0 CGAEHO CC(C)[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000400485576 280334244 /nfs/dbraw/zinc/33/42/44/280334244.db2.gz XJAZPHQVWRSSTR-XPKDYRNWSA-N 1 3 264.388 3.110 10 0 CGAEHO CCC[NH2+]Cc1cc(CN2CCCC[C@H]2C)oc1C ZINC000052378671 519946098 /nfs/dbraw/zinc/94/60/98/519946098.db2.gz XMXFKVGXPNAJDX-CYBMUJFWSA-N 1 3 264.413 3.462 10 0 CGAEHO CCC(CC)[N@H+](C)Cc1ccoc1CNC1CC1 ZINC000052478082 521543649 /nfs/dbraw/zinc/54/36/49/521543649.db2.gz KLWKUHDYVYKDSD-UHFFFAOYSA-N 1 3 250.386 3.152 10 0 CGAEHO CCC(CC)[N@@H+](C)Cc1ccoc1CNC1CC1 ZINC000052478082 521543655 /nfs/dbraw/zinc/54/36/55/521543655.db2.gz KLWKUHDYVYKDSD-UHFFFAOYSA-N 1 3 250.386 3.152 10 0 CGAEHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328754 519688345 /nfs/dbraw/zinc/68/83/45/519688345.db2.gz DEQSENIXUYHQAM-UKRRQHHQSA-N 1 3 278.465 3.445 10 0 CGAEHO CCCCN(C)Cc1ccc(C[NH2+]CC(C)C)o1 ZINC000052417941 520420740 /nfs/dbraw/zinc/42/07/40/520420740.db2.gz OCFJROKFNBHPMC-UHFFFAOYSA-N 1 3 252.402 3.257 10 0 CGAEHO CC1CC[NH+](Cc2ccccc2CNC2CC2)CC1 ZINC000052377194 521026276 /nfs/dbraw/zinc/02/62/76/521026276.db2.gz OFPAGKCYTXJMFG-UHFFFAOYSA-N 1 3 258.409 3.171 10 0 CGAEHO CC[C@H]1CCCC[N@@H+]1Cc1cc(CNC)c(C)o1 ZINC000052447421 523029645 /nfs/dbraw/zinc/02/96/45/523029645.db2.gz MBZXKPCHILJFGN-AWEZNQCLSA-N 1 3 250.386 3.072 10 0 CGAEHO CC[C@H]1CCCC[N@H+]1Cc1cc(CNC)c(C)o1 ZINC000052447421 523029649 /nfs/dbraw/zinc/02/96/49/523029649.db2.gz MBZXKPCHILJFGN-AWEZNQCLSA-N 1 3 250.386 3.072 10 0 CGAEHO Cc1oc(CN2CCCCC2)cc1C[NH2+]CC(C)C ZINC000052421197 526771706 /nfs/dbraw/zinc/77/17/06/526771706.db2.gz WHNJCDQAKHUCAR-UHFFFAOYSA-N 1 3 264.413 3.320 10 0 CGAEHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000423373704 527809640 /nfs/dbraw/zinc/80/96/40/527809640.db2.gz JJMJCIYFMNVXAX-LYYZXLFJSA-N 1 3 252.446 3.177 10 0 CGAEHO CC[C@H](c1ccc(Cl)cc1)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839651 351150359 /nfs/dbraw/zinc/15/03/59/351150359.db2.gz JCCRRGRJPQWTKJ-NJZAAPMLSA-N 1 3 266.816 3.318 10 0 CGAEHO Cc1nc2ccccc2c(N2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000181891174 374187242 /nfs/dbraw/zinc/18/72/42/374187242.db2.gz HADKLSGTKQHPLQ-OAHLLOKOSA-N 1 3 281.403 3.136 10 0 CGAEHO Cc1nc2ccccc2c(N2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000181891174 374187246 /nfs/dbraw/zinc/18/72/46/374187246.db2.gz HADKLSGTKQHPLQ-OAHLLOKOSA-N 1 3 281.403 3.136 10 0 CGAEHO C[NH+](C)CCCN1CCC2(C1)CC[Si](C)(C)CC2 ZINC000195286633 376094633 /nfs/dbraw/zinc/09/46/33/376094633.db2.gz MQYGEGPEKLWUME-UHFFFAOYSA-N 1 3 268.521 3.132 10 0 CGAEHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000392197931 542612665 /nfs/dbraw/zinc/61/26/65/542612665.db2.gz VMKPUJFSTSQGFJ-HYVNUMGLSA-N 1 3 264.457 3.299 10 0 CGAEHO C[C@H](N)[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381564172 392911703 /nfs/dbraw/zinc/91/17/03/392911703.db2.gz IMMLKCBGFYYATA-RWMBFGLXSA-N 1 3 260.372 3.014 10 0 CGAEHO C[C@H](N)[C@H]1CCCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381564172 392911708 /nfs/dbraw/zinc/91/17/08/392911708.db2.gz IMMLKCBGFYYATA-RWMBFGLXSA-N 1 3 260.372 3.014 10 0 CGAEHO CC[NH+](CC)CCOc1c(Cl)cc(Cl)cc1CN ZINC000035661825 172339812 /nfs/dbraw/zinc/33/98/12/172339812.db2.gz WYRUTJLSFQIZGA-UHFFFAOYSA-N 1 3 291.222 3.173 10 0 CGAEHO C[C@H](c1ccc(Cl)s1)N1CCC(C[NH3+])CC1 ZINC000044512246 175188140 /nfs/dbraw/zinc/18/81/40/175188140.db2.gz SOTLIRXDOQKYIR-SECBINFHSA-N 1 3 258.818 3.133 10 0 CGAEHO CC[C@H](c1ccc(C)cc1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000312035241 288152620 /nfs/dbraw/zinc/15/26/20/288152620.db2.gz YYKKGLNKSPHEGF-DJIMGWMZSA-N 1 3 260.425 3.363 10 0 CGAEHO CC[C@H](c1ccc(C)cc1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000312035241 288152622 /nfs/dbraw/zinc/15/26/22/288152622.db2.gz YYKKGLNKSPHEGF-DJIMGWMZSA-N 1 3 260.425 3.363 10 0 CGAEHO CC(C)C1CCC(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000054557509 519563220 /nfs/dbraw/zinc/56/32/20/519563220.db2.gz RQQZTBSDGYHADH-HXGYVLDSSA-N 1 3 264.457 3.416 10 0 CGAEHO CCC[NH2+]Cc1oc2ccccc2c1CN(C)CC ZINC000052446020 519973077 /nfs/dbraw/zinc/97/30/77/519973077.db2.gz DRHBKCJOWFMAFT-UHFFFAOYSA-N 1 3 260.381 3.384 10 0 CGAEHO CC(C)[NH2+]Cc1ccoc1CN1CCC[C@H](C)C1 ZINC000052381227 519727767 /nfs/dbraw/zinc/72/77/67/519727767.db2.gz LYRIDEOTCFYALH-ZDUSSCGKSA-N 1 3 250.386 3.010 10 0 CGAEHO CC(C)C[NH2+]Cc1ccc(CN2CCCCC2)o1 ZINC000052421203 519747100 /nfs/dbraw/zinc/74/71/00/519747100.db2.gz MTWYPCQMJGEGJI-UHFFFAOYSA-N 1 3 250.386 3.011 10 0 CGAEHO CC(C)[C@@H](N[C@@H](C)CC[NH+](C)C)c1cccs1 ZINC000049554145 519799690 /nfs/dbraw/zinc/79/96/90/519799690.db2.gz OFIROSGVRQXBGK-GXTWGEPZSA-N 1 3 254.443 3.375 10 0 CGAEHO CCNCc1cc(C[N@H+](C)C[C@H](C)CC)c(C)o1 ZINC000052454390 519986594 /nfs/dbraw/zinc/98/65/94/519986594.db2.gz AZUGPTQYTOIURC-GFCCVEGCSA-N 1 3 252.402 3.175 10 0 CGAEHO CCNCc1cc(C[N@@H+](C)C[C@H](C)CC)c(C)o1 ZINC000052454390 519986600 /nfs/dbraw/zinc/98/66/00/519986600.db2.gz AZUGPTQYTOIURC-GFCCVEGCSA-N 1 3 252.402 3.175 10 0 CGAEHO CCCCC[N@H+](Cc1ccoc1CNC)C(C)C ZINC000052544786 520174485 /nfs/dbraw/zinc/17/44/85/520174485.db2.gz UYQWNZJXDGLAHV-UHFFFAOYSA-N 1 3 252.402 3.400 10 0 CGAEHO CCCCC[N@@H+](Cc1ccoc1CNC)C(C)C ZINC000052544786 520174487 /nfs/dbraw/zinc/17/44/87/520174487.db2.gz UYQWNZJXDGLAHV-UHFFFAOYSA-N 1 3 252.402 3.400 10 0 CGAEHO CCCC[N@H+](Cc1ccoc1CNC)[C@H](C)CC ZINC000052372676 520550377 /nfs/dbraw/zinc/55/03/77/520550377.db2.gz LRDXQZJQEDONFZ-CYBMUJFWSA-N 1 3 252.402 3.400 10 0 CGAEHO CCCC[N@@H+](Cc1ccoc1CNC)[C@H](C)CC ZINC000052372676 520550379 /nfs/dbraw/zinc/55/03/79/520550379.db2.gz LRDXQZJQEDONFZ-CYBMUJFWSA-N 1 3 252.402 3.400 10 0 CGAEHO CCN(C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C)C1CC1 ZINC000054559723 521233139 /nfs/dbraw/zinc/23/31/39/521233139.db2.gz HCVVATLEYAPJQB-YCPHGPKFSA-N 1 3 252.446 3.131 10 0 CGAEHO CCN(Cc1cccs1)Cc1ccccc1C[NH2+]C ZINC000052546441 521407197 /nfs/dbraw/zinc/40/71/97/521407197.db2.gz NWUHQLYSSTYIIL-UHFFFAOYSA-N 1 3 274.433 3.490 10 0 CGAEHO CC[C@@H]1CCCC[N@@H+]1Cc1cc(CNC)oc1C ZINC000052447857 523179241 /nfs/dbraw/zinc/17/92/41/523179241.db2.gz AZPNPAWCTMQPBW-CQSZACIVSA-N 1 3 250.386 3.072 10 0 CGAEHO CC[C@@H]1CCCC[N@H+]1Cc1cc(CNC)oc1C ZINC000052447857 523179245 /nfs/dbraw/zinc/17/92/45/523179245.db2.gz AZPNPAWCTMQPBW-CQSZACIVSA-N 1 3 250.386 3.072 10 0 CGAEHO Cc1cc(CN(C)C(C)C)oc1C[NH2+]CC(C)C ZINC000052419737 524658611 /nfs/dbraw/zinc/65/86/11/524658611.db2.gz VXJQTPPAEWEVSW-UHFFFAOYSA-N 1 3 252.402 3.174 10 0 CGAEHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000250683447 572530193 /nfs/dbraw/zinc/53/01/93/572530193.db2.gz ZMWHNDIGYJWAKV-RQJABVFESA-N 1 3 290.373 3.324 10 0 CGAEHO FC1(F)CCC[C@@H]1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336187470 375754901 /nfs/dbraw/zinc/75/49/01/375754901.db2.gz BXLGUYFSHMOJRI-CABCVRRESA-N 1 3 286.410 3.372 10 0 CGAEHO C[C@@H]1C[C@@H](CN2CCCC[C@@H]2c2nccs2)CC[NH2+]1 ZINC000414700705 380380462 /nfs/dbraw/zinc/38/04/62/380380462.db2.gz VBDSMVLEOSQMCF-HZSPNIEDSA-N 1 3 279.453 3.058 10 0 CGAEHO CCC[NH+]1CCC(N[C@H](C)COCc2ccccc2)CC1 ZINC000390594644 542610651 /nfs/dbraw/zinc/61/06/51/542610651.db2.gz RYDXFDOJMHAAKN-MRXNPFEDSA-N 1 3 290.451 3.056 10 0 CGAEHO NCC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381724180 392913348 /nfs/dbraw/zinc/91/33/48/392913348.db2.gz RXRUJJMLHXKEHH-OLZOCXBDSA-N 1 3 260.372 3.015 10 0 CGAEHO NCC[C@@H]1CCCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381724180 392913356 /nfs/dbraw/zinc/91/33/56/392913356.db2.gz RXRUJJMLHXKEHH-OLZOCXBDSA-N 1 3 260.372 3.015 10 0 CGAEHO [NH3+]CC[C@@H]1CCCCN1C[C@H]1CCCCC1(F)F ZINC000381724180 392913365 /nfs/dbraw/zinc/91/33/65/392913365.db2.gz RXRUJJMLHXKEHH-OLZOCXBDSA-N 1 3 260.372 3.015 10 0 CGAEHO CC[C@H](c1ccccc1F)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311405440 288166406 /nfs/dbraw/zinc/16/64/06/288166406.db2.gz WDCSTIYHTQAJKM-DAXOMENPSA-N 1 3 264.388 3.194 10 0 CGAEHO CC[C@H](c1ccccc1F)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000311405440 288166412 /nfs/dbraw/zinc/16/64/12/288166412.db2.gz WDCSTIYHTQAJKM-DAXOMENPSA-N 1 3 264.388 3.194 10 0 CGAEHO CC[C@H](c1ccccc1F)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000311405440 288166417 /nfs/dbraw/zinc/16/64/17/288166417.db2.gz WDCSTIYHTQAJKM-DAXOMENPSA-N 1 3 264.388 3.194 10 0 CGAEHO C[C@H]([NH2+]CC(C)(C)C1=CCCC1)[C@@H]1CCCNC1 ZINC000570708814 322280235 /nfs/dbraw/zinc/28/02/35/322280235.db2.gz UEJGPPVIQHAXOL-UONOGXRCSA-N 1 3 250.430 3.101 10 0 CGAEHO C[C@H](Cc1ccc(Cl)cc1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000382524871 336092199 /nfs/dbraw/zinc/09/21/99/336092199.db2.gz UUXQFLBXRVRMGT-XJKCOSOUSA-N 1 3 280.843 3.188 10 0 CGAEHO CCCNCc1occc1C[N@H+](C)[C@H](C)C1CC1 ZINC000052479105 519972496 /nfs/dbraw/zinc/97/24/96/519972496.db2.gz HSCVAYQDBVCIQH-GFCCVEGCSA-N 1 3 250.386 3.010 10 0 CGAEHO CCCNCc1occc1C[N@@H+](C)[C@H](C)C1CC1 ZINC000052479105 519972502 /nfs/dbraw/zinc/97/25/02/519972502.db2.gz HSCVAYQDBVCIQH-GFCCVEGCSA-N 1 3 250.386 3.010 10 0 CGAEHO CCNCc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000052373297 519995594 /nfs/dbraw/zinc/99/55/94/519995594.db2.gz QSICQUSWHXYKJY-OLZOCXBDSA-N 1 3 250.386 3.010 10 0 CGAEHO CCNCc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000052373297 519995603 /nfs/dbraw/zinc/99/56/03/519995603.db2.gz QSICQUSWHXYKJY-OLZOCXBDSA-N 1 3 250.386 3.010 10 0 CGAEHO CC(C)C[NH2+]Cc1occc1CN(C)CC(C)C ZINC000052452867 519748961 /nfs/dbraw/zinc/74/89/61/519748961.db2.gz JFWJTXUCYNKMGE-UHFFFAOYSA-N 1 3 252.402 3.113 10 0 CGAEHO CCCC[N@H+](Cc1ccoc1CNC)[C@@H](C)CC ZINC000052372675 520550451 /nfs/dbraw/zinc/55/04/51/520550451.db2.gz LRDXQZJQEDONFZ-ZDUSSCGKSA-N 1 3 252.402 3.400 10 0 CGAEHO CCCC[N@@H+](Cc1ccoc1CNC)[C@@H](C)CC ZINC000052372675 520550457 /nfs/dbraw/zinc/55/04/57/520550457.db2.gz LRDXQZJQEDONFZ-ZDUSSCGKSA-N 1 3 252.402 3.400 10 0 CGAEHO CCN(CCCC[NH2+]C(C)(C)C)Cc1ccncc1 ZINC000052514833 521005281 /nfs/dbraw/zinc/00/52/81/521005281.db2.gz ITGWZXHLVMFFDA-UHFFFAOYSA-N 1 3 263.429 3.072 10 0 CGAEHO CCCN(C)Cc1cc(C[NH2+]C(C)(C)C)oc1C ZINC000052444596 521502431 /nfs/dbraw/zinc/50/24/31/521502431.db2.gz RALMJFGRHAKIKF-UHFFFAOYSA-N 1 3 252.402 3.318 10 0 CGAEHO CN(CCCC[NH2+]C(C)(C)C)Cc1cccc(F)c1 ZINC000052425204 522734122 /nfs/dbraw/zinc/73/41/22/522734122.db2.gz ZQVVUXQIVYGMEH-UHFFFAOYSA-N 1 3 266.404 3.426 10 0 CGAEHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000049127467 522811548 /nfs/dbraw/zinc/81/15/48/522811548.db2.gz CSBROVAMTVHZGK-MRXNPFEDSA-N 1 3 261.413 3.075 10 0 CGAEHO CC[C@@H]1CCC[N@H+](Cc2occc2CNC(C)C)C1 ZINC000052479681 523252984 /nfs/dbraw/zinc/25/29/84/523252984.db2.gz YWBPISKZAQGWML-CQSZACIVSA-N 1 3 264.413 3.400 10 0 CGAEHO CC[C@@H]1CCC[N@@H+](Cc2occc2CNC(C)C)C1 ZINC000052479681 523252989 /nfs/dbraw/zinc/25/29/89/523252989.db2.gz YWBPISKZAQGWML-CQSZACIVSA-N 1 3 264.413 3.400 10 0 CGAEHO CC[C@@H]1CC[N@H+](CC2(C)CCCC2)CC[C@H](C)N1 ZINC000104442347 186004270 /nfs/dbraw/zinc/00/42/70/186004270.db2.gz SDZQOADDZWCIJO-LSDHHAIUSA-N 1 3 252.446 3.419 10 0 CGAEHO CC[C@@H]1CC[N@@H+](CC2(C)CCCC2)CC[C@H](C)N1 ZINC000104442347 186004272 /nfs/dbraw/zinc/00/42/72/186004272.db2.gz SDZQOADDZWCIJO-LSDHHAIUSA-N 1 3 252.446 3.419 10 0 CGAEHO C[C@H]1[C@H](N(CCC[NH3+])Cc2ccco2)CCC[C@@H]1C ZINC000032919842 368952567 /nfs/dbraw/zinc/95/25/67/368952567.db2.gz ZSXDGBYADISEHJ-SQWLQELKSA-N 1 3 264.413 3.255 10 0 CGAEHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@@H]1CC2CCC1CC2 ZINC000517239803 296149076 /nfs/dbraw/zinc/14/90/76/296149076.db2.gz UFIXAZINUBCTES-UHBNBOLRSA-N 1 3 264.457 3.179 10 0 CGAEHO C[N@@H+]1CCC[C@@H]2CN(Cc3cccc4cccnc43)CC[C@H]21 ZINC000248179534 377275788 /nfs/dbraw/zinc/27/57/88/377275788.db2.gz WDPKRDACPDKNDM-SJLPKXTDSA-N 1 3 295.430 3.151 10 0 CGAEHO C[N@H+]1CCC[C@@H]2CN(Cc3cccc4cccnc43)CC[C@H]21 ZINC000248179534 377275796 /nfs/dbraw/zinc/27/57/96/377275796.db2.gz WDPKRDACPDKNDM-SJLPKXTDSA-N 1 3 295.430 3.151 10 0 CGAEHO CN1CCC[C@@H]2C[N@H+](Cc3cccc4cccnc43)CC[C@H]21 ZINC000248179534 377275804 /nfs/dbraw/zinc/27/58/04/377275804.db2.gz WDPKRDACPDKNDM-SJLPKXTDSA-N 1 3 295.430 3.151 10 0 CGAEHO CN1CCC[C@@H]2C[N@@H+](Cc3cccc4cccnc43)CC[C@H]21 ZINC000248179534 377275812 /nfs/dbraw/zinc/27/58/12/377275812.db2.gz WDPKRDACPDKNDM-SJLPKXTDSA-N 1 3 295.430 3.151 10 0 CGAEHO Cc1cc(N2CCN3CCCC[C@H]3C2)c2ccccc2[nH+]1 ZINC000301233235 392585652 /nfs/dbraw/zinc/58/56/52/392585652.db2.gz KKBZTQWEMVHMIY-HNNXBMFYSA-N 1 3 281.403 3.218 10 0 CGAEHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381564170 392911980 /nfs/dbraw/zinc/91/19/80/392911980.db2.gz IMMLKCBGFYYATA-AVGNSLFASA-N 1 3 260.372 3.014 10 0 CGAEHO C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381564170 392911985 /nfs/dbraw/zinc/91/19/85/392911985.db2.gz IMMLKCBGFYYATA-AVGNSLFASA-N 1 3 260.372 3.014 10 0 CGAEHO CCN(Cc1ccc(C(F)(F)F)cc1)C[C@@H](C)C[NH3+] ZINC000043511972 175060513 /nfs/dbraw/zinc/06/05/13/175060513.db2.gz QQBWNOUGIVGQPG-NSHDSACASA-N 1 3 274.330 3.122 10 0 CGAEHO CC(C)[NH2+]Cc1sccc1CN1CCCCC1 ZINC000045205679 175328013 /nfs/dbraw/zinc/32/80/13/175328013.db2.gz XDRVRDIUDLNNAB-UHFFFAOYSA-N 1 3 252.427 3.232 10 0 CGAEHO C[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000386071665 336165762 /nfs/dbraw/zinc/16/57/62/336165762.db2.gz ZVDBIJDMLKOGMU-RVMXOQNASA-N 1 3 278.362 3.228 10 0 CGAEHO CCCNCc1ccoc1C[N@H+](CC)[C@@H](C)CC ZINC000052450972 519959306 /nfs/dbraw/zinc/95/93/06/519959306.db2.gz GIJBJIFXAUGEFN-ZDUSSCGKSA-N 1 3 252.402 3.400 10 0 CGAEHO CCCNCc1ccoc1C[N@@H+](CC)[C@@H](C)CC ZINC000052450972 519959311 /nfs/dbraw/zinc/95/93/11/519959311.db2.gz GIJBJIFXAUGEFN-ZDUSSCGKSA-N 1 3 252.402 3.400 10 0 CGAEHO CC(C)(C)[NH2+]Cc1coc(CN2CCCSCC2)c1 ZINC000052371109 518769030 /nfs/dbraw/zinc/76/90/30/518769030.db2.gz FODOBGXLTRNNKE-UHFFFAOYSA-N 1 3 282.453 3.107 10 0 CGAEHO CC(C)C[NH2+]C[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000053012235 519744819 /nfs/dbraw/zinc/74/48/19/519744819.db2.gz UNAOSVMMKIKPFN-HOTGVXAUSA-N 1 3 260.425 3.315 10 0 CGAEHO CCC[NH2+]Cc1ccoc1CN1CCCC[C@@H]1C ZINC000052378645 519960490 /nfs/dbraw/zinc/96/04/90/519960490.db2.gz AQTBDVZBOZTNKO-ZDUSSCGKSA-N 1 3 250.386 3.154 10 0 CGAEHO CCNCc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)c(C)o1 ZINC000052510326 519990132 /nfs/dbraw/zinc/99/01/32/519990132.db2.gz MHYIZJRTEHANNM-OLZOCXBDSA-N 1 3 264.413 3.318 10 0 CGAEHO CCNCc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)c(C)o1 ZINC000052510326 519990139 /nfs/dbraw/zinc/99/01/39/519990139.db2.gz MHYIZJRTEHANNM-OLZOCXBDSA-N 1 3 264.413 3.318 10 0 CGAEHO CC(C)Cc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131759632 528649346 /nfs/dbraw/zinc/64/93/46/528649346.db2.gz CCOINQJASBKZKE-YOEHRIQHSA-N 1 3 260.425 3.054 10 0 CGAEHO CC(C)N1CC[C@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000712035264 567836672 /nfs/dbraw/zinc/83/66/72/567836672.db2.gz WCPINLRJXVVSDQ-BBBYJDLNSA-N 1 3 252.446 3.403 10 0 CGAEHO [NH3+]CCCCNc1c2ccccc2nc2c1CCCCCC2 ZINC000584904566 346723861 /nfs/dbraw/zinc/72/38/61/346723861.db2.gz YZJOPPKJAPUEEJ-UHFFFAOYSA-N 1 3 297.446 3.467 10 0 CGAEHO C[N@H+](CCCN[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000085636068 370019130 /nfs/dbraw/zinc/01/91/30/370019130.db2.gz NEGROWWDEPKZPQ-ULQDDVLXSA-N 1 3 294.483 3.044 10 0 CGAEHO C[N@@H+](CCCN[C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000085636068 370019133 /nfs/dbraw/zinc/01/91/33/370019133.db2.gz NEGROWWDEPKZPQ-ULQDDVLXSA-N 1 3 294.483 3.044 10 0 CGAEHO Cc1cc(N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc[nH+]1 ZINC000302221959 373833054 /nfs/dbraw/zinc/83/30/54/373833054.db2.gz OEPFFIQGXZJSRK-KSSFIOAISA-N 1 3 296.418 3.108 10 0 CGAEHO NCC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261551941 295237270 /nfs/dbraw/zinc/23/72/70/295237270.db2.gz BOKYPYLSGRBPPW-STQMWFEESA-N 1 3 260.372 3.015 10 0 CGAEHO NCC[C@@H]1CCCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261551941 295237274 /nfs/dbraw/zinc/23/72/74/295237274.db2.gz BOKYPYLSGRBPPW-STQMWFEESA-N 1 3 260.372 3.015 10 0 CGAEHO [NH3+]CC[C@@H]1CCCCN1C[C@H]1CCCC(F)(F)C1 ZINC000261551941 295237276 /nfs/dbraw/zinc/23/72/76/295237276.db2.gz BOKYPYLSGRBPPW-STQMWFEESA-N 1 3 260.372 3.015 10 0 CGAEHO C[C@@H](NCc1cccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000582354460 378306310 /nfs/dbraw/zinc/30/63/10/378306310.db2.gz MFJZSUGTCKEUGV-ZBFHGGJFSA-N 1 3 268.404 3.318 10 0 CGAEHO C[C@@H]([NH2+]Cc1cccc2ccccc21)[C@H]1CCCNC1 ZINC000582354460 378306315 /nfs/dbraw/zinc/30/63/15/378306315.db2.gz MFJZSUGTCKEUGV-ZBFHGGJFSA-N 1 3 268.404 3.318 10 0 CGAEHO CCC[NH+]1CCC([C@H](C)N[C@H](C)c2ccco2)CC1 ZINC000035738475 172391894 /nfs/dbraw/zinc/39/18/94/172391894.db2.gz HOSHXJWXUGXBTP-UONOGXRCSA-N 1 3 264.413 3.441 10 0 CGAEHO CCC[NH+]1CCC([C@H](C)N[C@@H](C)c2ccco2)CC1 ZINC000035738473 172391949 /nfs/dbraw/zinc/39/19/49/172391949.db2.gz HOSHXJWXUGXBTP-KBPBESRZSA-N 1 3 264.413 3.441 10 0 CGAEHO C[C@H]([NH2+]C1CCC(C2CCC2)CC1)[C@@H]1CCCNC1 ZINC000665284057 419105214 /nfs/dbraw/zinc/10/52/14/419105214.db2.gz ZNJYSSPUPPEMLW-MHABSNSOSA-N 1 3 264.457 3.323 10 0 CGAEHO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000159017909 321827216 /nfs/dbraw/zinc/82/72/16/321827216.db2.gz OUZICTNMHWMOIO-CABCVRRESA-N 1 3 278.440 3.322 10 0 CGAEHO CC(C)C[NH2+]Cc1ccc(CN2CCC(C)CC2)o1 ZINC000052376967 519747253 /nfs/dbraw/zinc/74/72/53/519747253.db2.gz XTJYITRNOUDFAN-UHFFFAOYSA-N 1 3 264.413 3.257 10 0 CGAEHO CCNCc1cc(C[N@@H+]2CCCC[C@@H]2C)c(C)o1 ZINC000052379045 519987202 /nfs/dbraw/zinc/98/72/02/519987202.db2.gz VQVNPTMVLPNWQT-LBPRGKRZSA-N 1 3 250.386 3.072 10 0 CGAEHO CCNCc1cc(C[N@H+]2CCCC[C@@H]2C)c(C)o1 ZINC000052379045 519987207 /nfs/dbraw/zinc/98/72/07/519987207.db2.gz VQVNPTMVLPNWQT-LBPRGKRZSA-N 1 3 250.386 3.072 10 0 CGAEHO CCC(CC)C[N@H+](CC)Cc1occc1CNC ZINC000052540638 521519190 /nfs/dbraw/zinc/51/91/90/521519190.db2.gz SGBSKPASWMGLDV-UHFFFAOYSA-N 1 3 252.402 3.257 10 0 CGAEHO CCC(CC)C[N@@H+](CC)Cc1occc1CNC ZINC000052540638 521519204 /nfs/dbraw/zinc/51/92/04/521519204.db2.gz SGBSKPASWMGLDV-UHFFFAOYSA-N 1 3 252.402 3.257 10 0 CGAEHO CC(C)NCc1ccoc1C[NH+]1CCCCCC1 ZINC000052381846 519727686 /nfs/dbraw/zinc/72/76/86/519727686.db2.gz ZZHXZSAGWDOOLQ-UHFFFAOYSA-N 1 3 250.386 3.154 10 0 CGAEHO CCNC[C@H](c1ccccc1)[N@@H+](CC1CC1)C(C)C ZINC000052345877 519976329 /nfs/dbraw/zinc/97/63/29/519976329.db2.gz RTUFRHRIZOOSPM-QGZVFWFLSA-N 1 3 260.425 3.458 10 0 CGAEHO CCNC[C@H](c1ccccc1)[N@H+](CC1CC1)C(C)C ZINC000052345877 519976323 /nfs/dbraw/zinc/97/63/23/519976323.db2.gz RTUFRHRIZOOSPM-QGZVFWFLSA-N 1 3 260.425 3.458 10 0 CGAEHO C[C@@H]1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCCCN1C ZINC000052206105 524124739 /nfs/dbraw/zinc/12/47/39/524124739.db2.gz UCZWZECWKLGNKD-OAGGEKHMSA-N 1 3 252.446 3.277 10 0 CGAEHO Cc1cc(C)c(C[N@@H+]2CCCC[C@H]2CCN)c(C)c1 ZINC000111380852 524261223 /nfs/dbraw/zinc/26/12/23/524261223.db2.gz MUYTYMWYMBOJOA-INIZCTEOSA-N 1 3 260.425 3.315 10 0 CGAEHO Cc1cc(C)c(C[N@H+]2CCCC[C@H]2CCN)c(C)c1 ZINC000111380852 524261231 /nfs/dbraw/zinc/26/12/31/524261231.db2.gz MUYTYMWYMBOJOA-INIZCTEOSA-N 1 3 260.425 3.315 10 0 CGAEHO Cc1cc(CN2CC[C@H](C)C2)oc1C[NH2+]CC(C)C ZINC000052484778 524707389 /nfs/dbraw/zinc/70/73/89/524707389.db2.gz QYDIVPGBYLPHQA-ZDUSSCGKSA-N 1 3 264.413 3.175 10 0 CGAEHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC1CC1 ZINC000052379080 526251890 /nfs/dbraw/zinc/25/18/90/526251890.db2.gz BDGNTQIDWNPIMJ-AWEZNQCLSA-N 1 3 258.409 3.313 10 0 CGAEHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC1CC1 ZINC000052379080 526251891 /nfs/dbraw/zinc/25/18/91/526251891.db2.gz BDGNTQIDWNPIMJ-AWEZNQCLSA-N 1 3 258.409 3.313 10 0 CGAEHO NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCc2sccc21 ZINC000061330019 527147344 /nfs/dbraw/zinc/14/73/44/527147344.db2.gz RGOVQILFWJJZBQ-GPWHNMLOSA-N 1 3 262.422 3.080 10 0 CGAEHO NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCc2sccc21 ZINC000061330019 527147346 /nfs/dbraw/zinc/14/73/46/527147346.db2.gz RGOVQILFWJJZBQ-GPWHNMLOSA-N 1 3 262.422 3.080 10 0 CGAEHO C[N@H+]1C[C@@H]2[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C1 ZINC000409429026 346605240 /nfs/dbraw/zinc/60/52/40/346605240.db2.gz HMADQGVNEBTSJJ-AABGKKOBSA-N 1 3 292.426 3.421 10 0 CGAEHO C[N@@H+]1C[C@@H]2[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C1 ZINC000409429026 346605242 /nfs/dbraw/zinc/60/52/42/346605242.db2.gz HMADQGVNEBTSJJ-AABGKKOBSA-N 1 3 292.426 3.421 10 0 CGAEHO CCc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000301765158 201184837 /nfs/dbraw/zinc/18/48/37/201184837.db2.gz BDNDXPLEQXBBMY-ACJLOTCBSA-N 1 3 283.419 3.184 10 0 CGAEHO C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[C@H]1CCCNC1 ZINC000414863870 296166003 /nfs/dbraw/zinc/16/60/03/296166003.db2.gz YJTBPQLMJJLOOC-KBXIAJHMSA-N 1 3 252.446 3.179 10 0 CGAEHO Cc1cc(N[C@H](C)CCCC[NH3+])c2ccccc2n1 ZINC000311700040 374253407 /nfs/dbraw/zinc/25/34/07/374253407.db2.gz LVQQXQAYZQQXOZ-GFCCVEGCSA-N 1 3 257.381 3.473 10 0 CGAEHO C[C@H](CC1CCCCC1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000667030925 542838456 /nfs/dbraw/zinc/83/84/56/542838456.db2.gz FPERNNZGLUMERO-IJEWVQPXSA-N 1 3 252.446 3.323 10 0 CGAEHO Cc1cc(C)cc(OCCC[N@H+]2CCCC[C@H]2[C@@H](C)N)c1 ZINC000063195384 165031410 /nfs/dbraw/zinc/03/14/10/165031410.db2.gz FCELXKAJPAQQAJ-AEFFLSMTSA-N 1 3 290.451 3.274 10 0 CGAEHO Cc1cc(C)cc(OCCC[N@@H+]2CCCC[C@H]2[C@@H](C)N)c1 ZINC000063195384 165031413 /nfs/dbraw/zinc/03/14/13/165031413.db2.gz FCELXKAJPAQQAJ-AEFFLSMTSA-N 1 3 290.451 3.274 10 0 CGAEHO CC1(C)CC[C@H]2CNCC[C@@H]2[N@@H+]1Cc1ccccc1 ZINC000076697653 177061201 /nfs/dbraw/zinc/06/12/01/177061201.db2.gz NKMRDGAVHXSOCS-HOTGVXAUSA-N 1 3 258.409 3.039 10 0 CGAEHO CC1(C)CC[C@H]2CNCC[C@@H]2[N@H+]1Cc1ccccc1 ZINC000076697653 177061202 /nfs/dbraw/zinc/06/12/02/177061202.db2.gz NKMRDGAVHXSOCS-HOTGVXAUSA-N 1 3 258.409 3.039 10 0 CGAEHO C[C@H]([NH2+][C@H]1CCCC12CCCCC2)[C@@H]1CCCNC1 ZINC000665233585 419087260 /nfs/dbraw/zinc/08/72/60/419087260.db2.gz LBPITKMQCDQKOB-XHSDSOJGSA-N 1 3 264.457 3.467 10 0 CGAEHO CCC(CC)[N@H+](C)Cc1cc(CNC2CC2)co1 ZINC000052478155 521542904 /nfs/dbraw/zinc/54/29/04/521542904.db2.gz WJZQVGXHGVAATA-UHFFFAOYSA-N 1 3 250.386 3.152 10 0 CGAEHO CCC(CC)[N@@H+](C)Cc1cc(CNC2CC2)co1 ZINC000052478155 521542909 /nfs/dbraw/zinc/54/29/09/521542909.db2.gz WJZQVGXHGVAATA-UHFFFAOYSA-N 1 3 250.386 3.152 10 0 CGAEHO CCC[N@H+](C)Cc1c2ccccc2oc1CNCC ZINC000052444467 521500551 /nfs/dbraw/zinc/50/05/51/521500551.db2.gz NKTXRXYHALZMOX-UHFFFAOYSA-N 1 3 260.381 3.384 10 0 CGAEHO CCC[N@@H+](C)Cc1c2ccccc2oc1CNCC ZINC000052444467 521500560 /nfs/dbraw/zinc/50/05/60/521500560.db2.gz NKTXRXYHALZMOX-UHFFFAOYSA-N 1 3 260.381 3.384 10 0 CGAEHO CCC[N@H+](Cc1oc2ccccc2c1CN)C1CC1 ZINC000052449112 521696693 /nfs/dbraw/zinc/69/66/93/521696693.db2.gz FEERXFKMVXYXMP-UHFFFAOYSA-N 1 3 258.365 3.266 10 0 CGAEHO CCC[N@@H+](Cc1oc2ccccc2c1CN)C1CC1 ZINC000052449112 521696696 /nfs/dbraw/zinc/69/66/96/521696696.db2.gz FEERXFKMVXYXMP-UHFFFAOYSA-N 1 3 258.365 3.266 10 0 CGAEHO CNCc1ccoc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517496 522139683 /nfs/dbraw/zinc/13/96/83/522139683.db2.gz OQTFQRFZWFBHBM-OAHLLOKOSA-N 1 3 262.397 3.154 10 0 CGAEHO CNCc1ccoc1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517496 522139691 /nfs/dbraw/zinc/13/96/91/522139691.db2.gz OQTFQRFZWFBHBM-OAHLLOKOSA-N 1 3 262.397 3.154 10 0 CGAEHO CC(C)[C@H](C)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000159036370 372101150 /nfs/dbraw/zinc/10/11/50/372101150.db2.gz HTRBJUIGKCWDTH-GJZGRUSLSA-N 1 3 278.440 3.322 10 0 CGAEHO Cc1ccc(C)c(OCCC[N@H+]2CCCC[C@H]2[C@@H](C)N)c1 ZINC000063195382 165030703 /nfs/dbraw/zinc/03/07/03/165030703.db2.gz MBACSRNGRZXTLY-SJORKVTESA-N 1 3 290.451 3.274 10 0 CGAEHO Cc1ccc(C)c(OCCC[N@@H+]2CCCC[C@H]2[C@@H](C)N)c1 ZINC000063195382 165030706 /nfs/dbraw/zinc/03/07/06/165030706.db2.gz MBACSRNGRZXTLY-SJORKVTESA-N 1 3 290.451 3.274 10 0 CGAEHO C[NH+](C)Cc1ccccc1CNCc1ccc(F)cc1 ZINC000020128551 171015711 /nfs/dbraw/zinc/01/57/11/171015711.db2.gz RCRAWHZWQKTZQN-UHFFFAOYSA-N 1 3 272.367 3.177 10 0 CGAEHO CC[NH+]1CCC([C@H](C)N[C@@H](C)c2ccco2)CC1 ZINC000035738477 172391803 /nfs/dbraw/zinc/39/18/03/172391803.db2.gz RTJDSOXOAWTGLT-STQMWFEESA-N 1 3 250.386 3.051 10 0 CGAEHO Cc1cc(OCCN2C[C@H](C[NH3+])C[C@@H]2C)ccc1C(C)C ZINC000131526471 287382614 /nfs/dbraw/zinc/38/26/14/287382614.db2.gz AGKPHSZJBBJDBU-HOTGVXAUSA-N 1 3 290.451 3.166 10 0 CGAEHO CC(C)[C@H](C)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000159036646 321828082 /nfs/dbraw/zinc/82/80/82/321828082.db2.gz HTRBJUIGKCWDTH-LSDHHAIUSA-N 1 3 278.440 3.322 10 0 CGAEHO CCC1CCC(C[NH2+]CCCN2CCCC2)CC1 ZINC000049332534 519851902 /nfs/dbraw/zinc/85/19/02/519851902.db2.gz ZBTXGUYIHALYCD-UHFFFAOYSA-N 1 3 252.446 3.278 10 0 CGAEHO CCCNC[C@@H]1CC[N@H+]([C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000053012697 519922591 /nfs/dbraw/zinc/92/25/91/519922591.db2.gz IKNABABZDRNLSX-YHUYYLMFSA-N 1 3 252.446 3.133 10 0 CGAEHO CCCNC[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000053012697 519922587 /nfs/dbraw/zinc/92/25/87/519922587.db2.gz IKNABABZDRNLSX-YHUYYLMFSA-N 1 3 252.446 3.133 10 0 CGAEHO CCC[NH2+]Cc1ccc(CN2CCCSCC2)cc1 ZINC000052371136 519948446 /nfs/dbraw/zinc/94/84/46/519948446.db2.gz CJYTUDGLKIRRKY-UHFFFAOYSA-N 1 3 278.465 3.125 10 0 CGAEHO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1CN(C)C(C)C ZINC000054559594 520217679 /nfs/dbraw/zinc/21/76/79/520217679.db2.gz NVWQNZDDSHHRPH-OAGGEKHMSA-N 1 3 254.462 3.377 10 0 CGAEHO C[C@H](c1cccs1)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602026 526156072 /nfs/dbraw/zinc/15/60/72/526156072.db2.gz DEAPIKSRAWTHMQ-ODWCKFRGSA-N 1 3 250.411 3.153 10 0 CGAEHO Cc1oc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)cc1CN ZINC000052546688 526769149 /nfs/dbraw/zinc/76/91/49/526769149.db2.gz GBCJRKUOALELAY-NHYWBVRUSA-N 1 3 250.386 3.057 10 0 CGAEHO Cc1oc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)cc1CN ZINC000052546688 526769152 /nfs/dbraw/zinc/76/91/52/526769152.db2.gz GBCJRKUOALELAY-NHYWBVRUSA-N 1 3 250.386 3.057 10 0 CGAEHO Cc1oc(CNC(C)C)cc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543895 526774700 /nfs/dbraw/zinc/77/47/00/526774700.db2.gz YJSKUMPPCXFAIZ-DZGCQCFKSA-N 1 3 262.397 3.070 10 0 CGAEHO Cc1oc(CNC(C)C)cc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543895 526774707 /nfs/dbraw/zinc/77/47/07/526774707.db2.gz YJSKUMPPCXFAIZ-DZGCQCFKSA-N 1 3 262.397 3.070 10 0 CGAEHO C[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)[C@H]1CCN ZINC000404374389 572330760 /nfs/dbraw/zinc/33/07/60/572330760.db2.gz RSAJFKOHTXZSIU-RDBSUJKOSA-N 1 3 274.399 3.261 10 0 CGAEHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)[C@H]1CCN ZINC000404374389 572330765 /nfs/dbraw/zinc/33/07/65/572330765.db2.gz RSAJFKOHTXZSIU-RDBSUJKOSA-N 1 3 274.399 3.261 10 0 CGAEHO c1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000096950566 185138425 /nfs/dbraw/zinc/13/84/25/185138425.db2.gz KZCKITJHBRAVGV-IAGOWNOFSA-N 1 3 258.409 3.041 10 0 CGAEHO c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCNC2)cc1 ZINC000096950566 185138426 /nfs/dbraw/zinc/13/84/26/185138426.db2.gz KZCKITJHBRAVGV-IAGOWNOFSA-N 1 3 258.409 3.041 10 0 CGAEHO c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCNC2)cc1 ZINC000096950566 185138427 /nfs/dbraw/zinc/13/84/27/185138427.db2.gz KZCKITJHBRAVGV-IAGOWNOFSA-N 1 3 258.409 3.041 10 0 CGAEHO C[NH+](C)CCCN[C@@H]1c2ccccc2CCC1(C)C ZINC000156721459 232229509 /nfs/dbraw/zinc/22/95/09/232229509.db2.gz BVSPVHMADCSSSI-MRXNPFEDSA-N 1 3 260.425 3.241 10 0 CGAEHO C/C=C\CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390920693 346575186 /nfs/dbraw/zinc/57/51/86/346575186.db2.gz XAUYOBMTRPPEFA-PNORRXHGSA-N 1 3 270.420 3.348 10 0 CGAEHO C/C=C\CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390920693 346575189 /nfs/dbraw/zinc/57/51/89/346575189.db2.gz XAUYOBMTRPPEFA-PNORRXHGSA-N 1 3 270.420 3.348 10 0 CGAEHO CC1CCC(CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629652736 350731274 /nfs/dbraw/zinc/73/12/74/350731274.db2.gz BLCYYEZXFVICJK-HOAMVYINSA-N 1 3 292.389 3.272 10 0 CGAEHO Cc1cc(C)c(CN(C)CC[C@@H]([NH3+])C(C)C)c(C)c1 ZINC000123739317 138369770 /nfs/dbraw/zinc/36/97/70/138369770.db2.gz CIFALVXCCWERGD-QGZVFWFLSA-N 1 3 262.441 3.417 10 0 CGAEHO CC(C)[C@H]([NH3+])CCN(C)c1ccnc2ccccc21 ZINC000133611271 371266618 /nfs/dbraw/zinc/26/66/18/371266618.db2.gz WFGVSTGXHVNWPT-CQSZACIVSA-N 1 3 257.381 3.044 10 0 CGAEHO Cc1csc(C2CC[NH+](CC[C@@H]3CCCN3C)CC2)n1 ZINC000162915157 372432837 /nfs/dbraw/zinc/43/28/37/372432837.db2.gz NQZTXJKQMKQXMF-HNNXBMFYSA-N 1 3 293.480 3.115 10 0 CGAEHO CC(C)=CC[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000192299952 375727871 /nfs/dbraw/zinc/72/78/71/375727871.db2.gz IPKQXIOZMPNJMZ-UHFFFAOYSA-N 1 3 250.430 3.197 10 0 CGAEHO CC[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1 ZINC000080428119 287065144 /nfs/dbraw/zinc/06/51/44/287065144.db2.gz IBSSFHLQUHDEEA-OLZOCXBDSA-N 1 3 252.446 3.464 10 0 CGAEHO Cn1c2ccccc2c(C[NH+]2CCCCCC2)c1CN ZINC000009239730 170368323 /nfs/dbraw/zinc/36/83/23/170368323.db2.gz AYBFXCCJSMWJPQ-UHFFFAOYSA-N 1 3 271.408 3.013 10 0 CGAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]C2CCCCCC2)C1 ZINC000037220274 173038419 /nfs/dbraw/zinc/03/84/19/173038419.db2.gz SDLCVGUMNQGPLL-HUUCEWRRSA-N 1 3 252.446 3.419 10 0 CGAEHO CCNCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420893 520009285 /nfs/dbraw/zinc/00/92/85/520009285.db2.gz SFZVBUYOUFKKMF-GASCZTMLSA-N 1 3 260.425 3.274 10 0 CGAEHO CCNCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052420893 520009288 /nfs/dbraw/zinc/00/92/88/520009288.db2.gz SFZVBUYOUFKKMF-GASCZTMLSA-N 1 3 260.425 3.274 10 0 CGAEHO CCC[C@H](C)[N@H+](C)Cc1cc(CNCC)oc1C ZINC000052480769 521037230 /nfs/dbraw/zinc/03/72/30/521037230.db2.gz LXLZUXBQQHKWOM-LBPRGKRZSA-N 1 3 252.402 3.318 10 0 CGAEHO CCC[C@H](C)[N@@H+](C)Cc1cc(CNCC)oc1C ZINC000052480769 521037241 /nfs/dbraw/zinc/03/72/41/521037241.db2.gz LXLZUXBQQHKWOM-LBPRGKRZSA-N 1 3 252.402 3.318 10 0 CGAEHO CCC(CC)[N@H+](C)Cc1ccc(CNC(C)C)o1 ZINC000052478056 521543013 /nfs/dbraw/zinc/54/30/13/521543013.db2.gz XNIVULDRALGUOM-UHFFFAOYSA-N 1 3 252.402 3.398 10 0 CGAEHO CCC(CC)[N@@H+](C)Cc1ccc(CNC(C)C)o1 ZINC000052478056 521543020 /nfs/dbraw/zinc/54/30/20/521543020.db2.gz XNIVULDRALGUOM-UHFFFAOYSA-N 1 3 252.402 3.398 10 0 CGAEHO CNCc1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)o1 ZINC000052517525 522116912 /nfs/dbraw/zinc/11/69/12/522116912.db2.gz HBRDBMHNLTZXHJ-MRXNPFEDSA-N 1 3 262.397 3.154 10 0 CGAEHO CNCc1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)o1 ZINC000052517525 522116921 /nfs/dbraw/zinc/11/69/21/522116921.db2.gz HBRDBMHNLTZXHJ-MRXNPFEDSA-N 1 3 262.397 3.154 10 0 CGAEHO CC(C)(C)[NH2+]Cc1occc1CN1CCCCC1 ZINC000052421324 518771481 /nfs/dbraw/zinc/77/14/81/518771481.db2.gz OXNFIYXJCJIEDF-UHFFFAOYSA-N 1 3 250.386 3.154 10 0 CGAEHO CC(C)(C)[C@H](C[NH3+])N1CCC2(CCCCC2)CC1 ZINC000061818049 518959075 /nfs/dbraw/zinc/95/90/75/518959075.db2.gz TYSUMEGDMWXAOW-AWEZNQCLSA-N 1 3 252.446 3.406 10 0 CGAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](CC)C(C)C ZINC000054628861 519908413 /nfs/dbraw/zinc/90/84/13/519908413.db2.gz UACNHTWAFMIEES-UYTSQGDYSA-N 1 3 252.446 3.416 10 0 CGAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CC)C(C)C ZINC000054628861 519908414 /nfs/dbraw/zinc/90/84/14/519908414.db2.gz UACNHTWAFMIEES-UYTSQGDYSA-N 1 3 252.446 3.416 10 0 CGAEHO CCNCc1ccc(C[N@H+](CC(C)C)C(C)C)o1 ZINC000052572563 519995465 /nfs/dbraw/zinc/99/54/65/519995465.db2.gz GNWZKOORMZLNGR-UHFFFAOYSA-N 1 3 252.402 3.256 10 0 CGAEHO CCNCc1ccc(C[N@@H+](CC(C)C)C(C)C)o1 ZINC000052572563 519995473 /nfs/dbraw/zinc/99/54/73/519995473.db2.gz GNWZKOORMZLNGR-UHFFFAOYSA-N 1 3 252.402 3.256 10 0 CGAEHO C[NH2+]CCC[C@H](C)N(C)Cc1ccc(Cl)s1 ZINC000052509096 521998946 /nfs/dbraw/zinc/99/89/46/521998946.db2.gz JGFYTEADOZJNMC-JTQLQIEISA-N 1 3 260.834 3.221 10 0 CGAEHO CC[C@H](C)N(C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052444047 523923524 /nfs/dbraw/zinc/92/35/24/523923524.db2.gz PMALZZIIYBFTNC-LBPRGKRZSA-N 1 3 252.402 3.398 10 0 CGAEHO Cc1ccccc1[C@@H](C)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602851 525351954 /nfs/dbraw/zinc/35/19/54/525351954.db2.gz CJXZKMYMKWJMAV-WZYMTQMTSA-N 1 3 258.409 3.400 10 0 CGAEHO Cc1ccccc1[C@@H](C)[N@H+]1[C@@H]2CCC[C@H]1CC(N)C2 ZINC000054602851 525351965 /nfs/dbraw/zinc/35/19/65/525351965.db2.gz CJXZKMYMKWJMAV-WZYMTQMTSA-N 1 3 258.409 3.400 10 0 CGAEHO Cc1ccccc1[C@@H](C)[N@@H+]1[C@@H]2CCC[C@H]1CC(N)C2 ZINC000054602851 525351969 /nfs/dbraw/zinc/35/19/69/525351969.db2.gz CJXZKMYMKWJMAV-WZYMTQMTSA-N 1 3 258.409 3.400 10 0 CGAEHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000049159587 525939661 /nfs/dbraw/zinc/93/96/61/525939661.db2.gz GWBIJFCUXKJZQQ-HZSPNIEDSA-N 1 3 266.454 3.437 10 0 CGAEHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000049159587 525939671 /nfs/dbraw/zinc/93/96/71/525939671.db2.gz GWBIJFCUXKJZQQ-HZSPNIEDSA-N 1 3 266.454 3.437 10 0 CGAEHO NC[C@H]1CCC[C@]12CCCC[N@@H+]2Cc1ccccc1 ZINC000096897644 185125381 /nfs/dbraw/zinc/12/53/81/185125381.db2.gz BEEZGAOKPXVTED-IAGOWNOFSA-N 1 3 258.409 3.170 10 0 CGAEHO NC[C@H]1CCC[C@]12CCCC[N@H+]2Cc1ccccc1 ZINC000096897644 185125384 /nfs/dbraw/zinc/12/53/84/185125384.db2.gz BEEZGAOKPXVTED-IAGOWNOFSA-N 1 3 258.409 3.170 10 0 CGAEHO N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCCC1 ZINC000409432295 346606124 /nfs/dbraw/zinc/60/61/24/346606124.db2.gz NHGYCJUMFOKBQE-IRXDYDNUSA-N 1 3 258.409 3.026 10 0 CGAEHO N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCCC1 ZINC000409432295 346606128 /nfs/dbraw/zinc/60/61/28/346606128.db2.gz NHGYCJUMFOKBQE-IRXDYDNUSA-N 1 3 258.409 3.026 10 0 CGAEHO FC(F)(F)C1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000127915727 370957534 /nfs/dbraw/zinc/95/75/34/370957534.db2.gz IRLBTFNPHZSXST-HOAMVYINSA-N 1 3 290.373 3.324 10 0 CGAEHO F[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000335399149 375269072 /nfs/dbraw/zinc/26/90/72/375269072.db2.gz MEHVWVFIQIXTPR-DZGCQCFKSA-N 1 3 268.420 3.264 10 0 CGAEHO CCC1CCC(C[NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000562958350 377379716 /nfs/dbraw/zinc/37/97/16/377379716.db2.gz GSPZZCJAUINGGL-LBDPXKHJSA-N 1 3 252.446 3.181 10 0 CGAEHO FC1(F)CCCC[C@@H]1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000394678797 397696056 /nfs/dbraw/zinc/69/60/56/397696056.db2.gz XJFZQJZLXJXSCW-ZNMIVQPWSA-N 1 3 286.410 3.276 10 0 CGAEHO C[NH+](C)Cc1ccccc1CNCc1ccsc1 ZINC000020128589 171015471 /nfs/dbraw/zinc/01/54/71/171015471.db2.gz BAIYABUSYNZYMZ-UHFFFAOYSA-N 1 3 260.406 3.100 10 0 CGAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2)C1 ZINC000037208811 173030847 /nfs/dbraw/zinc/03/08/47/173030847.db2.gz WGUIGEMLDXMWGK-NVXWUHKLSA-N 1 3 260.425 3.287 10 0 CGAEHO CC(C)C[NH2+]Cc1ccc(CN2CCCC[C@@H]2C)o1 ZINC000052378710 519746927 /nfs/dbraw/zinc/74/69/27/519746927.db2.gz PJBAUGXTRRMWHF-AWEZNQCLSA-N 1 3 264.413 3.400 10 0 CGAEHO CCCNCc1ccoc1C[N@@H+]1CCC[C@@H]1CC ZINC000052374956 519959165 /nfs/dbraw/zinc/95/91/65/519959165.db2.gz ZGWOXBLVZJRPDA-AWEZNQCLSA-N 1 3 250.386 3.154 10 0 CGAEHO CCCNCc1ccoc1C[N@H+]1CCC[C@@H]1CC ZINC000052374956 519959173 /nfs/dbraw/zinc/95/91/73/519959173.db2.gz ZGWOXBLVZJRPDA-AWEZNQCLSA-N 1 3 250.386 3.154 10 0 CGAEHO CCCC[C@@](C=C=C(C)C)(CC)C[NH2+]CCCNCCO ZINC000584603100 346690323 /nfs/dbraw/zinc/69/03/23/346690323.db2.gz MUEQFVXCVYROJL-GOSISDBHSA-N 1 3 296.499 3.256 10 0 CGAEHO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[C@H]1CCCNC1 ZINC000414863871 299428097 /nfs/dbraw/zinc/42/80/97/299428097.db2.gz YJTBPQLMJJLOOC-QPSCCSFWSA-N 1 3 252.446 3.179 10 0 CGAEHO C[C@H]([NH2+][C@@H](C)C1CCN(C)CC1)c1cccs1 ZINC000037221409 541863631 /nfs/dbraw/zinc/86/36/31/541863631.db2.gz LBQWYHXJIOCGTN-RYUDHWBXSA-N 1 3 252.427 3.129 10 0 CGAEHO FC1(F)CCC[C@H]1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000336187473 375754704 /nfs/dbraw/zinc/75/47/04/375754704.db2.gz BXLGUYFSHMOJRI-LSDHHAIUSA-N 1 3 286.410 3.372 10 0 CGAEHO c1csc([C@@H]2CCC[N@H+]2CCCN2CCCC2)c1 ZINC000193458655 375881385 /nfs/dbraw/zinc/88/13/85/375881385.db2.gz OJQIBTFYHXXGTQ-AWEZNQCLSA-N 1 3 264.438 3.371 10 0 CGAEHO c1csc([C@@H]2CCC[N@@H+]2CCCN2CCCC2)c1 ZINC000193458655 375881389 /nfs/dbraw/zinc/88/13/89/375881389.db2.gz OJQIBTFYHXXGTQ-AWEZNQCLSA-N 1 3 264.438 3.371 10 0 CGAEHO C[C@@H]1C[C@@H](CN2CCCC[C@H]2c2nccs2)CC[NH2+]1 ZINC000414700708 380380441 /nfs/dbraw/zinc/38/04/41/380380441.db2.gz VBDSMVLEOSQMCF-RDBSUJKOSA-N 1 3 279.453 3.058 10 0 CGAEHO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCCC2(F)F)C[C@H]1CN ZINC000397396313 542617496 /nfs/dbraw/zinc/61/74/96/542617496.db2.gz GMTZSNWUZKZVDR-XJFOESAGSA-N 1 3 274.399 3.117 10 0 CGAEHO C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCCC2(F)F)C[C@H]1CN ZINC000397396313 542617499 /nfs/dbraw/zinc/61/74/99/542617499.db2.gz GMTZSNWUZKZVDR-XJFOESAGSA-N 1 3 274.399 3.117 10 0 CGAEHO C[C@@H]1C[C@H](C)N(C[C@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000397396313 542617501 /nfs/dbraw/zinc/61/75/01/542617501.db2.gz GMTZSNWUZKZVDR-XJFOESAGSA-N 1 3 274.399 3.117 10 0 CGAEHO C(CN1CCCC1)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000162214344 392592471 /nfs/dbraw/zinc/59/24/71/392592471.db2.gz IRQBRMMKJDLLSW-UHFFFAOYSA-N 1 3 294.483 3.144 10 0 CGAEHO NCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381724182 392913531 /nfs/dbraw/zinc/91/35/31/392913531.db2.gz RXRUJJMLHXKEHH-STQMWFEESA-N 1 3 260.372 3.015 10 0 CGAEHO NCC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381724182 392913536 /nfs/dbraw/zinc/91/35/36/392913536.db2.gz RXRUJJMLHXKEHH-STQMWFEESA-N 1 3 260.372 3.015 10 0 CGAEHO [NH3+]CC[C@@H]1CCCCN1C[C@@H]1CCCCC1(F)F ZINC000381724182 392913543 /nfs/dbraw/zinc/91/35/43/392913543.db2.gz RXRUJJMLHXKEHH-STQMWFEESA-N 1 3 260.372 3.015 10 0 CGAEHO Cc1ccc(CNCc2ccccc2C[NH+](C)C)s1 ZINC000020128669 171015263 /nfs/dbraw/zinc/01/52/63/171015263.db2.gz LPPJCRWPYOQCSQ-UHFFFAOYSA-N 1 3 274.433 3.408 10 0 CGAEHO [NH3+]Cc1ccc(CN2CCCCCCC2)c(F)c1 ZINC000020265090 171121503 /nfs/dbraw/zinc/12/15/03/171121503.db2.gz NTKYDBUAJIDMFU-UHFFFAOYSA-N 1 3 250.361 3.051 10 0 CGAEHO CCn1cc(CNC[C@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000020968484 171282590 /nfs/dbraw/zinc/28/25/90/171282590.db2.gz DIBPVOVYBMAHRM-MRXNPFEDSA-N 1 3 285.435 3.235 10 0 CGAEHO CCn1cc(CNC[C@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000020968484 171282592 /nfs/dbraw/zinc/28/25/92/171282592.db2.gz DIBPVOVYBMAHRM-MRXNPFEDSA-N 1 3 285.435 3.235 10 0 CGAEHO C[C@@H]1CCC[C@@](CN)([N@H+](C)Cc2ccsc2)C1 ZINC000035719090 172373594 /nfs/dbraw/zinc/37/35/94/172373594.db2.gz QSWALIJOQCYCQK-TZMCWYRMSA-N 1 3 252.427 3.088 10 0 CGAEHO C[C@@H]1CCC[C@@](CN)([N@@H+](C)Cc2ccsc2)C1 ZINC000035719090 172373595 /nfs/dbraw/zinc/37/35/95/172373595.db2.gz QSWALIJOQCYCQK-TZMCWYRMSA-N 1 3 252.427 3.088 10 0 CGAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC000037221014 173039203 /nfs/dbraw/zinc/03/92/03/173039203.db2.gz FLEMTKHOSABVNL-NVXWUHKLSA-N 1 3 260.425 3.205 10 0 CGAEHO CC(C)C[NH2+]C[C@H]1CCN([C@@H](C)Cc2cccs2)C1 ZINC000071271069 176104374 /nfs/dbraw/zinc/10/43/74/176104374.db2.gz PRKYFWBFXNQUNE-LSDHHAIUSA-N 1 3 280.481 3.247 10 0 CGAEHO C[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000400473653 279497939 /nfs/dbraw/zinc/49/79/39/279497939.db2.gz YWRXRYFFRMCNHD-DEYYWGMASA-N 1 3 272.436 3.214 10 0 CGAEHO CC[C@H](c1ccc(OC)cc1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000312487349 288155929 /nfs/dbraw/zinc/15/59/29/288155929.db2.gz OROMGCBKMVPEIN-KBRIMQKVSA-N 1 3 276.424 3.063 10 0 CGAEHO CC[C@H](c1ccc(OC)cc1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000312487349 288155933 /nfs/dbraw/zinc/15/59/33/288155933.db2.gz OROMGCBKMVPEIN-KBRIMQKVSA-N 1 3 276.424 3.063 10 0 CGAEHO C[C@H](NC1CCC(C(F)(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000385968800 336163634 /nfs/dbraw/zinc/16/36/34/336163634.db2.gz GLURQKLFVSYAJJ-WTIISPKJSA-N 1 3 278.362 3.228 10 0 CGAEHO CC(C)NCc1coc(C[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000052478564 519728619 /nfs/dbraw/zinc/72/86/19/519728619.db2.gz QGRBAIAWPJVDBM-ZDUSSCGKSA-N 1 3 252.402 3.254 10 0 CGAEHO CC(C)NCc1coc(C[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000052478564 519728621 /nfs/dbraw/zinc/72/86/21/519728621.db2.gz QGRBAIAWPJVDBM-ZDUSSCGKSA-N 1 3 252.402 3.254 10 0 CGAEHO CCCNCc1ccoc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000052373270 519958756 /nfs/dbraw/zinc/95/87/56/519958756.db2.gz MBBXCPMBIHSBKB-KBPBESRZSA-N 1 3 264.413 3.400 10 0 CGAEHO CCCNCc1ccoc1C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000052373270 519958761 /nfs/dbraw/zinc/95/87/61/519958761.db2.gz MBBXCPMBIHSBKB-KBPBESRZSA-N 1 3 264.413 3.400 10 0 CGAEHO CNCc1ccc(C[N@H+](C)C2CCC(C)CC2)o1 ZINC000052345370 522117973 /nfs/dbraw/zinc/11/79/73/522117973.db2.gz OIKKHXYNEMMGJN-UHFFFAOYSA-N 1 3 250.386 3.010 10 0 CGAEHO CNCc1ccc(C[N@@H+](C)C2CCC(C)CC2)o1 ZINC000052345370 522117977 /nfs/dbraw/zinc/11/79/77/522117977.db2.gz OIKKHXYNEMMGJN-UHFFFAOYSA-N 1 3 250.386 3.010 10 0 CGAEHO C[N@@H+]1C[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000409429039 346605442 /nfs/dbraw/zinc/60/54/42/346605442.db2.gz HMADQGVNEBTSJJ-AQNXPRMDSA-N 1 3 292.426 3.421 10 0 CGAEHO C[N@H+]1C[C@@H]2CN(Cc3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000409429039 346605443 /nfs/dbraw/zinc/60/54/43/346605443.db2.gz HMADQGVNEBTSJJ-AQNXPRMDSA-N 1 3 292.426 3.421 10 0 CGAEHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@H]1CC2CCC1CC2 ZINC000517239799 296149344 /nfs/dbraw/zinc/14/93/44/296149344.db2.gz UFIXAZINUBCTES-LWXVXRBKSA-N 1 3 264.457 3.179 10 0 CGAEHO CCC[N@@H+]1CCCN(c2cc(C)nc3ccccc32)CC1 ZINC000301384215 373768512 /nfs/dbraw/zinc/76/85/12/373768512.db2.gz BREYQWGZIYEWSF-UHFFFAOYSA-N 1 3 283.419 3.465 10 0 CGAEHO CCC[N@H+]1CCCN(c2cc(C)nc3ccccc32)CC1 ZINC000301384215 373768515 /nfs/dbraw/zinc/76/85/15/373768515.db2.gz BREYQWGZIYEWSF-UHFFFAOYSA-N 1 3 283.419 3.465 10 0 CGAEHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000309814444 374198614 /nfs/dbraw/zinc/19/86/14/374198614.db2.gz XLILZAXXWNGGPK-LZBKUMLDSA-N 1 3 284.447 3.285 10 0 CGAEHO CC(C)=CCNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192921616 375803490 /nfs/dbraw/zinc/80/34/90/375803490.db2.gz VHLXKADECATLAZ-KRWDZBQOSA-N 1 3 258.409 3.064 10 0 CGAEHO CC(C)=CCNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192921616 375803493 /nfs/dbraw/zinc/80/34/93/375803493.db2.gz VHLXKADECATLAZ-KRWDZBQOSA-N 1 3 258.409 3.064 10 0 CGAEHO NC1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000020521639 171235262 /nfs/dbraw/zinc/23/52/62/171235262.db2.gz FWPTWGWIEQQNLD-UHFFFAOYSA-N 1 3 258.409 3.136 10 0 CGAEHO [NH3+]C1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC000020521639 171235263 /nfs/dbraw/zinc/23/52/63/171235263.db2.gz FWPTWGWIEQQNLD-UHFFFAOYSA-N 1 3 258.409 3.136 10 0 CGAEHO C[C@H]1CCCCN1C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000020555475 171249799 /nfs/dbraw/zinc/24/97/99/171249799.db2.gz UPZCRGLJFSBOPL-QCAJKXFRSA-N 1 3 276.468 3.405 10 0 CGAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2)C1 ZINC000037208810 173029982 /nfs/dbraw/zinc/02/99/82/173029982.db2.gz WGUIGEMLDXMWGK-WBVHZDCISA-N 1 3 260.425 3.287 10 0 CGAEHO CC1(C)CC[C@@]2(CCCNC2)[N@@H+]1Cc1ccccc1 ZINC000076697629 177060965 /nfs/dbraw/zinc/06/09/65/177060965.db2.gz DEWJJHBLKGFFRI-QGZVFWFLSA-N 1 3 258.409 3.183 10 0 CGAEHO CC1(C)CC[C@@]2(CCCNC2)[N@H+]1Cc1ccccc1 ZINC000076697629 177060967 /nfs/dbraw/zinc/06/09/67/177060967.db2.gz DEWJJHBLKGFFRI-QGZVFWFLSA-N 1 3 258.409 3.183 10 0 CGAEHO C[C@@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCNC1 ZINC000665239267 419089255 /nfs/dbraw/zinc/08/92/55/419089255.db2.gz PSBNSZZDHISCCT-DGADGQDISA-N 1 3 252.446 3.036 10 0 CGAEHO NCC[C@H]1CCCC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261551939 303389444 /nfs/dbraw/zinc/38/94/44/303389444.db2.gz BOKYPYLSGRBPPW-QWHCGFSZSA-N 1 3 260.372 3.015 10 0 CGAEHO NCC[C@H]1CCCC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000261551939 303389445 /nfs/dbraw/zinc/38/94/45/303389445.db2.gz BOKYPYLSGRBPPW-QWHCGFSZSA-N 1 3 260.372 3.015 10 0 CGAEHO [NH3+]CC[C@H]1CCCCN1C[C@H]1CCCC(F)(F)C1 ZINC000261551939 303389446 /nfs/dbraw/zinc/38/94/46/303389446.db2.gz BOKYPYLSGRBPPW-QWHCGFSZSA-N 1 3 260.372 3.015 10 0 CGAEHO CCNCc1coc(C[N@@H+]2CCCC[C@@H]2CC)c1 ZINC000052447689 520018205 /nfs/dbraw/zinc/01/82/05/520018205.db2.gz MMZIYIHQQCLNQO-AWEZNQCLSA-N 1 3 250.386 3.154 10 0 CGAEHO CCNCc1coc(C[N@H+]2CCCC[C@@H]2CC)c1 ZINC000052447689 520018212 /nfs/dbraw/zinc/01/82/12/520018212.db2.gz MMZIYIHQQCLNQO-AWEZNQCLSA-N 1 3 250.386 3.154 10 0 CGAEHO CC[NH+](CC)CCOc1ccc(Cl)cc1[C@@H](C)NC ZINC000050209656 520699641 /nfs/dbraw/zinc/69/96/41/520699641.db2.gz BNHSNUIYZPZGPP-GFCCVEGCSA-N 1 3 284.831 3.341 10 0 CGAEHO CCCN(CC)Cc1ccc(C[NH2+]CC(C)C)o1 ZINC000052448275 521614781 /nfs/dbraw/zinc/61/47/81/521614781.db2.gz PDFGRACUHAAAHL-UHFFFAOYSA-N 1 3 252.402 3.257 10 0 CGAEHO CCC[NH+](CCC)Cc1cc(CNCC)c(C)o1 ZINC000052416739 521649419 /nfs/dbraw/zinc/64/94/19/521649419.db2.gz NPJPLZWODUPRND-UHFFFAOYSA-N 1 3 252.402 3.320 10 0 CGAEHO CC[C@@H](C)C[N@H+](C)Cc1oc2ccccc2c1CN ZINC000052454222 521971356 /nfs/dbraw/zinc/97/13/56/521971356.db2.gz WIPCISUCQAOVJF-GFCCVEGCSA-N 1 3 260.381 3.369 10 0 CGAEHO CC[C@@H](C)C[N@@H+](C)Cc1oc2ccccc2c1CN ZINC000052454222 521971364 /nfs/dbraw/zinc/97/13/64/521971364.db2.gz WIPCISUCQAOVJF-GFCCVEGCSA-N 1 3 260.381 3.369 10 0 CGAEHO CCNCc1oc(C[N@H+](C)[C@@H](C)C(C)C)cc1C ZINC000052478697 520027918 /nfs/dbraw/zinc/02/79/18/520027918.db2.gz NSHHVFCVAQDARZ-ZDUSSCGKSA-N 1 3 252.402 3.174 10 0 CGAEHO CCNCc1oc(C[N@@H+](C)[C@@H](C)C(C)C)cc1C ZINC000052478697 520027923 /nfs/dbraw/zinc/02/79/23/520027923.db2.gz NSHHVFCVAQDARZ-ZDUSSCGKSA-N 1 3 252.402 3.174 10 0 CGAEHO CCC[C@@H](C)N(C)Cc1occc1C[NH2+]C(C)C ZINC000052480550 520649017 /nfs/dbraw/zinc/64/90/17/520649017.db2.gz IRRDDTGFRAUXDP-CYBMUJFWSA-N 1 3 252.402 3.398 10 0 CGAEHO CC[C@@H](C1CCCCC1)[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000054628621 522463787 /nfs/dbraw/zinc/46/37/87/522463787.db2.gz CTEISPNWFWLRIX-UYTSQGDYSA-N 1 3 250.430 3.299 10 0 CGAEHO CC[C@@H](C1CCCCC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000054628621 522463792 /nfs/dbraw/zinc/46/37/92/522463792.db2.gz CTEISPNWFWLRIX-UYTSQGDYSA-N 1 3 250.430 3.299 10 0 CGAEHO CN(CCC[C@@H]1CCCC[NH2+]1)Cc1cccs1 ZINC000050952641 522789013 /nfs/dbraw/zinc/78/90/13/522789013.db2.gz FECASUPMJOYREC-ZDUSSCGKSA-N 1 3 252.427 3.102 10 0 CGAEHO Cc1ccc([C@@H](C)N2[C@@H]3CCC[C@H]2CC([NH3+])C3)cc1 ZINC000054602805 525690838 /nfs/dbraw/zinc/69/08/38/525690838.db2.gz BUDGLFXYQSYFPA-HZTRTUMWSA-N 1 3 258.409 3.400 10 0 CGAEHO c1csc(CNC2[C@@H]3C[C@H]2C[N@@H+](Cc2ccccc2)C3)c1 ZINC000399624743 572531872 /nfs/dbraw/zinc/53/18/72/572531872.db2.gz ODDYRKFTUDWTBF-BYICEURKSA-N 1 3 298.455 3.358 10 0 CGAEHO c1csc(CNC2[C@@H]3C[C@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000399624743 572531876 /nfs/dbraw/zinc/53/18/76/572531876.db2.gz ODDYRKFTUDWTBF-BYICEURKSA-N 1 3 298.455 3.358 10 0 CGAEHO C[C@@H]1C[C@@H]2[NH2+]CCC[C@@H]2[C@H](C)N1Cc1ccccc1 ZINC000096897640 185125997 /nfs/dbraw/zinc/12/59/97/185125997.db2.gz PIVGQFAFEWGSHV-WTTBNOFXSA-N 1 3 258.409 3.038 10 0 CGAEHO C[C@@H]1C[C@@H]2NCCC[C@@H]2[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000096897640 185125998 /nfs/dbraw/zinc/12/59/98/185125998.db2.gz PIVGQFAFEWGSHV-WTTBNOFXSA-N 1 3 258.409 3.038 10 0 CGAEHO C[C@@H]1C[C@@H]2NCCC[C@@H]2[C@H](C)[N@H+]1Cc1ccccc1 ZINC000096897640 185126000 /nfs/dbraw/zinc/12/60/00/185126000.db2.gz PIVGQFAFEWGSHV-WTTBNOFXSA-N 1 3 258.409 3.038 10 0 CGAEHO c1ccc(C(c2ccccc2)N2CC3(C2)CC[NH2+]CC3)cc1 ZINC000003955977 368524636 /nfs/dbraw/zinc/52/46/36/368524636.db2.gz UTXZEUAKWJIUPW-UHFFFAOYSA-N 1 3 292.426 3.461 10 0 CGAEHO CN(C)Cc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000013526542 368655657 /nfs/dbraw/zinc/65/56/57/368655657.db2.gz IKVLVLHDFWSKRB-UHFFFAOYSA-N 1 3 276.424 3.003 10 0 CGAEHO C(CN1CCCC1)C[NH+]1CCC2(CCCC2)CC1 ZINC000119029150 370637699 /nfs/dbraw/zinc/63/76/99/370637699.db2.gz CCPNBZCIVSRRJK-UHFFFAOYSA-N 1 3 250.430 3.129 10 0 CGAEHO Cc1cc(N[C@@H](C)CCCC[NH3+])c2ccccc2n1 ZINC000311700041 374253570 /nfs/dbraw/zinc/25/35/70/374253570.db2.gz LVQQXQAYZQQXOZ-LBPRGKRZSA-N 1 3 257.381 3.473 10 0 CGAEHO CN1CCC[C@H]2C[N@H+](CCCc3ccccc3)CC[C@H]21 ZINC000248179628 377277831 /nfs/dbraw/zinc/27/78/31/377277831.db2.gz WEISWJJHJUAQEO-ZWKOTPCHSA-N 1 3 272.436 3.035 10 0 CGAEHO CN1CCC[C@H]2C[N@@H+](CCCc3ccccc3)CC[C@H]21 ZINC000248179628 377277837 /nfs/dbraw/zinc/27/78/37/377277837.db2.gz WEISWJJHJUAQEO-ZWKOTPCHSA-N 1 3 272.436 3.035 10 0 CGAEHO CC(C)[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000562958994 377378771 /nfs/dbraw/zinc/37/87/71/377378771.db2.gz IUAIYCWSNSESDB-XIRDDKMYSA-N 1 3 260.425 3.361 10 0 CGAEHO CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)c1ccccc1 ZINC000562958994 377378776 /nfs/dbraw/zinc/37/87/76/377378776.db2.gz IUAIYCWSNSESDB-XIRDDKMYSA-N 1 3 260.425 3.361 10 0 CGAEHO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251046056 393116417 /nfs/dbraw/zinc/11/64/17/393116417.db2.gz DTVWCPCIQTWDFJ-SQNIBIBYSA-N 1 3 272.436 3.224 10 0 CGAEHO CC[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251046056 393116420 /nfs/dbraw/zinc/11/64/20/393116420.db2.gz DTVWCPCIQTWDFJ-SQNIBIBYSA-N 1 3 272.436 3.224 10 0 CGAEHO CC[C@H](Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251046056 393116424 /nfs/dbraw/zinc/11/64/24/393116424.db2.gz DTVWCPCIQTWDFJ-SQNIBIBYSA-N 1 3 272.436 3.224 10 0 CGAEHO C[NH+](C)CCCNc1c2ccccc2nc2c1CCCC2 ZINC000005957717 170162001 /nfs/dbraw/zinc/16/20/01/170162001.db2.gz GVHSHGCXKFDOOA-UHFFFAOYSA-N 1 3 283.419 3.477 10 0 CGAEHO C[C@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCCNC1 ZINC000665239270 419088441 /nfs/dbraw/zinc/08/84/41/419088441.db2.gz PSBNSZZDHISCCT-ZVDSWSACSA-N 1 3 252.446 3.036 10 0 CGAEHO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1CN1CCCC1 ZINC000054559483 520120021 /nfs/dbraw/zinc/12/00/21/520120021.db2.gz OERNEYDTUSDCBH-BZUAXINKSA-N 1 3 252.446 3.133 10 0 CGAEHO CC(C)[NH2+]Cc1coc(CN2CCC[C@H](C)C2)c1 ZINC000052381473 519729047 /nfs/dbraw/zinc/72/90/47/519729047.db2.gz NXHYUNWPGKUMQR-ZDUSSCGKSA-N 1 3 250.386 3.010 10 0 CGAEHO CC(C)C[NH2+]Cc1ccc(CN2CCC[C@@H](C)C2)o1 ZINC000052381281 519747212 /nfs/dbraw/zinc/74/72/12/519747212.db2.gz CFLUKXLWINYYQI-CQSZACIVSA-N 1 3 264.413 3.257 10 0 CGAEHO CC[NH2+]Cc1sc2ccccc2c1CN(C)CC ZINC000052445784 520034169 /nfs/dbraw/zinc/03/41/69/520034169.db2.gz XIHCRKJLIDYXQH-UHFFFAOYSA-N 1 3 262.422 3.463 10 0 CGAEHO CNCc1occc1C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000052513669 522165411 /nfs/dbraw/zinc/16/54/11/522165411.db2.gz DYSLCRFFXWHOBR-GXTWGEPZSA-N 1 3 250.386 3.010 10 0 CGAEHO CNCc1occc1C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000052513669 522165416 /nfs/dbraw/zinc/16/54/16/522165416.db2.gz DYSLCRFFXWHOBR-GXTWGEPZSA-N 1 3 250.386 3.010 10 0 CGAEHO CC[C@@H]1CCCC[N@@H+]1Cc1cc(CNC)c(C)o1 ZINC000052447419 523177808 /nfs/dbraw/zinc/17/78/08/523177808.db2.gz MBZXKPCHILJFGN-CQSZACIVSA-N 1 3 250.386 3.072 10 0 CGAEHO CC[C@@H]1CCCC[N@H+]1Cc1cc(CNC)c(C)o1 ZINC000052447419 523177818 /nfs/dbraw/zinc/17/78/18/523177818.db2.gz MBZXKPCHILJFGN-CQSZACIVSA-N 1 3 250.386 3.072 10 0 CGAEHO CC[C@H](C)C[N@H+](C)Cc1ccccc1CNC1CC1 ZINC000052454430 523869244 /nfs/dbraw/zinc/86/92/44/523869244.db2.gz RMACGFZGVUUIPE-AWEZNQCLSA-N 1 3 260.425 3.417 10 0 CGAEHO CC[C@H](C)C[N@@H+](C)Cc1ccccc1CNC1CC1 ZINC000052454430 523869249 /nfs/dbraw/zinc/86/92/49/523869249.db2.gz RMACGFZGVUUIPE-AWEZNQCLSA-N 1 3 260.425 3.417 10 0 CGAEHO [NH3+][C@@H]1CCN(Cc2ccccc2)[C@H]1C1CCCCC1 ZINC000096950668 185139806 /nfs/dbraw/zinc/13/98/06/185139806.db2.gz JCDHYLMUKNECNW-SJORKVTESA-N 1 3 258.409 3.169 10 0 CGAEHO C[C@@H]1C[N@@H+]([C@@H]2CCCc3sccc32)C[C@@]1(C)CN ZINC000310923410 374229715 /nfs/dbraw/zinc/22/97/15/374229715.db2.gz RQJVXIWODQLREI-UXIGCNINSA-N 1 3 264.438 3.042 10 0 CGAEHO C[C@@H]1C[N@H+]([C@@H]2CCCc3sccc32)C[C@@]1(C)CN ZINC000310923410 374229717 /nfs/dbraw/zinc/22/97/17/374229717.db2.gz RQJVXIWODQLREI-UXIGCNINSA-N 1 3 264.438 3.042 10 0 CGAEHO C[C@H](N[C@@H](c1ccccc1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000562958659 377378164 /nfs/dbraw/zinc/37/81/64/377378164.db2.gz JRNOXTCSLCMJTO-XKQJLSEDSA-N 1 3 258.409 3.115 10 0 CGAEHO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)[C@@H]1CCCNC1 ZINC000562958659 377378176 /nfs/dbraw/zinc/37/81/76/377378176.db2.gz JRNOXTCSLCMJTO-XKQJLSEDSA-N 1 3 258.409 3.115 10 0 CGAEHO CC[C@H](c1cccc(C)c1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000388299935 379884043 /nfs/dbraw/zinc/88/40/43/379884043.db2.gz AGZRZJDBZHQWHE-DJIMGWMZSA-N 1 3 260.425 3.363 10 0 CGAEHO CC[C@H](c1cccc(C)c1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000388299935 379884051 /nfs/dbraw/zinc/88/40/51/379884051.db2.gz AGZRZJDBZHQWHE-DJIMGWMZSA-N 1 3 260.425 3.363 10 0 CGAEHO C[C@H](NCCc1ccc(Cl)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000400528106 379951223 /nfs/dbraw/zinc/95/12/23/379951223.db2.gz QTUOEYVDTPJXME-CMPLNLGQSA-N 1 3 287.234 3.124 10 0 CGAEHO CN(CCCOc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000234291197 542308996 /nfs/dbraw/zinc/30/89/96/542308996.db2.gz MGWATNCMYKYHHH-HNNXBMFYSA-N 1 3 296.842 3.183 10 0 CGAEHO C[C@H](Cc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000089142432 165198257 /nfs/dbraw/zinc/19/82/57/165198257.db2.gz XDQHEVOTOXGOFV-XNRPHZJLSA-N 1 3 280.843 3.378 10 0 CGAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+]CC2CCCC2)C1 ZINC000037257437 173068803 /nfs/dbraw/zinc/06/88/03/173068803.db2.gz GZMLOAUFZAUYAQ-ZBFHGGJFSA-N 1 3 252.446 3.277 10 0 CGAEHO C[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000400339337 274518640 /nfs/dbraw/zinc/51/86/40/274518640.db2.gz FDFSPPKPQOGXSG-DZKIICNBSA-N 1 3 268.404 3.488 10 0 CGAEHO C[C@@H]([NH2+]CC(C)(C)C1=CCCC1)[C@H]1CCCNC1 ZINC000570708813 322280293 /nfs/dbraw/zinc/28/02/93/322280293.db2.gz UEJGPPVIQHAXOL-KGLIPLIRSA-N 1 3 250.430 3.101 10 0 CGAEHO CCC[NH2+]Cc1oc(CN(CC)CCC)cc1C ZINC000052448695 519973658 /nfs/dbraw/zinc/97/36/58/519973658.db2.gz ONAWJQIOGXSHDP-UHFFFAOYSA-N 1 3 252.402 3.320 10 0 CGAEHO CCN(CCCC[NH2+]C(C)(C)C)Cc1ccco1 ZINC000052570500 521005183 /nfs/dbraw/zinc/00/51/83/521005183.db2.gz MYYTZZRFKPUQPQ-UHFFFAOYSA-N 1 3 252.402 3.270 10 0 CGAEHO CC(C)(C)[NH2+]Cc1ccoc1CN1CCCCC1 ZINC000052421189 518765976 /nfs/dbraw/zinc/76/59/76/518765976.db2.gz GSCMOUMWXAHRJS-UHFFFAOYSA-N 1 3 250.386 3.154 10 0 CGAEHO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1CN(C)C(C)C ZINC000054559591 520121846 /nfs/dbraw/zinc/12/18/46/520121846.db2.gz NVWQNZDDSHHRPH-ARFHVFGLSA-N 1 3 254.462 3.377 10 0 CGAEHO C[N@H+]([C@H](CNC1CC1)c1ccccc1)C1CCCC1 ZINC000052445045 523626328 /nfs/dbraw/zinc/62/63/28/523626328.db2.gz PIUJFRSJZOJBGC-QGZVFWFLSA-N 1 3 258.409 3.354 10 0 CGAEHO C[N@@H+]([C@H](CNC1CC1)c1ccccc1)C1CCCC1 ZINC000052445045 523626334 /nfs/dbraw/zinc/62/63/34/523626334.db2.gz PIUJFRSJZOJBGC-QGZVFWFLSA-N 1 3 258.409 3.354 10 0 CGAEHO Cc1occc1CN(C)[C@H](C)CCC[NH2+]CC(C)C ZINC000052346585 526827376 /nfs/dbraw/zinc/82/73/76/526827376.db2.gz MFTQEVQISLIVQX-CQSZACIVSA-N 1 3 266.429 3.434 10 0 CGAEHO CC(C)[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000400485567 529125679 /nfs/dbraw/zinc/12/56/79/529125679.db2.gz XJAZPHQVWRSSTR-BJJXKVORSA-N 1 3 264.388 3.110 10 0 CGAEHO CCN1CC[C@@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000037644358 369095601 /nfs/dbraw/zinc/09/56/01/369095601.db2.gz OIJUTKHGSXNHKP-KTAKPFMOSA-N 1 3 276.399 3.003 10 0 CGAEHO CC(C)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC000053659647 369488156 /nfs/dbraw/zinc/48/81/56/369488156.db2.gz JSHGXRUZULMGQF-UHFFFAOYSA-N 1 3 264.388 3.036 10 0 CGAEHO C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)[C@H]1CC[NH2+]C1 ZINC000400473655 296150837 /nfs/dbraw/zinc/15/08/37/296150837.db2.gz YWRXRYFFRMCNHD-IYOUNJFTSA-N 1 3 272.436 3.214 10 0 CGAEHO CC(C)N1CC[C@@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000089576837 541952811 /nfs/dbraw/zinc/95/28/11/541952811.db2.gz NBIKHGPUILIVFT-GPANFISMSA-N 1 3 252.446 3.133 10 0 CGAEHO FC1(F)CCC[C@H]1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000336187471 375754961 /nfs/dbraw/zinc/75/49/61/375754961.db2.gz BXLGUYFSHMOJRI-GJZGRUSLSA-N 1 3 286.410 3.372 10 0 CGAEHO Cc1ccccc1[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000251187905 377575959 /nfs/dbraw/zinc/57/59/59/377575959.db2.gz YHHWHCDHNCEDAZ-FPCVCCKLSA-N 1 3 258.409 3.271 10 0 CGAEHO Cc1ccccc1[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000251187905 377575966 /nfs/dbraw/zinc/57/59/66/377575966.db2.gz YHHWHCDHNCEDAZ-FPCVCCKLSA-N 1 3 258.409 3.271 10 0 CGAEHO C[C@H](NCc1cccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000582354458 378306326 /nfs/dbraw/zinc/30/63/26/378306326.db2.gz MFJZSUGTCKEUGV-GOEBONIOSA-N 1 3 268.404 3.318 10 0 CGAEHO C[C@H]([NH2+]Cc1cccc2ccccc21)[C@@H]1CCCNC1 ZINC000582354458 378306334 /nfs/dbraw/zinc/30/63/34/378306334.db2.gz MFJZSUGTCKEUGV-GOEBONIOSA-N 1 3 268.404 3.318 10 0 CGAEHO CC[C@H](c1ccsc1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000394387892 392938454 /nfs/dbraw/zinc/93/84/54/392938454.db2.gz YFXOVDJADSBHIB-MRVWCRGKSA-N 1 3 252.427 3.116 10 0 CGAEHO CC[C@H](c1ccsc1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000394387892 392938455 /nfs/dbraw/zinc/93/84/55/392938455.db2.gz YFXOVDJADSBHIB-MRVWCRGKSA-N 1 3 252.427 3.116 10 0 CGAEHO CC[C@H](c1ccsc1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000394387892 392938458 /nfs/dbraw/zinc/93/84/58/392938458.db2.gz YFXOVDJADSBHIB-MRVWCRGKSA-N 1 3 252.427 3.116 10 0 CGAEHO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)c(C)c1 ZINC000678738534 543552679 /nfs/dbraw/zinc/55/26/79/543552679.db2.gz IKVXOTPNSXQADN-JKSUJKDBSA-N 1 3 260.425 3.438 10 0 CGAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc[nH]c2)CC1 ZINC000093844563 165338332 /nfs/dbraw/zinc/33/83/32/165338332.db2.gz DQKUWBBTNXRLCZ-INIZCTEOSA-N 1 3 289.467 3.491 10 0 CGAEHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cc[nH]c2)CC1 ZINC000093844563 165338334 /nfs/dbraw/zinc/33/83/34/165338334.db2.gz DQKUWBBTNXRLCZ-INIZCTEOSA-N 1 3 289.467 3.491 10 0 CGAEHO C[N@H+](Cc1cccc(F)c1)[C@@H](CN)C1CCCCC1 ZINC000020545700 171243487 /nfs/dbraw/zinc/24/34/87/171243487.db2.gz SKMZJFHUQGVAQN-INIZCTEOSA-N 1 3 264.388 3.165 10 0 CGAEHO C[N@@H+](Cc1cccc(F)c1)[C@@H](CN)C1CCCCC1 ZINC000020545700 171243489 /nfs/dbraw/zinc/24/34/89/171243489.db2.gz SKMZJFHUQGVAQN-INIZCTEOSA-N 1 3 264.388 3.165 10 0 CGAEHO CC[N@H+](Cc1cccc(Br)c1)C1CCNCC1 ZINC000037538099 173257524 /nfs/dbraw/zinc/25/75/24/173257524.db2.gz RRRGDCHSSBQLTQ-UHFFFAOYSA-N 1 3 297.240 3.023 10 0 CGAEHO CC[N@@H+](Cc1cccc(Br)c1)C1CCNCC1 ZINC000037538099 173257526 /nfs/dbraw/zinc/25/75/26/173257526.db2.gz RRRGDCHSSBQLTQ-UHFFFAOYSA-N 1 3 297.240 3.023 10 0 CGAEHO CC[C@H](c1ccc(F)cc1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000382507646 336091904 /nfs/dbraw/zinc/09/19/04/336091904.db2.gz NGOIBGYTBYMJKP-DAXOMENPSA-N 1 3 264.388 3.194 10 0 CGAEHO CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000382507646 336091905 /nfs/dbraw/zinc/09/19/05/336091905.db2.gz NGOIBGYTBYMJKP-DAXOMENPSA-N 1 3 264.388 3.194 10 0 CGAEHO CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000382507646 336091907 /nfs/dbraw/zinc/09/19/07/336091907.db2.gz NGOIBGYTBYMJKP-DAXOMENPSA-N 1 3 264.388 3.194 10 0 CGAEHO CCCNCc1occc1C[N@H+](CCC)C(C)C ZINC000052450324 519971876 /nfs/dbraw/zinc/97/18/76/519971876.db2.gz OWUNKHOSUGTYTB-UHFFFAOYSA-N 1 3 252.402 3.400 10 0 CGAEHO CCCNCc1occc1C[N@@H+](CCC)C(C)C ZINC000052450324 519971881 /nfs/dbraw/zinc/97/18/81/519971881.db2.gz OWUNKHOSUGTYTB-UHFFFAOYSA-N 1 3 252.402 3.400 10 0 CGAEHO CC(C)(C)[NH2+]Cc1ccccc1CN1CCSCC1 ZINC000052443312 518766010 /nfs/dbraw/zinc/76/60/10/518766010.db2.gz UJRRMJUMKNREJI-UHFFFAOYSA-N 1 3 278.465 3.124 10 0 CGAEHO CC(C)CN(C(C)C)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023342 519707781 /nfs/dbraw/zinc/70/77/81/519707781.db2.gz BDKLLGIMTLDRBF-HNNXBMFYSA-N 1 3 261.413 3.420 10 0 CGAEHO CC(C)NC[C@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000053011173 519725174 /nfs/dbraw/zinc/72/51/74/519725174.db2.gz OCXBLKMSBOEJCS-OAHLLOKOSA-N 1 3 252.446 3.419 10 0 CGAEHO CC(C)NC[C@H]1CC[N@H+](C2CCCCCCC2)C1 ZINC000053011173 519725176 /nfs/dbraw/zinc/72/51/76/519725176.db2.gz OCXBLKMSBOEJCS-OAHLLOKOSA-N 1 3 252.446 3.419 10 0 CGAEHO CCCNCc1coc(C[NH+](CCC)CCC)c1 ZINC000052416811 519964839 /nfs/dbraw/zinc/96/48/39/519964839.db2.gz ZTQAVENIZMKVHP-UHFFFAOYSA-N 1 3 252.402 3.401 10 0 CGAEHO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1CN1CCCC1 ZINC000054559482 520220136 /nfs/dbraw/zinc/22/01/36/520220136.db2.gz OERNEYDTUSDCBH-XHSDSOJGSA-N 1 3 252.446 3.133 10 0 CGAEHO C[N@@H+](Cc1c2ccccc2sc1CN)CC1CC1 ZINC000052483622 523160464 /nfs/dbraw/zinc/16/04/64/523160464.db2.gz FIGNCKLTFNFWPO-UHFFFAOYSA-N 1 3 260.406 3.202 10 0 CGAEHO C[N@H+](Cc1c2ccccc2sc1CN)CC1CC1 ZINC000052483622 523160475 /nfs/dbraw/zinc/16/04/75/523160475.db2.gz FIGNCKLTFNFWPO-UHFFFAOYSA-N 1 3 260.406 3.202 10 0 CGAEHO CC[C@H]1CC[N@@H+](C2CCCCCC2)C[C@H](C)CN1 ZINC000049665834 523165927 /nfs/dbraw/zinc/16/59/27/523165927.db2.gz YHOCMLVGNSTKDO-CABCVRRESA-N 1 3 252.446 3.419 10 0 CGAEHO CC[C@H]1CC[N@H+](C2CCCCCC2)C[C@H](C)CN1 ZINC000049665834 523165934 /nfs/dbraw/zinc/16/59/34/523165934.db2.gz YHOCMLVGNSTKDO-CABCVRRESA-N 1 3 252.446 3.419 10 0 CGAEHO CC(C)Cc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000131758931 528649771 /nfs/dbraw/zinc/64/97/71/528649771.db2.gz CCOINQJASBKZKE-RHSMWYFYSA-N 1 3 260.425 3.054 10 0 CGAEHO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000629531489 350703767 /nfs/dbraw/zinc/70/37/67/350703767.db2.gz MWVJYJOZPRZIAW-VXGBXAGGSA-N 1 3 262.388 3.036 10 0 CGAEHO CCc1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000301765161 201184856 /nfs/dbraw/zinc/18/48/56/201184856.db2.gz BDNDXPLEQXBBMY-FZKQIMNGSA-N 1 3 283.419 3.184 10 0 CGAEHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)C1 ZINC000224994372 376292366 /nfs/dbraw/zinc/29/23/66/376292366.db2.gz MLADNOLBOGJIRM-YLFCFFPRSA-N 1 3 266.473 3.379 10 0 CGAEHO CN(CCCOc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000234291158 542308641 /nfs/dbraw/zinc/30/86/41/542308641.db2.gz MGWATNCMYKYHHH-OAHLLOKOSA-N 1 3 296.842 3.183 10 0 CGAEHO Cc1cc(NC[C@@H]2CCCC[NH2+]2)c2ccccc2n1 ZINC000044493483 397618762 /nfs/dbraw/zinc/61/87/62/397618762.db2.gz JZJCUDXJLXXQDJ-ZDUSSCGKSA-N 1 3 255.365 3.097 10 0 CGAEHO Cc1ccc(OCCCN2CCCC[C@H]2CC[NH3+])cc1C ZINC000070149712 165059247 /nfs/dbraw/zinc/05/92/47/165059247.db2.gz FJIUXAUFUJPMIH-KRWDZBQOSA-N 1 3 290.451 3.276 10 0 CGAEHO Cc1ccccc1CNCc1ccccc1C[NH+](C)C ZINC000020128557 171015377 /nfs/dbraw/zinc/01/53/77/171015377.db2.gz OQJLUOUFGWEMMT-UHFFFAOYSA-N 1 3 268.404 3.346 10 0 CGAEHO C[C@@H]([NH2+]C1CCC(C2CCC2)CC1)[C@H]1CCCNC1 ZINC000665284055 419104847 /nfs/dbraw/zinc/10/48/47/419104847.db2.gz ZNJYSSPUPPEMLW-AKBUMOGYSA-N 1 3 264.457 3.323 10 0 CGAEHO CC(C)C[NH2+]CCCCN1CCc2sccc2C1 ZINC000052382864 519743265 /nfs/dbraw/zinc/74/32/65/519743265.db2.gz AJPZVCYVEHNZHX-UHFFFAOYSA-N 1 3 266.454 3.132 10 0 CGAEHO CCC[N@H+](Cc1cc(CNCC)c(C)o1)C(C)C ZINC000052450269 521681142 /nfs/dbraw/zinc/68/11/42/521681142.db2.gz CESSFYDXDRCIFG-UHFFFAOYSA-N 1 3 252.402 3.318 10 0 CGAEHO CCC[N@@H+](Cc1cc(CNCC)c(C)o1)C(C)C ZINC000052450269 521681144 /nfs/dbraw/zinc/68/11/44/521681144.db2.gz CESSFYDXDRCIFG-UHFFFAOYSA-N 1 3 252.402 3.318 10 0 CGAEHO CC(C)(C)[NH2+]Cc1ccoc1CN1C[C@H]2CC[C@@H]1C2 ZINC000052543801 518766516 /nfs/dbraw/zinc/76/65/16/518766516.db2.gz DVMOKRZJHLJFTK-GXTWGEPZSA-N 1 3 262.397 3.152 10 0 CGAEHO C[NH2+][C@@H]1CC[C@H](C(C)C)C[C@H]1CN1CCCCC1 ZINC000054559602 522398455 /nfs/dbraw/zinc/39/84/55/522398455.db2.gz KCVJLUKYKUYAEA-HRCADAONSA-N 1 3 252.446 3.133 10 0 CGAEHO Cc1ccc([C@@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000049159582 525744530 /nfs/dbraw/zinc/74/45/30/525744530.db2.gz GWBIJFCUXKJZQQ-MGPQQGTHSA-N 1 3 266.454 3.437 10 0 CGAEHO Cc1ccc([C@@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000049159582 525744536 /nfs/dbraw/zinc/74/45/36/525744536.db2.gz GWBIJFCUXKJZQQ-MGPQQGTHSA-N 1 3 266.454 3.437 10 0 CGAEHO C[C@H]1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCCCN1C ZINC000052206107 526255336 /nfs/dbraw/zinc/25/53/36/526255336.db2.gz UCZWZECWKLGNKD-XHSDSOJGSA-N 1 3 252.446 3.277 10 0 CGAEHO C[C@@H]1CCCCN1CCC[NH2+]CCc1ccccc1 ZINC000019912941 634375456 /nfs/dbraw/zinc/37/54/56/634375456.db2.gz VVKQMQIPRPTNMU-MRXNPFEDSA-N 1 3 260.425 3.083 10 0 CGAEHO C[C@@H]1C[C@H]2[NH2+]CCC[C@H]2[C@H](C)N1Cc1ccccc1 ZINC000096897637 185126140 /nfs/dbraw/zinc/12/61/40/185126140.db2.gz PIVGQFAFEWGSHV-YQFWSFKMSA-N 1 3 258.409 3.038 10 0 CGAEHO C[C@@H]1C[C@H]2NCCC[C@H]2[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000096897637 185126142 /nfs/dbraw/zinc/12/61/42/185126142.db2.gz PIVGQFAFEWGSHV-YQFWSFKMSA-N 1 3 258.409 3.038 10 0 CGAEHO C[C@@H]1C[C@H]2NCCC[C@H]2[C@H](C)[N@H+]1Cc1ccccc1 ZINC000096897637 185126144 /nfs/dbraw/zinc/12/61/44/185126144.db2.gz PIVGQFAFEWGSHV-YQFWSFKMSA-N 1 3 258.409 3.038 10 0 CGAEHO C[C@@H]1C[C@H]2[NH2+]CCC[C@@H]2[C@H](C)N1Cc1ccccc1 ZINC000096897639 185126220 /nfs/dbraw/zinc/12/62/20/185126220.db2.gz PIVGQFAFEWGSHV-YALNPMBYSA-N 1 3 258.409 3.038 10 0 CGAEHO C[C@@H]1C[C@H]2NCCC[C@@H]2[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000096897639 185126221 /nfs/dbraw/zinc/12/62/21/185126221.db2.gz PIVGQFAFEWGSHV-YALNPMBYSA-N 1 3 258.409 3.038 10 0 CGAEHO C[C@@H]1C[C@H]2NCCC[C@@H]2[C@H](C)[N@H+]1Cc1ccccc1 ZINC000096897639 185126222 /nfs/dbraw/zinc/12/62/22/185126222.db2.gz PIVGQFAFEWGSHV-YALNPMBYSA-N 1 3 258.409 3.038 10 0 CGAEHO NCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261551937 295237427 /nfs/dbraw/zinc/23/74/27/295237427.db2.gz BOKYPYLSGRBPPW-OLZOCXBDSA-N 1 3 260.372 3.015 10 0 CGAEHO NCC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000261551937 295237428 /nfs/dbraw/zinc/23/74/28/295237428.db2.gz BOKYPYLSGRBPPW-OLZOCXBDSA-N 1 3 260.372 3.015 10 0 CGAEHO [NH3+]CC[C@@H]1CCCCN1C[C@@H]1CCCC(F)(F)C1 ZINC000261551937 295237429 /nfs/dbraw/zinc/23/74/29/295237429.db2.gz BOKYPYLSGRBPPW-OLZOCXBDSA-N 1 3 260.372 3.015 10 0 CGAEHO c1cc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC000374603695 379466038 /nfs/dbraw/zinc/46/60/38/379466038.db2.gz LEMLFVYHFBSPEG-GBESFXJTSA-N 1 3 295.430 3.015 10 0 CGAEHO c1cc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC000374603695 379466045 /nfs/dbraw/zinc/46/60/45/379466045.db2.gz LEMLFVYHFBSPEG-GBESFXJTSA-N 1 3 295.430 3.015 10 0 CGAEHO c1cc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC000374603695 379466055 /nfs/dbraw/zinc/46/60/55/379466055.db2.gz LEMLFVYHFBSPEG-GBESFXJTSA-N 1 3 295.430 3.015 10 0 CGAEHO CCCn1ccc(C[NH2+]CCCN2CCC(C)CC2)c1 ZINC000091009857 165249461 /nfs/dbraw/zinc/24/94/61/165249461.db2.gz QPVWYTJEACFYGN-UHFFFAOYSA-N 1 3 277.456 3.110 10 0 CGAEHO CCN(CC)CCC[NH2+]Cc1cn(CC)c2ccccc12 ZINC000020968481 171283049 /nfs/dbraw/zinc/28/30/49/171283049.db2.gz UFELQQVIIMYOGV-UHFFFAOYSA-N 1 3 287.451 3.483 10 0 CGAEHO CCCC1CCC([N@H+]2[C@@H]3CC[C@H]2CC(N)C3)CC1 ZINC000040748941 174393851 /nfs/dbraw/zinc/39/38/51/174393851.db2.gz VMZLEHJNIDQMAD-SVFSVNPNSA-N 1 3 250.430 3.299 10 0 CGAEHO CCCC1CCC([N@@H+]2[C@@H]3CC[C@H]2CC(N)C3)CC1 ZINC000040748941 174393852 /nfs/dbraw/zinc/39/38/52/174393852.db2.gz VMZLEHJNIDQMAD-SVFSVNPNSA-N 1 3 250.430 3.299 10 0 CGAEHO Cc1cccc2c1ncc(C)c2N1CCC2(CC[NH2+]2)CC1 ZINC000335015797 281308143 /nfs/dbraw/zinc/30/81/43/281308143.db2.gz BVOQUFOAMPVGTJ-UHFFFAOYSA-N 1 3 281.403 3.184 10 0 CGAEHO C[C@H]([NH2+]CC(C)(C)C1=CCCC1)[C@H]1CCCNC1 ZINC000570708812 322280279 /nfs/dbraw/zinc/28/02/79/322280279.db2.gz UEJGPPVIQHAXOL-KBPBESRZSA-N 1 3 250.430 3.101 10 0 CGAEHO CCCC[N@H+](CC)Cc1cc(CNC2CC2)oc1C ZINC000052418850 520479162 /nfs/dbraw/zinc/47/91/62/520479162.db2.gz QNJVSBLOSVDQTN-UHFFFAOYSA-N 1 3 264.413 3.462 10 0 CGAEHO CCCC[N@@H+](CC)Cc1cc(CNC2CC2)oc1C ZINC000052418850 520479171 /nfs/dbraw/zinc/47/91/71/520479171.db2.gz QNJVSBLOSVDQTN-UHFFFAOYSA-N 1 3 264.413 3.462 10 0 CGAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CCN1 ZINC000423367268 533967071 /nfs/dbraw/zinc/96/70/71/533967071.db2.gz DIOFBSAZNTWZIS-KBXIAJHMSA-N 1 3 252.446 3.321 10 0 CGAEHO CN(C)CCOc1ccc(C[NH2+]C(C)(C)C)cc1Cl ZINC000062730207 521800004 /nfs/dbraw/zinc/80/00/04/521800004.db2.gz DHPGLSKHLPTMKC-UHFFFAOYSA-N 1 3 284.831 3.169 10 0 CGAEHO CC[C@H](C1CCCCC1)[N@@H+]1CC[C@H](NC)[C@H](C)C1 ZINC000052340484 522086289 /nfs/dbraw/zinc/08/62/89/522086289.db2.gz TZPWJTLWPVGJJR-VNQPRFMTSA-N 1 3 252.446 3.275 10 0 CGAEHO CC[C@H](C1CCCCC1)[N@H+]1CC[C@H](NC)[C@H](C)C1 ZINC000052340484 522086295 /nfs/dbraw/zinc/08/62/95/522086295.db2.gz TZPWJTLWPVGJJR-VNQPRFMTSA-N 1 3 252.446 3.275 10 0 CGAEHO C[C@H]1CCCN1Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052375987 524119745 /nfs/dbraw/zinc/11/97/45/524119745.db2.gz WZKHPKVWVKFYDD-LBPRGKRZSA-N 1 3 250.386 3.152 10 0 CGAEHO CN1CCC[C@@H]2C[N@H+](CCCc3ccccc3)CC[C@H]21 ZINC000248179625 377277637 /nfs/dbraw/zinc/27/76/37/377277637.db2.gz WEISWJJHJUAQEO-QZTJIDSGSA-N 1 3 272.436 3.035 10 0 CGAEHO CN1CCC[C@@H]2C[N@@H+](CCCc3ccccc3)CC[C@H]21 ZINC000248179625 377277642 /nfs/dbraw/zinc/27/76/42/377277642.db2.gz WEISWJJHJUAQEO-QZTJIDSGSA-N 1 3 272.436 3.035 10 0 CGAEHO C[C@@H]1C[N@@H+]([C@H]2CCSc3ccccc32)C[C@@]1(C)CN ZINC000388256442 379882630 /nfs/dbraw/zinc/88/26/30/379882630.db2.gz JRXUBWNUBYVCJW-IVMMDQJWSA-N 1 3 276.449 3.140 10 0 CGAEHO C[C@@H]1C[N@H+]([C@H]2CCSc3ccccc32)C[C@@]1(C)CN ZINC000388256442 379882634 /nfs/dbraw/zinc/88/26/34/379882634.db2.gz JRXUBWNUBYVCJW-IVMMDQJWSA-N 1 3 276.449 3.140 10 0 CGAEHO C[C@@H]1CN([C@H]2CCSc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000388256442 379882637 /nfs/dbraw/zinc/88/26/37/379882637.db2.gz JRXUBWNUBYVCJW-IVMMDQJWSA-N 1 3 276.449 3.140 10 0 CGAEHO C[C@H](CC1CCCCC1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000667030924 542838598 /nfs/dbraw/zinc/83/85/98/542838598.db2.gz FPERNNZGLUMERO-IIAWOOMASA-N 1 3 252.446 3.323 10 0 CGAEHO CC1CCC([NH2+]Cc2ccccc2CN(C)C)CC1 ZINC000020128563 171015702 /nfs/dbraw/zinc/01/57/02/171015702.db2.gz VXGYEBWJBXUSJE-UHFFFAOYSA-N 1 3 260.425 3.417 10 0 CGAEHO CCCc1ccc([C@@H](C)N2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071141785 176039551 /nfs/dbraw/zinc/03/95/51/176039551.db2.gz GYLDSHWJIQSDIQ-GDBMZVCRSA-N 1 3 260.425 3.241 10 0 CGAEHO C[C@@H]([NH2+]CC(C)(C)C1=CCCC1)[C@@H]1CCCNC1 ZINC000570708815 322280212 /nfs/dbraw/zinc/28/02/12/322280212.db2.gz UEJGPPVIQHAXOL-ZIAGYGMSSA-N 1 3 250.430 3.101 10 0 CGAEHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000580541204 335250450 /nfs/dbraw/zinc/25/04/50/335250450.db2.gz NIERWRUOKGDLKO-WCVJEAGWSA-N 1 3 252.446 3.179 10 0 CGAEHO CCC[NH+](CCC)Cc1occc1CNC(C)C ZINC000052416734 521648974 /nfs/dbraw/zinc/64/89/74/521648974.db2.gz ASGWPISVAQBAJU-UHFFFAOYSA-N 1 3 252.402 3.400 10 0 CGAEHO CC(C)[NH2+]Cc1coc(CN2CCCC[C@H]2C)c1 ZINC000052378915 519728530 /nfs/dbraw/zinc/72/85/30/519728530.db2.gz FRQSZTBWLGRJFD-CYBMUJFWSA-N 1 3 250.386 3.152 10 0 CGAEHO C[NH2+]Cc1cccc(CN(C)Cc2cccs2)c1 ZINC000052456134 522127057 /nfs/dbraw/zinc/12/70/57/522127057.db2.gz WTTUNVOPCMKPRC-UHFFFAOYSA-N 1 3 260.406 3.100 10 0 CGAEHO CNCc1ccoc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000052482255 522142718 /nfs/dbraw/zinc/14/27/18/522142718.db2.gz GKRHHBJSJKMHTM-UKRRQHHQSA-N 1 3 262.397 3.011 10 0 CGAEHO CNCc1ccoc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000052482255 522142728 /nfs/dbraw/zinc/14/27/28/522142728.db2.gz GKRHHBJSJKMHTM-UKRRQHHQSA-N 1 3 262.397 3.011 10 0 CGAEHO CC[C@]1(CN2CCC3(CCCCC3)CC2)CC[NH2+]C1 ZINC000062912475 523607208 /nfs/dbraw/zinc/60/72/08/523607208.db2.gz WOUFDYWMITVGTH-INIZCTEOSA-N 1 3 264.457 3.422 10 0 CGAEHO Cc1oc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)cc1CN ZINC000052546687 526768840 /nfs/dbraw/zinc/76/88/40/526768840.db2.gz GBCJRKUOALELAY-XHDPSFHLSA-N 1 3 250.386 3.057 10 0 CGAEHO Cc1oc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)cc1CN ZINC000052546687 526768843 /nfs/dbraw/zinc/76/88/43/526768843.db2.gz GBCJRKUOALELAY-XHDPSFHLSA-N 1 3 250.386 3.057 10 0 CGAEHO [NH3+][C@H]1CCN(Cc2ccccc2)CC12CCCCC2 ZINC000096950673 185140024 /nfs/dbraw/zinc/14/00/24/185140024.db2.gz XFQLDVQWRWGUPP-INIZCTEOSA-N 1 3 258.409 3.170 10 0 CGAEHO N[C@H]1CC[N@H+](Cc2ccccc2)CC12CCCCC2 ZINC000096950673 185140025 /nfs/dbraw/zinc/14/00/25/185140025.db2.gz XFQLDVQWRWGUPP-INIZCTEOSA-N 1 3 258.409 3.170 10 0 CGAEHO N[C@H]1CC[N@@H+](Cc2ccccc2)CC12CCCCC2 ZINC000096950673 185140026 /nfs/dbraw/zinc/14/00/26/185140026.db2.gz XFQLDVQWRWGUPP-INIZCTEOSA-N 1 3 258.409 3.170 10 0 CGAEHO [NH3+][C@@H]1CCN(Cc2ccccc2)CC12CCCCC2 ZINC000096950674 185140045 /nfs/dbraw/zinc/14/00/45/185140045.db2.gz XFQLDVQWRWGUPP-MRXNPFEDSA-N 1 3 258.409 3.170 10 0 CGAEHO N[C@@H]1CC[N@H+](Cc2ccccc2)CC12CCCCC2 ZINC000096950674 185140046 /nfs/dbraw/zinc/14/00/46/185140046.db2.gz XFQLDVQWRWGUPP-MRXNPFEDSA-N 1 3 258.409 3.170 10 0 CGAEHO N[C@@H]1CC[N@@H+](Cc2ccccc2)CC12CCCCC2 ZINC000096950674 185140047 /nfs/dbraw/zinc/14/00/47/185140047.db2.gz XFQLDVQWRWGUPP-MRXNPFEDSA-N 1 3 258.409 3.170 10 0 CGAEHO C[N@@H+]1C[C@@H]2CN(Cc3ccccc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000409429044 346604888 /nfs/dbraw/zinc/60/48/88/346604888.db2.gz HMADQGVNEBTSJJ-VAMGGRTRSA-N 1 3 292.426 3.421 10 0 CGAEHO C[N@H+]1C[C@@H]2CN(Cc3ccccc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000409429044 346604889 /nfs/dbraw/zinc/60/48/89/346604889.db2.gz HMADQGVNEBTSJJ-VAMGGRTRSA-N 1 3 292.426 3.421 10 0 CGAEHO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000629531486 350703714 /nfs/dbraw/zinc/70/37/14/350703714.db2.gz MWVJYJOZPRZIAW-NEPJUHHUSA-N 1 3 262.388 3.036 10 0 CGAEHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000127944109 370957972 /nfs/dbraw/zinc/95/79/72/370957972.db2.gz ZMWHNDIGYJWAKV-XJFOESAGSA-N 1 3 290.373 3.324 10 0 CGAEHO CCc1nc(C)c(CN2CCC(C[NH+](CC)CC)CC2)o1 ZINC000428468857 372214587 /nfs/dbraw/zinc/21/45/87/372214587.db2.gz QQMVQQKKWNAQDV-UHFFFAOYSA-N 1 3 293.455 3.099 10 0 CGAEHO C[C@@H]1C[N@@H+]([C@H]2CCCc3sccc32)C[C@@]1(C)CN ZINC000310923409 374229804 /nfs/dbraw/zinc/22/98/04/374229804.db2.gz RQJVXIWODQLREI-OSAQELSMSA-N 1 3 264.438 3.042 10 0 CGAEHO C[C@@H]1C[N@H+]([C@H]2CCCc3sccc32)C[C@@]1(C)CN ZINC000310923409 374229809 /nfs/dbraw/zinc/22/98/09/374229809.db2.gz RQJVXIWODQLREI-OSAQELSMSA-N 1 3 264.438 3.042 10 0 CGAEHO Cc1nc2ccccc2c(N2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000248446807 377321690 /nfs/dbraw/zinc/32/16/90/377321690.db2.gz HADKLSGTKQHPLQ-HNNXBMFYSA-N 1 3 281.403 3.136 10 0 CGAEHO Cc1nc2ccccc2c(N2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000248446807 377321695 /nfs/dbraw/zinc/32/16/95/377321695.db2.gz HADKLSGTKQHPLQ-HNNXBMFYSA-N 1 3 281.403 3.136 10 0 CGAEHO CC[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1 ZINC000080428125 287065148 /nfs/dbraw/zinc/06/51/48/287065148.db2.gz IBSSFHLQUHDEEA-CHWSQXEVSA-N 1 3 252.446 3.464 10 0 CGAEHO CC(C)C[NH2+]C[C@@H]1CCN([C@@H](C)Cc2cccs2)C1 ZINC000071271068 176104176 /nfs/dbraw/zinc/10/41/76/176104176.db2.gz PRKYFWBFXNQUNE-GJZGRUSLSA-N 1 3 280.481 3.247 10 0 CGAEHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000580541202 335250539 /nfs/dbraw/zinc/25/05/39/335250539.db2.gz NIERWRUOKGDLKO-UGUYLWEFSA-N 1 3 252.446 3.179 10 0 CGAEHO CCN(Cc1cc(C[NH2+]C(C)C)oc1C)C1CC1 ZINC000052452258 521289692 /nfs/dbraw/zinc/28/96/92/521289692.db2.gz CELMJUSXCPLBOY-UHFFFAOYSA-N 1 3 250.386 3.070 10 0 CGAEHO CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN1CCC[C@@H]1C ZINC000053860019 520025515 /nfs/dbraw/zinc/02/55/15/520025515.db2.gz OSDGBVTUQGFEAF-QKPAOTATSA-N 1 3 252.446 3.275 10 0 CGAEHO CCN(CC)Cc1cc(C[NH2+]C(C)(C)C)c(C)o1 ZINC000052378194 520744624 /nfs/dbraw/zinc/74/46/24/520744624.db2.gz RDXRKNRHRLNZRL-UHFFFAOYSA-N 1 3 252.402 3.318 10 0 CGAEHO CC[C@H](C)CN(C)Cc1occc1C[NH2+]C(C)C ZINC000052453959 523869868 /nfs/dbraw/zinc/86/98/68/523869868.db2.gz KMZVODRCDJDSCG-ZDUSSCGKSA-N 1 3 252.402 3.256 10 0 CGAEHO Cc1oc(C[N@@H+](C)C2CCCCCC2)cc1CN ZINC000052482045 526769831 /nfs/dbraw/zinc/76/98/31/526769831.db2.gz RHEDJSXHKDOBOF-UHFFFAOYSA-N 1 3 250.386 3.201 10 0 CGAEHO Cc1oc(C[N@H+](C)C2CCCCCC2)cc1CN ZINC000052482045 526769837 /nfs/dbraw/zinc/76/98/37/526769837.db2.gz RHEDJSXHKDOBOF-UHFFFAOYSA-N 1 3 250.386 3.201 10 0 CGAEHO Cc1oc(CNC2CC2)cc1C[N@@H+](C)CC(C)(C)C ZINC000052570202 526774387 /nfs/dbraw/zinc/77/43/87/526774387.db2.gz CWLGTQOPLYECOH-UHFFFAOYSA-N 1 3 264.413 3.318 10 0 CGAEHO Cc1oc(CNC2CC2)cc1C[N@H+](C)CC(C)(C)C ZINC000052570202 526774392 /nfs/dbraw/zinc/77/43/92/526774392.db2.gz CWLGTQOPLYECOH-UHFFFAOYSA-N 1 3 264.413 3.318 10 0 CGAEHO CC1CCC(CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000629652735 350731544 /nfs/dbraw/zinc/73/15/44/350731544.db2.gz BLCYYEZXFVICJK-CLRIEMFWSA-N 1 3 292.389 3.272 10 0 CGAEHO CCc1cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c2ccccc2n1 ZINC000301765166 201183752 /nfs/dbraw/zinc/18/37/52/201183752.db2.gz BDNDXPLEQXBBMY-UGSOOPFHSA-N 1 3 283.419 3.184 10 0 CGAEHO NC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000036374375 369018154 /nfs/dbraw/zinc/01/81/54/369018154.db2.gz OUVZXDBUVYNERG-UHFFFAOYSA-N 1 3 266.388 3.137 10 0 CGAEHO C[C@H](c1cc2ccccc2o1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312562917 249080635 /nfs/dbraw/zinc/08/06/35/249080635.db2.gz YOYYGZUXPLQEAE-PBFPGSCMSA-N 1 3 272.392 3.411 10 0 CGAEHO C[C@H](c1cc2ccccc2o1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000312562917 249080637 /nfs/dbraw/zinc/08/06/37/249080637.db2.gz YOYYGZUXPLQEAE-PBFPGSCMSA-N 1 3 272.392 3.411 10 0 CGAEHO C[C@H](c1cc2ccccc2o1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000312562917 249080638 /nfs/dbraw/zinc/08/06/38/249080638.db2.gz YOYYGZUXPLQEAE-PBFPGSCMSA-N 1 3 272.392 3.411 10 0 CGAEHO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1F ZINC000181375452 542218618 /nfs/dbraw/zinc/21/86/18/542218618.db2.gz PJBYIFWEWALINP-ZFWWWQNUSA-N 1 3 264.388 3.269 10 0 CGAEHO N[C@@H](CCC[NH3+])c1c(Cl)ccc(Cl)c1Cl ZINC000575439936 377911349 /nfs/dbraw/zinc/91/13/49/377911349.db2.gz YCROBGQLLQXJBD-QMMMGPOBSA-N 1 3 267.587 3.386 10 0 CGAEHO C[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000647804462 392804546 /nfs/dbraw/zinc/80/45/46/392804546.db2.gz RKBHATGUFKQXKO-QNWHQSFQSA-N 1 3 278.362 3.085 10 0 CGAEHO CCCn1ccc(C[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000091012667 165249575 /nfs/dbraw/zinc/24/95/75/165249575.db2.gz BVRGMSJEEIWEBY-INIZCTEOSA-N 1 3 277.456 3.110 10 0 CGAEHO CCC[NH+]1CCC([C@@H](C)N[C@H](C)c2ccco2)CC1 ZINC000035738474 172391541 /nfs/dbraw/zinc/39/15/41/172391541.db2.gz HOSHXJWXUGXBTP-ZIAGYGMSSA-N 1 3 264.413 3.441 10 0 CGAEHO CC(C)Cc1ccc([C@H](C)[N@@H+]2CCCNCC2)cc1 ZINC000038086993 174098567 /nfs/dbraw/zinc/09/85/67/174098567.db2.gz KHZNQQLBYXEGFH-HNNXBMFYSA-N 1 3 260.425 3.241 10 0 CGAEHO CC(C)Cc1ccc([C@H](C)[N@H+]2CCCNCC2)cc1 ZINC000038086993 174098568 /nfs/dbraw/zinc/09/85/68/174098568.db2.gz KHZNQQLBYXEGFH-HNNXBMFYSA-N 1 3 260.425 3.241 10 0 CGAEHO CC1(C)CC[C@H]2CNCC[C@H]2[N@@H+]1Cc1ccccc1 ZINC000076697664 177060972 /nfs/dbraw/zinc/06/09/72/177060972.db2.gz NKMRDGAVHXSOCS-JKSUJKDBSA-N 1 3 258.409 3.039 10 0 CGAEHO CC1(C)CC[C@H]2CNCC[C@H]2[N@H+]1Cc1ccccc1 ZINC000076697664 177060973 /nfs/dbraw/zinc/06/09/73/177060973.db2.gz NKMRDGAVHXSOCS-JKSUJKDBSA-N 1 3 258.409 3.039 10 0 CGAEHO CCCN[C@H](C)c1csc(CC[NH+](CC)CC)n1 ZINC000076810780 177102544 /nfs/dbraw/zinc/10/25/44/177102544.db2.gz BMJGFONSPWYNCG-GFCCVEGCSA-N 1 3 269.458 3.088 10 0 CGAEHO CCCC1CCN(C[C@H](C)C[NH2+]CC(C)C)CC1 ZINC000052373863 519902070 /nfs/dbraw/zinc/90/20/70/519902070.db2.gz XRCLPWSYVIUSRX-OAHLLOKOSA-N 1 3 254.462 3.380 10 0 CGAEHO CC(C)NCc1coc(C[N@H+](C)[C@H](C)C(C)C)c1 ZINC000052478563 519728228 /nfs/dbraw/zinc/72/82/28/519728228.db2.gz QGRBAIAWPJVDBM-CYBMUJFWSA-N 1 3 252.402 3.254 10 0 CGAEHO CC(C)NCc1coc(C[N@@H+](C)[C@H](C)C(C)C)c1 ZINC000052478563 519728230 /nfs/dbraw/zinc/72/82/30/519728230.db2.gz QGRBAIAWPJVDBM-CYBMUJFWSA-N 1 3 252.402 3.254 10 0 CGAEHO CCCNCc1ccoc1C[N@H+](CC)[C@H](C)CC ZINC000052450976 519958786 /nfs/dbraw/zinc/95/87/86/519958786.db2.gz GIJBJIFXAUGEFN-CYBMUJFWSA-N 1 3 252.402 3.400 10 0 CGAEHO CCCNCc1ccoc1C[N@@H+](CC)[C@H](C)CC ZINC000052450976 519958792 /nfs/dbraw/zinc/95/87/92/519958792.db2.gz GIJBJIFXAUGEFN-CYBMUJFWSA-N 1 3 252.402 3.400 10 0 CGAEHO CNCc1oc2ccccc2c1C[N@@H+]1CCC[C@H]1C ZINC000052375756 522160203 /nfs/dbraw/zinc/16/02/03/522160203.db2.gz CURNAYKMKDSEDX-GFCCVEGCSA-N 1 3 258.365 3.137 10 0 CGAEHO CNCc1oc2ccccc2c1C[N@H+]1CCC[C@H]1C ZINC000052375756 522160209 /nfs/dbraw/zinc/16/02/09/522160209.db2.gz CURNAYKMKDSEDX-GFCCVEGCSA-N 1 3 258.365 3.137 10 0 CGAEHO CC[C@@H]1CCC[N@@H+]1Cc1oc2ccccc2c1CN ZINC000052375209 523269725 /nfs/dbraw/zinc/26/97/25/523269725.db2.gz DVIHRSYUGJRJGU-GFCCVEGCSA-N 1 3 258.365 3.266 10 0 CGAEHO CC[C@@H]1CCC[N@H+]1Cc1oc2ccccc2c1CN ZINC000052375209 523269732 /nfs/dbraw/zinc/26/97/32/523269732.db2.gz DVIHRSYUGJRJGU-GFCCVEGCSA-N 1 3 258.365 3.266 10 0 CGAEHO CC(C)(N)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000095937397 185034355 /nfs/dbraw/zinc/03/43/55/185034355.db2.gz HLPKFKYOYPUEAQ-UHFFFAOYSA-N 1 3 260.425 3.069 10 0 CGAEHO c1ccc(C[N@@H+]2CCCCCC23CCNCC3)cc1 ZINC000096884941 185119834 /nfs/dbraw/zinc/11/98/34/185119834.db2.gz HHWIZLQTZICATQ-UHFFFAOYSA-N 1 3 258.409 3.185 10 0 CGAEHO c1ccc(C[N@H+]2CCCCCC23CCNCC3)cc1 ZINC000096884941 185119835 /nfs/dbraw/zinc/11/98/35/185119835.db2.gz HHWIZLQTZICATQ-UHFFFAOYSA-N 1 3 258.409 3.185 10 0 CGAEHO NC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000034412148 344938950 /nfs/dbraw/zinc/93/89/50/344938950.db2.gz MWDKHHOXZRUHED-UHFFFAOYSA-N 1 3 280.415 3.242 10 0 CGAEHO CCN(CCCCCCC[NH3+])Cc1ccccc1OC ZINC000138542430 346096846 /nfs/dbraw/zinc/09/68/46/346096846.db2.gz SRKWUEKDJZCVJS-UHFFFAOYSA-N 1 3 278.440 3.426 10 0 CGAEHO CCC[NH+]1CCC(N[C@@H](C)COCc2ccccc2)CC1 ZINC000390594643 542611375 /nfs/dbraw/zinc/61/13/75/542611375.db2.gz RYDXFDOJMHAAKN-INIZCTEOSA-N 1 3 290.451 3.056 10 0 CGAEHO CCS[C@@H]1CCCCN(CCC[NH+]2CCCC2)C1 ZINC000153697671 392525678 /nfs/dbraw/zinc/52/56/78/392525678.db2.gz KFDMKXMULHHFOH-OAHLLOKOSA-N 1 3 270.486 3.080 10 0 CGAEHO CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CN2CCCCC2)C1 ZINC000080459477 287065810 /nfs/dbraw/zinc/06/58/10/287065810.db2.gz KUHSVLCJIUZNTL-BZUAXINKSA-N 1 3 252.446 3.277 10 0 CGAEHO CCCCN(CCCC)Cc1ccccc1C(N)=[NH2+] ZINC000020485686 171225570 /nfs/dbraw/zinc/22/55/70/171225570.db2.gz MNZGVNOQLWQXBJ-UHFFFAOYSA-N 1 3 261.413 3.373 10 0 CGAEHO COc1c(Cl)cc(C[NH2+]CCCN(C)C)cc1Cl ZINC000020967756 171282234 /nfs/dbraw/zinc/28/22/34/171282234.db2.gz OOLUHNOTUHXGOF-UHFFFAOYSA-N 1 3 291.222 3.043 10 0 CGAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+]C(C2CC2)C2CC2)C1 ZINC000037220971 173039147 /nfs/dbraw/zinc/03/91/47/173039147.db2.gz OJZWZBOAEHGRMA-CJNGLKHVSA-N 1 3 264.457 3.275 10 0 CGAEHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC000040621494 174354560 /nfs/dbraw/zinc/35/45/60/174354560.db2.gz XXDVICBOVYNAEF-GJZGRUSLSA-N 1 3 276.424 3.076 10 0 CGAEHO c1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250841117 304857340 /nfs/dbraw/zinc/85/73/40/304857340.db2.gz FMRUUYQZGZMWIM-MLHJIOFPSA-N 1 3 270.420 3.184 10 0 CGAEHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCCc3sccc32)C1 ZINC000061328757 519686702 /nfs/dbraw/zinc/68/67/02/519686702.db2.gz DEQSENIXUYHQAM-DZGCQCFKSA-N 1 3 278.465 3.445 10 0 CGAEHO CCCCN(C)Cc1occc1C[NH2+]CC(C)C ZINC000052417927 520421758 /nfs/dbraw/zinc/42/17/58/520421758.db2.gz KSQNYOJKZFGQCV-UHFFFAOYSA-N 1 3 252.402 3.257 10 0 CGAEHO CCCNCc1ccc(C[N@H+](C)[C@H](C)C(C)C)o1 ZINC000052478442 519948947 /nfs/dbraw/zinc/94/89/47/519948947.db2.gz BISFVFFWMLISNH-CYBMUJFWSA-N 1 3 252.402 3.256 10 0 CGAEHO CCCNCc1ccc(C[N@@H+](C)[C@H](C)C(C)C)o1 ZINC000052478442 519948951 /nfs/dbraw/zinc/94/89/51/519948951.db2.gz BISFVFFWMLISNH-CYBMUJFWSA-N 1 3 252.402 3.256 10 0 CGAEHO CCCNCc1ccoc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000052373271 519959862 /nfs/dbraw/zinc/95/98/62/519959862.db2.gz MBBXCPMBIHSBKB-KGLIPLIRSA-N 1 3 264.413 3.400 10 0 CGAEHO CCCNCc1ccoc1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000052373271 519959871 /nfs/dbraw/zinc/95/98/71/519959871.db2.gz MBBXCPMBIHSBKB-KGLIPLIRSA-N 1 3 264.413 3.400 10 0 CGAEHO CCC[NH2+]Cc1ccoc1CN(C)CCC(C)C ZINC000052545823 519960462 /nfs/dbraw/zinc/96/04/62/519960462.db2.gz FREDIPMNLKJLTF-UHFFFAOYSA-N 1 3 252.402 3.257 10 0 CGAEHO C[NH2+]Cc1ccc(CN(C)Cc2cccs2)cc1 ZINC000052456327 522117020 /nfs/dbraw/zinc/11/70/20/522117020.db2.gz XWYVZQPJGVLYSS-UHFFFAOYSA-N 1 3 260.406 3.100 10 0 CGAEHO [NH3+][C@H]1CCN(Cc2ccccc2)[C@H]1C1CCCCC1 ZINC000096950667 185139756 /nfs/dbraw/zinc/13/97/56/185139756.db2.gz JCDHYLMUKNECNW-IRXDYDNUSA-N 1 3 258.409 3.169 10 0 CGAEHO N[C@@H](CCCC[NH3+])c1c(Cl)ccc(Cl)c1F ZINC000575438501 377911530 /nfs/dbraw/zinc/91/15/30/377911530.db2.gz LKNMHFYFFHXVDK-VIFPVBQESA-N 1 3 265.159 3.261 10 0 CGAEHO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1CN(C)C ZINC000020128572 171015334 /nfs/dbraw/zinc/01/53/34/171015334.db2.gz CZLGLUVEMVJZJP-PBHICJAKSA-N 1 3 260.425 3.417 10 0 CGAEHO CCC(CC)[C@@H](CN)[N@H+](C)Cc1cccc(F)c1 ZINC000020266530 171123463 /nfs/dbraw/zinc/12/34/63/171123463.db2.gz SMHZDJXADMUFKT-OAHLLOKOSA-N 1 3 252.377 3.021 10 0 CGAEHO CCC(CC)[C@@H](CN)[N@@H+](C)Cc1cccc(F)c1 ZINC000020266530 171123464 /nfs/dbraw/zinc/12/34/64/171123464.db2.gz SMHZDJXADMUFKT-OAHLLOKOSA-N 1 3 252.377 3.021 10 0 CGAEHO F[C@H]1CCC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000335399152 294730791 /nfs/dbraw/zinc/73/07/91/294730791.db2.gz MEHVWVFIQIXTPR-ZFWWWQNUSA-N 1 3 268.420 3.264 10 0 CGAEHO CCCN(CC)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052448256 521612862 /nfs/dbraw/zinc/61/28/62/521612862.db2.gz RPXIEDGVKFHGFE-UHFFFAOYSA-N 1 3 252.402 3.318 10 0 CGAEHO CC[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(CNC)o1 ZINC000052447995 523178691 /nfs/dbraw/zinc/17/86/91/523178691.db2.gz BNJMUYDUKKQMPV-CYBMUJFWSA-N 1 3 250.386 3.072 10 0 CGAEHO CC[C@@H]1CCCC[N@H+]1Cc1cc(C)c(CNC)o1 ZINC000052447995 523178696 /nfs/dbraw/zinc/17/86/96/523178696.db2.gz BNJMUYDUKKQMPV-CYBMUJFWSA-N 1 3 250.386 3.072 10 0 CGAEHO Cc1ccccc1C[N@@H+]1CCCN[C@H](CC(C)C)C1 ZINC000062657637 525139119 /nfs/dbraw/zinc/13/91/19/525139119.db2.gz ZRVPEVMVVVXHMD-QGZVFWFLSA-N 1 3 260.425 3.205 10 0 CGAEHO Cc1ccccc1C[N@H+]1CCCN[C@H](CC(C)C)C1 ZINC000062657637 525139126 /nfs/dbraw/zinc/13/91/26/525139126.db2.gz ZRVPEVMVVVXHMD-QGZVFWFLSA-N 1 3 260.425 3.205 10 0 CGAEHO CC(C)N1CC[C@@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000712035916 567837003 /nfs/dbraw/zinc/83/70/03/567837003.db2.gz WCPINLRJXVVSDQ-NPCAHTBFSA-N 1 3 252.446 3.403 10 0 CGAEHO CC[NH+](CC)CCc1nc(C(C)(C)C)c(CNC)s1 ZINC000082440844 178020244 /nfs/dbraw/zinc/02/02/44/178020244.db2.gz IJPGQWWXPVXPBX-UHFFFAOYSA-N 1 3 283.485 3.044 10 0 CGAEHO CC[N@@H+]1CCC[C@@H](Nc2cc(C)nc3ccccc32)C1 ZINC000040503188 369159406 /nfs/dbraw/zinc/15/94/06/369159406.db2.gz BFLLWTVJNNDUQI-CQSZACIVSA-N 1 3 269.392 3.439 10 0 CGAEHO CC[N@H+]1CCC[C@@H](Nc2cc(C)nc3ccccc32)C1 ZINC000040503188 369159414 /nfs/dbraw/zinc/15/94/14/369159414.db2.gz BFLLWTVJNNDUQI-CQSZACIVSA-N 1 3 269.392 3.439 10 0 CGAEHO CCc1c(C)nc2ccccc2c1N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000302073501 373817799 /nfs/dbraw/zinc/81/77/99/373817799.db2.gz WTRZTJOBRROVEV-SCLBCKFNSA-N 1 3 297.446 3.492 10 0 CGAEHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]C4CC4)[C@H]3C2)cc1 ZINC000248388896 377303512 /nfs/dbraw/zinc/30/35/12/377303512.db2.gz AKCJIEKWGFMIIR-RYQLBKOJSA-N 1 3 270.420 3.039 10 0 CGAEHO C[C@H]([NH2+]CC(C)(C)c1cccs1)[C@H]1CCCNC1 ZINC000562959000 377379470 /nfs/dbraw/zinc/37/94/70/377379470.db2.gz JOBIGGNRDARLNU-STQMWFEESA-N 1 3 266.454 3.003 10 0 CGAEHO C[C@H](NCC(C)(C)c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000562959000 377379483 /nfs/dbraw/zinc/37/94/83/377379483.db2.gz JOBIGGNRDARLNU-STQMWFEESA-N 1 3 266.454 3.003 10 0 CGAEHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)C1 ZINC000252439263 377622019 /nfs/dbraw/zinc/62/20/19/377622019.db2.gz MLADNOLBOGJIRM-VVLHAWIVSA-N 1 3 266.473 3.379 10 0 CGAEHO CCN(CC)CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161875 172022485 /nfs/dbraw/zinc/02/24/85/172022485.db2.gz XOANXUGNWVJFHS-UHFFFAOYSA-N 1 3 264.457 3.133 10 0 CGAEHO CC(C)c1ccc([C@H](C)N[C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400719192 275748212 /nfs/dbraw/zinc/74/82/12/275748212.db2.gz OAJBJGPJHJGYBB-ZQIUZPCESA-N 1 3 260.425 3.459 10 0 CGAEHO CCNCc1oc(C[N@H+](C)[C@H](C)C(C)C)cc1C ZINC000052478698 520028238 /nfs/dbraw/zinc/02/82/38/520028238.db2.gz NSHHVFCVAQDARZ-CYBMUJFWSA-N 1 3 252.402 3.174 10 0 CGAEHO CCNCc1oc(C[N@@H+](C)[C@H](C)C(C)C)cc1C ZINC000052478698 520028244 /nfs/dbraw/zinc/02/82/44/520028244.db2.gz NSHHVFCVAQDARZ-CYBMUJFWSA-N 1 3 252.402 3.174 10 0 CGAEHO CC[C@H](C1CCCCC1)[N@@H+]1CC[C@H](NC)C[C@@H]1C ZINC000052340513 522087484 /nfs/dbraw/zinc/08/74/84/522087484.db2.gz CAJCVZXMJJKSCO-CWRNSKLLSA-N 1 3 252.446 3.418 10 0 CGAEHO CC[C@H](C1CCCCC1)[N@H+]1CC[C@H](NC)C[C@@H]1C ZINC000052340513 522087493 /nfs/dbraw/zinc/08/74/93/522087493.db2.gz CAJCVZXMJJKSCO-CWRNSKLLSA-N 1 3 252.446 3.418 10 0 CGAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CCN1 ZINC000423367269 533967124 /nfs/dbraw/zinc/96/71/24/533967124.db2.gz DIOFBSAZNTWZIS-TUVASFSCSA-N 1 3 252.446 3.321 10 0 CGAEHO NCCC[NH2+]CCCn1c2ccccc2c2ccccc21 ZINC000034051232 344937300 /nfs/dbraw/zinc/93/73/00/344937300.db2.gz DJCSKJNSKLPSKG-UHFFFAOYSA-N 1 3 281.403 3.123 10 0 CGAEHO C[C@@H]([NH2+][C@@H](C)c1cccs1)C1CCN(C)CC1 ZINC000037221411 541863337 /nfs/dbraw/zinc/86/33/37/541863337.db2.gz LBQWYHXJIOCGTN-NEPJUHHUSA-N 1 3 252.427 3.129 10 0 CGAEHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000248388895 377303549 /nfs/dbraw/zinc/30/35/49/377303549.db2.gz AKCJIEKWGFMIIR-CGTJXYLNSA-N 1 3 270.420 3.039 10 0 CGAEHO N[C@H](CCCC[NH3+])c1c(F)ccc(Cl)c1Cl ZINC000575440022 377911430 /nfs/dbraw/zinc/91/14/30/377911430.db2.gz ZGJDTQGIEOXOBU-SECBINFHSA-N 1 3 265.159 3.261 10 0 CGAEHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C(C)C ZINC000049127465 392035613 /nfs/dbraw/zinc/03/56/13/392035613.db2.gz CSBROVAMTVHZGK-INIZCTEOSA-N 1 3 261.413 3.075 10 0 CGAEHO Cc1cc(N2CCC3(C2)CC[NH2+]CC3)c2ccccc2n1 ZINC000335302131 392788215 /nfs/dbraw/zinc/78/82/15/392788215.db2.gz VQELVGXKRKSMQD-UHFFFAOYSA-N 1 3 281.403 3.123 10 0 CGAEHO Cc1ccc(CN(C)C2(C[NH3+])CCCCC2)cc1C ZINC000020226864 171091649 /nfs/dbraw/zinc/09/16/49/171091649.db2.gz VLEZSDSQHAZWEF-UHFFFAOYSA-N 1 3 260.425 3.397 10 0 CGAEHO C[N@H+](Cc1cccc(F)c1)[C@H](CN)C1CCCCC1 ZINC000020545701 171243687 /nfs/dbraw/zinc/24/36/87/171243687.db2.gz SKMZJFHUQGVAQN-MRXNPFEDSA-N 1 3 264.388 3.165 10 0 CGAEHO C[N@@H+](Cc1cccc(F)c1)[C@H](CN)C1CCCCC1 ZINC000020545701 171243688 /nfs/dbraw/zinc/24/36/88/171243688.db2.gz SKMZJFHUQGVAQN-MRXNPFEDSA-N 1 3 264.388 3.165 10 0 CGAEHO C[C@H]1CCC[C@](CN)([N@H+](C)Cc2ccsc2)C1 ZINC000035719094 172373390 /nfs/dbraw/zinc/37/33/90/172373390.db2.gz QSWALIJOQCYCQK-JSGCOSHPSA-N 1 3 252.427 3.088 10 0 CGAEHO C[C@H]1CCC[C@](CN)([N@@H+](C)Cc2ccsc2)C1 ZINC000035719094 172373391 /nfs/dbraw/zinc/37/33/91/172373391.db2.gz QSWALIJOQCYCQK-JSGCOSHPSA-N 1 3 252.427 3.088 10 0 CGAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC000037221013 173038897 /nfs/dbraw/zinc/03/88/97/173038897.db2.gz FLEMTKHOSABVNL-WBVHZDCISA-N 1 3 260.425 3.205 10 0 CGAEHO C[C@@H]([NH2+]C1CCC(C2CCC2)CC1)[C@@H]1CCCNC1 ZINC000665284056 419104856 /nfs/dbraw/zinc/10/48/56/419104856.db2.gz ZNJYSSPUPPEMLW-CRYBEJKASA-N 1 3 264.457 3.323 10 0 CGAEHO CC(C)=CCC[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000662271924 419379142 /nfs/dbraw/zinc/37/91/42/419379142.db2.gz KDVFCRNIYWVACR-SJORKVTESA-N 1 3 258.409 3.017 10 0 CGAEHO CC(C)=CCC[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000662271924 419379147 /nfs/dbraw/zinc/37/91/47/419379147.db2.gz KDVFCRNIYWVACR-SJORKVTESA-N 1 3 258.409 3.017 10 0 CGAEHO CC(C)=CCCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000662271924 419379151 /nfs/dbraw/zinc/37/91/51/419379151.db2.gz KDVFCRNIYWVACR-SJORKVTESA-N 1 3 258.409 3.017 10 0 CGAEHO CCC[NH2+]Cc1cc(CN2CCC[C@@H](C)C2)oc1C ZINC000052381247 519944096 /nfs/dbraw/zinc/94/40/96/519944096.db2.gz IZVLJWRQMOSENA-CYBMUJFWSA-N 1 3 264.413 3.320 10 0 CGAEHO CCCNCc1occc1C[NH+](CCC)CCC ZINC000052416761 519973452 /nfs/dbraw/zinc/97/34/52/519973452.db2.gz DADQLRNVNLTOTA-UHFFFAOYSA-N 1 3 252.402 3.401 10 0 CGAEHO CCN(C)Cc1c(C[NH2+]C)sc2cccc(F)c21 ZINC000052445916 520257316 /nfs/dbraw/zinc/25/73/16/520257316.db2.gz DYZSSAZPRSBVLU-UHFFFAOYSA-N 1 3 266.385 3.212 10 0 CGAEHO CCC[N@H+](C[C@@H]1C[C@H](C(C)C)CC[C@@H]1N)C1CC1 ZINC000054559791 521676590 /nfs/dbraw/zinc/67/65/90/521676590.db2.gz RBJQHKJJTVOAGA-YCPHGPKFSA-N 1 3 252.446 3.260 10 0 CGAEHO CCC[N@@H+](C[C@@H]1C[C@H](C(C)C)CC[C@@H]1N)C1CC1 ZINC000054559791 521676595 /nfs/dbraw/zinc/67/65/95/521676595.db2.gz RBJQHKJJTVOAGA-YCPHGPKFSA-N 1 3 252.446 3.260 10 0 CGAEHO CCCN(C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+])C1CC1 ZINC000054559791 521676597 /nfs/dbraw/zinc/67/65/97/521676597.db2.gz RBJQHKJJTVOAGA-YCPHGPKFSA-N 1 3 252.446 3.260 10 0 CGAEHO CN(C)Cc1c(C[NH2+]C2CC2)sc2cccc(F)c21 ZINC000052422660 521885027 /nfs/dbraw/zinc/88/50/27/521885027.db2.gz QBQFURYQWJZEEV-UHFFFAOYSA-N 1 3 278.396 3.354 10 0 CGAEHO CN(CCC[C@H]1CCCC[NH2+]1)Cc1cccs1 ZINC000050952642 522789061 /nfs/dbraw/zinc/78/90/61/522789061.db2.gz FECASUPMJOYREC-CYBMUJFWSA-N 1 3 252.427 3.102 10 0 CGAEHO CC[C@H]1CCC[N@@H+]1Cc1ccccc1CNC1CC1 ZINC000052375398 523110851 /nfs/dbraw/zinc/11/08/51/523110851.db2.gz LJWPJLRNGNVCFG-KRWDZBQOSA-N 1 3 258.409 3.313 10 0 CGAEHO CC[C@H]1CCC[N@H+]1Cc1ccccc1CNC1CC1 ZINC000052375398 523110856 /nfs/dbraw/zinc/11/08/56/523110856.db2.gz LJWPJLRNGNVCFG-KRWDZBQOSA-N 1 3 258.409 3.313 10 0 CGAEHO C[C@@H]1CCN(Cc2occc2C[NH2+]C(C)(C)C)C1 ZINC000052484378 524518577 /nfs/dbraw/zinc/51/85/77/524518577.db2.gz FOLVSRVRIAENOL-GFCCVEGCSA-N 1 3 250.386 3.010 10 0 CGAEHO Cc1ccccc1C[N@@H+]1CCCN[C@@H](CC(C)C)C1 ZINC000062657640 525140334 /nfs/dbraw/zinc/14/03/34/525140334.db2.gz ZRVPEVMVVVXHMD-KRWDZBQOSA-N 1 3 260.425 3.205 10 0 CGAEHO Cc1ccccc1C[N@H+]1CCCN[C@@H](CC(C)C)C1 ZINC000062657640 525140343 /nfs/dbraw/zinc/14/03/43/525140343.db2.gz ZRVPEVMVVVXHMD-KRWDZBQOSA-N 1 3 260.425 3.205 10 0 CGAEHO c1cc(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)ccn1 ZINC000034657748 344940987 /nfs/dbraw/zinc/94/09/87/344940987.db2.gz TVUJUUNBGRTGLD-UHFFFAOYSA-N 1 3 297.446 3.028 10 0 CGAEHO Cc1cccc2c(NC[C@@H](C3CC3)[NH+](C)C)ccnc12 ZINC000091481822 345816758 /nfs/dbraw/zinc/81/67/58/345816758.db2.gz QEWCJOLDMHDIFV-INIZCTEOSA-N 1 3 269.392 3.295 10 0 CGAEHO CC[C@H](c1ccc(Cl)cc1)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839650 351150714 /nfs/dbraw/zinc/15/07/14/351150714.db2.gz JCCRRGRJPQWTKJ-CORIIIEPSA-N 1 3 266.816 3.318 10 0 CGAEHO CC1CCC(N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000112716988 138365072 /nfs/dbraw/zinc/36/50/72/138365072.db2.gz SCENZGVMDAESNA-UHFFFAOYSA-N 1 3 250.430 3.029 10 0 CGAEHO c1ccc(N[C@H]2CCC[N@@H+](CCCN3CCCC3)C2)cc1 ZINC000163313790 372461533 /nfs/dbraw/zinc/46/15/33/372461533.db2.gz QPRNPNQEWGDJPJ-SFHVURJKSA-N 1 3 287.451 3.049 10 0 CGAEHO c1ccc(N[C@H]2CCC[N@H+](CCCN3CCCC3)C2)cc1 ZINC000163313790 372461542 /nfs/dbraw/zinc/46/15/42/372461542.db2.gz QPRNPNQEWGDJPJ-SFHVURJKSA-N 1 3 287.451 3.049 10 0 CGAEHO Cc1ccsc1[C@H](C[NH3+])N(C)C1CCCCC1 ZINC000022221901 171378257 /nfs/dbraw/zinc/37/82/57/171378257.db2.gz GZEIKSRPTHTDRX-ZDUSSCGKSA-N 1 3 252.427 3.321 10 0 CGAEHO CCC[N@H+](CC1CC1)[C@@H]1C[C@H](CC)CC[C@@H]1CN ZINC000035452111 172204976 /nfs/dbraw/zinc/20/49/76/172204976.db2.gz FNWXPASDRQAZBC-FVQBIDKESA-N 1 3 252.446 3.262 10 0 CGAEHO CCC[N@@H+](CC1CC1)[C@@H]1C[C@H](CC)CC[C@@H]1CN ZINC000035452111 172204980 /nfs/dbraw/zinc/20/49/80/172204980.db2.gz FNWXPASDRQAZBC-FVQBIDKESA-N 1 3 252.446 3.262 10 0 CGAEHO CC[NH+]1CCC([C@H](C)N[C@H](C)c2ccco2)CC1 ZINC000035738479 172391838 /nfs/dbraw/zinc/39/18/38/172391838.db2.gz RTJDSOXOAWTGLT-QWHCGFSZSA-N 1 3 250.386 3.051 10 0 CGAEHO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(F)cc1CN ZINC000071263504 176096589 /nfs/dbraw/zinc/09/65/89/176096589.db2.gz OVZJIQNGSLXPBI-MLGOLLRUSA-N 1 3 264.388 3.295 10 0 CGAEHO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(F)cc1CN ZINC000071263504 176096591 /nfs/dbraw/zinc/09/65/91/176096591.db2.gz OVZJIQNGSLXPBI-MLGOLLRUSA-N 1 3 264.388 3.295 10 0 CGAEHO CC1(C)CC[C@]2(CCCNC2)[N@@H+]1Cc1ccccc1 ZINC000076697624 177060769 /nfs/dbraw/zinc/06/07/69/177060769.db2.gz DEWJJHBLKGFFRI-KRWDZBQOSA-N 1 3 258.409 3.183 10 0 CGAEHO CC1(C)CC[C@]2(CCCNC2)[N@H+]1Cc1ccccc1 ZINC000076697624 177060770 /nfs/dbraw/zinc/06/07/70/177060770.db2.gz DEWJJHBLKGFFRI-KRWDZBQOSA-N 1 3 258.409 3.183 10 0 CGAEHO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000159036230 321828089 /nfs/dbraw/zinc/82/80/89/321828089.db2.gz HTRBJUIGKCWDTH-CABCVRRESA-N 1 3 278.440 3.322 10 0 CGAEHO CCCC1CCN(Cc2occc2C[NH2+]CC)CC1 ZINC000052373878 519902604 /nfs/dbraw/zinc/90/26/04/519902604.db2.gz YKXWJPOVIIZALF-UHFFFAOYSA-N 1 3 264.413 3.401 10 0 CGAEHO CCO[C@H](C[NH3+])CCN(C)[C@@H](C)c1ccccc1Cl ZINC000062741289 520515672 /nfs/dbraw/zinc/51/56/72/520515672.db2.gz OTHFERHYNIMCEH-STQMWFEESA-N 1 3 284.831 3.087 10 0 CGAEHO CNCc1ccoc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482254 522142764 /nfs/dbraw/zinc/14/27/64/522142764.db2.gz GKRHHBJSJKMHTM-DZGCQCFKSA-N 1 3 262.397 3.011 10 0 CGAEHO CNCc1ccoc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482254 522142770 /nfs/dbraw/zinc/14/27/70/522142770.db2.gz GKRHHBJSJKMHTM-DZGCQCFKSA-N 1 3 262.397 3.011 10 0 CGAEHO NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCCc2sccc21 ZINC000061330020 527146970 /nfs/dbraw/zinc/14/69/70/527146970.db2.gz RGOVQILFWJJZBQ-CMGMYYOESA-N 1 3 262.422 3.080 10 0 CGAEHO NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCc2sccc21 ZINC000061330020 527146976 /nfs/dbraw/zinc/14/69/76/527146976.db2.gz RGOVQILFWJJZBQ-CMGMYYOESA-N 1 3 262.422 3.080 10 0 CGAEHO C/C=C/CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390920698 346575336 /nfs/dbraw/zinc/57/53/36/346575336.db2.gz XAUYOBMTRPPEFA-PYTYWGALSA-N 1 3 270.420 3.348 10 0 CGAEHO C/C=C/CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390920698 346575338 /nfs/dbraw/zinc/57/53/38/346575338.db2.gz XAUYOBMTRPPEFA-PYTYWGALSA-N 1 3 270.420 3.348 10 0 CGAEHO F[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000335399150 375269491 /nfs/dbraw/zinc/26/94/91/375269491.db2.gz MEHVWVFIQIXTPR-HIFRSBDPSA-N 1 3 268.420 3.264 10 0 CGAEHO CCC1CCC(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000562958369 377379930 /nfs/dbraw/zinc/37/99/30/377379930.db2.gz GSPZZCJAUINGGL-SLTXQBBLSA-N 1 3 252.446 3.181 10 0 CGAEHO C[C@@H](N[C@@H](C)c1cccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400339340 379949399 /nfs/dbraw/zinc/94/93/99/379949399.db2.gz FDFSPPKPQOGXSG-IJEWVQPXSA-N 1 3 268.404 3.488 10 0 CGAEHO Cc1csc([C@@H]2CCC[N@@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163160057 392602506 /nfs/dbraw/zinc/60/25/06/392602506.db2.gz ILLTVRZIVUHDJX-CABCVRRESA-N 1 3 293.480 3.115 10 0 CGAEHO Cc1csc([C@@H]2CCC[N@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163160057 392602510 /nfs/dbraw/zinc/60/25/10/392602510.db2.gz ILLTVRZIVUHDJX-CABCVRRESA-N 1 3 293.480 3.115 10 0 CGAEHO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1CN(C)C ZINC000020128575 171015268 /nfs/dbraw/zinc/01/52/68/171015268.db2.gz CZLGLUVEMVJZJP-WMLDXEAASA-N 1 3 260.425 3.417 10 0 CGAEHO C[C@@H]1CCCCN1C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000020555474 171250069 /nfs/dbraw/zinc/25/00/69/171250069.db2.gz UPZCRGLJFSBOPL-IXRCJPEJSA-N 1 3 276.468 3.405 10 0 CGAEHO CCC1CCC(C[N@@H+]2CCCNC[C@H](C)C2)CC1 ZINC000045007884 175288803 /nfs/dbraw/zinc/28/88/03/175288803.db2.gz CTSLKGXTUFPWQJ-FHERZECASA-N 1 3 252.446 3.134 10 0 CGAEHO CCC1CCC(C[N@H+]2CCCNC[C@H](C)C2)CC1 ZINC000045007884 175288805 /nfs/dbraw/zinc/28/88/05/175288805.db2.gz CTSLKGXTUFPWQJ-FHERZECASA-N 1 3 252.446 3.134 10 0 CGAEHO CCNCc1coc(C[N@@H+]2CCCC[C@H]2CC)c1 ZINC000052447687 520017177 /nfs/dbraw/zinc/01/71/77/520017177.db2.gz MMZIYIHQQCLNQO-CQSZACIVSA-N 1 3 250.386 3.154 10 0 CGAEHO CCNCc1coc(C[N@H+]2CCCC[C@H]2CC)c1 ZINC000052447687 520017178 /nfs/dbraw/zinc/01/71/78/520017178.db2.gz MMZIYIHQQCLNQO-CQSZACIVSA-N 1 3 250.386 3.154 10 0 CGAEHO CC(C)C[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)CCCN1 ZINC000062657649 519270670 /nfs/dbraw/zinc/27/06/70/519270670.db2.gz FMOUQZCAVOXJHB-DOTOQJQBSA-N 1 3 260.425 3.458 10 0 CGAEHO CC(C)C[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)CCCN1 ZINC000062657649 519270677 /nfs/dbraw/zinc/27/06/77/519270677.db2.gz FMOUQZCAVOXJHB-DOTOQJQBSA-N 1 3 260.425 3.458 10 0 CGAEHO CC(C)C[NH2+]Cc1coc(CN(C)CC(C)C)c1 ZINC000052452730 519748597 /nfs/dbraw/zinc/74/85/97/519748597.db2.gz JKLFEKKPLNYPDS-UHFFFAOYSA-N 1 3 252.402 3.113 10 0 CGAEHO CCCNCc1ccoc1C[N@@H+]1CCC[C@H]1CC ZINC000052374958 519960384 /nfs/dbraw/zinc/96/03/84/519960384.db2.gz ZGWOXBLVZJRPDA-CQSZACIVSA-N 1 3 250.386 3.154 10 0 CGAEHO CCCNCc1ccoc1C[N@H+]1CCC[C@H]1CC ZINC000052374958 519960391 /nfs/dbraw/zinc/96/03/91/519960391.db2.gz ZGWOXBLVZJRPDA-CQSZACIVSA-N 1 3 250.386 3.154 10 0 CGAEHO CN(Cc1cc(C[NH2+]C(C)(C)C)co1)[C@H]1CCSC1 ZINC000052453469 523171826 /nfs/dbraw/zinc/17/18/26/523171826.db2.gz SKLAHPUQSHNYNZ-ZDUSSCGKSA-N 1 3 282.453 3.105 10 0 CGAEHO CCN(Cc1ccccc1)Cc1ccccc1C[NH3+] ZINC000034958035 368982861 /nfs/dbraw/zinc/98/28/61/368982861.db2.gz OAYHGWIYCUXGNE-UHFFFAOYSA-N 1 3 254.377 3.167 10 0 CGAEHO C([C@H]1CCCN(C2CCC2)C1)[NH+]1CCCCCC1 ZINC000178990486 373825636 /nfs/dbraw/zinc/82/56/36/373825636.db2.gz DPNAWKWCTWZJDG-OAHLLOKOSA-N 1 3 250.430 3.127 10 0 CGAEHO C[C@H]([NH2+]CC(C)(C)c1cccs1)[C@@H]1CCCNC1 ZINC000562958999 377378648 /nfs/dbraw/zinc/37/86/48/377378648.db2.gz JOBIGGNRDARLNU-QWHCGFSZSA-N 1 3 266.454 3.003 10 0 CGAEHO C[C@H](NCC(C)(C)c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000562958999 377378658 /nfs/dbraw/zinc/37/86/58/377378658.db2.gz JOBIGGNRDARLNU-QWHCGFSZSA-N 1 3 266.454 3.003 10 0 CGAEHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(Cl)c1 ZINC000181422658 542218175 /nfs/dbraw/zinc/21/81/75/542218175.db2.gz XERYSADKMKRDSL-SWLSCSKDSA-N 1 3 266.816 3.475 10 0 CGAEHO C[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000400473661 379951284 /nfs/dbraw/zinc/95/12/84/379951284.db2.gz YWRXRYFFRMCNHD-SUNYJGFJSA-N 1 3 272.436 3.214 10 0 CGAEHO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000392197934 542611905 /nfs/dbraw/zinc/61/19/05/542611905.db2.gz VMKPUJFSTSQGFJ-PVAVHDDUSA-N 1 3 264.457 3.299 10 0 CGAEHO FC1(F)CCCC[C@@H]1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000394678789 397696015 /nfs/dbraw/zinc/69/60/15/397696015.db2.gz XJFZQJZLXJXSCW-RBSFLKMASA-N 1 3 286.410 3.276 10 0 CGAEHO CC1(C)CC(NCCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000020143154 171029370 /nfs/dbraw/zinc/02/93/70/171029370.db2.gz KKJDJILTKOLBAB-UHFFFAOYSA-N 1 3 260.425 3.128 10 0 CGAEHO CC1(C)CC([NH2+]CCc2ccccc2)CC(C)(C)N1 ZINC000020143154 171029371 /nfs/dbraw/zinc/02/93/71/171029371.db2.gz KKJDJILTKOLBAB-UHFFFAOYSA-N 1 3 260.425 3.128 10 0 CGAEHO CC(C)C[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400755051 279195633 /nfs/dbraw/zinc/19/56/33/279195633.db2.gz WSVSWNVJNDSSPU-OIISXLGYSA-N 1 3 260.425 3.361 10 0 CGAEHO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCCN1 ZINC000062668342 519414433 /nfs/dbraw/zinc/41/44/33/519414433.db2.gz GETHGXNSYGEBIN-SFHVURJKSA-N 1 3 274.452 3.329 10 0 CGAEHO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCCN1 ZINC000062668342 519414441 /nfs/dbraw/zinc/41/44/41/519414441.db2.gz GETHGXNSYGEBIN-SFHVURJKSA-N 1 3 274.452 3.329 10 0 CGAEHO CC(C)C[C@H]1C[N@@H+]([C@@H](C)c2ccccc2)CCCN1 ZINC000062657653 519415224 /nfs/dbraw/zinc/41/52/24/519415224.db2.gz FMOUQZCAVOXJHB-RDJZCZTQSA-N 1 3 260.425 3.458 10 0 CGAEHO CC(C)C[C@H]1C[N@H+]([C@@H](C)c2ccccc2)CCCN1 ZINC000062657653 519415229 /nfs/dbraw/zinc/41/52/29/519415229.db2.gz FMOUQZCAVOXJHB-RDJZCZTQSA-N 1 3 260.425 3.458 10 0 CGAEHO CC(C)NCc1occc1C[N@H+](C)[C@H](C)C(C)C ZINC000052478471 519730176 /nfs/dbraw/zinc/73/01/76/519730176.db2.gz RBMKINUAEMVUHI-CYBMUJFWSA-N 1 3 252.402 3.254 10 0 CGAEHO CC(C)NCc1occc1C[N@@H+](C)[C@H](C)C(C)C ZINC000052478471 519730177 /nfs/dbraw/zinc/73/01/77/519730177.db2.gz RBMKINUAEMVUHI-CYBMUJFWSA-N 1 3 252.402 3.254 10 0 CGAEHO CCN(Cc1cc(C[NH2+]C(C)(C)C)co1)C1CC1 ZINC000052452115 521289141 /nfs/dbraw/zinc/28/91/41/521289141.db2.gz NKMJVCBYVAQGTA-UHFFFAOYSA-N 1 3 250.386 3.152 10 0 CGAEHO Cc1ccc([C@H](C)N2[C@@H]3CCC[C@H]2CC([NH3+])C3)s1 ZINC000054602475 525884075 /nfs/dbraw/zinc/88/40/75/525884075.db2.gz IPHGOYJSCPVQCE-FUDCBSFHSA-N 1 3 264.438 3.462 10 0 CGAEHO CC1CCC(C[NH2+]C[C@@H]2CCCCN(C)C2)CC1 ZINC000623657559 349860239 /nfs/dbraw/zinc/86/02/39/349860239.db2.gz ULAGQLNQXVCUSV-GPANFISMSA-N 1 3 252.446 3.134 10 0 CGAEHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000309814442 374199804 /nfs/dbraw/zinc/19/98/04/374199804.db2.gz XLILZAXXWNGGPK-GYFISPQKSA-N 1 3 284.447 3.285 10 0 CGAEHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248402281 377308114 /nfs/dbraw/zinc/30/81/14/377308114.db2.gz NANMBGQONTXKOV-FTWQHDNSSA-N 1 3 284.447 3.285 10 0 CGAEHO C[C@H](N[C@@H](c1ccccc1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000562958657 377378384 /nfs/dbraw/zinc/37/83/84/377378384.db2.gz JRNOXTCSLCMJTO-JQFCIGGWSA-N 1 3 258.409 3.115 10 0 CGAEHO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)[C@H]1CCCNC1 ZINC000562958657 377378393 /nfs/dbraw/zinc/37/83/93/377378393.db2.gz JRNOXTCSLCMJTO-JQFCIGGWSA-N 1 3 258.409 3.115 10 0 CGAEHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccn(C)c1 ZINC000269017805 378174046 /nfs/dbraw/zinc/17/40/46/378174046.db2.gz YWZQBNUIDBCTHS-QFBILLFUSA-N 1 3 297.446 3.025 10 0 CGAEHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccn(C)c1 ZINC000269017805 378174050 /nfs/dbraw/zinc/17/40/50/378174050.db2.gz YWZQBNUIDBCTHS-QFBILLFUSA-N 1 3 297.446 3.025 10 0 CGAEHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1CN ZINC000397396309 542617637 /nfs/dbraw/zinc/61/76/37/542617637.db2.gz GMTZSNWUZKZVDR-RQJABVFESA-N 1 3 274.399 3.117 10 0 CGAEHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1CN ZINC000397396309 542617641 /nfs/dbraw/zinc/61/76/41/542617641.db2.gz GMTZSNWUZKZVDR-RQJABVFESA-N 1 3 274.399 3.117 10 0 CGAEHO C[C@@H]1C[C@H](C)N(C[C@@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000397396309 542617643 /nfs/dbraw/zinc/61/76/43/542617643.db2.gz GMTZSNWUZKZVDR-RQJABVFESA-N 1 3 274.399 3.117 10 0 CGAEHO Cc1ccc(CNCc2ccccc2C[NH+](C)C)cc1 ZINC000020128558 171015266 /nfs/dbraw/zinc/01/52/66/171015266.db2.gz YHPMLDDESFABSV-UHFFFAOYSA-N 1 3 268.404 3.346 10 0 CGAEHO CCCN(CCC[NH3+])c1cc(C)nc2ccccc21 ZINC000035697567 172365968 /nfs/dbraw/zinc/36/59/68/172365968.db2.gz SZRLSMZIRGMEIX-UHFFFAOYSA-N 1 3 257.381 3.108 10 0 CGAEHO CC(C)(C)NCCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000045086651 175304546 /nfs/dbraw/zinc/30/45/46/175304546.db2.gz QAZQQIPYYNQEHF-HNNXBMFYSA-N 1 3 252.446 3.419 10 0 CGAEHO CC(C)(C)NCCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000045086651 175304547 /nfs/dbraw/zinc/30/45/47/175304547.db2.gz QAZQQIPYYNQEHF-HNNXBMFYSA-N 1 3 252.446 3.419 10 0 CGAEHO CCCc1ccc([C@H](C)N2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071141787 176039557 /nfs/dbraw/zinc/03/95/57/176039557.db2.gz GYLDSHWJIQSDIQ-GOEBONIOSA-N 1 3 260.425 3.241 10 0 CGAEHO CCNCc1cc(C[N@H+](C)C(CC)CC)c(C)o1 ZINC000052478229 519988719 /nfs/dbraw/zinc/98/87/19/519988719.db2.gz IGTLMGOAVKOIRK-UHFFFAOYSA-N 1 3 252.402 3.318 10 0 CGAEHO CCNCc1cc(C[N@@H+](C)C(CC)CC)c(C)o1 ZINC000052478229 519988726 /nfs/dbraw/zinc/98/87/26/519988726.db2.gz IGTLMGOAVKOIRK-UHFFFAOYSA-N 1 3 252.402 3.318 10 0 CGAEHO CNCc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)oc1C ZINC000052546642 522102638 /nfs/dbraw/zinc/10/26/38/522102638.db2.gz FVOBXCIFWQHMPX-LRDDRELGSA-N 1 3 264.413 3.318 10 0 CGAEHO CNCc1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)oc1C ZINC000052546642 522102650 /nfs/dbraw/zinc/10/26/50/522102650.db2.gz FVOBXCIFWQHMPX-LRDDRELGSA-N 1 3 264.413 3.318 10 0 CGAEHO CC(C)C[NH2+]C[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000053012236 519746141 /nfs/dbraw/zinc/74/61/41/519746141.db2.gz UNAOSVMMKIKPFN-JKSUJKDBSA-N 1 3 260.425 3.315 10 0 CGAEHO CCCNCc1occc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000052479104 519972351 /nfs/dbraw/zinc/97/23/51/519972351.db2.gz HSCVAYQDBVCIQH-LBPRGKRZSA-N 1 3 250.386 3.010 10 0 CGAEHO CCCNCc1occc1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000052479104 519972359 /nfs/dbraw/zinc/97/23/59/519972359.db2.gz HSCVAYQDBVCIQH-LBPRGKRZSA-N 1 3 250.386 3.010 10 0 CGAEHO CCCCCCN1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000062668344 520078934 /nfs/dbraw/zinc/07/89/34/520078934.db2.gz PVKYMDNVXHPOFX-GOSISDBHSA-N 1 3 274.452 3.473 10 0 CGAEHO C[C@H]1CN(CCCCC[NH2+]C(C)(C)C)CC(C)(C)O1 ZINC000052543580 524589728 /nfs/dbraw/zinc/58/97/28/524589728.db2.gz OHRAOMPHVSCLHO-AWEZNQCLSA-N 1 3 270.461 3.044 10 0 CGAEHO c1cc(CNC2CC2)cc(C[NH+]2CCCCCC2)c1 ZINC000052381837 526426641 /nfs/dbraw/zinc/42/66/41/526426641.db2.gz ZEEMABYNSUHMHV-UHFFFAOYSA-N 1 3 258.409 3.315 10 0 CGAEHO Cc1oc(C[NH2+]CC(C)C)cc1CN1CC[C@@H](C)C1 ZINC000052484677 526774670 /nfs/dbraw/zinc/77/46/70/526774670.db2.gz ROUNYMAQSFZLII-CYBMUJFWSA-N 1 3 264.413 3.175 10 0 CGAEHO FC(F)(F)C1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000127914964 370957375 /nfs/dbraw/zinc/95/73/75/370957375.db2.gz IRLBTFNPHZSXST-NWINJMCUSA-N 1 3 290.373 3.324 10 0 CGAEHO FC(F)(F)C1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000127915471 370958001 /nfs/dbraw/zinc/95/80/01/370958001.db2.gz IRLBTFNPHZSXST-CLRIEMFWSA-N 1 3 290.373 3.324 10 0 CGAEHO Cc1c([C@H](C)[NH2+]CC(C)(C)CN(C)C)cnn1C(C)(C)C ZINC000191103378 375577620 /nfs/dbraw/zinc/57/76/20/375577620.db2.gz RHICZPMJWAOMIV-ZDUSSCGKSA-N 1 3 294.487 3.185 10 0 CGAEHO c1cc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC000374603697 379466406 /nfs/dbraw/zinc/46/64/06/379466406.db2.gz LEMLFVYHFBSPEG-IPMKNSEASA-N 1 3 295.430 3.015 10 0 CGAEHO c1cc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC000374603697 379466413 /nfs/dbraw/zinc/46/64/13/379466413.db2.gz LEMLFVYHFBSPEG-IPMKNSEASA-N 1 3 295.430 3.015 10 0 CGAEHO c1cc(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c[nH]1 ZINC000374603697 379466419 /nfs/dbraw/zinc/46/64/19/379466419.db2.gz LEMLFVYHFBSPEG-IPMKNSEASA-N 1 3 295.430 3.015 10 0 CGAEHO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000189915716 130038216 /nfs/dbraw/zinc/03/82/16/130038216.db2.gz AFJHEPOEUBLEAM-RDJZCZTQSA-N 1 3 298.434 3.007 10 0 CGAEHO C[C@H](NCC[C@@H]1CCC[N@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000189915716 130038218 /nfs/dbraw/zinc/03/82/18/130038218.db2.gz AFJHEPOEUBLEAM-RDJZCZTQSA-N 1 3 298.434 3.007 10 0 CGAEHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1cccc(-n2ccnc2)c1 ZINC000189915716 130038219 /nfs/dbraw/zinc/03/82/19/130038219.db2.gz AFJHEPOEUBLEAM-RDJZCZTQSA-N 1 3 298.434 3.007 10 0 CGAEHO CC(C)(C)[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000079356337 287055655 /nfs/dbraw/zinc/05/56/55/287055655.db2.gz VNFBWJOBVVNKKH-HOCLYGCPSA-N 1 3 252.446 3.134 10 0 CGAEHO CC[C@H]1CC[C@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1 ZINC000080428121 287065254 /nfs/dbraw/zinc/06/52/54/287065254.db2.gz IBSSFHLQUHDEEA-STQMWFEESA-N 1 3 252.446 3.464 10 0 CGAEHO CCCn1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000091012542 165250563 /nfs/dbraw/zinc/25/05/63/165250563.db2.gz PAAPUYZBEJLYJA-UHFFFAOYSA-N 1 3 277.456 3.251 10 0 CGAEHO CN(C)Cc1ccccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000020128666 171015154 /nfs/dbraw/zinc/01/51/54/171015154.db2.gz CBYJURFHSJLYMG-OAHLLOKOSA-N 1 3 258.409 3.194 10 0 CGAEHO C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2CN(C)C)C1 ZINC000020128577 171015305 /nfs/dbraw/zinc/01/53/05/171015305.db2.gz KNVYDKDYZZTIMO-WMLDXEAASA-N 1 3 260.425 3.417 10 0 CGAEHO CN(C)Cc1ccccc1C[NH2+]CCc1ccccc1 ZINC000020128580 171015353 /nfs/dbraw/zinc/01/53/53/171015353.db2.gz RSAFATRSWZTEDP-UHFFFAOYSA-N 1 3 268.404 3.081 10 0 CGAEHO C[C@@H]1CCC[C@](CN)([N@H+](C)Cc2ccsc2)C1 ZINC000035719093 172372936 /nfs/dbraw/zinc/37/29/36/172372936.db2.gz QSWALIJOQCYCQK-OCCSQVGLSA-N 1 3 252.427 3.088 10 0 CGAEHO C[C@@H]1CCC[C@](CN)([N@@H+](C)Cc2ccsc2)C1 ZINC000035719093 172372937 /nfs/dbraw/zinc/37/29/37/172372937.db2.gz QSWALIJOQCYCQK-OCCSQVGLSA-N 1 3 252.427 3.088 10 0 CGAEHO Cc1ccc([C@@H](C[NH3+])N2CCCCCCC2)s1 ZINC000036906771 172795480 /nfs/dbraw/zinc/79/54/80/172795480.db2.gz TYRQEBPIOZPRML-CYBMUJFWSA-N 1 3 252.427 3.322 10 0 CGAEHO CCC1CCC(C[NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000562958366 289746448 /nfs/dbraw/zinc/74/64/48/289746448.db2.gz GSPZZCJAUINGGL-LMPOIIKSSA-N 1 3 252.446 3.181 10 0 CGAEHO CC(C)NCc1occc1C[N@H+]1CCC[C@@H](C)C1 ZINC000052381318 519730360 /nfs/dbraw/zinc/73/03/60/519730360.db2.gz CKADYKHNAFNDNK-CYBMUJFWSA-N 1 3 250.386 3.010 10 0 CGAEHO CC[NH2+]Cc1cc(CN(C)CCC(C)C)oc1C ZINC000052545829 519986396 /nfs/dbraw/zinc/98/63/96/519986396.db2.gz UYWWDAPBYOFBBD-UHFFFAOYSA-N 1 3 252.402 3.175 10 0 CGAEHO CCC(CC)C[N@H+](CC)Cc1ccoc1CNC ZINC000052540661 521520556 /nfs/dbraw/zinc/52/05/56/521520556.db2.gz WMHGADRJMAASPT-UHFFFAOYSA-N 1 3 252.402 3.257 10 0 CGAEHO CCC(CC)C[N@@H+](CC)Cc1ccoc1CNC ZINC000052540661 521520563 /nfs/dbraw/zinc/52/05/63/521520563.db2.gz WMHGADRJMAASPT-UHFFFAOYSA-N 1 3 252.402 3.257 10 0 CGAEHO CC(C)NCc1occc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000052381318 519730357 /nfs/dbraw/zinc/73/03/57/519730357.db2.gz CKADYKHNAFNDNK-CYBMUJFWSA-N 1 3 250.386 3.010 10 0 CGAEHO CC(C)[C@H](N[C@H](C)CC[NH+](C)C)c1cccs1 ZINC000049554146 519821557 /nfs/dbraw/zinc/82/15/57/519821557.db2.gz OFIROSGVRQXBGK-OCCSQVGLSA-N 1 3 254.443 3.375 10 0 CGAEHO CCCNC[C@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000053011171 519937163 /nfs/dbraw/zinc/93/71/63/519937163.db2.gz RASNVGXHJGLKCA-OAHLLOKOSA-N 1 3 252.446 3.421 10 0 CGAEHO CCCNC[C@H]1CC[N@H+](C2CCCCCCC2)C1 ZINC000053011171 519937171 /nfs/dbraw/zinc/93/71/71/519937171.db2.gz RASNVGXHJGLKCA-OAHLLOKOSA-N 1 3 252.446 3.421 10 0 CGAEHO CCCNCc1ccoc1C[N@H+](CC)CC(C)C ZINC000052449583 519958602 /nfs/dbraw/zinc/95/86/02/519958602.db2.gz LRQGXVCOCYFZQA-UHFFFAOYSA-N 1 3 252.402 3.257 10 0 CGAEHO CCCNCc1ccoc1C[N@@H+](CC)CC(C)C ZINC000052449583 519958610 /nfs/dbraw/zinc/95/86/10/519958610.db2.gz LRQGXVCOCYFZQA-UHFFFAOYSA-N 1 3 252.402 3.257 10 0 CGAEHO CCNCc1ccc(C[NH+]2CCCCCCC2)o1 ZINC000052424938 519995810 /nfs/dbraw/zinc/99/58/10/519995810.db2.gz NTMOJDFDCIRWOH-UHFFFAOYSA-N 1 3 250.386 3.155 10 0 CGAEHO C[NH2+]CCC[C@@H](C)N(C)Cc1ccc(Cl)s1 ZINC000052509100 521997343 /nfs/dbraw/zinc/99/73/43/521997343.db2.gz JGFYTEADOZJNMC-SNVBAGLBSA-N 1 3 260.834 3.221 10 0 CGAEHO CC[C@H]1CCCC[N@@H+]1Cc1cc(C)c(CNC)o1 ZINC000052447998 523027410 /nfs/dbraw/zinc/02/74/10/523027410.db2.gz BNJMUYDUKKQMPV-ZDUSSCGKSA-N 1 3 250.386 3.072 10 0 CGAEHO CC[C@H]1CCCC[N@H+]1Cc1cc(C)c(CNC)o1 ZINC000052447998 523027423 /nfs/dbraw/zinc/02/74/23/523027423.db2.gz BNJMUYDUKKQMPV-ZDUSSCGKSA-N 1 3 250.386 3.072 10 0 CGAEHO C[C@H]1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCCN1C ZINC000052206111 526260683 /nfs/dbraw/zinc/26/06/83/526260683.db2.gz UCZWZECWKLGNKD-JYJNAYRXSA-N 1 3 252.446 3.277 10 0 CGAEHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000423373706 527810682 /nfs/dbraw/zinc/81/06/82/527810682.db2.gz JJMJCIYFMNVXAX-YIDVYQOGSA-N 1 3 252.446 3.177 10 0 CGAEHO CC(C)Cc1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131759171 528649672 /nfs/dbraw/zinc/64/96/72/528649672.db2.gz CCOINQJASBKZKE-WMLDXEAASA-N 1 3 260.425 3.054 10 0 CGAEHO c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246982771 377131329 /nfs/dbraw/zinc/13/13/29/377131329.db2.gz VYGRODUMUMAURC-FUHWJXTLSA-N 1 3 270.420 3.135 10 0 CGAEHO c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246982771 377131334 /nfs/dbraw/zinc/13/13/34/377131334.db2.gz VYGRODUMUMAURC-FUHWJXTLSA-N 1 3 270.420 3.135 10 0 CGAEHO CC(C)(CC[NH3+])NCc1ccc(Cl)c(Cl)c1 ZINC000258698464 377798222 /nfs/dbraw/zinc/79/82/22/377798222.db2.gz BZGWZQDNOMXQLH-UHFFFAOYSA-N 1 3 261.196 3.210 10 0 CGAEHO C1[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCCC2 ZINC000335334163 392789864 /nfs/dbraw/zinc/78/98/64/392789864.db2.gz XNQLWWSFRWMGID-INIZCTEOSA-N 1 3 262.441 3.316 10 0 CGAEHO C1[C@H](NC2CC[NH+](C3CCCC3)CC2)C12CCCC2 ZINC000335334163 392789870 /nfs/dbraw/zinc/78/98/70/392789870.db2.gz XNQLWWSFRWMGID-INIZCTEOSA-N 1 3 262.441 3.316 10 0 CGAEHO Cc1ccc(C)c(OCCC[N@H+]2CCCC[C@@H]2[C@@H](C)N)c1 ZINC000063195381 165030400 /nfs/dbraw/zinc/03/04/00/165030400.db2.gz MBACSRNGRZXTLY-IAGOWNOFSA-N 1 3 290.451 3.274 10 0 CGAEHO Cc1ccc(C)c(OCCC[N@@H+]2CCCC[C@@H]2[C@@H](C)N)c1 ZINC000063195381 165030403 /nfs/dbraw/zinc/03/04/03/165030403.db2.gz MBACSRNGRZXTLY-IAGOWNOFSA-N 1 3 290.451 3.274 10 0 CGAEHO CN(Cc1ccc(C(C)(C)C)cc1)CC(C)(C)C[NH3+] ZINC000093873087 165339522 /nfs/dbraw/zinc/33/95/22/165339522.db2.gz HDNGCXSWNRVHHQ-UHFFFAOYSA-N 1 3 262.441 3.401 10 0 CGAEHO C[N@H+](Cc1ccc(C(C)(C)C)cc1)CC(C)(C)CN ZINC000093873087 165339525 /nfs/dbraw/zinc/33/95/25/165339525.db2.gz HDNGCXSWNRVHHQ-UHFFFAOYSA-N 1 3 262.441 3.401 10 0 CGAEHO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)CC(C)(C)CN ZINC000093873087 165339528 /nfs/dbraw/zinc/33/95/28/165339528.db2.gz HDNGCXSWNRVHHQ-UHFFFAOYSA-N 1 3 262.441 3.401 10 0 CGAEHO C[N@@H+]1CC[C@H](CNCc2cc(-c3ccccc3)cs2)C1 ZINC000038030849 174023936 /nfs/dbraw/zinc/02/39/36/174023936.db2.gz PWFQXBVVWKJZCI-CQSZACIVSA-N 1 3 286.444 3.456 10 0 CGAEHO C[N@H+]1CC[C@H](CNCc2cc(-c3ccccc3)cs2)C1 ZINC000038030849 174023937 /nfs/dbraw/zinc/02/39/37/174023937.db2.gz PWFQXBVVWKJZCI-CQSZACIVSA-N 1 3 286.444 3.456 10 0 CGAEHO CCNCc1cc(C[N@H+](C)C[C@@H](C)CC)c(C)o1 ZINC000052454392 519987389 /nfs/dbraw/zinc/98/73/89/519987389.db2.gz AZUGPTQYTOIURC-LBPRGKRZSA-N 1 3 252.402 3.175 10 0 CGAEHO CCNCc1cc(C[N@@H+](C)C[C@@H](C)CC)c(C)o1 ZINC000052454392 519987395 /nfs/dbraw/zinc/98/73/95/519987395.db2.gz AZUGPTQYTOIURC-LBPRGKRZSA-N 1 3 252.402 3.175 10 0 CGAEHO CCC(CC)[N@H+](C)Cc1occc1CNC1CC1 ZINC000052478035 521543834 /nfs/dbraw/zinc/54/38/34/521543834.db2.gz WZCAFIOMXXBEEH-UHFFFAOYSA-N 1 3 250.386 3.152 10 0 CGAEHO CCC(CC)[N@@H+](C)Cc1occc1CNC1CC1 ZINC000052478035 521543842 /nfs/dbraw/zinc/54/38/42/521543842.db2.gz WZCAFIOMXXBEEH-UHFFFAOYSA-N 1 3 250.386 3.152 10 0 CGAEHO CC(C)NCc1occc1C[N@@H+]1CCCC[C@H]1C ZINC000052378749 519730153 /nfs/dbraw/zinc/73/01/53/519730153.db2.gz YCUIXHOKWRPPNI-CYBMUJFWSA-N 1 3 250.386 3.152 10 0 CGAEHO CC(C)NCc1occc1C[N@H+]1CCCC[C@H]1C ZINC000052378749 519730154 /nfs/dbraw/zinc/73/01/54/519730154.db2.gz YCUIXHOKWRPPNI-CYBMUJFWSA-N 1 3 250.386 3.152 10 0 CGAEHO CC(C)[NH2+]Cc1occc1CN1CCCC[C@H]1C ZINC000052378749 519730155 /nfs/dbraw/zinc/73/01/55/519730155.db2.gz YCUIXHOKWRPPNI-CYBMUJFWSA-N 1 3 250.386 3.152 10 0 CGAEHO CC(C)C[NH2+]Cc1c2ccccc2oc1CN(C)C ZINC000052422824 519746605 /nfs/dbraw/zinc/74/66/05/519746605.db2.gz LXCURQLFSPFIRD-UHFFFAOYSA-N 1 3 260.381 3.240 10 0 CGAEHO CC[N@@H+](Cc1ccccc1CNC1CC1)CC(C)C ZINC000052449945 521380134 /nfs/dbraw/zinc/38/01/34/521380134.db2.gz XVHXYWSESJCCDO-UHFFFAOYSA-N 1 3 260.425 3.417 10 0 CGAEHO CC[N@H+](Cc1ccccc1CNC1CC1)CC(C)C ZINC000052449945 521380140 /nfs/dbraw/zinc/38/01/40/521380140.db2.gz XVHXYWSESJCCDO-UHFFFAOYSA-N 1 3 260.425 3.417 10 0 CGAEHO CNCc1ccoc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000052517498 522143437 /nfs/dbraw/zinc/14/34/37/522143437.db2.gz OQTFQRFZWFBHBM-HNNXBMFYSA-N 1 3 262.397 3.154 10 0 CGAEHO CNCc1ccoc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000052517498 522143441 /nfs/dbraw/zinc/14/34/41/522143441.db2.gz OQTFQRFZWFBHBM-HNNXBMFYSA-N 1 3 262.397 3.154 10 0 CGAEHO CC[C@H]1CCC[N@@H+]1Cc1oc2ccccc2c1CN ZINC000052375211 523111725 /nfs/dbraw/zinc/11/17/25/523111725.db2.gz DVIHRSYUGJRJGU-LBPRGKRZSA-N 1 3 258.365 3.266 10 0 CGAEHO CC[C@H]1CCC[N@H+]1Cc1oc2ccccc2c1CN ZINC000052375211 523111736 /nfs/dbraw/zinc/11/17/36/523111736.db2.gz DVIHRSYUGJRJGU-LBPRGKRZSA-N 1 3 258.365 3.266 10 0 CGAEHO Cc1cc(C)c(C[N@@H+]2CCCC[C@@H]2CCN)c(C)c1 ZINC000111380850 524261172 /nfs/dbraw/zinc/26/11/72/524261172.db2.gz MUYTYMWYMBOJOA-MRXNPFEDSA-N 1 3 260.425 3.315 10 0 CGAEHO Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2CCN)c(C)c1 ZINC000111380850 524261185 /nfs/dbraw/zinc/26/11/85/524261185.db2.gz MUYTYMWYMBOJOA-MRXNPFEDSA-N 1 3 260.425 3.315 10 0 CGAEHO C[C@@H](c1cccs1)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602025 526147250 /nfs/dbraw/zinc/14/72/50/526147250.db2.gz DEAPIKSRAWTHMQ-WODVXLOZSA-N 1 3 250.411 3.153 10 0 CGAEHO C[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)[C@@H]1CCN ZINC000404374388 572330904 /nfs/dbraw/zinc/33/09/04/572330904.db2.gz RSAJFKOHTXZSIU-MGPQQGTHSA-N 1 3 274.399 3.261 10 0 CGAEHO C[C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)[C@@H]1CCN ZINC000404374388 572330909 /nfs/dbraw/zinc/33/09/09/572330909.db2.gz RSAJFKOHTXZSIU-MGPQQGTHSA-N 1 3 274.399 3.261 10 0 CGAEHO [NH3+]CCCN1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC000034221227 344938669 /nfs/dbraw/zinc/93/86/69/344938669.db2.gz BBWBICPCWYPQCF-UHFFFAOYSA-N 1 3 294.442 3.417 10 0 CGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC1=[NH+]CCCC1 ZINC000306583279 346455363 /nfs/dbraw/zinc/45/53/63/346455363.db2.gz PPEFHSHXCCTGKC-WBVHZDCISA-N 1 3 285.435 3.069 10 0 CGAEHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC1=[NH+]CCCC1 ZINC000306583277 346455450 /nfs/dbraw/zinc/45/54/50/346455450.db2.gz PPEFHSHXCCTGKC-NVXWUHKLSA-N 1 3 285.435 3.069 10 0 CGAEHO C[C@@H](N[C@@H](C)c1cc(F)ccc1F)C1CC[NH+](C)CC1 ZINC000036921813 541860454 /nfs/dbraw/zinc/86/04/54/541860454.db2.gz BDMIZKKWXQUAFO-NEPJUHHUSA-N 1 3 282.378 3.346 10 0 CGAEHO CC(C)[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000562958991 377379953 /nfs/dbraw/zinc/37/99/53/377379953.db2.gz IUAIYCWSNSESDB-OIISXLGYSA-N 1 3 260.425 3.361 10 0 CGAEHO CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)c1ccccc1 ZINC000562958991 377379959 /nfs/dbraw/zinc/37/99/59/377379959.db2.gz IUAIYCWSNSESDB-OIISXLGYSA-N 1 3 260.425 3.361 10 0 CGAEHO [NH3+]Cc1ccc(F)c(CN2CCCCCCC2)c1 ZINC000020265080 171121475 /nfs/dbraw/zinc/12/14/75/171121475.db2.gz ZYZYAEISJLEKCY-UHFFFAOYSA-N 1 3 250.361 3.051 10 0 CGAEHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000580541203 335250383 /nfs/dbraw/zinc/25/03/83/335250383.db2.gz NIERWRUOKGDLKO-VGWMRTNUSA-N 1 3 252.446 3.179 10 0 CGAEHO CCNCc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)o1 ZINC000052373296 519995019 /nfs/dbraw/zinc/99/50/19/519995019.db2.gz QSICQUSWHXYKJY-STQMWFEESA-N 1 3 250.386 3.010 10 0 CGAEHO CCNCc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)o1 ZINC000052373296 519995027 /nfs/dbraw/zinc/99/50/27/519995027.db2.gz QSICQUSWHXYKJY-STQMWFEESA-N 1 3 250.386 3.010 10 0 CGAEHO CCCCC[N@H+](Cc1occc1CNC)C(C)C ZINC000052544761 520177761 /nfs/dbraw/zinc/17/77/61/520177761.db2.gz HQENKSDRPVOVPL-UHFFFAOYSA-N 1 3 252.402 3.400 10 0 CGAEHO CCCCC[N@@H+](Cc1occc1CNC)C(C)C ZINC000052544761 520177769 /nfs/dbraw/zinc/17/77/69/520177769.db2.gz HQENKSDRPVOVPL-UHFFFAOYSA-N 1 3 252.402 3.400 10 0 CGAEHO CCCC[N@H+](CC)Cc1cc(CNC2CC2)co1 ZINC000052418799 520478802 /nfs/dbraw/zinc/47/88/02/520478802.db2.gz XVZNVKDAEDDSAV-UHFFFAOYSA-N 1 3 250.386 3.154 10 0 CGAEHO CCCC[N@@H+](CC)Cc1cc(CNC2CC2)co1 ZINC000052418799 520478808 /nfs/dbraw/zinc/47/88/08/520478808.db2.gz XVZNVKDAEDDSAV-UHFFFAOYSA-N 1 3 250.386 3.154 10 0 CGAEHO C[N@H+]([C@@H](CNC1CC1)c1ccccc1)C1CCCC1 ZINC000052445043 523623664 /nfs/dbraw/zinc/62/36/64/523623664.db2.gz PIUJFRSJZOJBGC-KRWDZBQOSA-N 1 3 258.409 3.354 10 0 CGAEHO C[N@@H+]([C@@H](CNC1CC1)c1ccccc1)C1CCCC1 ZINC000052445043 523623669 /nfs/dbraw/zinc/62/36/69/523623669.db2.gz PIUJFRSJZOJBGC-KRWDZBQOSA-N 1 3 258.409 3.354 10 0 CGAEHO C([C@@H]1CCCN(C2CCC2)C1)[NH+]1CCCCCC1 ZINC000178990477 373825526 /nfs/dbraw/zinc/82/55/26/373825526.db2.gz DPNAWKWCTWZJDG-HNNXBMFYSA-N 1 3 250.430 3.127 10 0 CGAEHO CN1CCC[C@H]2C[N@H+](CCCc3cccc(F)c3)CC[C@H]21 ZINC000245522017 376841738 /nfs/dbraw/zinc/84/17/38/376841738.db2.gz LHHROMZZNUGNMK-FUHWJXTLSA-N 1 3 290.426 3.174 10 0 CGAEHO CN1CCC[C@H]2C[N@@H+](CCCc3cccc(F)c3)CC[C@H]21 ZINC000245522017 376841744 /nfs/dbraw/zinc/84/17/44/376841744.db2.gz LHHROMZZNUGNMK-FUHWJXTLSA-N 1 3 290.426 3.174 10 0 CGAEHO C[N@@H+]1CCC[C@H]2CN(CCCc3cccc(F)c3)CC[C@H]21 ZINC000245522017 376841751 /nfs/dbraw/zinc/84/17/51/376841751.db2.gz LHHROMZZNUGNMK-FUHWJXTLSA-N 1 3 290.426 3.174 10 0 CGAEHO C[N@H+]1CCC[C@H]2CN(CCCc3cccc(F)c3)CC[C@H]21 ZINC000245522017 376841757 /nfs/dbraw/zinc/84/17/57/376841757.db2.gz LHHROMZZNUGNMK-FUHWJXTLSA-N 1 3 290.426 3.174 10 0 CGAEHO CC[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000400399446 379949749 /nfs/dbraw/zinc/94/97/49/379949749.db2.gz KDKVUSHLAZEVQZ-WHOFXGATSA-N 1 3 266.816 3.379 10 0 CGAEHO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1CN(C)C ZINC000020128573 171015566 /nfs/dbraw/zinc/01/55/66/171015566.db2.gz CZLGLUVEMVJZJP-YOEHRIQHSA-N 1 3 260.425 3.417 10 0 CGAEHO CCNCc1cc(Cl)cc(Cl)c1OCC[NH+](C)C ZINC000035662053 172340673 /nfs/dbraw/zinc/34/06/73/172340673.db2.gz REURHVAGIJZGRR-UHFFFAOYSA-N 1 3 291.222 3.043 10 0 CGAEHO C[C@@H](NC1CCC(C(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000385968796 336163569 /nfs/dbraw/zinc/16/35/69/336163569.db2.gz GLURQKLFVSYAJJ-IKWCTNDRSA-N 1 3 278.362 3.228 10 0 CGAEHO CC(C)[NH2+]Cc1coc(CN2CCC[C@@H](C)C2)c1 ZINC000052381472 519728484 /nfs/dbraw/zinc/72/84/84/519728484.db2.gz NXHYUNWPGKUMQR-CYBMUJFWSA-N 1 3 250.386 3.010 10 0 CGAEHO CNCc1cc(C[N@H+](C)C2CCCCC2)oc1C ZINC000052419284 522103901 /nfs/dbraw/zinc/10/39/01/522103901.db2.gz GOTUZSABPYLBFW-UHFFFAOYSA-N 1 3 250.386 3.072 10 0 CGAEHO CNCc1cc(C[N@@H+](C)C2CCCCC2)oc1C ZINC000052419284 522103921 /nfs/dbraw/zinc/10/39/21/522103921.db2.gz GOTUZSABPYLBFW-UHFFFAOYSA-N 1 3 250.386 3.072 10 0 CGAEHO CC(C)C[NH2+]Cc1ccc(CN2CCC[C@H](C)C2)o1 ZINC000052381283 519747044 /nfs/dbraw/zinc/74/70/44/519747044.db2.gz CFLUKXLWINYYQI-AWEZNQCLSA-N 1 3 264.413 3.257 10 0 CGAEHO CC(C)C[NH2+]Cc1ccc(OCCN(C)C)c(Cl)c1 ZINC000062730334 519747317 /nfs/dbraw/zinc/74/73/17/519747317.db2.gz OEGSGBZSDBWPRL-UHFFFAOYSA-N 1 3 284.831 3.026 10 0 CGAEHO CCNCc1occc1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000052504397 520029663 /nfs/dbraw/zinc/02/96/63/520029663.db2.gz BKOSGZKDKRKKQQ-GFCCVEGCSA-N 1 3 252.402 3.256 10 0 CGAEHO CCNCc1occc1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000052504397 520029672 /nfs/dbraw/zinc/02/96/72/520029672.db2.gz BKOSGZKDKRKKQQ-GFCCVEGCSA-N 1 3 252.402 3.256 10 0 CGAEHO CCc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000311885937 572350028 /nfs/dbraw/zinc/35/00/28/572350028.db2.gz CHCKVWBVYIZZBI-JKIFEVAISA-N 1 3 260.425 3.227 10 0 CGAEHO CCc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000311885937 572350032 /nfs/dbraw/zinc/35/00/32/572350032.db2.gz CHCKVWBVYIZZBI-JKIFEVAISA-N 1 3 260.425 3.227 10 0 CGAEHO Cc1cccc2c(NC[C@H](C3CC3)[NH+](C)C)ccnc12 ZINC000091481823 345816671 /nfs/dbraw/zinc/81/66/71/345816671.db2.gz QEWCJOLDMHDIFV-MRXNPFEDSA-N 1 3 269.392 3.295 10 0 CGAEHO CSCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390848238 346575096 /nfs/dbraw/zinc/57/50/96/346575096.db2.gz GTGZBRRKGRXSPU-ALOPSCKCSA-N 1 3 290.476 3.135 10 0 CGAEHO CSCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390848238 346575099 /nfs/dbraw/zinc/57/50/99/346575099.db2.gz GTGZBRRKGRXSPU-ALOPSCKCSA-N 1 3 290.476 3.135 10 0 CGAEHO Cc1cccc2c(NCC3([NH+](C)C)CCOCC3)ccnc12 ZINC000301696876 201144465 /nfs/dbraw/zinc/14/44/65/201144465.db2.gz ZJFYNTVVVQQZOU-UHFFFAOYSA-N 1 3 299.418 3.066 10 0 CGAEHO C[C@@H]([NH2+][C@@H](C)C1CCN(C)CC1)c1cccs1 ZINC000037221410 541863888 /nfs/dbraw/zinc/86/38/88/541863888.db2.gz LBQWYHXJIOCGTN-NWDGAFQWSA-N 1 3 252.427 3.129 10 0 CGAEHO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CN(C)C)C1 ZINC000020128578 171015708 /nfs/dbraw/zinc/01/57/08/171015708.db2.gz KNVYDKDYZZTIMO-PBHICJAKSA-N 1 3 260.425 3.417 10 0 CGAEHO Cc1cc(OCCN2C[C@@H](C[NH3+])C[C@@H]2C)ccc1C(C)C ZINC000131526701 287382774 /nfs/dbraw/zinc/38/27/74/287382774.db2.gz AGKPHSZJBBJDBU-JKSUJKDBSA-N 1 3 290.451 3.166 10 0 CGAEHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c2ccccc21 ZINC000394036513 260162568 /nfs/dbraw/zinc/16/25/68/260162568.db2.gz HLLZLGVSEZPKLC-UTJXIGIESA-N 1 3 258.409 3.152 10 0 CGAEHO C[C@@H]1C[C@H]([N@H+]2C[C@@H](C)[C@](C)(CN)C2)c2ccccc21 ZINC000394036513 260162570 /nfs/dbraw/zinc/16/25/70/260162570.db2.gz HLLZLGVSEZPKLC-UTJXIGIESA-N 1 3 258.409 3.152 10 0 CGAEHO CSc1ccc([C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000394047309 288001530 /nfs/dbraw/zinc/00/15/30/288001530.db2.gz MXWNLGBVPSJNEK-DVOMOZLQSA-N 1 3 278.465 3.386 10 0 CGAEHO CSc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000394047309 288001534 /nfs/dbraw/zinc/00/15/34/288001534.db2.gz MXWNLGBVPSJNEK-DVOMOZLQSA-N 1 3 278.465 3.386 10 0 CGAEHO CSc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000394047309 288001537 /nfs/dbraw/zinc/00/15/37/288001537.db2.gz MXWNLGBVPSJNEK-DVOMOZLQSA-N 1 3 278.465 3.386 10 0 CGAEHO CCC[NH2+]CCC[C@H](C)N(Cc1ccco1)C1CC1 ZINC000052370889 519913419 /nfs/dbraw/zinc/91/34/19/519913419.db2.gz FPHZBCQPESHYAA-AWEZNQCLSA-N 1 3 264.413 3.412 10 0 CGAEHO C[C@@H](C1CCCCC1)[N@@H+]1CC[C@H](C)NC[C@@H](C)C1 ZINC000052342430 524336987 /nfs/dbraw/zinc/33/69/87/524336987.db2.gz JWXJPFDIKBHDNA-ILXRZTDVSA-N 1 3 252.446 3.275 10 0 CGAEHO C[C@@H](C1CCCCC1)[N@H+]1CC[C@H](C)NC[C@@H](C)C1 ZINC000052342430 524336996 /nfs/dbraw/zinc/33/69/96/524336996.db2.gz JWXJPFDIKBHDNA-ILXRZTDVSA-N 1 3 252.446 3.275 10 0 CGAEHO Cc1ccc([C@H](C)N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)s1 ZINC000049160132 525939619 /nfs/dbraw/zinc/93/96/19/525939619.db2.gz UZBWAMIUUVTIMQ-AUZPSNTRSA-N 1 3 266.454 3.436 10 0 CGAEHO Cc1ccc([C@H](C)N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000049160132 525939626 /nfs/dbraw/zinc/93/96/26/525939626.db2.gz UZBWAMIUUVTIMQ-AUZPSNTRSA-N 1 3 266.454 3.436 10 0 CGAEHO Cc1oc(CNC(C)(C)C)cc1C[N@H+]1CCC[C@H]1C ZINC000052376127 526775291 /nfs/dbraw/zinc/77/52/91/526775291.db2.gz YLGYDUXBGVMAQC-GFCCVEGCSA-N 1 3 264.413 3.460 10 0 CGAEHO Cc1oc(CNC(C)(C)C)cc1C[N@@H+]1CCC[C@H]1C ZINC000052376127 526775293 /nfs/dbraw/zinc/77/52/93/526775293.db2.gz YLGYDUXBGVMAQC-GFCCVEGCSA-N 1 3 264.413 3.460 10 0 CGAEHO C[C@@H]1C[C@@H]2[NH2+]CCC[C@H]2[C@H](C)N1Cc1ccccc1 ZINC000096897638 185125493 /nfs/dbraw/zinc/12/54/93/185125493.db2.gz PIVGQFAFEWGSHV-OHFALNGGSA-N 1 3 258.409 3.038 10 0 CGAEHO C[C@@H]1C[C@@H]2NCCC[C@H]2[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000096897638 185125495 /nfs/dbraw/zinc/12/54/95/185125495.db2.gz PIVGQFAFEWGSHV-OHFALNGGSA-N 1 3 258.409 3.038 10 0 CGAEHO C[C@@H]1C[C@@H]2NCCC[C@H]2[C@H](C)[N@H+]1Cc1ccccc1 ZINC000096897638 185125497 /nfs/dbraw/zinc/12/54/97/185125497.db2.gz PIVGQFAFEWGSHV-OHFALNGGSA-N 1 3 258.409 3.038 10 0 CGAEHO CC[C@H](c1ccc(Cl)cc1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839652 351150377 /nfs/dbraw/zinc/15/03/77/351150377.db2.gz JCCRRGRJPQWTKJ-OSAQELSMSA-N 1 3 266.816 3.318 10 0 CGAEHO CCc1c(C)nc2ccccc2c1N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000302073502 201333685 /nfs/dbraw/zinc/33/36/85/201333685.db2.gz WTRZTJOBRROVEV-UGSOOPFHSA-N 1 3 297.446 3.492 10 0 CGAEHO C[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000036921814 541859672 /nfs/dbraw/zinc/85/96/72/541859672.db2.gz BDMIZKKWXQUAFO-VXGBXAGGSA-N 1 3 282.378 3.346 10 0 CGAEHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000309814446 374199466 /nfs/dbraw/zinc/19/94/66/374199466.db2.gz XLILZAXXWNGGPK-VINWQNLFSA-N 1 3 284.447 3.285 10 0 CGAEHO CC[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1OC ZINC000089142357 165200461 /nfs/dbraw/zinc/20/04/61/165200461.db2.gz FWPWBELOKYWXHI-VNQPRFMTSA-N 1 3 276.424 3.253 10 0 CGAEHO c1ccc(CCC[NH2+]CCCN2CCCCC2)cc1 ZINC000020128870 171016684 /nfs/dbraw/zinc/01/66/84/171016684.db2.gz RSRVHOOHXBMIAD-UHFFFAOYSA-N 1 3 260.425 3.085 10 0 CGAEHO C1CC(C2CCC([NH2+][C@@H]3CCCNCC3)CC2)C1 ZINC000665283525 419105903 /nfs/dbraw/zinc/10/59/03/419105903.db2.gz PIMLLAUNRYHYAO-HWOWSKLDSA-N 1 3 250.430 3.077 10 0 CGAEHO CCC[NH2+]Cc1ccoc1CN1CCCC[C@H]1C ZINC000052378647 519959013 /nfs/dbraw/zinc/95/90/13/519959013.db2.gz AQTBDVZBOZTNKO-CYBMUJFWSA-N 1 3 250.386 3.154 10 0 CGAEHO CC(C)NCC[C@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517823 519721990 /nfs/dbraw/zinc/72/19/90/519721990.db2.gz ZQBZZIPSPHFUSK-GOEBONIOSA-N 1 3 252.446 3.418 10 0 CGAEHO CC(C)NCC[C@H](C)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517823 519721991 /nfs/dbraw/zinc/72/19/91/519721991.db2.gz ZQBZZIPSPHFUSK-GOEBONIOSA-N 1 3 252.446 3.418 10 0 CGAEHO CCCNCc1coc(C[N@H+](CCC)C(C)C)c1 ZINC000052450456 519966045 /nfs/dbraw/zinc/96/60/45/519966045.db2.gz AAFQODXDGJRLAV-UHFFFAOYSA-N 1 3 252.402 3.400 10 0 CGAEHO CCCNCc1coc(C[N@@H+](CCC)C(C)C)c1 ZINC000052450456 519966053 /nfs/dbraw/zinc/96/60/53/519966053.db2.gz AAFQODXDGJRLAV-UHFFFAOYSA-N 1 3 252.402 3.400 10 0 CGAEHO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1CN1CCCC1 ZINC000054559484 520218615 /nfs/dbraw/zinc/21/86/15/520218615.db2.gz OERNEYDTUSDCBH-OAGGEKHMSA-N 1 3 252.446 3.133 10 0 CGAEHO C[C@H](CCC[NH2+]C(C)(C)C)N(C)Cc1ccncc1 ZINC000052480989 524138759 /nfs/dbraw/zinc/13/87/59/524138759.db2.gz XAIXYURIIYOOHZ-CQSZACIVSA-N 1 3 263.429 3.070 10 0 CGAEHO CCCc1ccc(C[N@H+](C)C[C@H]2CCN(C)C2)s1 ZINC000013995631 368673220 /nfs/dbraw/zinc/67/32/20/368673220.db2.gz PFSPIBUSVVALLH-ZDUSSCGKSA-N 1 3 266.454 3.084 10 0 CGAEHO CCCc1ccc(C[N@@H+](C)C[C@H]2CCN(C)C2)s1 ZINC000013995631 368673221 /nfs/dbraw/zinc/67/32/21/368673221.db2.gz PFSPIBUSVVALLH-ZDUSSCGKSA-N 1 3 266.454 3.084 10 0 CGAEHO Cc1ccc([C@H](C)NC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000036959964 369042507 /nfs/dbraw/zinc/04/25/07/369042507.db2.gz RHJQSNWXBNCAMW-AWEZNQCLSA-N 1 3 285.391 3.303 10 0 CGAEHO CCN1CC[C@@H](C[NH2+]C2CC(c3cccc(C)c3)C2)C1 ZINC000037644384 249002738 /nfs/dbraw/zinc/00/27/38/249002738.db2.gz PBIJIZOMTKTLJD-ZLPCBKJTSA-N 1 3 272.436 3.172 10 0 CGAEHO N[C@H](CCCC[NH3+])c1c(Cl)ccc(Cl)c1F ZINC000575438502 377911359 /nfs/dbraw/zinc/91/13/59/377911359.db2.gz LKNMHFYFFHXVDK-SECBINFHSA-N 1 3 265.159 3.261 10 0 CGAEHO C[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000189915772 130038068 /nfs/dbraw/zinc/03/80/68/130038068.db2.gz AFJHEPOEUBLEAM-NVXWUHKLSA-N 1 3 298.434 3.007 10 0 CGAEHO C[C@@H](NCC[C@H]1CCC[N@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000189915772 130038070 /nfs/dbraw/zinc/03/80/70/130038070.db2.gz AFJHEPOEUBLEAM-NVXWUHKLSA-N 1 3 298.434 3.007 10 0 CGAEHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(-n2ccnc2)c1 ZINC000189915772 130038072 /nfs/dbraw/zinc/03/80/72/130038072.db2.gz AFJHEPOEUBLEAM-NVXWUHKLSA-N 1 3 298.434 3.007 10 0 CGAEHO Cc1ccc(OCCC[N@H+]2CCCC[C@H]2[C@@H](C)N)cc1C ZINC000063194762 165031623 /nfs/dbraw/zinc/03/16/23/165031623.db2.gz UFANDRWFXHDCON-AEFFLSMTSA-N 1 3 290.451 3.274 10 0 CGAEHO Cc1ccc(OCCC[N@@H+]2CCCC[C@H]2[C@@H](C)N)cc1C ZINC000063194762 165031626 /nfs/dbraw/zinc/03/16/26/165031626.db2.gz UFANDRWFXHDCON-AEFFLSMTSA-N 1 3 290.451 3.274 10 0 CGAEHO C[NH+](C)Cc1ccccc1CNCc1ccccc1 ZINC000020128653 171015126 /nfs/dbraw/zinc/01/51/26/171015126.db2.gz ITCWJGNWUMTBRJ-UHFFFAOYSA-N 1 3 254.377 3.038 10 0 CGAEHO CC1CCN(CC[C@@H]([NH3+])c2ccc(Cl)cc2)CC1 ZINC000020273991 171130527 /nfs/dbraw/zinc/13/05/27/171130527.db2.gz YYKKVGALUTUKHW-OAHLLOKOSA-N 1 3 266.816 3.462 10 0 CGAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]C2CCCCCC2)C1 ZINC000037220272 173037708 /nfs/dbraw/zinc/03/77/08/173037708.db2.gz SDLCVGUMNQGPLL-CABCVRRESA-N 1 3 252.446 3.419 10 0 CGAEHO COc1ccc([C@@H]([NH2+]CCCN2CCCC2)C2CC2)cc1 ZINC000037229518 173050061 /nfs/dbraw/zinc/05/00/61/173050061.db2.gz XNLFQLHPXCXVHT-SFHVURJKSA-N 1 3 288.435 3.222 10 0 CGAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]CCC2CCCC2)C1 ZINC000037739637 173660014 /nfs/dbraw/zinc/66/00/14/173660014.db2.gz NYJVVZCSHFZSTM-ZBFHGGJFSA-N 1 3 252.446 3.277 10 0 CGAEHO CC[N@H+](Cc1ccc(F)cc1CN)C1CCCC1 ZINC000071250347 176094904 /nfs/dbraw/zinc/09/49/04/176094904.db2.gz IZFXJFRRMKRFSX-UHFFFAOYSA-N 1 3 250.361 3.049 10 0 CGAEHO CC[N@@H+](Cc1ccc(F)cc1CN)C1CCCC1 ZINC000071250347 176094906 /nfs/dbraw/zinc/09/49/06/176094906.db2.gz IZFXJFRRMKRFSX-UHFFFAOYSA-N 1 3 250.361 3.049 10 0 CGAEHO C1CC(C2CCC([NH2+][C@H]3CCCNCC3)CC2)C1 ZINC000665283526 419105296 /nfs/dbraw/zinc/10/52/96/419105296.db2.gz PIMLLAUNRYHYAO-PCKAHOCUSA-N 1 3 250.430 3.077 10 0 CGAEHO C[C@@H]([NH2+]CC(C1CCC1)C1CCC1)[C@H]1CCCNC1 ZINC000530211011 288300523 /nfs/dbraw/zinc/30/05/23/288300523.db2.gz LFIFJIPRMOVBOF-CJNGLKHVSA-N 1 3 264.457 3.181 10 0 CGAEHO CCNCc1cc(C[N@@H+]2CCC[C@@H]2CC)c(C)o1 ZINC000052375363 519987881 /nfs/dbraw/zinc/98/78/81/519987881.db2.gz KAHKBQNCVZXFDB-AWEZNQCLSA-N 1 3 250.386 3.072 10 0 CGAEHO CCNCc1cc(C[N@H+]2CCC[C@@H]2CC)c(C)o1 ZINC000052375363 519987893 /nfs/dbraw/zinc/98/78/93/519987893.db2.gz KAHKBQNCVZXFDB-AWEZNQCLSA-N 1 3 250.386 3.072 10 0 CGAEHO CC(C)NCc1occc1C[N@H+](C)[C@@H](C)C(C)C ZINC000052478472 519730246 /nfs/dbraw/zinc/73/02/46/519730246.db2.gz RBMKINUAEMVUHI-ZDUSSCGKSA-N 1 3 252.402 3.254 10 0 CGAEHO CC(C)NCc1occc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000052478472 519730247 /nfs/dbraw/zinc/73/02/47/519730247.db2.gz RBMKINUAEMVUHI-ZDUSSCGKSA-N 1 3 252.402 3.254 10 0 CGAEHO CNCc1occc1C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052513666 522164002 /nfs/dbraw/zinc/16/40/02/522164002.db2.gz DYSLCRFFXWHOBR-TZMCWYRMSA-N 1 3 250.386 3.010 10 0 CGAEHO CNCc1occc1C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052513666 522164006 /nfs/dbraw/zinc/16/40/06/522164006.db2.gz DYSLCRFFXWHOBR-TZMCWYRMSA-N 1 3 250.386 3.010 10 0 CGAEHO CC[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccc(Cl)cc21 ZINC000082509374 178076127 /nfs/dbraw/zinc/07/61/27/178076127.db2.gz IZQICDRUKGSOKT-AWEZNQCLSA-N 1 3 294.826 3.238 10 0 CGAEHO C1CC(N2CCCC3(CCC[N@@H+](C4CCC4)C3)C2)C1 ZINC000336008467 375613596 /nfs/dbraw/zinc/61/35/96/375613596.db2.gz LPHOKCBTXMJTPC-UHFFFAOYSA-N 1 3 262.441 3.269 10 0 CGAEHO C1CC(N2CCCC3(CCC[N@H+](C4CCC4)C3)C2)C1 ZINC000336008467 375613598 /nfs/dbraw/zinc/61/35/98/375613598.db2.gz LPHOKCBTXMJTPC-UHFFFAOYSA-N 1 3 262.441 3.269 10 0 CGAEHO CC[C@H]1CN(c2cc(C)nc3ccccc32)CC[C@H]1[NH3+] ZINC000251678348 542347152 /nfs/dbraw/zinc/34/71/52/542347152.db2.gz HUUCXWYFJBZSIS-DZGCQCFKSA-N 1 3 269.392 3.107 10 0 CGAEHO CCC[N@H+](C[C@H]1CCCCC1(F)F)C1CCNCC1 ZINC000381680904 392912022 /nfs/dbraw/zinc/91/20/22/392912022.db2.gz MFACBVCOTNEJOG-CYBMUJFWSA-N 1 3 274.399 3.276 10 0 CGAEHO CCC[N@@H+](C[C@H]1CCCCC1(F)F)C1CCNCC1 ZINC000381680904 392912028 /nfs/dbraw/zinc/91/20/28/392912028.db2.gz MFACBVCOTNEJOG-CYBMUJFWSA-N 1 3 274.399 3.276 10 0 CGAEHO CCCN(C[C@H]1CCCCC1(F)F)C1CC[NH2+]CC1 ZINC000381680904 392912033 /nfs/dbraw/zinc/91/20/33/392912033.db2.gz MFACBVCOTNEJOG-CYBMUJFWSA-N 1 3 274.399 3.276 10 0 CGAEHO Cc1ccc(OCCC[N@H+]2CCCC[C@@H]2[C@@H](C)N)cc1C ZINC000063194761 165029462 /nfs/dbraw/zinc/02/94/62/165029462.db2.gz UFANDRWFXHDCON-SJLPKXTDSA-N 1 3 290.451 3.274 10 0 CGAEHO Cc1ccc(OCCC[N@@H+]2CCCC[C@@H]2[C@@H](C)N)cc1C ZINC000063194761 165029465 /nfs/dbraw/zinc/02/94/65/165029465.db2.gz UFANDRWFXHDCON-SJLPKXTDSA-N 1 3 290.451 3.274 10 0 CGAEHO Cc1ccc(C)c(OCCCN2CCCC[C@@H]2CC[NH3+])c1 ZINC000070149514 165058664 /nfs/dbraw/zinc/05/86/64/165058664.db2.gz DVSBTADGPJYVGS-QGZVFWFLSA-N 1 3 290.451 3.276 10 0 CGAEHO CC1(C)CC(C[NH2+]C2CCNCC2)CC(C)(C)C1 ZINC000665245907 419091217 /nfs/dbraw/zinc/09/12/17/419091217.db2.gz UPZAEKJDWZRDMW-UHFFFAOYSA-N 1 3 252.446 3.181 10 0 CGAEHO C[C@@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CC(C)(C)C1 ZINC000344330286 278025049 /nfs/dbraw/zinc/02/50/49/278025049.db2.gz OAXCOMQKVQGNFK-HIFRSBDPSA-N 1 3 250.430 3.053 10 0 CGAEHO CCO[C@@H](C[NH3+])CCN(C)[C@@H](C)c1ccccc1Cl ZINC000062741290 520306539 /nfs/dbraw/zinc/30/65/39/520306539.db2.gz OTHFERHYNIMCEH-QWHCGFSZSA-N 1 3 284.831 3.087 10 0 CGAEHO CCCNCc1occc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C ZINC000052510007 519973505 /nfs/dbraw/zinc/97/35/05/519973505.db2.gz CMIHZVLUTVIJSX-KGLIPLIRSA-N 1 3 264.413 3.400 10 0 CGAEHO CCCNCc1occc1C[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC000052510007 519973517 /nfs/dbraw/zinc/97/35/17/519973517.db2.gz CMIHZVLUTVIJSX-KGLIPLIRSA-N 1 3 264.413 3.400 10 0 CGAEHO CCC[NH2+]Cc1occc1CN1CC[C@@H](C)C[C@@H]1C ZINC000052510007 519973526 /nfs/dbraw/zinc/97/35/26/519973526.db2.gz CMIHZVLUTVIJSX-KGLIPLIRSA-N 1 3 264.413 3.400 10 0 CGAEHO CCNCc1cc(C[N@H+](CC)CC(C)C)c(C)o1 ZINC000052449923 519987637 /nfs/dbraw/zinc/98/76/37/519987637.db2.gz AEVIAOKYXSCGDI-UHFFFAOYSA-N 1 3 252.402 3.175 10 0 CGAEHO CCNCc1cc(C[N@@H+](CC)CC(C)C)c(C)o1 ZINC000052449923 519987641 /nfs/dbraw/zinc/98/76/41/519987641.db2.gz AEVIAOKYXSCGDI-UHFFFAOYSA-N 1 3 252.402 3.175 10 0 CGAEHO CC1CCN(Cc2occc2C[NH2+]C(C)(C)C)CC1 ZINC000052376941 521027767 /nfs/dbraw/zinc/02/77/67/521027767.db2.gz XVKSLBKWTNIVHA-UHFFFAOYSA-N 1 3 264.413 3.400 10 0 CGAEHO Cc1cc(CN2CC[C@@H](C)C2)oc1C[NH2+]CC(C)C ZINC000052484780 524703835 /nfs/dbraw/zinc/70/38/35/524703835.db2.gz QYDIVPGBYLPHQA-CYBMUJFWSA-N 1 3 264.413 3.175 10 0 CGAEHO CCCc1cc(N2CC[C@@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000301799388 201203235 /nfs/dbraw/zinc/20/32/35/201203235.db2.gz RMPLCLBRAKJWPV-OAHLLOKOSA-N 1 3 283.419 3.328 10 0 CGAEHO Cc1cc(N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc[nH+]1 ZINC000302221960 373832337 /nfs/dbraw/zinc/83/23/37/373832337.db2.gz OEPFFIQGXZJSRK-RDTXWAMCSA-N 1 3 296.418 3.108 10 0 CGAEHO C[C@@H]([NH2+]CC(C)(C)c1cccs1)[C@@H]1CCCNC1 ZINC000562958997 377378842 /nfs/dbraw/zinc/37/88/42/377378842.db2.gz JOBIGGNRDARLNU-CHWSQXEVSA-N 1 3 266.454 3.003 10 0 CGAEHO C[C@@H](NCC(C)(C)c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000562958997 377378849 /nfs/dbraw/zinc/37/88/49/377378849.db2.gz JOBIGGNRDARLNU-CHWSQXEVSA-N 1 3 266.454 3.003 10 0 CGAEHO CC(C)[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000400485570 379951025 /nfs/dbraw/zinc/95/10/25/379951025.db2.gz XJAZPHQVWRSSTR-INWMFGNUSA-N 1 3 264.388 3.110 10 0 CGAEHO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251046050 393116439 /nfs/dbraw/zinc/11/64/39/393116439.db2.gz DTVWCPCIQTWDFJ-KURKYZTESA-N 1 3 272.436 3.224 10 0 CGAEHO CC[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251046050 393116444 /nfs/dbraw/zinc/11/64/44/393116444.db2.gz DTVWCPCIQTWDFJ-KURKYZTESA-N 1 3 272.436 3.224 10 0 CGAEHO CC[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251046050 393116448 /nfs/dbraw/zinc/11/64/48/393116448.db2.gz DTVWCPCIQTWDFJ-KURKYZTESA-N 1 3 272.436 3.224 10 0 CGAEHO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)c(C)c1 ZINC000678738531 543552664 /nfs/dbraw/zinc/55/26/64/543552664.db2.gz IKVXOTPNSXQADN-HOTGVXAUSA-N 1 3 260.425 3.438 10 0 CGAEHO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)c(C)c1 ZINC000678738532 543552706 /nfs/dbraw/zinc/55/27/06/543552706.db2.gz IKVXOTPNSXQADN-HZPDHXFCSA-N 1 3 260.425 3.438 10 0 CGAEHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@H]1CC2CCC1CC2 ZINC000517239797 287049957 /nfs/dbraw/zinc/04/99/57/287049957.db2.gz UFIXAZINUBCTES-BHKXSJRLSA-N 1 3 264.457 3.179 10 0 CGAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC000037259245 173069170 /nfs/dbraw/zinc/06/91/70/173069170.db2.gz JJBDGHYUDFFKFV-GDBMZVCRSA-N 1 3 252.446 3.277 10 0 CGAEHO CC[C@@H]1CN(c2cc(C)nc3ccccc32)CC[C@@H]1[NH3+] ZINC000122976181 416505972 /nfs/dbraw/zinc/50/59/72/416505972.db2.gz HUUCXWYFJBZSIS-HIFRSBDPSA-N 1 3 269.392 3.107 10 0 CGAEHO NC[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1c1ccccc1 ZINC000662273771 419380936 /nfs/dbraw/zinc/38/09/36/419380936.db2.gz ZZQVLVYKADMGKD-MSOLQXFVSA-N 1 3 272.436 3.241 10 0 CGAEHO NC[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1c1ccccc1 ZINC000662273771 419380944 /nfs/dbraw/zinc/38/09/44/419380944.db2.gz ZZQVLVYKADMGKD-MSOLQXFVSA-N 1 3 272.436 3.241 10 0 CGAEHO [NH3+]C[C@@H]1CN(CCCC2CCC2)C[C@H]1c1ccccc1 ZINC000662273771 419380949 /nfs/dbraw/zinc/38/09/49/419380949.db2.gz ZZQVLVYKADMGKD-MSOLQXFVSA-N 1 3 272.436 3.241 10 0 CGAEHO C[C@@H]([NH2+]CC(C1CCC1)C1CCC1)[C@@H]1CCCNC1 ZINC000530211012 288300486 /nfs/dbraw/zinc/30/04/86/288300486.db2.gz LFIFJIPRMOVBOF-CZUORRHYSA-N 1 3 264.457 3.181 10 0 CGAEHO C[C@H](NCCc1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000400528108 533870741 /nfs/dbraw/zinc/87/07/41/533870741.db2.gz QTUOEYVDTPJXME-JQWIXIFHSA-N 1 3 287.234 3.124 10 0 CGAEHO CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](CN2CCCCC2)C1 ZINC000053862502 518943800 /nfs/dbraw/zinc/94/38/00/518943800.db2.gz AWXCDNZYXXBTTF-RRFJBIMHSA-N 1 3 252.446 3.262 10 0 CGAEHO CCC[NH2+]Cc1cc(CN(C)[C@@H]2CCSC2)c(C)o1 ZINC000052453623 519945594 /nfs/dbraw/zinc/94/55/94/519945594.db2.gz MGRIQCXJUYYEKR-CQSZACIVSA-N 1 3 282.453 3.025 10 0 CGAEHO CCNCc1ccoc1C[N@@H+]1CCC[C@@H](CC)C1 ZINC000052479677 520009929 /nfs/dbraw/zinc/00/99/29/520009929.db2.gz XYDPVUJFNUKKHI-CYBMUJFWSA-N 1 3 250.386 3.011 10 0 CGAEHO CCNCc1ccoc1C[N@H+]1CCC[C@@H](CC)C1 ZINC000052479677 520009934 /nfs/dbraw/zinc/00/99/34/520009934.db2.gz XYDPVUJFNUKKHI-CYBMUJFWSA-N 1 3 250.386 3.011 10 0 CGAEHO CC[C@@H](C)CN(C)Cc1occc1C[NH2+]C(C)C ZINC000052453958 521972010 /nfs/dbraw/zinc/97/20/10/521972010.db2.gz KMZVODRCDJDSCG-CYBMUJFWSA-N 1 3 252.402 3.256 10 0 CGAEHO Cc1cc(CN2CCC[C@@H]2C)oc1C[NH2+]C(C)(C)C ZINC000052376221 524683913 /nfs/dbraw/zinc/68/39/13/524683913.db2.gz ISAOAYISSNUCQE-ZDUSSCGKSA-N 1 3 264.413 3.460 10 0 CGAEHO N[C@H]1CC[N@@H+]2CC(c3ccccc3)(c3ccccc3)C[C@H]2C1 ZINC000212815040 346287209 /nfs/dbraw/zinc/28/72/09/346287209.db2.gz JNGCGONUARBQCV-RBUKOAKNSA-N 1 3 292.426 3.168 10 0 CGAEHO N[C@H]1CC[N@H+]2CC(c3ccccc3)(c3ccccc3)C[C@H]2C1 ZINC000212815040 346287217 /nfs/dbraw/zinc/28/72/17/346287217.db2.gz JNGCGONUARBQCV-RBUKOAKNSA-N 1 3 292.426 3.168 10 0 CGAEHO CC(C)[C@@H]([NH3+])CCN(C)c1ccnc2ccccc21 ZINC000133611516 371266496 /nfs/dbraw/zinc/26/64/96/371266496.db2.gz WFGVSTGXHVNWPT-AWEZNQCLSA-N 1 3 257.381 3.044 10 0 CGAEHO Cc1cccc2c1OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000193349483 375864993 /nfs/dbraw/zinc/86/49/93/375864993.db2.gz SPSYYVNCDWUFKX-UCMJJCQDSA-N 1 3 286.419 3.033 10 0 CGAEHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C4CC4)[C@H]3C2)cc1 ZINC000248388897 377304160 /nfs/dbraw/zinc/30/41/60/377304160.db2.gz AKCJIEKWGFMIIR-SZMVWBNQSA-N 1 3 270.420 3.039 10 0 CGAEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccn(C)c1 ZINC000269017807 378173892 /nfs/dbraw/zinc/17/38/92/378173892.db2.gz YWZQBNUIDBCTHS-VQIMIIECSA-N 1 3 297.446 3.025 10 0 CGAEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccn(C)c1 ZINC000269017807 378173895 /nfs/dbraw/zinc/17/38/95/378173895.db2.gz YWZQBNUIDBCTHS-VQIMIIECSA-N 1 3 297.446 3.025 10 0 CGAEHO CC(C)c1ccc([C@H](C)N[C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400719191 392947325 /nfs/dbraw/zinc/94/73/25/392947325.db2.gz OAJBJGPJHJGYBB-VBQJREDUSA-N 1 3 260.425 3.459 10 0 CGAEHO Cc1cc(NC[C@H]2CCCC[NH2+]2)c2ccccc2n1 ZINC000044493484 397618746 /nfs/dbraw/zinc/61/87/46/397618746.db2.gz JZJCUDXJLXXQDJ-CYBMUJFWSA-N 1 3 255.365 3.097 10 0 CGAEHO CC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1OC ZINC000089142361 165198564 /nfs/dbraw/zinc/19/85/64/165198564.db2.gz FWPWBELOKYWXHI-KBMXLJTQSA-N 1 3 276.424 3.253 10 0 CGAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC000037259243 173068935 /nfs/dbraw/zinc/06/89/35/173068935.db2.gz JJBDGHYUDFFKFV-ZBFHGGJFSA-N 1 3 252.446 3.277 10 0 CGAEHO Cc1cc(N[C@H]2CCCC[C@@H]2[NH3+])c2ccccc2n1 ZINC000038050807 274719883 /nfs/dbraw/zinc/71/98/83/274719883.db2.gz YOMHAMWQUBCLLQ-ZFWWWQNUSA-N 1 3 255.365 3.225 10 0 CGAEHO C[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000386071666 336165846 /nfs/dbraw/zinc/16/58/46/336165846.db2.gz ZVDBIJDMLKOGMU-UMSGYPCISA-N 1 3 278.362 3.228 10 0 CGAEHO CC(C)[NH2+]Cc1coc(CN2CCCC[C@@H]2C)c1 ZINC000052378916 519728722 /nfs/dbraw/zinc/72/87/22/519728722.db2.gz FRQSZTBWLGRJFD-ZDUSSCGKSA-N 1 3 250.386 3.152 10 0 CGAEHO CC(C)[NH2+]CCC[C@H](C)N1CCc2sccc2C1 ZINC000052416567 519721470 /nfs/dbraw/zinc/72/14/70/519721470.db2.gz VVKHUFANDXVTMV-ZDUSSCGKSA-N 1 3 266.454 3.273 10 0 CGAEHO CC(C)C[NH2+]Cc1ccoc1CN(C)C1CCCC1 ZINC000052444731 519748022 /nfs/dbraw/zinc/74/80/22/519748022.db2.gz BNPVQCWHBNSMQB-UHFFFAOYSA-N 1 3 264.413 3.400 10 0 CGAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCCC1 ZINC000054626597 519907541 /nfs/dbraw/zinc/90/75/41/519907541.db2.gz HJSDGFYEMMDDMA-VHRNVKJDSA-N 1 3 250.430 3.314 10 0 CGAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCCC1 ZINC000054626597 519907551 /nfs/dbraw/zinc/90/75/51/519907551.db2.gz HJSDGFYEMMDDMA-VHRNVKJDSA-N 1 3 250.430 3.314 10 0 CGAEHO CCC[NH2+]Cc1cc(CN(CC)C(C)C)oc1C ZINC000052446699 519945208 /nfs/dbraw/zinc/94/52/08/519945208.db2.gz RFPHZQXZIJXIHW-UHFFFAOYSA-N 1 3 252.402 3.318 10 0 CGAEHO CNCc1occc1C[N@@H+](C)C1CCC(C)CC1 ZINC000052345383 522161600 /nfs/dbraw/zinc/16/16/00/522161600.db2.gz FEKNCIUYPATMFI-UHFFFAOYSA-N 1 3 250.386 3.010 10 0 CGAEHO CNCc1occc1C[N@H+](C)C1CCC(C)CC1 ZINC000052345383 522161595 /nfs/dbraw/zinc/16/15/95/522161595.db2.gz FEKNCIUYPATMFI-UHFFFAOYSA-N 1 3 250.386 3.010 10 0 CGAEHO CCCN1CC[C@@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000712042042 567836989 /nfs/dbraw/zinc/83/69/89/567836989.db2.gz QHBFNWJXMXCDRW-NPCAHTBFSA-N 1 3 252.446 3.405 10 0 CGAEHO CC1CCC(C[NH2+]C[C@H]2CCCCN(C)C2)CC1 ZINC000623657560 349859711 /nfs/dbraw/zinc/85/97/11/349859711.db2.gz ULAGQLNQXVCUSV-UYSNPLJNSA-N 1 3 252.446 3.134 10 0 CGAEHO CC1CCC(CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629652738 350731437 /nfs/dbraw/zinc/73/14/37/350731437.db2.gz BLCYYEZXFVICJK-NWINJMCUSA-N 1 3 292.389 3.272 10 0 CGAEHO CCCc1ccc(C[N@H+](C)C[C@@H]2CCN(C)C2)s1 ZINC000013995628 368672239 /nfs/dbraw/zinc/67/22/39/368672239.db2.gz PFSPIBUSVVALLH-CYBMUJFWSA-N 1 3 266.454 3.084 10 0 CGAEHO CCCc1ccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)s1 ZINC000013995628 368672246 /nfs/dbraw/zinc/67/22/46/368672246.db2.gz PFSPIBUSVVALLH-CYBMUJFWSA-N 1 3 266.454 3.084 10 0 CGAEHO Cc1cc(N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc[nH+]1 ZINC000302221958 373832377 /nfs/dbraw/zinc/83/23/77/373832377.db2.gz OEPFFIQGXZJSRK-KDOFPFPSSA-N 1 3 296.418 3.108 10 0 CGAEHO c1cc(CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC000374603693 379467329 /nfs/dbraw/zinc/46/73/29/379467329.db2.gz LEMLFVYHFBSPEG-FHWLQOOXSA-N 1 3 295.430 3.015 10 0 CGAEHO c1cc(CN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC000374603693 379467340 /nfs/dbraw/zinc/46/73/40/379467340.db2.gz LEMLFVYHFBSPEG-FHWLQOOXSA-N 1 3 295.430 3.015 10 0 CGAEHO c1cc(C[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC000374603693 379467347 /nfs/dbraw/zinc/46/73/47/379467347.db2.gz LEMLFVYHFBSPEG-FHWLQOOXSA-N 1 3 295.430 3.015 10 0 CGAEHO CN1CC=C(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000392232899 379911514 /nfs/dbraw/zinc/91/15/14/379911514.db2.gz SYUKHLUSVMEKBJ-CVEARBPZSA-N 1 3 264.457 3.443 10 0 CGAEHO C[C@@H](N[C@@H](C)c1cccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400339347 379949159 /nfs/dbraw/zinc/94/91/59/379949159.db2.gz FDFSPPKPQOGXSG-YCPHGPKFSA-N 1 3 268.404 3.488 10 0 CGAEHO CN(C)CCC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000289125389 197241273 /nfs/dbraw/zinc/24/12/73/197241273.db2.gz XGSHGKBHZXIGJJ-RBUKOAKNSA-N 1 3 298.430 3.003 10 0 CGAEHO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC[C@H]1CCC[N@@H+]1C ZINC000248046520 393083666 /nfs/dbraw/zinc/08/36/66/393083666.db2.gz NDJOTPNDDJRAAC-QGPMSJSTSA-N 1 3 290.426 3.488 10 0 CGAEHO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC[C@H]1CCC[N@H+]1C ZINC000248046520 393083672 /nfs/dbraw/zinc/08/36/72/393083672.db2.gz NDJOTPNDDJRAAC-QGPMSJSTSA-N 1 3 290.426 3.488 10 0 CGAEHO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1C ZINC000678744201 543552697 /nfs/dbraw/zinc/55/26/97/543552697.db2.gz ZXLJLCHBGCPTSJ-RDJZCZTQSA-N 1 3 260.425 3.438 10 0 CGAEHO CC(C)c1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000125275181 287242075 /nfs/dbraw/zinc/24/20/75/287242075.db2.gz VOVZGZZGOHSCTE-KSZLIROESA-N 1 3 272.436 3.369 10 0 CGAEHO [NH3+]CCCN(Cc1ccc(F)cc1)C1CCCCC1 ZINC000037299756 173105020 /nfs/dbraw/zinc/10/50/20/173105020.db2.gz BPDXIVOKPYGUQG-UHFFFAOYSA-N 1 3 264.388 3.309 10 0 CGAEHO NCCC[N@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000037299756 173105023 /nfs/dbraw/zinc/10/50/23/173105023.db2.gz BPDXIVOKPYGUQG-UHFFFAOYSA-N 1 3 264.388 3.309 10 0 CGAEHO NCCC[N@@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000037299756 173105025 /nfs/dbraw/zinc/10/50/25/173105025.db2.gz BPDXIVOKPYGUQG-UHFFFAOYSA-N 1 3 264.388 3.309 10 0 CGAEHO CCC1CCC(C[N@@H+]2CCCNC[C@@H](C)C2)CC1 ZINC000045007887 175288702 /nfs/dbraw/zinc/28/87/02/175288702.db2.gz CTSLKGXTUFPWQJ-QQFBHYJXSA-N 1 3 252.446 3.134 10 0 CGAEHO CCC1CCC(C[N@H+]2CCCNC[C@@H](C)C2)CC1 ZINC000045007887 175288704 /nfs/dbraw/zinc/28/87/04/175288704.db2.gz CTSLKGXTUFPWQJ-QQFBHYJXSA-N 1 3 252.446 3.134 10 0 CGAEHO CCC1CCC([N@H+](C)Cc2occc2CN)CC1 ZINC000052345574 519853406 /nfs/dbraw/zinc/85/34/06/519853406.db2.gz ABKWPERXOKPERT-UHFFFAOYSA-N 1 3 250.386 3.139 10 0 CGAEHO CCC1CCC([N@@H+](C)Cc2occc2CN)CC1 ZINC000052345574 519853408 /nfs/dbraw/zinc/85/34/08/519853408.db2.gz ABKWPERXOKPERT-UHFFFAOYSA-N 1 3 250.386 3.139 10 0 CGAEHO C[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)[C@@H]1CCN ZINC000404374383 572331076 /nfs/dbraw/zinc/33/10/76/572331076.db2.gz RSAJFKOHTXZSIU-HZSPNIEDSA-N 1 3 274.399 3.261 10 0 CGAEHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC2(F)F)[C@@H]1CCN ZINC000404374383 572331079 /nfs/dbraw/zinc/33/10/79/572331079.db2.gz RSAJFKOHTXZSIU-HZSPNIEDSA-N 1 3 274.399 3.261 10 0 CGAEHO CC1CCC(CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000629652739 350731571 /nfs/dbraw/zinc/73/15/71/350731571.db2.gz BLCYYEZXFVICJK-PQAZSJQKSA-N 1 3 292.389 3.272 10 0 CGAEHO C[C@@H]([NH2+]CC(C)(C)c1cccs1)[C@H]1CCCNC1 ZINC000562958998 377379395 /nfs/dbraw/zinc/37/93/95/377379395.db2.gz JOBIGGNRDARLNU-OLZOCXBDSA-N 1 3 266.454 3.003 10 0 CGAEHO C[C@@H](NCC(C)(C)c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000562958998 377379408 /nfs/dbraw/zinc/37/94/08/377379408.db2.gz JOBIGGNRDARLNU-OLZOCXBDSA-N 1 3 266.454 3.003 10 0 CGAEHO Cc1cc(N2CCN3CCCC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000301233237 392585950 /nfs/dbraw/zinc/58/59/50/392585950.db2.gz KKBZTQWEMVHMIY-OAHLLOKOSA-N 1 3 281.403 3.218 10 0 CGAEHO Cc1csc([C@H]2CCC[N@@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163160168 392602968 /nfs/dbraw/zinc/60/29/68/392602968.db2.gz ILLTVRZIVUHDJX-GJZGRUSLSA-N 1 3 293.480 3.115 10 0 CGAEHO Cc1csc([C@H]2CCC[N@H+](CC[C@@H]3CCCN3C)C2)n1 ZINC000163160168 392602971 /nfs/dbraw/zinc/60/29/71/392602971.db2.gz ILLTVRZIVUHDJX-GJZGRUSLSA-N 1 3 293.480 3.115 10 0 CGAEHO CCn1cc(CNC[C@@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000020968487 171282817 /nfs/dbraw/zinc/28/28/17/171282817.db2.gz DIBPVOVYBMAHRM-INIZCTEOSA-N 1 3 285.435 3.235 10 0 CGAEHO CCn1cc(CNC[C@@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000020968487 171282819 /nfs/dbraw/zinc/28/28/19/171282819.db2.gz DIBPVOVYBMAHRM-INIZCTEOSA-N 1 3 285.435 3.235 10 0 CGAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC000037210303 173033070 /nfs/dbraw/zinc/03/30/70/173033070.db2.gz DZHYLZXTPJWGRL-NVXWUHKLSA-N 1 3 260.425 3.205 10 0 CGAEHO C[C@H]([NH2+]C[C@H]1C[C@H](C)C[C@H](C)C1)[C@H]1CCCNC1 ZINC000665239269 419088470 /nfs/dbraw/zinc/08/84/70/419088470.db2.gz PSBNSZZDHISCCT-NPJQDHAYSA-N 1 3 252.446 3.036 10 0 CGAEHO CC(C)C[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400755069 279194239 /nfs/dbraw/zinc/19/42/39/279194239.db2.gz WSVSWNVJNDSSPU-XIRDDKMYSA-N 1 3 260.425 3.361 10 0 CGAEHO CCNCc1ccccc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000052373484 520006141 /nfs/dbraw/zinc/00/61/41/520006141.db2.gz VXCIHLKVJYMQMU-GJZGRUSLSA-N 1 3 260.425 3.417 10 0 CGAEHO CCNCc1ccccc1C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000052373484 520006146 /nfs/dbraw/zinc/00/61/46/520006146.db2.gz VXCIHLKVJYMQMU-GJZGRUSLSA-N 1 3 260.425 3.417 10 0 CGAEHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC2CC2)C1 ZINC000052381628 524095581 /nfs/dbraw/zinc/09/55/81/524095581.db2.gz MBFQDRGQEHAENI-AWEZNQCLSA-N 1 3 258.409 3.171 10 0 CGAEHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC2CC2)C1 ZINC000052381628 524095592 /nfs/dbraw/zinc/09/55/92/524095592.db2.gz MBFQDRGQEHAENI-AWEZNQCLSA-N 1 3 258.409 3.171 10 0 CGAEHO [NH3+][C@H]1CCCC[C@]12CCCN(Cc1ccccc1)C2 ZINC000096897661 185125408 /nfs/dbraw/zinc/12/54/08/185125408.db2.gz UERIYNRPQKDILW-DLBZAZTESA-N 1 3 258.409 3.170 10 0 CGAEHO Cc1cccc2c(NC3CC[NH+](C)CC3)ccnc12 ZINC000301730842 201164621 /nfs/dbraw/zinc/16/46/21/201164621.db2.gz OZAXRTUTLLLBBU-UHFFFAOYSA-N 1 3 255.365 3.049 10 0 CGAEHO C1=CC[C@@]2(CC1)CCCN(CCC[NH+]1CCCC1)C2 ZINC000153902061 371797912 /nfs/dbraw/zinc/79/79/12/371797912.db2.gz PKWFQFZJVZKLPC-QGZVFWFLSA-N 1 3 262.441 3.295 10 0 CGAEHO Cc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)s1 ZINC000310401591 374214759 /nfs/dbraw/zinc/21/47/59/374214759.db2.gz UPJSRCMVMIDAGS-SCDSUCTJSA-N 1 3 252.427 3.034 10 0 CGAEHO Cc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)s1 ZINC000310401591 374214769 /nfs/dbraw/zinc/21/47/69/374214769.db2.gz UPJSRCMVMIDAGS-SCDSUCTJSA-N 1 3 252.427 3.034 10 0 CGAEHO C[C@H](NCc1cccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000582354459 378306176 /nfs/dbraw/zinc/30/61/76/378306176.db2.gz MFJZSUGTCKEUGV-HOCLYGCPSA-N 1 3 268.404 3.318 10 0 CGAEHO C[C@H]([NH2+]Cc1cccc2ccccc21)[C@H]1CCCNC1 ZINC000582354459 378306182 /nfs/dbraw/zinc/30/61/82/378306182.db2.gz MFJZSUGTCKEUGV-HOCLYGCPSA-N 1 3 268.404 3.318 10 0 CGAEHO CN1CC=C(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000392232903 379911185 /nfs/dbraw/zinc/91/11/85/379911185.db2.gz SYUKHLUSVMEKBJ-HZPDHXFCSA-N 1 3 264.457 3.443 10 0 CGAEHO C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000089142436 165199181 /nfs/dbraw/zinc/19/91/81/165199181.db2.gz XDQHEVOTOXGOFV-XPKDYRNWSA-N 1 3 280.843 3.378 10 0 CGAEHO CC[NH2+]Cc1cc(CN2CCC(CC)CC2)oc1C ZINC000052346960 519987345 /nfs/dbraw/zinc/98/73/45/519987345.db2.gz NBBSKBVYJQTLOU-UHFFFAOYSA-N 1 3 264.413 3.320 10 0 CGAEHO CC(C)NCc1occc1C[N@@H+]1CCC[C@H](C)C1 ZINC000052381320 519730019 /nfs/dbraw/zinc/73/00/19/519730019.db2.gz CKADYKHNAFNDNK-ZDUSSCGKSA-N 1 3 250.386 3.010 10 0 CGAEHO CC(C)NCc1occc1C[N@H+]1CCC[C@H](C)C1 ZINC000052381320 519730021 /nfs/dbraw/zinc/73/00/21/519730021.db2.gz CKADYKHNAFNDNK-ZDUSSCGKSA-N 1 3 250.386 3.010 10 0 CGAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCC(C)CC1 ZINC000054626918 519910482 /nfs/dbraw/zinc/91/04/82/519910482.db2.gz ZFOAZAOMNFWQRL-SVFSVNPNSA-N 1 3 250.430 3.170 10 0 CGAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCC(C)CC1 ZINC000054626918 519910485 /nfs/dbraw/zinc/91/04/85/519910485.db2.gz ZFOAZAOMNFWQRL-SVFSVNPNSA-N 1 3 250.430 3.170 10 0 CGAEHO CCCN(C)Cc1cc(C[NH2+]CC(C)C)c(C)o1 ZINC000052444458 521500852 /nfs/dbraw/zinc/50/08/52/521500852.db2.gz BKNVMXJSCGPINT-UHFFFAOYSA-N 1 3 252.402 3.175 10 0 CGAEHO CC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNC1CC1 ZINC000052375397 523268920 /nfs/dbraw/zinc/26/89/20/523268920.db2.gz LJWPJLRNGNVCFG-QGZVFWFLSA-N 1 3 258.409 3.313 10 0 CGAEHO CC[C@@H]1CCC[N@H+]1Cc1ccccc1CNC1CC1 ZINC000052375397 523268928 /nfs/dbraw/zinc/26/89/28/523268928.db2.gz LJWPJLRNGNVCFG-QGZVFWFLSA-N 1 3 258.409 3.313 10 0 CGAEHO C[C@@H](CCC[NH3+])N(C)Cc1cc(Br)cs1 ZINC000052517096 524457371 /nfs/dbraw/zinc/45/73/71/524457371.db2.gz RUWYPBOGCLZXLY-VIFPVBQESA-N 1 3 291.258 3.070 10 0 CGAEHO Cc1cc(CN2CCCSCC2)oc1C[NH2+]C(C)C ZINC000052371212 524681383 /nfs/dbraw/zinc/68/13/83/524681383.db2.gz FNTSVOBOIXCMFM-UHFFFAOYSA-N 1 3 282.453 3.025 10 0 CGAEHO C[C@@H]1CN(CCCCC[NH2+]C(C)(C)C)CC(C)(C)O1 ZINC000052543579 524940919 /nfs/dbraw/zinc/94/09/19/524940919.db2.gz OHRAOMPHVSCLHO-CQSZACIVSA-N 1 3 270.461 3.044 10 0 CGAEHO C[C@@H]1c2ccsc2CCN1CCCC[NH2+]C1CC1 ZINC000052505228 525735482 /nfs/dbraw/zinc/73/54/82/525735482.db2.gz WNXRKKGPNSKDLR-GFCCVEGCSA-N 1 3 264.438 3.199 10 0 CGAEHO CC(C)Cc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000131759471 528648949 /nfs/dbraw/zinc/64/89/49/528648949.db2.gz CCOINQJASBKZKE-PBHICJAKSA-N 1 3 260.425 3.054 10 0 CGAEHO [NH3+]CC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000095934686 185033638 /nfs/dbraw/zinc/03/36/38/185033638.db2.gz BLJAWOMRSNJSGJ-UHFFFAOYSA-N 1 3 295.430 3.092 10 0 CGAEHO N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C1CCCCC1 ZINC000409432297 346606344 /nfs/dbraw/zinc/60/63/44/346606344.db2.gz NHGYCJUMFOKBQE-SJORKVTESA-N 1 3 258.409 3.026 10 0 CGAEHO N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C1CCCCC1 ZINC000409432297 346606345 /nfs/dbraw/zinc/60/63/45/346606345.db2.gz NHGYCJUMFOKBQE-SJORKVTESA-N 1 3 258.409 3.026 10 0 CGAEHO Cc1cccc(C2CC([NH2+]CC3=CCN(C)CC3)C2)c1 ZINC000364946359 234071143 /nfs/dbraw/zinc/07/11/43/234071143.db2.gz UDYJNKGWCITXJC-UHFFFAOYSA-N 1 3 270.420 3.093 10 0 CGAEHO CC[NH+](CC)CCNc1ccnc2cc(C)ccc21 ZINC000027105401 368868097 /nfs/dbraw/zinc/86/80/97/368868097.db2.gz NRXZRIZWNFFKHT-UHFFFAOYSA-N 1 3 257.381 3.297 10 0 CGAEHO CCc1cc(N2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000246616022 377063028 /nfs/dbraw/zinc/06/30/28/377063028.db2.gz IDLCVYVQESGTNE-HNNXBMFYSA-N 1 3 281.403 3.082 10 0 CGAEHO CCc1cc(N2CC[N@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000246616022 377063038 /nfs/dbraw/zinc/06/30/38/377063038.db2.gz IDLCVYVQESGTNE-HNNXBMFYSA-N 1 3 281.403 3.082 10 0 CGAEHO CCN1CC[C@@H](C[NH2+][C@H]2CCCOc3cc(C)ccc32)C1 ZINC000247186473 377175399 /nfs/dbraw/zinc/17/53/99/377175399.db2.gz VNCWDFLDILZKSW-RDJZCZTQSA-N 1 3 288.435 3.140 10 0 CGAEHO [NH3+]CCCCCNc1c2c(nc3ccccc31)CCC2 ZINC000253495983 377695453 /nfs/dbraw/zinc/69/54/53/377695453.db2.gz YHLWVOPUOSODMB-UHFFFAOYSA-N 1 3 269.392 3.264 10 0 CGAEHO CC(C)C[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400755062 379952650 /nfs/dbraw/zinc/95/26/50/379952650.db2.gz WSVSWNVJNDSSPU-PVAVHDDUSA-N 1 3 260.425 3.361 10 0 CGAEHO CC[C@H]1CC[C@@H]([NH2+]C2CC(C)(C)NC(C)(C)C2)C1 ZINC000080428127 287065179 /nfs/dbraw/zinc/06/51/79/287065179.db2.gz IBSSFHLQUHDEEA-QWHCGFSZSA-N 1 3 252.446 3.464 10 0 CGAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC000037210302 173032706 /nfs/dbraw/zinc/03/27/06/173032706.db2.gz DZHYLZXTPJWGRL-WBVHZDCISA-N 1 3 260.425 3.205 10 0 CGAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+]CC2CCCC2)C1 ZINC000037257438 173068424 /nfs/dbraw/zinc/06/84/24/173068424.db2.gz GZMLOAUFZAUYAQ-GDBMZVCRSA-N 1 3 252.446 3.277 10 0 CGAEHO C[C@H](C[NH2+][C@@H](C)c1ccc(O)cc1)CN1CCCCC1 ZINC000038041713 174043593 /nfs/dbraw/zinc/04/35/93/174043593.db2.gz KLZCCGQVXRZWKY-CABCVRRESA-N 1 3 276.424 3.165 10 0 CGAEHO C[C@H]([NH2+][C@@H]1CCCC12CCCCC2)[C@H]1CCCNC1 ZINC000665233583 419086322 /nfs/dbraw/zinc/08/63/22/419086322.db2.gz LBPITKMQCDQKOB-HRCADAONSA-N 1 3 264.457 3.467 10 0 CGAEHO C(NC1CC1)C1(C[NH+]2CCCCCC2)CCCC1 ZINC000051210344 518395074 /nfs/dbraw/zinc/39/50/74/518395074.db2.gz PEPWHQGQWAGBGX-UHFFFAOYSA-N 1 3 250.430 3.175 10 0 CGAEHO CC(C)[C@@H](N[C@H](C)CC[NH+](C)C)c1cccs1 ZINC000049554147 519799569 /nfs/dbraw/zinc/79/95/69/519799569.db2.gz OFIROSGVRQXBGK-TZMCWYRMSA-N 1 3 254.443 3.375 10 0 CGAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC000054628361 519910925 /nfs/dbraw/zinc/91/09/25/519910925.db2.gz HNDAKOSUBWNUNI-MQVJKMGUSA-N 1 3 250.430 3.172 10 0 CGAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC000054628361 519910928 /nfs/dbraw/zinc/91/09/28/519910928.db2.gz HNDAKOSUBWNUNI-MQVJKMGUSA-N 1 3 250.430 3.172 10 0 CGAEHO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCC1CCCC1 ZINC000054628361 519910931 /nfs/dbraw/zinc/91/09/31/519910931.db2.gz HNDAKOSUBWNUNI-MQVJKMGUSA-N 1 3 250.430 3.172 10 0 CGAEHO CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)(C)CC(C)(C)C ZINC000054629611 521957515 /nfs/dbraw/zinc/95/75/15/521957515.db2.gz BRUIKLPBSVTFBA-AGUYFDCRSA-N 1 3 252.446 3.416 10 0 CGAEHO CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)(C)CC(C)(C)C ZINC000054629611 521957519 /nfs/dbraw/zinc/95/75/19/521957519.db2.gz BRUIKLPBSVTFBA-AGUYFDCRSA-N 1 3 252.446 3.416 10 0 CGAEHO C[C@@H](C1CCCCC1)[N@@H+]1CC[C@@H](C)NC[C@@H](C)C1 ZINC000052342429 524335815 /nfs/dbraw/zinc/33/58/15/524335815.db2.gz JWXJPFDIKBHDNA-KFWWJZLASA-N 1 3 252.446 3.275 10 0 CGAEHO C[C@@H](C1CCCCC1)[N@H+]1CC[C@@H](C)NC[C@@H](C)C1 ZINC000052342429 524335821 /nfs/dbraw/zinc/33/58/21/524335821.db2.gz JWXJPFDIKBHDNA-KFWWJZLASA-N 1 3 252.446 3.275 10 0 CGAEHO CCCC1(CN(C)Cc2scnc2C)CC[NH2+]CC1 ZINC000104444530 186003896 /nfs/dbraw/zinc/00/38/96/186003896.db2.gz AOPYLYNLZPXUOI-UHFFFAOYSA-N 1 3 281.469 3.053 10 0 CGAEHO CCCNc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000193358957 375866990 /nfs/dbraw/zinc/86/69/90/375866990.db2.gz VODKNCXMGRQXDA-AYHJJNSGSA-N 1 3 287.451 3.223 10 0 CGAEHO Cc1csc([C@H]2CCC[N@@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245599531 376864221 /nfs/dbraw/zinc/86/42/21/376864221.db2.gz ILLTVRZIVUHDJX-LSDHHAIUSA-N 1 3 293.480 3.115 10 0 CGAEHO Cc1csc([C@H]2CCC[N@H+](CC[C@H]3CCCN3C)C2)n1 ZINC000245599531 376864230 /nfs/dbraw/zinc/86/42/30/376864230.db2.gz ILLTVRZIVUHDJX-LSDHHAIUSA-N 1 3 293.480 3.115 10 0 CGAEHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCCC2(F)F)C[C@@H]1CN ZINC000397396304 542617403 /nfs/dbraw/zinc/61/74/03/542617403.db2.gz GMTZSNWUZKZVDR-RFGFWPKPSA-N 1 3 274.399 3.117 10 0 CGAEHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCCC2(F)F)C[C@@H]1CN ZINC000397396304 542617406 /nfs/dbraw/zinc/61/74/06/542617406.db2.gz GMTZSNWUZKZVDR-RFGFWPKPSA-N 1 3 274.399 3.117 10 0 CGAEHO C[C@@H]1C[C@H](C)N(C[C@@H]2CCCCC2(F)F)C[C@@H]1C[NH3+] ZINC000397396304 542617411 /nfs/dbraw/zinc/61/74/11/542617411.db2.gz GMTZSNWUZKZVDR-RFGFWPKPSA-N 1 3 274.399 3.117 10 0 CGAEHO COc1cccc(CNCc2ccccc2C[NH+](C)C)c1 ZINC000020128554 171015250 /nfs/dbraw/zinc/01/52/50/171015250.db2.gz RSGRMHOUFLVFSV-UHFFFAOYSA-N 1 3 284.403 3.047 10 0 CGAEHO C[NH+](C)Cc1ccccc1CNCc1cccc(F)c1 ZINC000020128555 171015649 /nfs/dbraw/zinc/01/56/49/171015649.db2.gz BXKSJNUOISSDLU-UHFFFAOYSA-N 1 3 272.367 3.177 10 0 CGAEHO CCC(C)(C)C1CCC(C[NH3+])(N2CCCC2)CC1 ZINC000021062761 171297490 /nfs/dbraw/zinc/29/74/90/171297490.db2.gz VEWXHCRLVAUMDB-UHFFFAOYSA-N 1 3 252.446 3.406 10 0 CGAEHO C[C@H]([NH2+]C1CCC(C2CCC2)CC1)[C@H]1CCCNC1 ZINC000665284058 419105768 /nfs/dbraw/zinc/10/57/68/419105768.db2.gz ZNJYSSPUPPEMLW-PXZKZTPFSA-N 1 3 264.457 3.323 10 0 CGAEHO C[C@@H](C[NH2+][C@@H](C)c1ccc(O)cc1)CN1CCCCC1 ZINC000038041712 278284383 /nfs/dbraw/zinc/28/43/83/278284383.db2.gz KLZCCGQVXRZWKY-GJZGRUSLSA-N 1 3 276.424 3.165 10 0 CGAEHO Cc1cccc2c1ncc(C)c2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248388796 281308513 /nfs/dbraw/zinc/30/85/13/281308513.db2.gz FQNCYZQBTWRVMP-HNNXBMFYSA-N 1 3 281.403 3.136 10 0 CGAEHO Cc1cccc2c1ncc(C)c2N1CC[N@H+]2CCC[C@H]2C1 ZINC000248388796 281308514 /nfs/dbraw/zinc/30/85/14/281308514.db2.gz FQNCYZQBTWRVMP-HNNXBMFYSA-N 1 3 281.403 3.136 10 0 CGAEHO CC(C)NCc1occc1C[N@@H+]1CCCC[C@@H]1C ZINC000052378751 519730226 /nfs/dbraw/zinc/73/02/26/519730226.db2.gz YCUIXHOKWRPPNI-ZDUSSCGKSA-N 1 3 250.386 3.152 10 0 CGAEHO CC(C)NCc1occc1C[N@H+]1CCCC[C@@H]1C ZINC000052378751 519730228 /nfs/dbraw/zinc/73/02/28/519730228.db2.gz YCUIXHOKWRPPNI-ZDUSSCGKSA-N 1 3 250.386 3.152 10 0 CGAEHO CC(C)[NH2+]Cc1occc1CN1CCCC[C@@H]1C ZINC000052378751 519730229 /nfs/dbraw/zinc/73/02/29/519730229.db2.gz YCUIXHOKWRPPNI-ZDUSSCGKSA-N 1 3 250.386 3.152 10 0 CGAEHO CCNCc1cc(C[N@@H+]2CCC[C@H]2CC)c(C)o1 ZINC000052375362 519988141 /nfs/dbraw/zinc/98/81/41/519988141.db2.gz KAHKBQNCVZXFDB-CQSZACIVSA-N 1 3 250.386 3.072 10 0 CGAEHO CCNCc1cc(C[N@H+]2CCC[C@H]2CC)c(C)o1 ZINC000052375362 519988148 /nfs/dbraw/zinc/98/81/48/519988148.db2.gz KAHKBQNCVZXFDB-CQSZACIVSA-N 1 3 250.386 3.072 10 0 CGAEHO CNCc1cc(C[N@H+](C)C2CCCCCC2)oc1C ZINC000052482029 522103162 /nfs/dbraw/zinc/10/31/62/522103162.db2.gz AWTDRWRJAXGYOE-UHFFFAOYSA-N 1 3 264.413 3.462 10 0 CGAEHO CNCc1cc(C[N@@H+](C)C2CCCCCC2)oc1C ZINC000052482029 522103170 /nfs/dbraw/zinc/10/31/70/522103170.db2.gz AWTDRWRJAXGYOE-UHFFFAOYSA-N 1 3 264.413 3.462 10 0 CGAEHO CN(CCCC[NH2+]C(C)(C)C)Cc1ccsc1 ZINC000052457051 522735474 /nfs/dbraw/zinc/73/54/74/522735474.db2.gz NKHAYKSEMYDFLU-UHFFFAOYSA-N 1 3 254.443 3.348 10 0 CGAEHO Cc1ccc([C@@H](C)N2[C@@H]3CCC[C@H]2CC([NH3+])C3)s1 ZINC000054602474 525690626 /nfs/dbraw/zinc/69/06/26/525690626.db2.gz IPHGOYJSCPVQCE-RLAWYHOSSA-N 1 3 264.438 3.462 10 0 CGAEHO Cc1occc1CN(C)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052346584 526825571 /nfs/dbraw/zinc/82/55/71/526825571.db2.gz MFTQEVQISLIVQX-AWEZNQCLSA-N 1 3 266.429 3.434 10 0 CGAEHO C[N@H+]1C[C@H]2[C@@H](CN(Cc3ccccc3)[C@@H]2c2ccccc2)C1 ZINC000409429042 346605268 /nfs/dbraw/zinc/60/52/68/346605268.db2.gz HMADQGVNEBTSJJ-HSALFYBXSA-N 1 3 292.426 3.421 10 0 CGAEHO C[N@@H+]1C[C@H]2[C@@H](CN(Cc3ccccc3)[C@@H]2c2ccccc2)C1 ZINC000409429042 346605269 /nfs/dbraw/zinc/60/52/69/346605269.db2.gz HMADQGVNEBTSJJ-HSALFYBXSA-N 1 3 292.426 3.421 10 0 CGAEHO [NH3+]CCCCNc1c2ccccc2nc2c1CCCCC2 ZINC000584904555 346723688 /nfs/dbraw/zinc/72/36/88/346723688.db2.gz JJLSOWHQOJQSLJ-UHFFFAOYSA-N 1 3 283.419 3.076 10 0 CGAEHO CC(C)c1ccc([C@H](C)N[C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400719189 392947059 /nfs/dbraw/zinc/94/70/59/392947059.db2.gz OAJBJGPJHJGYBB-GRDNDAEWSA-N 1 3 260.425 3.459 10 0 CGAEHO CCN(Cc1ccccc1)Cc1ccc(C[NH3+])cc1 ZINC000020486159 171225307 /nfs/dbraw/zinc/22/53/07/171225307.db2.gz RGPPZQPZNGDWCV-UHFFFAOYSA-N 1 3 254.377 3.167 10 0 CGAEHO CCN1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(F)c2)C1 ZINC000037221928 173041327 /nfs/dbraw/zinc/04/13/27/173041327.db2.gz IMOHJWKIRYKCRZ-UKRRQHHQSA-N 1 3 264.388 3.036 10 0 CGAEHO NCCC[N@H+](CCc1ccccc1)C1CCCCC1 ZINC000037299760 173105647 /nfs/dbraw/zinc/10/56/47/173105647.db2.gz WJPQUBFYVWTMMF-UHFFFAOYSA-N 1 3 260.425 3.213 10 0 CGAEHO NCCC[N@@H+](CCc1ccccc1)C1CCCCC1 ZINC000037299760 173105648 /nfs/dbraw/zinc/10/56/48/173105648.db2.gz WJPQUBFYVWTMMF-UHFFFAOYSA-N 1 3 260.425 3.213 10 0 CGAEHO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(F)cc1CN ZINC000071263501 176096984 /nfs/dbraw/zinc/09/69/84/176096984.db2.gz OVZJIQNGSLXPBI-WBMJQRKESA-N 1 3 264.388 3.295 10 0 CGAEHO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(F)cc1CN ZINC000071263501 176096985 /nfs/dbraw/zinc/09/69/85/176096985.db2.gz OVZJIQNGSLXPBI-WBMJQRKESA-N 1 3 264.388 3.295 10 0 CGAEHO CC1(C)CC[C@@H]2CNCC[C@H]2[N@@H+]1Cc1ccccc1 ZINC000076697660 177060739 /nfs/dbraw/zinc/06/07/39/177060739.db2.gz NKMRDGAVHXSOCS-HZPDHXFCSA-N 1 3 258.409 3.039 10 0 CGAEHO CC1(C)CC[C@@H]2CNCC[C@H]2[N@H+]1Cc1ccccc1 ZINC000076697660 177060740 /nfs/dbraw/zinc/06/07/40/177060740.db2.gz NKMRDGAVHXSOCS-HZPDHXFCSA-N 1 3 258.409 3.039 10 0 CGAEHO CCCNC[C@H](CC)[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482467 519932303 /nfs/dbraw/zinc/93/23/03/519932303.db2.gz LSQISWMAXMPCMO-PMPSAXMXSA-N 1 3 252.446 3.419 10 0 CGAEHO CCCNC[C@H](CC)[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482467 519932311 /nfs/dbraw/zinc/93/23/11/519932311.db2.gz LSQISWMAXMPCMO-PMPSAXMXSA-N 1 3 252.446 3.419 10 0 CGAEHO CCC[NH2+]Cc1cc(CN2CCC[C@H](C)C2)oc1C ZINC000052381245 519945368 /nfs/dbraw/zinc/94/53/68/519945368.db2.gz IZVLJWRQMOSENA-ZDUSSCGKSA-N 1 3 264.413 3.320 10 0 CGAEHO CC(C)(C)NCc1occc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543906 518771318 /nfs/dbraw/zinc/77/13/18/518771318.db2.gz CEYBANGHLIGBHG-GXTWGEPZSA-N 1 3 262.397 3.152 10 0 CGAEHO CC(C)(C)NCc1occc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543906 518771320 /nfs/dbraw/zinc/77/13/20/518771320.db2.gz CEYBANGHLIGBHG-GXTWGEPZSA-N 1 3 262.397 3.152 10 0 CGAEHO CC(C)(C)[NH2+]Cc1occc1CN1C[C@H]2CC[C@@H]1C2 ZINC000052543906 518771324 /nfs/dbraw/zinc/77/13/24/518771324.db2.gz CEYBANGHLIGBHG-GXTWGEPZSA-N 1 3 262.397 3.152 10 0 CGAEHO CC(C)C[NH2+]Cc1occc1CN1CCCCCC1 ZINC000052382102 519749370 /nfs/dbraw/zinc/74/93/70/519749370.db2.gz HPAUTFQKVJKYNG-UHFFFAOYSA-N 1 3 264.413 3.401 10 0 CGAEHO CC(C)[C@@H](C)[N@H+](C)Cc1occc1CNC1CC1 ZINC000052478417 519791255 /nfs/dbraw/zinc/79/12/55/519791255.db2.gz LXHOAVVKGHMKGC-GFCCVEGCSA-N 1 3 250.386 3.008 10 0 CGAEHO CC(C)[C@@H](C)[N@@H+](C)Cc1occc1CNC1CC1 ZINC000052478417 519791256 /nfs/dbraw/zinc/79/12/56/519791256.db2.gz LXHOAVVKGHMKGC-GFCCVEGCSA-N 1 3 250.386 3.008 10 0 CGAEHO CCNCc1ccccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000052373485 520005849 /nfs/dbraw/zinc/00/58/49/520005849.db2.gz VXCIHLKVJYMQMU-CABCVRRESA-N 1 3 260.425 3.417 10 0 CGAEHO CCNCc1ccccc1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000052373485 520005854 /nfs/dbraw/zinc/00/58/54/520005854.db2.gz VXCIHLKVJYMQMU-CABCVRRESA-N 1 3 260.425 3.417 10 0 CGAEHO CCNCc1ccoc1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000052504331 520010581 /nfs/dbraw/zinc/01/05/81/520010581.db2.gz UCPDZILPOFETCL-GFCCVEGCSA-N 1 3 252.402 3.256 10 0 CGAEHO CCNCc1ccoc1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000052504331 520010587 /nfs/dbraw/zinc/01/05/87/520010587.db2.gz UCPDZILPOFETCL-GFCCVEGCSA-N 1 3 252.402 3.256 10 0 CGAEHO C[NH2+]CCC[C@@H](C)N(C)Cc1ccccc1Cl ZINC000052371977 521997916 /nfs/dbraw/zinc/99/79/16/521997916.db2.gz KUNISBHNCBLZIA-GFCCVEGCSA-N 1 3 254.805 3.160 10 0 CGAEHO CC[NH+](CC)CCOc1ccc(CN2CCCCC2)cc1 ZINC000013526525 344880757 /nfs/dbraw/zinc/88/07/57/344880757.db2.gz CZXWJRBEKBQWJO-UHFFFAOYSA-N 1 3 290.451 3.393 10 0 CGAEHO c1ccc(C[N@@H+]2CCNCC[C@H]2c2ccccc2)cc1 ZINC000090751654 180036671 /nfs/dbraw/zinc/03/66/71/180036671.db2.gz AABNTADXCUOWBH-SFHVURJKSA-N 1 3 266.388 3.223 10 0 CGAEHO c1ccc(C[N@H+]2CCNCC[C@H]2c2ccccc2)cc1 ZINC000090751654 180036672 /nfs/dbraw/zinc/03/66/72/180036672.db2.gz AABNTADXCUOWBH-SFHVURJKSA-N 1 3 266.388 3.223 10 0 CGAEHO F[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000335399151 375269778 /nfs/dbraw/zinc/26/97/78/375269778.db2.gz MEHVWVFIQIXTPR-UKRRQHHQSA-N 1 3 268.420 3.264 10 0 CGAEHO Cc1cc(C)cc(OCCCN2CCCC[C@@H]2CC[NH3+])c1 ZINC000070149557 165057210 /nfs/dbraw/zinc/05/72/10/165057210.db2.gz YVNANDJTXPQNEB-QGZVFWFLSA-N 1 3 290.451 3.276 10 0 CGAEHO CC(C)[NH2+]Cc1sc2ccccc2c1CN(C)C ZINC000045206347 175328504 /nfs/dbraw/zinc/32/85/04/175328504.db2.gz XEDWIAKKZMNXCL-UHFFFAOYSA-N 1 3 262.422 3.461 10 0 CGAEHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183138179 270054968 /nfs/dbraw/zinc/05/49/68/270054968.db2.gz NANMBGQONTXKOV-WRNCNIFXSA-N 1 3 284.447 3.285 10 0 CGAEHO C[N@@H+]1CCC[C@H]2CN(Cc3cccc4cccnc43)CC[C@H]21 ZINC000248179334 277083986 /nfs/dbraw/zinc/08/39/86/277083986.db2.gz WDPKRDACPDKNDM-FUHWJXTLSA-N 1 3 295.430 3.151 10 0 CGAEHO C[N@H+]1CCC[C@H]2CN(Cc3cccc4cccnc43)CC[C@H]21 ZINC000248179334 277083987 /nfs/dbraw/zinc/08/39/87/277083987.db2.gz WDPKRDACPDKNDM-FUHWJXTLSA-N 1 3 295.430 3.151 10 0 CGAEHO CN1CCC[C@H]2C[N@H+](Cc3cccc4cccnc43)CC[C@H]21 ZINC000248179334 277083988 /nfs/dbraw/zinc/08/39/88/277083988.db2.gz WDPKRDACPDKNDM-FUHWJXTLSA-N 1 3 295.430 3.151 10 0 CGAEHO CN1CCC[C@H]2C[N@@H+](Cc3cccc4cccnc43)CC[C@H]21 ZINC000248179334 277083989 /nfs/dbraw/zinc/08/39/89/277083989.db2.gz WDPKRDACPDKNDM-FUHWJXTLSA-N 1 3 295.430 3.151 10 0 CGAEHO CCNCc1cc(C[N@@H+]2CCCC[C@H]2C)c(C)o1 ZINC000052379047 519988537 /nfs/dbraw/zinc/98/85/37/519988537.db2.gz VQVNPTMVLPNWQT-GFCCVEGCSA-N 1 3 250.386 3.072 10 0 CGAEHO CCNCc1cc(C[N@H+]2CCCC[C@H]2C)c(C)o1 ZINC000052379047 519988542 /nfs/dbraw/zinc/98/85/42/519988542.db2.gz VQVNPTMVLPNWQT-GFCCVEGCSA-N 1 3 250.386 3.072 10 0 CGAEHO CCCC[N@H+](Cc1ccc(CNC)o1)[C@@H](C)CC ZINC000052372651 520543956 /nfs/dbraw/zinc/54/39/56/520543956.db2.gz BUWWIPAPQOJDLM-ZDUSSCGKSA-N 1 3 252.402 3.400 10 0 CGAEHO CCCC[N@@H+](Cc1ccc(CNC)o1)[C@@H](C)CC ZINC000052372651 520543962 /nfs/dbraw/zinc/54/39/62/520543962.db2.gz BUWWIPAPQOJDLM-ZDUSSCGKSA-N 1 3 252.402 3.400 10 0 CGAEHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC2CC2)C1 ZINC000052381626 524234931 /nfs/dbraw/zinc/23/49/31/524234931.db2.gz MBFQDRGQEHAENI-CQSZACIVSA-N 1 3 258.409 3.171 10 0 CGAEHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC2CC2)C1 ZINC000052381626 524234939 /nfs/dbraw/zinc/23/49/39/524234939.db2.gz MBFQDRGQEHAENI-CQSZACIVSA-N 1 3 258.409 3.171 10 0 CGAEHO C[C@H](C1CC1)[N@H+](C)Cc1ccoc1CNC(C)(C)C ZINC000052479303 526205518 /nfs/dbraw/zinc/20/55/18/526205518.db2.gz TXCUSBBONNHHML-GFCCVEGCSA-N 1 3 264.413 3.398 10 0 CGAEHO C[C@H](C1CC1)[N@@H+](C)Cc1ccoc1CNC(C)(C)C ZINC000052479303 526205522 /nfs/dbraw/zinc/20/55/22/526205522.db2.gz TXCUSBBONNHHML-GFCCVEGCSA-N 1 3 264.413 3.398 10 0 CGAEHO CCCN1CC[C@H]([NH3+])C12CCC(C(C)(C)C)CC2 ZINC000712042040 567836948 /nfs/dbraw/zinc/83/69/48/567836948.db2.gz QHBFNWJXMXCDRW-BBBYJDLNSA-N 1 3 252.446 3.405 10 0 CGAEHO CC(C)(C)[NH2+]C[C@H]1CCN(CC2(C)CCCC2)C1 ZINC000104443592 186004332 /nfs/dbraw/zinc/00/43/32/186004332.db2.gz KOWOGOKLGPJYPX-CQSZACIVSA-N 1 3 252.446 3.277 10 0 CGAEHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248402282 377308461 /nfs/dbraw/zinc/30/84/61/377308461.db2.gz NANMBGQONTXKOV-QTUASDBPSA-N 1 3 284.447 3.285 10 0 CGAEHO C[C@H](N[C@H](c1ccccc1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000562958656 377379826 /nfs/dbraw/zinc/37/98/26/377379826.db2.gz JRNOXTCSLCMJTO-IAOVAPTHSA-N 1 3 258.409 3.115 10 0 CGAEHO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)[C@@H]1CCCNC1 ZINC000562958656 377379837 /nfs/dbraw/zinc/37/98/37/377379837.db2.gz JRNOXTCSLCMJTO-IAOVAPTHSA-N 1 3 258.409 3.115 10 0 CGAEHO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCCC2(F)F)C[C@@H]1CN ZINC000397396321 542617527 /nfs/dbraw/zinc/61/75/27/542617527.db2.gz GMTZSNWUZKZVDR-ZOBORPQBSA-N 1 3 274.399 3.117 10 0 CGAEHO C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCCC2(F)F)C[C@@H]1CN ZINC000397396321 542617529 /nfs/dbraw/zinc/61/75/29/542617529.db2.gz GMTZSNWUZKZVDR-ZOBORPQBSA-N 1 3 274.399 3.117 10 0 CGAEHO C[C@@H]1C[C@H](C)N(C[C@H]2CCCCC2(F)F)C[C@@H]1C[NH3+] ZINC000397396321 542617531 /nfs/dbraw/zinc/61/75/31/542617531.db2.gz GMTZSNWUZKZVDR-ZOBORPQBSA-N 1 3 274.399 3.117 10 0 CGAEHO COc1ccc([C@H]([NH2+]CCCN2CCCC2)C2CC2)cc1 ZINC000037229516 173050347 /nfs/dbraw/zinc/05/03/47/173050347.db2.gz XNLFQLHPXCXVHT-GOSISDBHSA-N 1 3 288.435 3.222 10 0 CGAEHO CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CN2CCCCC2)C1 ZINC000251607507 287835124 /nfs/dbraw/zinc/83/51/24/287835124.db2.gz KUHSVLCJIUZNTL-ARFHVFGLSA-N 1 3 252.446 3.277 10 0 CGAEHO CCNCc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)c(C)o1 ZINC000052510323 519991892 /nfs/dbraw/zinc/99/18/92/519991892.db2.gz MHYIZJRTEHANNM-STQMWFEESA-N 1 3 264.413 3.318 10 0 CGAEHO CCNCc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C)c(C)o1 ZINC000052510323 519991898 /nfs/dbraw/zinc/99/18/98/519991898.db2.gz MHYIZJRTEHANNM-STQMWFEESA-N 1 3 264.413 3.318 10 0 CGAEHO C[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@H]1CN1CCCCC1 ZINC000054559601 522398838 /nfs/dbraw/zinc/39/88/38/522398838.db2.gz KCVJLUKYKUYAEA-OWCLPIDISA-N 1 3 252.446 3.133 10 0 CGAEHO CCCNC[C@@H](C)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517460 519920570 /nfs/dbraw/zinc/92/05/70/519920570.db2.gz UDRBZENLWCVMII-GDBMZVCRSA-N 1 3 252.446 3.277 10 0 CGAEHO CCCNC[C@@H](C)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517460 519920573 /nfs/dbraw/zinc/92/05/73/519920573.db2.gz UDRBZENLWCVMII-GDBMZVCRSA-N 1 3 252.446 3.277 10 0 CGAEHO CNCc1ccoc1C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000052513510 522140727 /nfs/dbraw/zinc/14/07/27/522140727.db2.gz LVWINVBKWOVUMM-GXTWGEPZSA-N 1 3 250.386 3.010 10 0 CGAEHO CNCc1ccoc1C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000052513510 522140734 /nfs/dbraw/zinc/14/07/34/522140734.db2.gz LVWINVBKWOVUMM-GXTWGEPZSA-N 1 3 250.386 3.010 10 0 CGAEHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC1CC1 ZINC000052379078 524115624 /nfs/dbraw/zinc/11/56/24/524115624.db2.gz BDGNTQIDWNPIMJ-CQSZACIVSA-N 1 3 258.409 3.313 10 0 CGAEHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC1CC1 ZINC000052379078 524115635 /nfs/dbraw/zinc/11/56/35/524115635.db2.gz BDGNTQIDWNPIMJ-CQSZACIVSA-N 1 3 258.409 3.313 10 0 CGAEHO C[C@@H](C1CC1)[N@@H+](C)Cc1ccoc1CNC(C)(C)C ZINC000052479302 524319527 /nfs/dbraw/zinc/31/95/27/524319527.db2.gz TXCUSBBONNHHML-LBPRGKRZSA-N 1 3 264.413 3.398 10 0 CGAEHO C[C@@H](C1CC1)[N@H+](C)Cc1ccoc1CNC(C)(C)C ZINC000052479302 524319507 /nfs/dbraw/zinc/31/95/07/524319507.db2.gz TXCUSBBONNHHML-LBPRGKRZSA-N 1 3 264.413 3.398 10 0 CGAEHO c1ccc(C[N@@H+]2CCNCC[C@@H]2c2ccccc2)cc1 ZINC000090751653 180036396 /nfs/dbraw/zinc/03/63/96/180036396.db2.gz AABNTADXCUOWBH-GOSISDBHSA-N 1 3 266.388 3.223 10 0 CGAEHO c1ccc(C[N@H+]2CCNCC[C@@H]2c2ccccc2)cc1 ZINC000090751653 180036398 /nfs/dbraw/zinc/03/63/98/180036398.db2.gz AABNTADXCUOWBH-GOSISDBHSA-N 1 3 266.388 3.223 10 0 CGAEHO N[C@@H](CCCC[NH3+])c1c(F)ccc(Cl)c1Cl ZINC000575440023 377910996 /nfs/dbraw/zinc/91/09/96/377910996.db2.gz ZGJDTQGIEOXOBU-VIFPVBQESA-N 1 3 265.159 3.261 10 0 CGAEHO C[C@H](NCC[C@H]1CCC[N@@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000189915753 130038505 /nfs/dbraw/zinc/03/85/05/130038505.db2.gz AFJHEPOEUBLEAM-DOTOQJQBSA-N 1 3 298.434 3.007 10 0 CGAEHO C[C@H](NCC[C@H]1CCC[N@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000189915753 130038507 /nfs/dbraw/zinc/03/85/07/130038507.db2.gz AFJHEPOEUBLEAM-DOTOQJQBSA-N 1 3 298.434 3.007 10 0 CGAEHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1cccc(-n2ccnc2)c1 ZINC000189915753 130038508 /nfs/dbraw/zinc/03/85/08/130038508.db2.gz AFJHEPOEUBLEAM-DOTOQJQBSA-N 1 3 298.434 3.007 10 0 CGAEHO C1[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C12CCCC2 ZINC000335334164 392789810 /nfs/dbraw/zinc/78/98/10/392789810.db2.gz XNQLWWSFRWMGID-MRXNPFEDSA-N 1 3 262.441 3.316 10 0 CGAEHO C1[C@@H](NC2CC[NH+](C3CCCC3)CC2)C12CCCC2 ZINC000335334164 392789814 /nfs/dbraw/zinc/78/98/14/392789814.db2.gz XNQLWWSFRWMGID-MRXNPFEDSA-N 1 3 262.441 3.316 10 0 CGAEHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381564173 392911652 /nfs/dbraw/zinc/91/16/52/392911652.db2.gz IMMLKCBGFYYATA-XQQFMLRXSA-N 1 3 260.372 3.014 10 0 CGAEHO C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381564173 392911658 /nfs/dbraw/zinc/91/16/58/392911658.db2.gz IMMLKCBGFYYATA-XQQFMLRXSA-N 1 3 260.372 3.014 10 0 CGAEHO C[C@H](N)[C@H]1CCCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381564174 392912053 /nfs/dbraw/zinc/91/20/53/392912053.db2.gz IMMLKCBGFYYATA-YNEHKIRRSA-N 1 3 260.372 3.014 10 0 CGAEHO C[C@H](N)[C@H]1CCCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381564174 392912057 /nfs/dbraw/zinc/91/20/57/392912057.db2.gz IMMLKCBGFYYATA-YNEHKIRRSA-N 1 3 260.372 3.014 10 0 CGAEHO NCC[C@H]1CCCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000381724179 392913565 /nfs/dbraw/zinc/91/35/65/392913565.db2.gz RXRUJJMLHXKEHH-CHWSQXEVSA-N 1 3 260.372 3.015 10 0 CGAEHO NCC[C@H]1CCCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000381724179 392913573 /nfs/dbraw/zinc/91/35/73/392913573.db2.gz RXRUJJMLHXKEHH-CHWSQXEVSA-N 1 3 260.372 3.015 10 0 CGAEHO [NH3+]CC[C@H]1CCCCN1C[C@H]1CCCCC1(F)F ZINC000381724179 392913576 /nfs/dbraw/zinc/91/35/76/392913576.db2.gz RXRUJJMLHXKEHH-CHWSQXEVSA-N 1 3 260.372 3.015 10 0 CGAEHO CC(C)c1ccc([C@H](C)N[C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400719190 392947303 /nfs/dbraw/zinc/94/73/03/392947303.db2.gz OAJBJGPJHJGYBB-JJRVBVJISA-N 1 3 260.425 3.459 10 0 CGAEHO CN(C)Cc1ccccc1C[NH2+]CCCc1ccccc1 ZINC000020128670 171015184 /nfs/dbraw/zinc/01/51/84/171015184.db2.gz YLUDPWUAOJOLSM-UHFFFAOYSA-N 1 3 282.431 3.471 10 0 CGAEHO CC[NH+]1CCC([C@@H](C)N[C@H](C)c2ccco2)CC1 ZINC000035738478 172392071 /nfs/dbraw/zinc/39/20/71/172392071.db2.gz RTJDSOXOAWTGLT-CHWSQXEVSA-N 1 3 250.386 3.051 10 0 CGAEHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(O)cc1 ZINC000038041714 174042734 /nfs/dbraw/zinc/04/27/34/174042734.db2.gz KLZCCGQVXRZWKY-LSDHHAIUSA-N 1 3 276.424 3.165 10 0 CGAEHO CC(C)C[NH2+]Cc1ccc(CN2CCCC[C@H]2C)o1 ZINC000052378709 519747248 /nfs/dbraw/zinc/74/72/48/519747248.db2.gz PJBAUGXTRRMWHF-CQSZACIVSA-N 1 3 264.413 3.400 10 0 CGAEHO CC(C)(C)[C@@H](C[NH3+])N1CCC2(CCCCC2)CC1 ZINC000061818048 518917728 /nfs/dbraw/zinc/91/77/28/518917728.db2.gz TYSUMEGDMWXAOW-CQSZACIVSA-N 1 3 252.446 3.406 10 0 CGAEHO CC(C)[NH2+]Cc1coc(CN2CCC(C)CC2)c1 ZINC000052377072 519728613 /nfs/dbraw/zinc/72/86/13/519728613.db2.gz ZIQOCJXGOXRMKD-UHFFFAOYSA-N 1 3 250.386 3.010 10 0 CGAEHO CC(C)[C@H](C)[N@H+](C)Cc1occc1CNC1CC1 ZINC000052478418 519811835 /nfs/dbraw/zinc/81/18/35/519811835.db2.gz LXHOAVVKGHMKGC-LBPRGKRZSA-N 1 3 250.386 3.008 10 0 CGAEHO CC(C)[C@H](C)[N@@H+](C)Cc1occc1CNC1CC1 ZINC000052478418 519811836 /nfs/dbraw/zinc/81/18/36/519811836.db2.gz LXHOAVVKGHMKGC-LBPRGKRZSA-N 1 3 250.386 3.008 10 0 CGAEHO CCNCc1ccoc1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000052504330 520010850 /nfs/dbraw/zinc/01/08/50/520010850.db2.gz UCPDZILPOFETCL-LBPRGKRZSA-N 1 3 252.402 3.256 10 0 CGAEHO CCNCc1ccoc1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000052504330 520010853 /nfs/dbraw/zinc/01/08/53/520010853.db2.gz UCPDZILPOFETCL-LBPRGKRZSA-N 1 3 252.402 3.256 10 0 CGAEHO CNCc1occc1C[NH+]1CCC(C(C)(C)C)CC1 ZINC000052373611 522165597 /nfs/dbraw/zinc/16/55/97/522165597.db2.gz KKSPAMISYJWEBV-UHFFFAOYSA-N 1 3 264.413 3.257 10 0 CGAEHO NC[C@H]1CCC[C@@]12CCCC[N@@H+]2Cc1ccccc1 ZINC000096897643 185125399 /nfs/dbraw/zinc/12/53/99/185125399.db2.gz BEEZGAOKPXVTED-SJORKVTESA-N 1 3 258.409 3.170 10 0 CGAEHO NC[C@H]1CCC[C@@]12CCCC[N@H+]2Cc1ccccc1 ZINC000096897643 185125401 /nfs/dbraw/zinc/12/54/01/185125401.db2.gz BEEZGAOKPXVTED-SJORKVTESA-N 1 3 258.409 3.170 10 0 CGAEHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC1=[NH+]CCCC1 ZINC000306583278 346455550 /nfs/dbraw/zinc/45/55/50/346455550.db2.gz PPEFHSHXCCTGKC-RDJZCZTQSA-N 1 3 285.435 3.069 10 0 CGAEHO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248402283 377307729 /nfs/dbraw/zinc/30/77/29/377307729.db2.gz NANMBGQONTXKOV-SJQORLFUSA-N 1 3 284.447 3.285 10 0 CGAEHO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1F ZINC000181375488 542218406 /nfs/dbraw/zinc/21/84/06/542218406.db2.gz PJBYIFWEWALINP-DZGCQCFKSA-N 1 3 264.388 3.269 10 0 CGAEHO CC[C@@H]1CN(c2cc(C)nc3ccccc32)CC[C@H]1[NH3+] ZINC000251678353 542347276 /nfs/dbraw/zinc/34/72/76/542347276.db2.gz HUUCXWYFJBZSIS-UKRRQHHQSA-N 1 3 269.392 3.107 10 0 CGAEHO CCC[N@H+](C[C@@H]1CCCCC1(F)F)C1CCNCC1 ZINC000381680909 392912238 /nfs/dbraw/zinc/91/22/38/392912238.db2.gz MFACBVCOTNEJOG-ZDUSSCGKSA-N 1 3 274.399 3.276 10 0 CGAEHO CCC[N@@H+](C[C@@H]1CCCCC1(F)F)C1CCNCC1 ZINC000381680909 392912242 /nfs/dbraw/zinc/91/22/42/392912242.db2.gz MFACBVCOTNEJOG-ZDUSSCGKSA-N 1 3 274.399 3.276 10 0 CGAEHO CCCN(C[C@@H]1CCCCC1(F)F)C1CC[NH2+]CC1 ZINC000381680909 392912246 /nfs/dbraw/zinc/91/22/46/392912246.db2.gz MFACBVCOTNEJOG-ZDUSSCGKSA-N 1 3 274.399 3.276 10 0 CGAEHO C[C@H]1CCC[C@@](CN)([N@H+](C)Cc2ccsc2)C1 ZINC000035719091 172373173 /nfs/dbraw/zinc/37/31/73/172373173.db2.gz QSWALIJOQCYCQK-GXTWGEPZSA-N 1 3 252.427 3.088 10 0 CGAEHO C[C@H]1CCC[C@@](CN)([N@@H+](C)Cc2ccsc2)C1 ZINC000035719091 172373176 /nfs/dbraw/zinc/37/31/76/172373176.db2.gz QSWALIJOQCYCQK-GXTWGEPZSA-N 1 3 252.427 3.088 10 0 CGAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+]C(C2CC2)C2CC2)C1 ZINC000037220972 173038932 /nfs/dbraw/zinc/03/89/32/173038932.db2.gz OJZWZBOAEHGRMA-CZUORRHYSA-N 1 3 264.457 3.275 10 0 CGAEHO C(C1CCCC1)N1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000178158376 287537689 /nfs/dbraw/zinc/53/76/89/287537689.db2.gz VPBKZIFNSXFCHA-UHFFFAOYSA-N 1 3 276.468 3.419 10 0 CGAEHO CCC1CCC(C[NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000562958367 289746502 /nfs/dbraw/zinc/74/65/02/289746502.db2.gz GSPZZCJAUINGGL-PRLABOORSA-N 1 3 252.446 3.181 10 0 CGAEHO CNCc1ccoc1C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000052513507 522139627 /nfs/dbraw/zinc/13/96/27/522139627.db2.gz LVWINVBKWOVUMM-JSGCOSHPSA-N 1 3 250.386 3.010 10 0 CGAEHO CNCc1ccoc1C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000052513507 522139638 /nfs/dbraw/zinc/13/96/38/522139638.db2.gz LVWINVBKWOVUMM-JSGCOSHPSA-N 1 3 250.386 3.010 10 0 CGAEHO CC(C)NCC[C@@H](C)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517821 519722297 /nfs/dbraw/zinc/72/22/97/519722297.db2.gz ZQBZZIPSPHFUSK-GDBMZVCRSA-N 1 3 252.446 3.418 10 0 CGAEHO CC(C)NCC[C@@H](C)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517821 519722298 /nfs/dbraw/zinc/72/22/98/519722298.db2.gz ZQBZZIPSPHFUSK-GDBMZVCRSA-N 1 3 252.446 3.418 10 0 CGAEHO CCNCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000052420895 520008865 /nfs/dbraw/zinc/00/88/65/520008865.db2.gz SFZVBUYOUFKKMF-HUUCEWRRSA-N 1 3 260.425 3.274 10 0 CGAEHO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1CN1CCCC1 ZINC000054559481 520122305 /nfs/dbraw/zinc/12/23/05/520122305.db2.gz OERNEYDTUSDCBH-ARFHVFGLSA-N 1 3 252.446 3.133 10 0 CGAEHO CCC[C@@H](C)[N@H+](C)Cc1cc(CNCC)oc1C ZINC000052480768 520644901 /nfs/dbraw/zinc/64/49/01/520644901.db2.gz LXLZUXBQQHKWOM-GFCCVEGCSA-N 1 3 252.402 3.318 10 0 CGAEHO CCC[C@@H](C)[N@@H+](C)Cc1cc(CNCC)oc1C ZINC000052480768 520644910 /nfs/dbraw/zinc/64/49/10/520644910.db2.gz LXLZUXBQQHKWOM-GFCCVEGCSA-N 1 3 252.402 3.318 10 0 CGAEHO C[NH2+]CCC[C@H](C)N(C)Cc1ccccc1Cl ZINC000052371976 522000307 /nfs/dbraw/zinc/00/03/07/522000307.db2.gz KUNISBHNCBLZIA-LBPRGKRZSA-N 1 3 254.805 3.160 10 0 CGAEHO C[NH2+]Cc1sc2ccccc2c1CN(C)C1CC1 ZINC000052445148 522168723 /nfs/dbraw/zinc/16/87/23/522168723.db2.gz XYIISXAGNYIPSP-UHFFFAOYSA-N 1 3 260.406 3.215 10 0 CGAEHO CN(Cc1cc(C[NH2+]C(C)(C)C)co1)[C@@H]1CCSC1 ZINC000052453467 523171404 /nfs/dbraw/zinc/17/14/04/523171404.db2.gz SKLAHPUQSHNYNZ-CYBMUJFWSA-N 1 3 282.453 3.105 10 0 CGAEHO C[N@@H+]1CCCC[C@@H]1CCN[C@@H]1C[C@@H]1c1ccccc1 ZINC000052206144 523793647 /nfs/dbraw/zinc/79/36/47/523793647.db2.gz ZTEFRFZSOUIEMD-BRWVUGGUSA-N 1 3 258.409 3.007 10 0 CGAEHO C[N@H+]1CCCC[C@@H]1CCN[C@@H]1C[C@@H]1c1ccccc1 ZINC000052206144 523793652 /nfs/dbraw/zinc/79/36/52/523793652.db2.gz ZTEFRFZSOUIEMD-BRWVUGGUSA-N 1 3 258.409 3.007 10 0 CGAEHO Cc1ccc([C@@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000049159572 525739180 /nfs/dbraw/zinc/73/91/80/525739180.db2.gz GWBIJFCUXKJZQQ-BFHYXJOUSA-N 1 3 266.454 3.437 10 0 CGAEHO Cc1ccc([C@@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000049159572 525739191 /nfs/dbraw/zinc/73/91/91/525739191.db2.gz GWBIJFCUXKJZQQ-BFHYXJOUSA-N 1 3 266.454 3.437 10 0 CGAEHO NC1(c2cccc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000149851437 346131786 /nfs/dbraw/zinc/13/17/86/346131786.db2.gz KQRYTIGGLKUVBJ-UHFFFAOYSA-N 1 3 284.378 3.276 10 0 CGAEHO CCCc1cc(N2CC[C@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000301799386 201203181 /nfs/dbraw/zinc/20/31/81/201203181.db2.gz RMPLCLBRAKJWPV-HNNXBMFYSA-N 1 3 283.419 3.328 10 0 CGAEHO CCc1c(C)nc2ccccc2c1N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000302073500 201333237 /nfs/dbraw/zinc/33/32/37/201333237.db2.gz WTRZTJOBRROVEV-FZKQIMNGSA-N 1 3 297.446 3.492 10 0 CGAEHO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000159018057 372098657 /nfs/dbraw/zinc/09/86/57/372098657.db2.gz OUZICTNMHWMOIO-GJZGRUSLSA-N 1 3 278.440 3.322 10 0 CGAEHO Cc1cc(N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc[nH+]1 ZINC000302221957 373833010 /nfs/dbraw/zinc/83/30/10/373833010.db2.gz OEPFFIQGXZJSRK-KBXCAEBGSA-N 1 3 296.418 3.108 10 0 CGAEHO c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246982790 377131287 /nfs/dbraw/zinc/13/12/87/377131287.db2.gz VYGRODUMUMAURC-WMZOPIPTSA-N 1 3 270.420 3.135 10 0 CGAEHO c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246982790 377131293 /nfs/dbraw/zinc/13/12/93/377131293.db2.gz VYGRODUMUMAURC-WMZOPIPTSA-N 1 3 270.420 3.135 10 0 CGAEHO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC[C@H]1CCC[N@@H+]1C ZINC000248046525 377261216 /nfs/dbraw/zinc/26/12/16/377261216.db2.gz NDJOTPNDDJRAAC-UWWQBHOKSA-N 1 3 290.426 3.488 10 0 CGAEHO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC[C@H]1CCC[N@H+]1C ZINC000248046525 377261222 /nfs/dbraw/zinc/26/12/22/377261222.db2.gz NDJOTPNDDJRAAC-UWWQBHOKSA-N 1 3 290.426 3.488 10 0 CGAEHO CCCNC[C@H](C)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517462 519932192 /nfs/dbraw/zinc/93/21/92/519932192.db2.gz UDRBZENLWCVMII-GOEBONIOSA-N 1 3 252.446 3.277 10 0 CGAEHO CCCNC[C@H](C)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517462 519932198 /nfs/dbraw/zinc/93/21/98/519932198.db2.gz UDRBZENLWCVMII-GOEBONIOSA-N 1 3 252.446 3.277 10 0 CGAEHO CCNCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000052420894 520008502 /nfs/dbraw/zinc/00/85/02/520008502.db2.gz SFZVBUYOUFKKMF-GJZGRUSLSA-N 1 3 260.425 3.274 10 0 CGAEHO CCNCc1ccoc1C[N@@H+](C)[C@H](C)CC(C)C ZINC000052571833 520010954 /nfs/dbraw/zinc/01/09/54/520010954.db2.gz LNUYJVBILKUZIM-CYBMUJFWSA-N 1 3 252.402 3.256 10 0 CGAEHO CCNCc1ccoc1C[N@H+](C)[C@H](C)CC(C)C ZINC000052571833 520010950 /nfs/dbraw/zinc/01/09/50/520010950.db2.gz LNUYJVBILKUZIM-CYBMUJFWSA-N 1 3 252.402 3.256 10 0 CGAEHO CCNCc1coc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)c1 ZINC000052546806 520017331 /nfs/dbraw/zinc/01/73/31/520017331.db2.gz QHLFEBULQNCZMX-BBRMVZONSA-N 1 3 264.413 3.400 10 0 CGAEHO CCNCc1coc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)c1 ZINC000052546806 520017338 /nfs/dbraw/zinc/01/73/38/520017338.db2.gz QHLFEBULQNCZMX-BBRMVZONSA-N 1 3 264.413 3.400 10 0 CGAEHO CCCCCCN1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000062668347 520080196 /nfs/dbraw/zinc/08/01/96/520080196.db2.gz PVKYMDNVXHPOFX-SFHVURJKSA-N 1 3 274.452 3.473 10 0 CGAEHO CC[C@H]1CCCC[N@@H+]1Cc1cc(CNC)oc1C ZINC000052447860 523028966 /nfs/dbraw/zinc/02/89/66/523028966.db2.gz AZPNPAWCTMQPBW-AWEZNQCLSA-N 1 3 250.386 3.072 10 0 CGAEHO CC[C@H]1CCCC[N@H+]1Cc1cc(CNC)oc1C ZINC000052447860 523028972 /nfs/dbraw/zinc/02/89/72/523028972.db2.gz AZPNPAWCTMQPBW-AWEZNQCLSA-N 1 3 250.386 3.072 10 0 CGAEHO CC[C@H]1CCC[N@H+](Cc2occc2CNC(C)C)C1 ZINC000052479682 523092162 /nfs/dbraw/zinc/09/21/62/523092162.db2.gz YWBPISKZAQGWML-AWEZNQCLSA-N 1 3 264.413 3.400 10 0 CGAEHO CC[C@H]1CCC[N@@H+](Cc2occc2CNC(C)C)C1 ZINC000052479682 523092167 /nfs/dbraw/zinc/09/21/67/523092167.db2.gz YWBPISKZAQGWML-AWEZNQCLSA-N 1 3 264.413 3.400 10 0 CGAEHO CC[C@H](C)C[N@H+](C)Cc1oc2ccccc2c1CN ZINC000052454224 523870481 /nfs/dbraw/zinc/87/04/81/523870481.db2.gz WIPCISUCQAOVJF-LBPRGKRZSA-N 1 3 260.381 3.369 10 0 CGAEHO CC[C@H](C)C[N@@H+](C)Cc1oc2ccccc2c1CN ZINC000052454224 523870488 /nfs/dbraw/zinc/87/04/88/523870488.db2.gz WIPCISUCQAOVJF-LBPRGKRZSA-N 1 3 260.381 3.369 10 0 CGAEHO Cc1ccc([C@H](C)N2[C@@H]3CCC[C@H]2CC([NH3+])C3)cc1 ZINC000054602806 525884718 /nfs/dbraw/zinc/88/47/18/525884718.db2.gz BUDGLFXYQSYFPA-LNRIEFBSSA-N 1 3 258.409 3.400 10 0 CGAEHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000250683450 572530180 /nfs/dbraw/zinc/53/01/80/572530180.db2.gz ZMWHNDIGYJWAKV-ZOBORPQBSA-N 1 3 290.373 3.324 10 0 CGAEHO Cc1cc(C)c(CN(C)CC[C@H]([NH3+])C(C)C)c(C)c1 ZINC000123739060 138369997 /nfs/dbraw/zinc/36/99/97/138369997.db2.gz CIFALVXCCWERGD-KRWDZBQOSA-N 1 3 262.441 3.417 10 0 CGAEHO C[C@H](N[C@H](c1ccccc1)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400751359 299411431 /nfs/dbraw/zinc/41/14/31/299411431.db2.gz VSVKVYLNHVMGQH-NUEKZKHPSA-N 1 3 260.425 3.361 10 0 CGAEHO Cn1ccc2c1nc1ccccc1c2NCCC[NH+](C)C ZINC000169340344 372629637 /nfs/dbraw/zinc/62/96/37/372629637.db2.gz OKETXQFMFVAWNK-UHFFFAOYSA-N 1 3 282.391 3.090 10 0 CGAEHO C[C@H](N[C@H](c1ccccc1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000562958658 377378093 /nfs/dbraw/zinc/37/80/93/377378093.db2.gz JRNOXTCSLCMJTO-RRQGHBQHSA-N 1 3 258.409 3.115 10 0 CGAEHO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)[C@H]1CCCNC1 ZINC000562958658 377378099 /nfs/dbraw/zinc/37/80/99/377378099.db2.gz JRNOXTCSLCMJTO-RRQGHBQHSA-N 1 3 258.409 3.115 10 0 CGAEHO C1=CC[C@]2(CC1)CCCN(CCC[NH+]1CCCC1)C2 ZINC000153901934 392531532 /nfs/dbraw/zinc/53/15/32/392531532.db2.gz PKWFQFZJVZKLPC-KRWDZBQOSA-N 1 3 262.441 3.295 10 0 CGAEHO CC(C)N(CCC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043511962 175060668 /nfs/dbraw/zinc/06/06/68/175060668.db2.gz CJIPRHOQJSXUIJ-UHFFFAOYSA-N 1 3 274.330 3.265 10 0 CGAEHO CCCN[C@@H](C)c1csc(CC[NH+](CC)CC)n1 ZINC000076810776 177103305 /nfs/dbraw/zinc/10/33/05/177103305.db2.gz BMJGFONSPWYNCG-LBPRGKRZSA-N 1 3 269.458 3.088 10 0 CGAEHO CC(C)c1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228471810 262338788 /nfs/dbraw/zinc/33/87/88/262338788.db2.gz VOVZGZZGOHSCTE-RCCFBDPRSA-N 1 3 272.436 3.369 10 0 CGAEHO C[C@@H]1C[C@H](CN2CCCC[C@H]2c2nccs2)CC[NH2+]1 ZINC000414700706 278011390 /nfs/dbraw/zinc/01/13/90/278011390.db2.gz VBDSMVLEOSQMCF-MCIONIFRSA-N 1 3 279.453 3.058 10 0 CGAEHO CC[C@H](C1CCCCC1)[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000054628624 522087085 /nfs/dbraw/zinc/08/70/85/522087085.db2.gz CTEISPNWFWLRIX-WTXIUTQJSA-N 1 3 250.430 3.299 10 0 CGAEHO CC[C@H](C1CCCCC1)[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000054628624 522087090 /nfs/dbraw/zinc/08/70/90/522087090.db2.gz CTEISPNWFWLRIX-WTXIUTQJSA-N 1 3 250.430 3.299 10 0 CGAEHO CC(C)C[NH2+]CCCCCN1Cc2ccccc2C1 ZINC000052374481 519743142 /nfs/dbraw/zinc/74/31/42/519743142.db2.gz NTRAKCDPGCPHJB-UHFFFAOYSA-N 1 3 260.425 3.418 10 0 CGAEHO CNCc1coc(C[NH+](CC(C)C)CC(C)C)c1 ZINC000052484978 522148123 /nfs/dbraw/zinc/14/81/23/522148123.db2.gz DMCVQTSCMOGKFP-UHFFFAOYSA-N 1 3 252.402 3.113 10 0 CGAEHO C[C@@H]1CCCN1Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052375985 524261865 /nfs/dbraw/zinc/26/18/65/524261865.db2.gz WZKHPKVWVKFYDD-GFCCVEGCSA-N 1 3 250.386 3.152 10 0 CGAEHO NCc1c2ccccc2oc1C[NH+]1CCCCCC1 ZINC000052381959 527244056 /nfs/dbraw/zinc/24/40/56/527244056.db2.gz OXVYOSBIQLIAHT-UHFFFAOYSA-N 1 3 258.365 3.268 10 0 CGAEHO C[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)[C@H]1CCN ZINC000404374385 572331004 /nfs/dbraw/zinc/33/10/04/572331004.db2.gz RSAJFKOHTXZSIU-MCIONIFRSA-N 1 3 274.399 3.261 10 0 CGAEHO C[C@@H]1CCC[N@@H+](C[C@H]2CCCCC2(F)F)[C@H]1CCN ZINC000404374385 572331007 /nfs/dbraw/zinc/33/10/07/572331007.db2.gz RSAJFKOHTXZSIU-MCIONIFRSA-N 1 3 274.399 3.261 10 0 CGAEHO c1ccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000096950568 185138901 /nfs/dbraw/zinc/13/89/01/185138901.db2.gz KZCKITJHBRAVGV-SJORKVTESA-N 1 3 258.409 3.041 10 0 CGAEHO c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCNC2)cc1 ZINC000096950568 185138902 /nfs/dbraw/zinc/13/89/02/185138902.db2.gz KZCKITJHBRAVGV-SJORKVTESA-N 1 3 258.409 3.041 10 0 CGAEHO c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCNC2)cc1 ZINC000096950568 185138904 /nfs/dbraw/zinc/13/89/04/185138904.db2.gz KZCKITJHBRAVGV-SJORKVTESA-N 1 3 258.409 3.041 10 0 CGAEHO CC[N@H+](C)C[C@H]1CCN(c2ccnc3c(C)cccc23)C1 ZINC000301697411 201144593 /nfs/dbraw/zinc/14/45/93/201144593.db2.gz ZRCMAFGMPMBFTL-OAHLLOKOSA-N 1 3 283.419 3.321 10 0 CGAEHO CC[N@@H+](C)C[C@H]1CCN(c2ccnc3c(C)cccc23)C1 ZINC000301697411 201144597 /nfs/dbraw/zinc/14/45/97/201144597.db2.gz ZRCMAFGMPMBFTL-OAHLLOKOSA-N 1 3 283.419 3.321 10 0 CGAEHO CN1CCC[C@@H]1CC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000118992270 370635103 /nfs/dbraw/zinc/63/51/03/370635103.db2.gz WXLAIQFJKRBZRN-GOSISDBHSA-N 1 3 270.420 3.260 10 0 CGAEHO CN1CCC[C@@H]1CC[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000118992270 370635107 /nfs/dbraw/zinc/63/51/07/370635107.db2.gz WXLAIQFJKRBZRN-GOSISDBHSA-N 1 3 270.420 3.260 10 0 CGAEHO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000159018316 372098802 /nfs/dbraw/zinc/09/88/02/372098802.db2.gz OUZICTNMHWMOIO-LSDHHAIUSA-N 1 3 278.440 3.322 10 0 CGAEHO C[C@@H]1C[N@@H+]([C@@H]2CCSc3ccccc32)C[C@@]1(C)CN ZINC000388256444 379882684 /nfs/dbraw/zinc/88/26/84/379882684.db2.gz JRXUBWNUBYVCJW-XNRPHZJLSA-N 1 3 276.449 3.140 10 0 CGAEHO C[C@@H]1C[N@H+]([C@@H]2CCSc3ccccc32)C[C@@]1(C)CN ZINC000388256444 379882687 /nfs/dbraw/zinc/88/26/87/379882687.db2.gz JRXUBWNUBYVCJW-XNRPHZJLSA-N 1 3 276.449 3.140 10 0 CGAEHO C[C@@H]1CN([C@@H]2CCSc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000388256444 379882690 /nfs/dbraw/zinc/88/26/90/379882690.db2.gz JRXUBWNUBYVCJW-XNRPHZJLSA-N 1 3 276.449 3.140 10 0 CGAEHO CC(C)(C)NCCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045086649 175304518 /nfs/dbraw/zinc/30/45/18/175304518.db2.gz QAZQQIPYYNQEHF-OAHLLOKOSA-N 1 3 252.446 3.419 10 0 CGAEHO CC(C)(C)NCCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045086649 175304519 /nfs/dbraw/zinc/30/45/19/175304519.db2.gz QAZQQIPYYNQEHF-OAHLLOKOSA-N 1 3 252.446 3.419 10 0 CGAEHO CC[N@H+](Cc1ccc(F)cc1CN)C1CCCCC1 ZINC000071249922 176095089 /nfs/dbraw/zinc/09/50/89/176095089.db2.gz JCYGNGHXUAHIKD-UHFFFAOYSA-N 1 3 264.388 3.439 10 0 CGAEHO CC[N@@H+](Cc1ccc(F)cc1CN)C1CCCCC1 ZINC000071249922 176095090 /nfs/dbraw/zinc/09/50/90/176095090.db2.gz JCYGNGHXUAHIKD-UHFFFAOYSA-N 1 3 264.388 3.439 10 0 CGAEHO CC1(C)CC[C@@H]2CNCC[C@@H]2[N@@H+]1Cc1ccccc1 ZINC000076697651 177060756 /nfs/dbraw/zinc/06/07/56/177060756.db2.gz NKMRDGAVHXSOCS-CVEARBPZSA-N 1 3 258.409 3.039 10 0 CGAEHO CC1(C)CC[C@@H]2CNCC[C@@H]2[N@H+]1Cc1ccccc1 ZINC000076697651 177060757 /nfs/dbraw/zinc/06/07/57/177060757.db2.gz NKMRDGAVHXSOCS-CVEARBPZSA-N 1 3 258.409 3.039 10 0 CGAEHO Cc1cc(N[C@@H]2CCCC[C@@H]2[NH3+])c2ccccc2n1 ZINC000038050806 274719309 /nfs/dbraw/zinc/71/93/09/274719309.db2.gz YOMHAMWQUBCLLQ-DZGCQCFKSA-N 1 3 255.365 3.225 10 0 CGAEHO CC(C)C[N@H+](Cc1ccoc1CNC1CC1)C1CC1 ZINC000052515741 519718799 /nfs/dbraw/zinc/71/87/99/519718799.db2.gz KXLBXSPBSOZRQR-UHFFFAOYSA-N 1 3 262.397 3.152 10 0 CGAEHO CC(C)C[N@@H+](Cc1ccoc1CNC1CC1)C1CC1 ZINC000052515741 519718801 /nfs/dbraw/zinc/71/88/01/519718801.db2.gz KXLBXSPBSOZRQR-UHFFFAOYSA-N 1 3 262.397 3.152 10 0 CGAEHO CC[C@@H](C)[N@H+](CC)Cc1occc1CNC(C)C ZINC000052450979 522084560 /nfs/dbraw/zinc/08/45/60/522084560.db2.gz CUMFUUYQURGEMG-CYBMUJFWSA-N 1 3 252.402 3.398 10 0 CGAEHO CC[C@@H](C)[N@@H+](CC)Cc1occc1CNC(C)C ZINC000052450979 522084568 /nfs/dbraw/zinc/08/45/68/522084568.db2.gz CUMFUUYQURGEMG-CYBMUJFWSA-N 1 3 252.402 3.398 10 0 CGAEHO CC(C)[NH2+]Cc1ccoc1CN1CCC[C@@H](C)C1 ZINC000052381225 519727759 /nfs/dbraw/zinc/72/77/59/519727759.db2.gz LYRIDEOTCFYALH-CYBMUJFWSA-N 1 3 250.386 3.010 10 0 CGAEHO Cc1cc(CN2CCCCC2)oc1C[NH2+]C(C)C ZINC000052421371 524677293 /nfs/dbraw/zinc/67/72/93/524677293.db2.gz QXZMHNGMZHNZDG-UHFFFAOYSA-N 1 3 250.386 3.072 10 0 CGAEHO COCCC[C@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178159798 536665808 /nfs/dbraw/zinc/66/58/08/536665808.db2.gz OYDRNEUYPVUNTK-HNNXBMFYSA-N 1 3 282.472 3.046 10 0 CGAEHO Cc1cc(N2CCC(CC[NH3+])CC2)c2ccccc2n1 ZINC000053705788 345124401 /nfs/dbraw/zinc/12/44/01/345124401.db2.gz DPHBWYIQFQFQKH-UHFFFAOYSA-N 1 3 269.392 3.108 10 0 CGAEHO CN1CCC[C@H]1CC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000118992417 370635502 /nfs/dbraw/zinc/63/55/02/370635502.db2.gz WXLAIQFJKRBZRN-SFHVURJKSA-N 1 3 270.420 3.260 10 0 CGAEHO CN1CCC[C@H]1CC[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000118992417 370635509 /nfs/dbraw/zinc/63/55/09/370635509.db2.gz WXLAIQFJKRBZRN-SFHVURJKSA-N 1 3 270.420 3.260 10 0 CGAEHO c1ccc(N[C@@H]2CCC[N@@H+](CCCN3CCCC3)C2)cc1 ZINC000163313714 372461335 /nfs/dbraw/zinc/46/13/35/372461335.db2.gz QPRNPNQEWGDJPJ-GOSISDBHSA-N 1 3 287.451 3.049 10 0 CGAEHO c1ccc(N[C@@H]2CCC[N@H+](CCCN3CCCC3)C2)cc1 ZINC000163313714 372461345 /nfs/dbraw/zinc/46/13/45/372461345.db2.gz QPRNPNQEWGDJPJ-GOSISDBHSA-N 1 3 287.451 3.049 10 0 CGAEHO COCCC[C@@H](C)[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000178159811 249053668 /nfs/dbraw/zinc/05/36/68/249053668.db2.gz OYDRNEUYPVUNTK-OAHLLOKOSA-N 1 3 282.472 3.046 10 0 CGAEHO Cc1ccccc1[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000251187910 377576523 /nfs/dbraw/zinc/57/65/23/377576523.db2.gz YHHWHCDHNCEDAZ-LVQVYYBASA-N 1 3 258.409 3.271 10 0 CGAEHO Cc1ccccc1[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000251187910 377576529 /nfs/dbraw/zinc/57/65/29/377576529.db2.gz YHHWHCDHNCEDAZ-LVQVYYBASA-N 1 3 258.409 3.271 10 0 CGAEHO CN1CC=C(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000392232906 379910619 /nfs/dbraw/zinc/91/06/19/379910619.db2.gz SYUKHLUSVMEKBJ-JKSUJKDBSA-N 1 3 264.457 3.443 10 0 CGAEHO Cc1ccsc1[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000382424893 392920585 /nfs/dbraw/zinc/92/05/85/392920585.db2.gz WCHFGWAEACJJJG-MBNYWOFBSA-N 1 3 252.427 3.034 10 0 CGAEHO Cc1ccsc1[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000382424893 392920590 /nfs/dbraw/zinc/92/05/90/392920590.db2.gz WCHFGWAEACJJJG-MBNYWOFBSA-N 1 3 252.427 3.034 10 0 CGAEHO C[C@H](CCCC(F)(F)F)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311056104 298382577 /nfs/dbraw/zinc/38/25/77/298382577.db2.gz VWQCECGJRFQGAW-IJLUTSLNSA-N 1 3 266.351 3.024 10 0 CGAEHO C[C@H](CCCC(F)(F)F)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000311056104 298382581 /nfs/dbraw/zinc/38/25/81/298382581.db2.gz VWQCECGJRFQGAW-IJLUTSLNSA-N 1 3 266.351 3.024 10 0 CGAEHO C[C@H](CCCC(F)(F)F)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000311056104 298382585 /nfs/dbraw/zinc/38/25/85/298382585.db2.gz VWQCECGJRFQGAW-IJLUTSLNSA-N 1 3 266.351 3.024 10 0 CGAEHO CN(C)Cc1ccccc1C[NH2+]CC1CCCCC1 ZINC000020128591 171015687 /nfs/dbraw/zinc/01/56/87/171015687.db2.gz RGCCEUOPKVSYBP-UHFFFAOYSA-N 1 3 260.425 3.418 10 0 CGAEHO CC(C)[C@H]([NH3+])CCN(C)[C@H]1CCCc2ccccc21 ZINC000251354214 280283224 /nfs/dbraw/zinc/28/32/24/280283224.db2.gz TUOZXCDYMKBGQI-SJORKVTESA-N 1 3 260.425 3.369 10 0 CGAEHO CCC[NH2+]Cc1ccoc1CN(CC(C)C)C1CC1 ZINC000052515683 519958086 /nfs/dbraw/zinc/95/80/86/519958086.db2.gz BQDSIDHNFBRNIN-UHFFFAOYSA-N 1 3 264.413 3.400 10 0 CGAEHO CCNCc1occc1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000052504396 520029471 /nfs/dbraw/zinc/02/94/71/520029471.db2.gz BKOSGZKDKRKKQQ-LBPRGKRZSA-N 1 3 252.402 3.256 10 0 CGAEHO CCNCc1occc1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000052504396 520029482 /nfs/dbraw/zinc/02/94/82/520029482.db2.gz BKOSGZKDKRKKQQ-LBPRGKRZSA-N 1 3 252.402 3.256 10 0 CGAEHO CC[C@@H](C)C[N@H+](C)Cc1ccccc1CNC1CC1 ZINC000052454429 521971915 /nfs/dbraw/zinc/97/19/15/521971915.db2.gz RMACGFZGVUUIPE-CQSZACIVSA-N 1 3 260.425 3.417 10 0 CGAEHO CC[C@@H](C)C[N@@H+](C)Cc1ccccc1CNC1CC1 ZINC000052454429 521971922 /nfs/dbraw/zinc/97/19/22/521971922.db2.gz RMACGFZGVUUIPE-CQSZACIVSA-N 1 3 260.425 3.417 10 0 CGAEHO CNCc1occc1C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000052513664 522165627 /nfs/dbraw/zinc/16/56/27/522165627.db2.gz DYSLCRFFXWHOBR-JSGCOSHPSA-N 1 3 250.386 3.010 10 0 CGAEHO CNCc1occc1C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000052513664 522165639 /nfs/dbraw/zinc/16/56/39/522165639.db2.gz DYSLCRFFXWHOBR-JSGCOSHPSA-N 1 3 250.386 3.010 10 0 CGAEHO CCN(CCCCCC[NH3+])Cc1ccccc1OC ZINC000142329310 346111215 /nfs/dbraw/zinc/11/12/15/346111215.db2.gz BODKONQGGOUCAV-UHFFFAOYSA-N 1 3 264.413 3.036 10 0 CGAEHO CCCC[C@](C=C=C(C)C)(CC)C[NH2+]CCCNCCO ZINC000584603108 346690642 /nfs/dbraw/zinc/69/06/42/346690642.db2.gz MUEQFVXCVYROJL-SFHVURJKSA-N 1 3 296.499 3.256 10 0 CGAEHO FC(F)(F)C1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000127915206 370957282 /nfs/dbraw/zinc/95/72/82/370957282.db2.gz IRLBTFNPHZSXST-PQAZSJQKSA-N 1 3 290.373 3.324 10 0 CGAEHO CN1CCC[C@@H]2C[N@H+](CCCc3cccc(F)c3)CC[C@H]21 ZINC000245522019 376842343 /nfs/dbraw/zinc/84/23/43/376842343.db2.gz LHHROMZZNUGNMK-SJLPKXTDSA-N 1 3 290.426 3.174 10 0 CGAEHO CN1CCC[C@@H]2C[N@@H+](CCCc3cccc(F)c3)CC[C@H]21 ZINC000245522019 376842354 /nfs/dbraw/zinc/84/23/54/376842354.db2.gz LHHROMZZNUGNMK-SJLPKXTDSA-N 1 3 290.426 3.174 10 0 CGAEHO C[N@@H+]1CCC[C@@H]2CN(CCCc3cccc(F)c3)CC[C@H]21 ZINC000245522019 376842361 /nfs/dbraw/zinc/84/23/61/376842361.db2.gz LHHROMZZNUGNMK-SJLPKXTDSA-N 1 3 290.426 3.174 10 0 CGAEHO C[N@H+]1CCC[C@@H]2CN(CCCc3cccc(F)c3)CC[C@H]21 ZINC000245522019 376842368 /nfs/dbraw/zinc/84/23/68/376842368.db2.gz LHHROMZZNUGNMK-SJLPKXTDSA-N 1 3 290.426 3.174 10 0 CGAEHO CC(C)[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000562958992 377379972 /nfs/dbraw/zinc/37/99/72/377379972.db2.gz IUAIYCWSNSESDB-PVAVHDDUSA-N 1 3 260.425 3.361 10 0 CGAEHO CC(C)[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)c1ccccc1 ZINC000562958992 377379977 /nfs/dbraw/zinc/37/99/77/377379977.db2.gz IUAIYCWSNSESDB-PVAVHDDUSA-N 1 3 260.425 3.361 10 0 CGAEHO CC(C)C[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400755065 379952593 /nfs/dbraw/zinc/95/25/93/379952593.db2.gz WSVSWNVJNDSSPU-UAGQMJEPSA-N 1 3 260.425 3.361 10 0 CGAEHO FC1(F)CCCC[C@@H]1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000394678787 397696037 /nfs/dbraw/zinc/69/60/37/397696037.db2.gz XJFZQJZLXJXSCW-KFWWJZLASA-N 1 3 286.410 3.276 10 0 CGAEHO C[C@H]([NH2+][C@H]1CCCC12CCCCC2)[C@H]1CCCNC1 ZINC000665233584 419087322 /nfs/dbraw/zinc/08/73/22/419087322.db2.gz LBPITKMQCDQKOB-JYJNAYRXSA-N 1 3 264.457 3.467 10 0 CGAEHO CCS[C@H]1CCCCN(CCC[NH+]2CCCC2)C1 ZINC000153697791 276399909 /nfs/dbraw/zinc/39/99/09/276399909.db2.gz KFDMKXMULHHFOH-HNNXBMFYSA-N 1 3 270.486 3.080 10 0 CGAEHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000580541201 335250197 /nfs/dbraw/zinc/25/01/97/335250197.db2.gz NIERWRUOKGDLKO-FZKCQIBNSA-N 1 3 252.446 3.179 10 0 CGAEHO CC(C)C[NH2+]Cc1ccoc1CN1C[C@H]2CC[C@@H]1C2 ZINC000052543802 519747930 /nfs/dbraw/zinc/74/79/30/519747930.db2.gz IYBWSQBRRDWVIK-DZGCQCFKSA-N 1 3 262.397 3.010 10 0 CGAEHO CC[N@H+](Cc1c2ccccc2oc1CNC)C1CC1 ZINC000052451932 521279904 /nfs/dbraw/zinc/27/99/04/521279904.db2.gz UFVHRRMMAPMBKB-UHFFFAOYSA-N 1 3 258.365 3.137 10 0 CGAEHO CC[N@@H+](Cc1c2ccccc2oc1CNC)C1CC1 ZINC000052451932 521279914 /nfs/dbraw/zinc/27/99/14/521279914.db2.gz UFVHRRMMAPMBKB-UHFFFAOYSA-N 1 3 258.365 3.137 10 0 CGAEHO CC[NH+](CC)CCNc1ccnc2c(C)cccc12 ZINC000301707832 201151559 /nfs/dbraw/zinc/15/15/59/201151559.db2.gz HAFDXPHSYFTXNU-UHFFFAOYSA-N 1 3 257.381 3.297 10 0 CGAEHO C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400751358 299352374 /nfs/dbraw/zinc/35/23/74/299352374.db2.gz VSVKVYLNHVMGQH-IMJJTQAJSA-N 1 3 260.425 3.361 10 0 CGAEHO C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)[C@@H]1CC[NH2+]C1 ZINC000400473659 296150842 /nfs/dbraw/zinc/15/08/42/296150842.db2.gz YWRXRYFFRMCNHD-PMUMKWKESA-N 1 3 272.436 3.214 10 0 CGAEHO CCc1c(C)nc2ccccc2c1N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000302073499 373818030 /nfs/dbraw/zinc/81/80/30/373818030.db2.gz WTRZTJOBRROVEV-ACJLOTCBSA-N 1 3 297.446 3.492 10 0 CGAEHO CC[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000400399442 379949969 /nfs/dbraw/zinc/94/99/69/379949969.db2.gz KDKVUSHLAZEVQZ-KYOSRNDESA-N 1 3 266.816 3.379 10 0 CGAEHO CCCn1ccc(C[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000091012666 165250439 /nfs/dbraw/zinc/25/04/39/165250439.db2.gz BVRGMSJEEIWEBY-MRXNPFEDSA-N 1 3 277.456 3.110 10 0 CGAEHO CC(C)Cc1ccc([C@@H](C)[N@@H+]2CCCNCC2)cc1 ZINC000038086992 174098857 /nfs/dbraw/zinc/09/88/57/174098857.db2.gz KHZNQQLBYXEGFH-OAHLLOKOSA-N 1 3 260.425 3.241 10 0 CGAEHO CC(C)Cc1ccc([C@@H](C)[N@H+]2CCCNCC2)cc1 ZINC000038086992 174098860 /nfs/dbraw/zinc/09/88/60/174098860.db2.gz KHZNQQLBYXEGFH-OAHLLOKOSA-N 1 3 260.425 3.241 10 0 CGAEHO CN(C)Cc1c2ccccc2sc1C[NH2+]C1CC1 ZINC000045206348 175328431 /nfs/dbraw/zinc/32/84/31/175328431.db2.gz NOGZXGNQZJCXEM-UHFFFAOYSA-N 1 3 260.406 3.215 10 0 CGAEHO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(F)cc1CN ZINC000071263503 176096920 /nfs/dbraw/zinc/09/69/20/176096920.db2.gz OVZJIQNGSLXPBI-LRDDRELGSA-N 1 3 264.388 3.295 10 0 CGAEHO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(F)cc1CN ZINC000071263503 176096921 /nfs/dbraw/zinc/09/69/21/176096921.db2.gz OVZJIQNGSLXPBI-LRDDRELGSA-N 1 3 264.388 3.295 10 0 CGAEHO CCC[C@H](C)N(C)Cc1occc1C[NH2+]C(C)C ZINC000052480551 521037028 /nfs/dbraw/zinc/03/70/28/521037028.db2.gz IRRDDTGFRAUXDP-ZDUSSCGKSA-N 1 3 252.402 3.398 10 0 CGAEHO CCC[NH2+]Cc1cc(CN2CCCC[C@@H]2C)oc1C ZINC000052378669 519946346 /nfs/dbraw/zinc/94/63/46/519946346.db2.gz XMXFKVGXPNAJDX-ZDUSSCGKSA-N 1 3 264.413 3.462 10 0 CGAEHO CCCNCc1ccc(C[N@H+](C)[C@@H](C)C(C)C)o1 ZINC000052478441 519948846 /nfs/dbraw/zinc/94/88/46/519948846.db2.gz BISFVFFWMLISNH-ZDUSSCGKSA-N 1 3 252.402 3.256 10 0 CGAEHO CCCNCc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)o1 ZINC000052478441 519948857 /nfs/dbraw/zinc/94/88/57/519948857.db2.gz BISFVFFWMLISNH-ZDUSSCGKSA-N 1 3 252.402 3.256 10 0 CGAEHO CNCc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)oc1C ZINC000052546641 522103312 /nfs/dbraw/zinc/10/33/12/522103312.db2.gz FVOBXCIFWQHMPX-BLLLJJGKSA-N 1 3 264.413 3.318 10 0 CGAEHO CNCc1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)oc1C ZINC000052546641 522103323 /nfs/dbraw/zinc/10/33/23/522103323.db2.gz FVOBXCIFWQHMPX-BLLLJJGKSA-N 1 3 264.413 3.318 10 0 CGAEHO CNCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]1C ZINC000052375758 522160915 /nfs/dbraw/zinc/16/09/15/522160915.db2.gz CURNAYKMKDSEDX-LBPRGKRZSA-N 1 3 258.365 3.137 10 0 CGAEHO CNCc1oc2ccccc2c1C[N@H+]1CCC[C@@H]1C ZINC000052375758 522160925 /nfs/dbraw/zinc/16/09/25/522160925.db2.gz CURNAYKMKDSEDX-LBPRGKRZSA-N 1 3 258.365 3.137 10 0 CGAEHO C[C@H](N[C@H](c1ccccc1)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400751357 299411440 /nfs/dbraw/zinc/41/14/40/299411440.db2.gz VSVKVYLNHVMGQH-CWRNSKLLSA-N 1 3 260.425 3.361 10 0 CGAEHO N[C@H](CCC[NH3+])c1c(Cl)ccc(Cl)c1Cl ZINC000575439927 377911059 /nfs/dbraw/zinc/91/10/59/377911059.db2.gz YCROBGQLLQXJBD-MRVPVSSYSA-N 1 3 267.587 3.386 10 0 CGAEHO Cc1cc(N2CCC[N@@H+](C3CC3)CC2)c2ccccc2n1 ZINC000171831436 392617424 /nfs/dbraw/zinc/61/74/24/392617424.db2.gz JYNDSMSTRMRDBA-UHFFFAOYSA-N 1 3 281.403 3.218 10 0 CGAEHO Cc1cc(N2CCC[N@H+](C3CC3)CC2)c2ccccc2n1 ZINC000171831436 392617426 /nfs/dbraw/zinc/61/74/26/392617426.db2.gz JYNDSMSTRMRDBA-UHFFFAOYSA-N 1 3 281.403 3.218 10 0 CGAEHO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1C ZINC000678744202 543552632 /nfs/dbraw/zinc/55/26/32/543552632.db2.gz ZXLJLCHBGCPTSJ-WBVHZDCISA-N 1 3 260.425 3.438 10 0 CGAEHO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1C ZINC000678744199 543552641 /nfs/dbraw/zinc/55/26/41/543552641.db2.gz ZXLJLCHBGCPTSJ-DOTOQJQBSA-N 1 3 260.425 3.438 10 0 CGAEHO Cc1ccsc1CNCc1ccccc1C[NH+](C)C ZINC000020128587 171015137 /nfs/dbraw/zinc/01/51/37/171015137.db2.gz DIPRSTQFTWNGGA-UHFFFAOYSA-N 1 3 274.433 3.408 10 0 CGAEHO C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2CN(C)C)C1 ZINC000020128579 171015578 /nfs/dbraw/zinc/01/55/78/171015578.db2.gz KNVYDKDYZZTIMO-YOEHRIQHSA-N 1 3 260.425 3.417 10 0 CGAEHO CCC(CC)[C@H](CN)[N@H+](C)Cc1cccc(F)c1 ZINC000020266532 171123486 /nfs/dbraw/zinc/12/34/86/171123486.db2.gz SMHZDJXADMUFKT-HNNXBMFYSA-N 1 3 252.377 3.021 10 0 CGAEHO CCC(CC)[C@H](CN)[N@@H+](C)Cc1cccc(F)c1 ZINC000020266532 171123488 /nfs/dbraw/zinc/12/34/88/171123488.db2.gz SMHZDJXADMUFKT-HNNXBMFYSA-N 1 3 252.377 3.021 10 0 CGAEHO CCN(Cc1cc(C[NH3+])ccc1F)C1CCCC1 ZINC000035765225 172406148 /nfs/dbraw/zinc/40/61/48/172406148.db2.gz JGJYSDUZRKJSTR-UHFFFAOYSA-N 1 3 250.361 3.049 10 0 CGAEHO C[C@H]([NH2+][C@@H]1CCCC12CCCCC2)[C@@H]1CCCNC1 ZINC000665233582 419086410 /nfs/dbraw/zinc/08/64/10/419086410.db2.gz LBPITKMQCDQKOB-ARFHVFGLSA-N 1 3 264.457 3.467 10 0 CGAEHO C[C@H]([NH2+]CC(C1CCC1)C1CCC1)[C@H]1CCCNC1 ZINC000530211010 288300366 /nfs/dbraw/zinc/30/03/66/288300366.db2.gz LFIFJIPRMOVBOF-BBRMVZONSA-N 1 3 264.457 3.181 10 0 CGAEHO CCCCC[N@H+](C)Cc1ccoc1CNC1CC1 ZINC000052454747 520150960 /nfs/dbraw/zinc/15/09/60/520150960.db2.gz OKFVJVNSPNKZTN-UHFFFAOYSA-N 1 3 250.386 3.154 10 0 CGAEHO CCCCC[N@@H+](C)Cc1ccoc1CNC1CC1 ZINC000052454747 520150968 /nfs/dbraw/zinc/15/09/68/520150968.db2.gz OKFVJVNSPNKZTN-UHFFFAOYSA-N 1 3 250.386 3.154 10 0 CGAEHO CC(C)NC[C@@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000053011172 519723447 /nfs/dbraw/zinc/72/34/47/519723447.db2.gz OCXBLKMSBOEJCS-HNNXBMFYSA-N 1 3 252.446 3.419 10 0 CGAEHO CC(C)NC[C@@H]1CC[N@H+](C2CCCCCCC2)C1 ZINC000053011172 519723448 /nfs/dbraw/zinc/72/34/48/519723448.db2.gz OCXBLKMSBOEJCS-HNNXBMFYSA-N 1 3 252.446 3.419 10 0 CGAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC000054628024 519910561 /nfs/dbraw/zinc/91/05/61/519910561.db2.gz HAYWIODZXCPBRP-MQVJKMGUSA-N 1 3 250.430 3.172 10 0 CGAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC000054628024 519910563 /nfs/dbraw/zinc/91/05/63/519910563.db2.gz HAYWIODZXCPBRP-MQVJKMGUSA-N 1 3 250.430 3.172 10 0 CGAEHO CCC[NH2+]Cc1oc(CN2CCCCC2)cc1C ZINC000052421368 519973017 /nfs/dbraw/zinc/97/30/17/519973017.db2.gz DDOHQFCFROUXHE-UHFFFAOYSA-N 1 3 250.386 3.074 10 0 CGAEHO CCC(CC)N(CCOC)C[C@H](C)C[NH2+]C(C)(C)C ZINC000052573315 521559044 /nfs/dbraw/zinc/55/90/44/521559044.db2.gz LOELBONIUAONJI-CQSZACIVSA-N 1 3 272.477 3.148 10 0 CGAEHO CNCc1ccoc1C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000052513505 522140309 /nfs/dbraw/zinc/14/03/09/522140309.db2.gz LVWINVBKWOVUMM-OCCSQVGLSA-N 1 3 250.386 3.010 10 0 CGAEHO CNCc1ccoc1C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000052513505 522140314 /nfs/dbraw/zinc/14/03/14/522140314.db2.gz LVWINVBKWOVUMM-OCCSQVGLSA-N 1 3 250.386 3.010 10 0 CGAEHO C[C@H]1CCN(Cc2occc2C[NH2+]C(C)(C)C)C1 ZINC000052484379 524303351 /nfs/dbraw/zinc/30/33/51/524303351.db2.gz FOLVSRVRIAENOL-LBPRGKRZSA-N 1 3 250.386 3.010 10 0 CGAEHO [NH3+][C@H]1CCCC[C@@]12CCCN(Cc1ccccc1)C2 ZINC000096897662 185125606 /nfs/dbraw/zinc/12/56/06/185125606.db2.gz UERIYNRPQKDILW-IRXDYDNUSA-N 1 3 258.409 3.170 10 0 CGAEHO CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000629531487 350703928 /nfs/dbraw/zinc/70/39/28/350703928.db2.gz MWVJYJOZPRZIAW-NWDGAFQWSA-N 1 3 262.388 3.036 10 0 CGAEHO C[C@H](C[NH2+]CC1CCC(C)CC1)CN1CCCC1 ZINC000089577071 138343205 /nfs/dbraw/zinc/34/32/05/138343205.db2.gz ANJQXMDXICOKJV-HWOWSKLDSA-N 1 3 252.446 3.134 10 0 CGAEHO C[N@H+](CCCN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000085636065 370019365 /nfs/dbraw/zinc/01/93/65/370019365.db2.gz NEGROWWDEPKZPQ-BBWFWOEESA-N 1 3 294.483 3.044 10 0 CGAEHO C[N@@H+](CCCN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000085636065 370019368 /nfs/dbraw/zinc/01/93/68/370019368.db2.gz NEGROWWDEPKZPQ-BBWFWOEESA-N 1 3 294.483 3.044 10 0 CGAEHO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000159018183 372099397 /nfs/dbraw/zinc/09/93/97/372099397.db2.gz OUZICTNMHWMOIO-HUUCEWRRSA-N 1 3 278.440 3.322 10 0 CGAEHO CC[C@H](c1cccc(F)c1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311416394 374241506 /nfs/dbraw/zinc/24/15/06/374241506.db2.gz DFGZHUKXJVVONH-DAXOMENPSA-N 1 3 264.388 3.194 10 0 CGAEHO CC[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000311416394 374241510 /nfs/dbraw/zinc/24/15/10/374241510.db2.gz DFGZHUKXJVVONH-DAXOMENPSA-N 1 3 264.388 3.194 10 0 CGAEHO CC[C@H](c1cccc(F)c1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000311416394 374241515 /nfs/dbraw/zinc/24/15/15/374241515.db2.gz DFGZHUKXJVVONH-DAXOMENPSA-N 1 3 264.388 3.194 10 0 CGAEHO CC(C)[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000562958993 377378929 /nfs/dbraw/zinc/37/89/29/377378929.db2.gz IUAIYCWSNSESDB-UAGQMJEPSA-N 1 3 260.425 3.361 10 0 CGAEHO CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)c1ccccc1 ZINC000562958993 377378943 /nfs/dbraw/zinc/37/89/43/377378943.db2.gz IUAIYCWSNSESDB-UAGQMJEPSA-N 1 3 260.425 3.361 10 0 CGAEHO C[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000400339343 379949165 /nfs/dbraw/zinc/94/91/65/379949165.db2.gz FDFSPPKPQOGXSG-OFQRWUPVSA-N 1 3 268.404 3.488 10 0 CGAEHO C[NH+](C)Cc1ccccc1CNCc1cccs1 ZINC000020128581 171015067 /nfs/dbraw/zinc/01/50/67/171015067.db2.gz MFXOAVOLGMSUCL-UHFFFAOYSA-N 1 3 260.406 3.100 10 0 CGAEHO C[C@H](C[NH2+][C@H](C)c1ccc(O)cc1)CN1CCCCC1 ZINC000038041715 174043585 /nfs/dbraw/zinc/04/35/85/174043585.db2.gz KLZCCGQVXRZWKY-HUUCEWRRSA-N 1 3 276.424 3.165 10 0 CGAEHO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(F)cc1CN ZINC000071263506 176097031 /nfs/dbraw/zinc/09/70/31/176097031.db2.gz OVZJIQNGSLXPBI-BLLLJJGKSA-N 1 3 264.388 3.295 10 0 CGAEHO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(F)cc1CN ZINC000071263506 176097032 /nfs/dbraw/zinc/09/70/32/176097032.db2.gz OVZJIQNGSLXPBI-BLLLJJGKSA-N 1 3 264.388 3.295 10 0 CGAEHO c1c2ccccc2[nH]c1CN1CCC2(CC[NH2+]CC2)CC1 ZINC000072164230 176330423 /nfs/dbraw/zinc/33/04/23/176330423.db2.gz FPDTXTNYUQSFCH-UHFFFAOYSA-N 1 3 283.419 3.134 10 0 CGAEHO CCCNCc1occc1C[N@@H+]1CC[C@H](C)C[C@@H]1C ZINC000052510005 519972274 /nfs/dbraw/zinc/97/22/74/519972274.db2.gz CMIHZVLUTVIJSX-KBPBESRZSA-N 1 3 264.413 3.400 10 0 CGAEHO CCCNCc1occc1C[N@H+]1CC[C@H](C)C[C@@H]1C ZINC000052510005 519972283 /nfs/dbraw/zinc/97/22/83/519972283.db2.gz CMIHZVLUTVIJSX-KBPBESRZSA-N 1 3 264.413 3.400 10 0 CGAEHO CCC[NH2+]Cc1occc1CN1CC[C@H](C)C[C@@H]1C ZINC000052510005 519972291 /nfs/dbraw/zinc/97/22/91/519972291.db2.gz CMIHZVLUTVIJSX-KBPBESRZSA-N 1 3 264.413 3.400 10 0 CGAEHO CC[C@@H](C)C[N@H+](C)Cc1ccoc1CNC1CC1 ZINC000052454068 521971473 /nfs/dbraw/zinc/97/14/73/521971473.db2.gz RCBJTSRKOFSUJR-GFCCVEGCSA-N 1 3 250.386 3.010 10 0 CGAEHO CC[C@@H](C)C[N@@H+](C)Cc1ccoc1CNC1CC1 ZINC000052454068 521971484 /nfs/dbraw/zinc/97/14/84/521971484.db2.gz RCBJTSRKOFSUJR-GFCCVEGCSA-N 1 3 250.386 3.010 10 0 CGAEHO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCCN1 ZINC000062668340 519272380 /nfs/dbraw/zinc/27/23/80/519272380.db2.gz GETHGXNSYGEBIN-GOSISDBHSA-N 1 3 274.452 3.329 10 0 CGAEHO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCCN1 ZINC000062668340 519272384 /nfs/dbraw/zinc/27/23/84/519272384.db2.gz GETHGXNSYGEBIN-GOSISDBHSA-N 1 3 274.452 3.329 10 0 CGAEHO CC[C@@H](C)N(C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052444214 522062474 /nfs/dbraw/zinc/06/24/74/522062474.db2.gz YSJKIOUMECBWBF-CYBMUJFWSA-N 1 3 252.402 3.256 10 0 CGAEHO Cc1cc(CN2CCC[C@H]2C)oc1C[NH2+]C(C)(C)C ZINC000052376223 524689378 /nfs/dbraw/zinc/68/93/78/524689378.db2.gz ISAOAYISSNUCQE-CYBMUJFWSA-N 1 3 264.413 3.460 10 0 CGAEHO [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1csc2ccccc12 ZINC000054465521 527146744 /nfs/dbraw/zinc/14/67/44/527146744.db2.gz KOJPNFPVFVCYCF-AGUYFDCRSA-N 1 3 272.417 3.355 10 0 CGAEHO NCc1sc2cccc(F)c2c1C[NH+]1CCCC1 ZINC000052377415 527268223 /nfs/dbraw/zinc/26/82/23/527268223.db2.gz UVCMMDAVALKLOR-UHFFFAOYSA-N 1 3 264.369 3.095 10 0 CGAEHO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[C@@H]1CCCNC1 ZINC000414863868 380463678 /nfs/dbraw/zinc/46/36/78/380463678.db2.gz YJTBPQLMJJLOOC-BARDWOONSA-N 1 3 252.446 3.179 10 0 CGAEHO CN(Cc1ccccc1C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000231463469 542304730 /nfs/dbraw/zinc/30/47/30/542304730.db2.gz LYPYNDLGGXOTAD-INIZCTEOSA-N 1 3 258.409 3.138 10 0 CGAEHO NCC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000381724181 392914100 /nfs/dbraw/zinc/91/41/00/392914100.db2.gz RXRUJJMLHXKEHH-QWHCGFSZSA-N 1 3 260.372 3.015 10 0 CGAEHO NCC[C@H]1CCCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000381724181 392914106 /nfs/dbraw/zinc/91/41/06/392914106.db2.gz RXRUJJMLHXKEHH-QWHCGFSZSA-N 1 3 260.372 3.015 10 0 CGAEHO [NH3+]CC[C@H]1CCCCN1C[C@@H]1CCCCC1(F)F ZINC000381724181 392914110 /nfs/dbraw/zinc/91/41/10/392914110.db2.gz RXRUJJMLHXKEHH-QWHCGFSZSA-N 1 3 260.372 3.015 10 0 CGAEHO C[C@@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CC(C)(C)C1 ZINC000344330289 393042422 /nfs/dbraw/zinc/04/24/22/393042422.db2.gz OAXCOMQKVQGNFK-UKRRQHHQSA-N 1 3 250.430 3.053 10 0 CGAEHO C[C@H](CC1CCCCC1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000667030926 542838496 /nfs/dbraw/zinc/83/84/96/542838496.db2.gz FPERNNZGLUMERO-YCPHGPKFSA-N 1 3 252.446 3.323 10 0 CGAEHO CC(C)(C)[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000079356342 287055673 /nfs/dbraw/zinc/05/56/73/287055673.db2.gz VNFBWJOBVVNKKH-GOEBONIOSA-N 1 3 252.446 3.134 10 0 CGAEHO Cc1cc(C)cc(OCCCN2CCCC[C@H]2CC[NH3+])c1 ZINC000070149558 165059689 /nfs/dbraw/zinc/05/96/89/165059689.db2.gz YVNANDJTXPQNEB-KRWDZBQOSA-N 1 3 290.451 3.276 10 0 CGAEHO CN(C)Cc1ccccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000020128665 171015489 /nfs/dbraw/zinc/01/54/89/171015489.db2.gz CBYJURFHSJLYMG-HNNXBMFYSA-N 1 3 258.409 3.194 10 0 CGAEHO Cc1cccc(CNCc2ccccc2C[NH+](C)C)c1 ZINC000020128559 171015716 /nfs/dbraw/zinc/01/57/16/171015716.db2.gz SYQUAPQOMYWHBW-UHFFFAOYSA-N 1 3 268.404 3.346 10 0 CGAEHO C[C@@H]1CCCN(C[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)C1 ZINC000021501629 171305865 /nfs/dbraw/zinc/30/58/65/171305865.db2.gz RECBTJSNEOPBPS-IXRCJPEJSA-N 1 3 276.468 3.262 10 0 CGAEHO CCN(CC)C[C@@H](C[NH3+])c1c(C)c(C)cc(C)c1C ZINC000041355255 174533018 /nfs/dbraw/zinc/53/30/18/174533018.db2.gz IRCGAMZMPXRKIL-MRXNPFEDSA-N 1 3 262.441 3.304 10 0 CGAEHO Cc1cc(N2CC[C@H]([NH3+])C(C)(C)C2)c2ccccc2n1 ZINC000261721665 274710982 /nfs/dbraw/zinc/71/09/82/274710982.db2.gz KKCXZXOELKXRDS-INIZCTEOSA-N 1 3 269.392 3.107 10 0 CGAEHO Cc1cccc2c1ncc(C)c2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000185300082 281308539 /nfs/dbraw/zinc/30/85/39/281308539.db2.gz FQNCYZQBTWRVMP-OAHLLOKOSA-N 1 3 281.403 3.136 10 0 CGAEHO Cc1cccc2c1ncc(C)c2N1CC[N@H+]2CCC[C@@H]2C1 ZINC000185300082 281308540 /nfs/dbraw/zinc/30/85/40/281308540.db2.gz FQNCYZQBTWRVMP-OAHLLOKOSA-N 1 3 281.403 3.136 10 0 CGAEHO CCc1ccc([C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000385612694 336152844 /nfs/dbraw/zinc/15/28/44/336152844.db2.gz OAFGZXGIIIGOIG-TYNCELHUSA-N 1 3 266.454 3.288 10 0 CGAEHO CCc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)s1 ZINC000385612694 336152845 /nfs/dbraw/zinc/15/28/45/336152845.db2.gz OAFGZXGIIIGOIG-TYNCELHUSA-N 1 3 266.454 3.288 10 0 CGAEHO CCc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)s1 ZINC000385612694 336152846 /nfs/dbraw/zinc/15/28/46/336152846.db2.gz OAFGZXGIIIGOIG-TYNCELHUSA-N 1 3 266.454 3.288 10 0 CGAEHO C[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000386071669 336165803 /nfs/dbraw/zinc/16/58/03/336165803.db2.gz ZVDBIJDMLKOGMU-WUHRBBMRSA-N 1 3 278.362 3.228 10 0 CGAEHO CCCNC[C@@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000053011170 519922921 /nfs/dbraw/zinc/92/29/21/519922921.db2.gz RASNVGXHJGLKCA-HNNXBMFYSA-N 1 3 252.446 3.421 10 0 CGAEHO CCCNC[C@@H]1CC[N@H+](C2CCCCCCC2)C1 ZINC000053011170 519922929 /nfs/dbraw/zinc/92/29/29/519922929.db2.gz RASNVGXHJGLKCA-HNNXBMFYSA-N 1 3 252.446 3.421 10 0 CGAEHO CCNCc1ccoc1C[N@H+](C)[C@@H](C)CC(C)C ZINC000052571832 520010200 /nfs/dbraw/zinc/01/02/00/520010200.db2.gz LNUYJVBILKUZIM-ZDUSSCGKSA-N 1 3 252.402 3.256 10 0 CGAEHO CCNCc1ccoc1C[N@@H+](C)[C@@H](C)CC(C)C ZINC000052571832 520010207 /nfs/dbraw/zinc/01/02/07/520010207.db2.gz LNUYJVBILKUZIM-ZDUSSCGKSA-N 1 3 252.402 3.256 10 0 CGAEHO C[C@@H]1CCC[N@H+](Cc2occc2CNC2CC2)[C@@H]1C ZINC000052373274 524238324 /nfs/dbraw/zinc/23/83/24/524238324.db2.gz JZQUWBDMZHWLOQ-CHWSQXEVSA-N 1 3 262.397 3.152 10 0 CGAEHO C[C@@H]1CCC[N@@H+](Cc2occc2CNC2CC2)[C@@H]1C ZINC000052373274 524238335 /nfs/dbraw/zinc/23/83/35/524238335.db2.gz JZQUWBDMZHWLOQ-CHWSQXEVSA-N 1 3 262.397 3.152 10 0 CGAEHO Cc1oc(C[N@H+](C)CC2CCCCC2)cc1CN ZINC000052346748 526769977 /nfs/dbraw/zinc/76/99/77/526769977.db2.gz RHAPZEZZJHUZCE-UHFFFAOYSA-N 1 3 250.386 3.059 10 0 CGAEHO Cc1oc(C[N@@H+](C)CC2CCCCC2)cc1CN ZINC000052346748 526769984 /nfs/dbraw/zinc/76/99/84/526769984.db2.gz RHAPZEZZJHUZCE-UHFFFAOYSA-N 1 3 250.386 3.059 10 0 CGAEHO C[C@@H](C[NH2+]CC1CCC(C)CC1)CN1CCCC1 ZINC000089577073 138343335 /nfs/dbraw/zinc/34/33/35/138343335.db2.gz ANJQXMDXICOKJV-PCKAHOCUSA-N 1 3 252.446 3.134 10 0 CGAEHO Cc1ccc([C@@H](C)NC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000036959963 369043204 /nfs/dbraw/zinc/04/32/04/369043204.db2.gz RHJQSNWXBNCAMW-CQSZACIVSA-N 1 3 285.391 3.303 10 0 CGAEHO CCN1CC[C@H](C[NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000037644357 369094995 /nfs/dbraw/zinc/09/49/95/369094995.db2.gz OIJUTKHGSXNHKP-BZOOQXSSSA-N 1 3 276.399 3.003 10 0 CGAEHO C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[C@@H]1CCCNC1 ZINC000414863873 296165988 /nfs/dbraw/zinc/16/59/88/296165988.db2.gz YJTBPQLMJJLOOC-TUVASFSCSA-N 1 3 252.446 3.179 10 0 CGAEHO C[C@H](N[C@@H](C)C1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000036921811 541859776 /nfs/dbraw/zinc/85/97/76/541859776.db2.gz BDMIZKKWXQUAFO-RYUDHWBXSA-N 1 3 282.378 3.346 10 0 CGAEHO C[C@@H](N[C@@H](C)C1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000036921812 541860319 /nfs/dbraw/zinc/86/03/19/541860319.db2.gz BDMIZKKWXQUAFO-NWDGAFQWSA-N 1 3 282.378 3.346 10 0 CGAEHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000309814445 374200020 /nfs/dbraw/zinc/20/00/20/374200020.db2.gz XLILZAXXWNGGPK-RXABAKJHSA-N 1 3 284.447 3.285 10 0 CGAEHO CCN1CC[C@H](C[NH2+]C2CC(c3cccc(C)c3)C2)C1 ZINC000037644383 249002965 /nfs/dbraw/zinc/00/29/65/249002965.db2.gz PBIJIZOMTKTLJD-FAEJEUNOSA-N 1 3 272.436 3.172 10 0 CGAEHO C[C@@H]1C[C@H](CN2CCCC[C@@H]2c2nccs2)CC[NH2+]1 ZINC000414700707 380379820 /nfs/dbraw/zinc/37/98/20/380379820.db2.gz VBDSMVLEOSQMCF-MGPQQGTHSA-N 1 3 279.453 3.058 10 0 CGAEHO C[C@H](CC1CCCCC1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000667030923 542838717 /nfs/dbraw/zinc/83/87/17/542838717.db2.gz FPERNNZGLUMERO-FMKPAKJESA-N 1 3 252.446 3.323 10 0 CGAEHO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)c(C)c1 ZINC000678738529 543552377 /nfs/dbraw/zinc/55/23/77/543552377.db2.gz IKVXOTPNSXQADN-CVEARBPZSA-N 1 3 260.425 3.438 10 0 CGAEHO CC[NH+]1CCC([C@@H](C)N[C@@H](C)c2ccco2)CC1 ZINC000035738476 172392091 /nfs/dbraw/zinc/39/20/91/172392091.db2.gz RTJDSOXOAWTGLT-OLZOCXBDSA-N 1 3 250.386 3.051 10 0 CGAEHO CCN1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(F)c2)C1 ZINC000037221927 173042300 /nfs/dbraw/zinc/04/23/00/173042300.db2.gz IMOHJWKIRYKCRZ-HIFRSBDPSA-N 1 3 264.388 3.036 10 0 CGAEHO CC(C)C[N@H+](Cc1ccc(F)cc1CN)C(C)C ZINC000071263485 176096841 /nfs/dbraw/zinc/09/68/41/176096841.db2.gz RONINCWLKJPFAB-UHFFFAOYSA-N 1 3 252.377 3.151 10 0 CGAEHO CC(C)C[N@@H+](Cc1ccc(F)cc1CN)C(C)C ZINC000071263485 176096842 /nfs/dbraw/zinc/09/68/42/176096842.db2.gz RONINCWLKJPFAB-UHFFFAOYSA-N 1 3 252.377 3.151 10 0 CGAEHO CC[C@H]1CN(c2cc(C)nc3ccccc32)CC[C@@H]1[NH3+] ZINC000122976343 416505750 /nfs/dbraw/zinc/50/57/50/416505750.db2.gz HUUCXWYFJBZSIS-ZFWWWQNUSA-N 1 3 269.392 3.107 10 0 CGAEHO CCNCc1ccoc1C[N@@H+]1CCC[C@H](CC)C1 ZINC000052479678 520009840 /nfs/dbraw/zinc/00/98/40/520009840.db2.gz XYDPVUJFNUKKHI-ZDUSSCGKSA-N 1 3 250.386 3.011 10 0 CGAEHO CCNCc1ccoc1C[N@H+]1CCC[C@H](CC)C1 ZINC000052479678 520009851 /nfs/dbraw/zinc/00/98/51/520009851.db2.gz XYDPVUJFNUKKHI-ZDUSSCGKSA-N 1 3 250.386 3.011 10 0 CGAEHO CC[C@@H](C)N(C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052444046 522062500 /nfs/dbraw/zinc/06/25/00/522062500.db2.gz PMALZZIIYBFTNC-GFCCVEGCSA-N 1 3 252.402 3.398 10 0 CGAEHO CC(C)[NH2+]Cc1occc1CN1CCC(C)CC1 ZINC000052376988 519730119 /nfs/dbraw/zinc/73/01/19/519730119.db2.gz YJKGFVLOCLNTFV-UHFFFAOYSA-N 1 3 250.386 3.010 10 0 CGAEHO CC(C)C[NH2+]Cc1coc(CN2C[C@H]3CC[C@@H]2C3)c1 ZINC000052543875 519748524 /nfs/dbraw/zinc/74/85/24/519748524.db2.gz NKBNKEGYPTUSDV-DZGCQCFKSA-N 1 3 262.397 3.010 10 0 CGAEHO CCCNCc1cc(C[N@H+](CC)CCC)c(C)o1 ZINC000052448572 519944046 /nfs/dbraw/zinc/94/40/46/519944046.db2.gz AHJBOWLUIXANGL-UHFFFAOYSA-N 1 3 252.402 3.320 10 0 CGAEHO CCCNCc1cc(C[N@@H+](CC)CCC)c(C)o1 ZINC000052448572 519944058 /nfs/dbraw/zinc/94/40/58/519944058.db2.gz AHJBOWLUIXANGL-UHFFFAOYSA-N 1 3 252.402 3.320 10 0 CGAEHO CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCCCCC1 ZINC000054627444 521956067 /nfs/dbraw/zinc/95/60/67/521956067.db2.gz HWTMUFQUDBJCNK-VHRNVKJDSA-N 1 3 250.430 3.314 10 0 CGAEHO CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCCCCC1 ZINC000054627444 521956070 /nfs/dbraw/zinc/95/60/70/521956070.db2.gz HWTMUFQUDBJCNK-VHRNVKJDSA-N 1 3 250.430 3.314 10 0 CGAEHO CC[C@H](C)N(C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052444215 523923261 /nfs/dbraw/zinc/92/32/61/523923261.db2.gz YSJKIOUMECBWBF-ZDUSSCGKSA-N 1 3 252.402 3.256 10 0 CGAEHO CC[C@H](C)[N@H+](CC)Cc1occc1CNC(C)C ZINC000052450981 523935148 /nfs/dbraw/zinc/93/51/48/523935148.db2.gz CUMFUUYQURGEMG-ZDUSSCGKSA-N 1 3 252.402 3.398 10 0 CGAEHO CC[C@H](C)[N@@H+](CC)Cc1occc1CNC(C)C ZINC000052450981 523935152 /nfs/dbraw/zinc/93/51/52/523935152.db2.gz CUMFUUYQURGEMG-ZDUSSCGKSA-N 1 3 252.402 3.398 10 0 CGAEHO C[C@@H](CCC[NH2+]C(C)(C)C)N(C)Cc1ccncc1 ZINC000052480988 524457443 /nfs/dbraw/zinc/45/74/43/524457443.db2.gz XAIXYURIIYOOHZ-AWEZNQCLSA-N 1 3 263.429 3.070 10 0 CGAEHO C[C@@H]1CC[NH+](CCC2CCCCC2)CC[C@@H](C)N1 ZINC000049666926 524502856 /nfs/dbraw/zinc/50/28/56/524502856.db2.gz OWFIEMWWMFZLDC-HUUCEWRRSA-N 1 3 252.446 3.419 10 0 CGAEHO Cc1ccccc1[C@H](C)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602852 525407525 /nfs/dbraw/zinc/40/75/25/525407525.db2.gz CJXZKMYMKWJMAV-HNSVSWJLSA-N 1 3 258.409 3.400 10 0 CGAEHO Cc1ccccc1[C@H](C)[N@H+]1[C@@H]2CCC[C@H]1CC(N)C2 ZINC000054602852 525407527 /nfs/dbraw/zinc/40/75/27/525407527.db2.gz CJXZKMYMKWJMAV-HNSVSWJLSA-N 1 3 258.409 3.400 10 0 CGAEHO Cc1ccccc1[C@H](C)[N@@H+]1[C@@H]2CCC[C@H]1CC(N)C2 ZINC000054602852 525407529 /nfs/dbraw/zinc/40/75/29/525407529.db2.gz CJXZKMYMKWJMAV-HNSVSWJLSA-N 1 3 258.409 3.400 10 0 CGAEHO