smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]12C[NH2+]C[C@@]1(C)CN(CC[C@H]1CCC[NH2+]C1)C2 ZINC000629592372 363102663 /nfs/dbraw/zinc/10/26/63/363102663.db2.gz AYKWSRWKEAVOID-KFWWJZLASA-N 2 3 251.418 1.308 10 0 CDAEHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(C2)CCCNC3)CC[NH2+]1 ZINC000576040655 317062416 /nfs/dbraw/zinc/06/24/16/317062416.db2.gz NFMHWDWYENCINF-RBSFLKMASA-N 2 3 251.418 1.450 10 0 CDAEHP C[C@@H]1C[C@H](C[N@H+]2CC[C@]3(C2)CCCNC3)CC[NH2+]1 ZINC000576040655 317062419 /nfs/dbraw/zinc/06/24/19/317062419.db2.gz NFMHWDWYENCINF-RBSFLKMASA-N 2 3 251.418 1.450 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000925690866 617694999 /nfs/dbraw/zinc/69/49/99/617694999.db2.gz HVXIYMXUHHKRLF-CRWXNKLISA-N 2 3 251.418 1.352 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000925783109 617700429 /nfs/dbraw/zinc/70/04/29/617700429.db2.gz CNISAVRANSJTNI-XLWJZTARSA-N 2 3 251.418 1.304 10 0 CDAEHP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903784441 626093602 /nfs/dbraw/zinc/09/36/02/626093602.db2.gz OUTDMSSPJALQTQ-GVDBMIGSSA-N 2 3 293.455 1.221 10 0 CDAEHP FC1(F)CCNC[C@H]1C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903957659 626158200 /nfs/dbraw/zinc/15/82/00/626158200.db2.gz SEQDVTPKKXUFEF-AWEZNQCLSA-N 2 3 295.377 1.667 10 0 CDAEHP CC[NH+]1CCN(CCCN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925546838 679502431 /nfs/dbraw/zinc/50/24/31/679502431.db2.gz QDCXUDDGNNWXOM-MRXNPFEDSA-N 2 3 294.487 1.278 10 0 CDAEHP CN(C)CCOc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650712513 398154845 /nfs/dbraw/zinc/15/48/45/398154845.db2.gz HJEPYPJGJMOBJZ-UHFFFAOYSA-N 2 3 291.439 1.846 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000422999568 359708692 /nfs/dbraw/zinc/70/86/92/359708692.db2.gz SRKDFOMWKAGFEC-JKSUJKDBSA-N 2 3 285.476 1.698 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000422999568 359708695 /nfs/dbraw/zinc/70/86/95/359708695.db2.gz SRKDFOMWKAGFEC-JKSUJKDBSA-N 2 3 285.476 1.698 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000422999568 359708700 /nfs/dbraw/zinc/70/87/00/359708700.db2.gz SRKDFOMWKAGFEC-JKSUJKDBSA-N 2 3 285.476 1.698 10 0 CDAEHP CC(C)[NH+]1CCC(N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000658110518 413211061 /nfs/dbraw/zinc/21/10/61/413211061.db2.gz YCYBQTKFRHOGSU-INIZCTEOSA-N 2 3 298.519 1.721 10 0 CDAEHP CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445186 625998657 /nfs/dbraw/zinc/99/86/57/625998657.db2.gz HQJCZHWIOINCHL-ILXRZTDVSA-N 2 3 253.434 1.778 10 0 CDAEHP CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445186 625998660 /nfs/dbraw/zinc/99/86/60/625998660.db2.gz HQJCZHWIOINCHL-ILXRZTDVSA-N 2 3 253.434 1.778 10 0 CDAEHP C1=C(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC[NH2+]C1 ZINC000925699675 682486174 /nfs/dbraw/zinc/48/61/74/682486174.db2.gz PJHYMEONDLXNJB-HOTGVXAUSA-N 2 3 263.429 1.664 10 0 CDAEHP C1=C(C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC[NH2+]C1 ZINC000925699675 682486177 /nfs/dbraw/zinc/48/61/77/682486177.db2.gz PJHYMEONDLXNJB-HOTGVXAUSA-N 2 3 263.429 1.664 10 0 CDAEHP C[C@@H](O)C[NH+]1CCC(CN(C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262114185 296181920 /nfs/dbraw/zinc/18/19/20/296181920.db2.gz WVIJWHONRATTNQ-GDBMZVCRSA-N 2 3 283.460 1.011 10 0 CDAEHP CC[NH2+][C@@H]1CCN(CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000044518803 175191518 /nfs/dbraw/zinc/19/15/18/175191518.db2.gz PRZZYJWJFXVUEW-DZGCQCFKSA-N 2 3 253.434 1.648 10 0 CDAEHP C[NH+](C)CCN1CCN(CCCCC[NH2+]C(C)(C)C)CC1 ZINC000061654969 521764874 /nfs/dbraw/zinc/76/48/74/521764874.db2.gz OJSKTEONULXOHR-UHFFFAOYSA-N 2 3 298.519 1.724 10 0 CDAEHP COC[C@@H](CCC[NH3+])NCc1ccc(C[NH3+])cc1F ZINC000650755887 398179225 /nfs/dbraw/zinc/17/92/25/398179225.db2.gz OZZBYKCITLWAIW-CYBMUJFWSA-N 2 3 269.364 1.128 10 0 CDAEHP CN1CC[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]2CCC[C@H]21 ZINC000353669354 289170331 /nfs/dbraw/zinc/17/03/31/289170331.db2.gz IXGGQFFVYGDFLJ-RBSFLKMASA-N 2 3 269.433 1.027 10 0 CDAEHP CCC[NH2+][C@@H](C)CCCCN1CCN(CC[NH+](C)C)CC1 ZINC000061643815 519984780 /nfs/dbraw/zinc/98/47/80/519984780.db2.gz LTZFLCQRKYHUTA-KRWDZBQOSA-N 2 3 298.519 1.724 10 0 CDAEHP CC[C@H](C)N1CCN(C2(C[NH3+])CC[NH+](CC)CC2)CC1 ZINC000055064704 523952933 /nfs/dbraw/zinc/95/29/33/523952933.db2.gz HZPRETVRDDIUKV-HNNXBMFYSA-N 2 3 282.476 1.216 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)CN1CCCCC1 ZINC000234790680 536850687 /nfs/dbraw/zinc/85/06/87/536850687.db2.gz UHTSQCQIPGIXBA-GJZGRUSLSA-N 2 3 271.449 1.452 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000234790680 536850690 /nfs/dbraw/zinc/85/06/90/536850690.db2.gz UHTSQCQIPGIXBA-GJZGRUSLSA-N 2 3 271.449 1.452 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000925713744 617819450 /nfs/dbraw/zinc/81/94/50/617819450.db2.gz YQQVJFOLOPVETH-RFGFWPKPSA-N 2 3 263.429 1.495 10 0 CDAEHP CC1(C)[C@@H](N[C@H]2CC23CC[NH2+]CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925713744 617819453 /nfs/dbraw/zinc/81/94/53/617819453.db2.gz YQQVJFOLOPVETH-RFGFWPKPSA-N 2 3 263.429 1.495 10 0 CDAEHP C[NH+](C)CCC[C@H]1CN(CCCCCC[NH3+])CCO1 ZINC000852762653 693202235 /nfs/dbraw/zinc/20/22/35/693202235.db2.gz SHCQESKKRWEACF-HNNXBMFYSA-N 2 3 271.449 1.548 10 0 CDAEHP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925726926 723641158 /nfs/dbraw/zinc/64/11/58/723641158.db2.gz MBWTWJNIEQSLQX-ATGSNQNLSA-N 2 3 251.418 1.482 10 0 CDAEHP NC[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925882575 1166748828 /nfs/dbraw/zinc/74/88/28/1166748828.db2.gz QYPMCYJKVSNLMG-SIXLDLHFSA-N 2 3 273.424 1.763 10 0 CDAEHP C[C@@H](N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)C1C[NH2+]C1 ZINC000925882309 1166748843 /nfs/dbraw/zinc/74/88/43/1166748843.db2.gz NZLKJWIMTBBWAD-WQVCFCJDSA-N 2 3 259.397 1.243 10 0 CDAEHP COCCN(CCC[NH2+]C1CC1)CC1CC[NH+](C)CC1 ZINC000923409191 923815155 /nfs/dbraw/zinc/81/51/55/923815155.db2.gz BIMBECUZWIUHEB-UHFFFAOYSA-N 2 3 283.460 1.419 10 0 CDAEHP COCC[N@H+](CCCNC1CC1)CC1CC[NH+](C)CC1 ZINC000923409191 923815158 /nfs/dbraw/zinc/81/51/58/923815158.db2.gz BIMBECUZWIUHEB-UHFFFAOYSA-N 2 3 283.460 1.419 10 0 CDAEHP COCC[N@@H+](CCCNC1CC1)CC1CC[NH+](C)CC1 ZINC000923409191 923815168 /nfs/dbraw/zinc/81/51/68/923815168.db2.gz BIMBECUZWIUHEB-UHFFFAOYSA-N 2 3 283.460 1.419 10 0 CDAEHP C[NH+]1CCC(CC[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC001332880627 957911370 /nfs/dbraw/zinc/91/13/70/957911370.db2.gz YJVUQRMYWPNPQO-CQSZACIVSA-N 2 3 251.418 1.593 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000665299142 414043041 /nfs/dbraw/zinc/04/30/41/414043041.db2.gz HKCNXEHOPZYEQH-HOTGVXAUSA-N 2 3 283.460 1.452 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299142 414043051 /nfs/dbraw/zinc/04/30/51/414043051.db2.gz HKCNXEHOPZYEQH-HOTGVXAUSA-N 2 3 283.460 1.452 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299142 414043060 /nfs/dbraw/zinc/04/30/60/414043060.db2.gz HKCNXEHOPZYEQH-HOTGVXAUSA-N 2 3 283.460 1.452 10 0 CDAEHP CC[C@H](C)N1CCN(C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000055064805 523952491 /nfs/dbraw/zinc/95/24/91/523952491.db2.gz LCVMKAKTJVIPEY-PMRDEQMMSA-N 2 3 294.487 1.357 10 0 CDAEHP CC[C@H](C)N1CCN(C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000055064805 523952498 /nfs/dbraw/zinc/95/24/98/523952498.db2.gz LCVMKAKTJVIPEY-PMRDEQMMSA-N 2 3 294.487 1.357 10 0 CDAEHP C[C@H](CCC[NH2+]C1CC1)N1CCC([NH+](C)C)CC1 ZINC000052477741 524143499 /nfs/dbraw/zinc/14/34/99/524143499.db2.gz MNVZSXJQHCKMHL-CYBMUJFWSA-N 2 3 253.434 1.933 10 0 CDAEHP C[C@H](CCCC[NH3+])N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925799324 617730407 /nfs/dbraw/zinc/73/04/07/617730407.db2.gz SNVGLIDMFSQXHN-KGLIPLIRSA-N 2 3 269.433 1.252 10 0 CDAEHP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCCN1CCCCC1)CC2 ZINC000923452318 695981864 /nfs/dbraw/zinc/98/18/64/695981864.db2.gz PXLQVHCKFUNDCH-INIZCTEOSA-N 2 3 295.471 1.692 10 0 CDAEHP CCN1CCN(CCC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925546870 724780952 /nfs/dbraw/zinc/78/09/52/724780952.db2.gz QOVUGCJISHSIKU-JKSUJKDBSA-N 2 3 296.503 1.510 10 0 CDAEHP COC[C@@H](CCC[NH3+])NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423525344 359843064 /nfs/dbraw/zinc/84/30/64/359843064.db2.gz KKEQJGAWLURRIE-OBYDGYHJSA-N 2 3 295.471 1.484 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423525344 359843068 /nfs/dbraw/zinc/84/30/68/359843068.db2.gz KKEQJGAWLURRIE-OBYDGYHJSA-N 2 3 295.471 1.484 10 0 CDAEHP C[C@H](C[C@H](C)[NH3+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000422792689 245262720 /nfs/dbraw/zinc/26/27/20/245262720.db2.gz RKSRMAQPTFFXPC-JKSUJKDBSA-N 2 3 296.503 1.652 10 0 CDAEHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199779 413097194 /nfs/dbraw/zinc/09/71/94/413097194.db2.gz CZHCAAXAIBDGDV-KYOSRNDESA-N 2 3 276.428 1.840 10 0 CDAEHP Cc1cc(N[C@@H](C)C[N@H+](C)CCCN(C)C)cc[nH+]1 ZINC000664194091 413138309 /nfs/dbraw/zinc/13/83/09/413138309.db2.gz AGBNRNUXUDWOKO-AWEZNQCLSA-N 2 3 264.417 1.496 10 0 CDAEHP Cc1cc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc[nH+]1 ZINC000664194091 413138313 /nfs/dbraw/zinc/13/83/13/413138313.db2.gz AGBNRNUXUDWOKO-AWEZNQCLSA-N 2 3 264.417 1.496 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000903458634 625994346 /nfs/dbraw/zinc/99/43/46/625994346.db2.gz FXZMZUDGHGGSHJ-BVUBDWEXSA-N 2 3 281.444 1.060 10 0 CDAEHP CCO[C@@H](CC[NH+](C)C)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623442999 346757833 /nfs/dbraw/zinc/75/78/33/346757833.db2.gz LEEWQYJJRXLBMT-GJZGRUSLSA-N 2 3 285.476 1.806 10 0 CDAEHP CCO[C@@H](CC[NH+](C)C)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623442999 346757837 /nfs/dbraw/zinc/75/78/37/346757837.db2.gz LEEWQYJJRXLBMT-GJZGRUSLSA-N 2 3 285.476 1.806 10 0 CDAEHP CN1CCC(C[NH3+])(N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000040693791 174377964 /nfs/dbraw/zinc/37/79/64/174377964.db2.gz VJAHDLLDALIYDX-UHFFFAOYSA-N 2 3 294.487 1.360 10 0 CDAEHP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000903444255 625997831 /nfs/dbraw/zinc/99/78/31/625997831.db2.gz RDBVCHKDCDRWMY-RRFJBIMHSA-N 2 3 251.418 1.532 10 0 CDAEHP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000903444255 625997834 /nfs/dbraw/zinc/99/78/34/625997834.db2.gz RDBVCHKDCDRWMY-RRFJBIMHSA-N 2 3 251.418 1.532 10 0 CDAEHP [NH3+]C[C@@H]1CN(CC2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000872150128 729863237 /nfs/dbraw/zinc/86/32/37/729863237.db2.gz YNWGSCWYSQTSPD-MNOVXSKESA-N 2 3 265.323 1.055 10 0 CDAEHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925819686 932941830 /nfs/dbraw/zinc/94/18/30/932941830.db2.gz YFSCRNZYHKKZDK-CABCVRRESA-N 2 3 290.455 1.307 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)CN1CCCCC1 ZINC000234726763 367620250 /nfs/dbraw/zinc/62/02/50/367620250.db2.gz UHTSQCQIPGIXBA-LSDHHAIUSA-N 2 3 271.449 1.452 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000234726763 367620253 /nfs/dbraw/zinc/62/02/53/367620253.db2.gz UHTSQCQIPGIXBA-LSDHHAIUSA-N 2 3 271.449 1.452 10 0 CDAEHP CC(C)C[C@H](N)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333205102 205115501 /nfs/dbraw/zinc/11/55/01/205115501.db2.gz YTZNEGKBQKOORO-ZNMIVQPWSA-N 2 3 281.444 1.060 10 0 CDAEHP CC(C)C[C@H](N)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333205102 205115503 /nfs/dbraw/zinc/11/55/03/205115503.db2.gz YTZNEGKBQKOORO-ZNMIVQPWSA-N 2 3 281.444 1.060 10 0 CDAEHP CC[NH+]1CCC(C[NH3+])(N2CCN(CC(C)C)CC2)CC1 ZINC000055078453 521549209 /nfs/dbraw/zinc/54/92/09/521549209.db2.gz FPPYDRGZFIVOND-UHFFFAOYSA-N 2 3 282.476 1.073 10 0 CDAEHP CC1([NH+]2CCC2)CCC(N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925860644 731721512 /nfs/dbraw/zinc/72/15/12/731721512.db2.gz IZHWUWAKRVDHFK-FWHBKBRVSA-N 2 3 289.467 1.979 10 0 CDAEHP C(C1CC[NH2+]CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479722 390966848 /nfs/dbraw/zinc/96/68/48/390966848.db2.gz QZEYLWLQSLSBHY-HUUCEWRRSA-N 2 3 251.418 1.450 10 0 CDAEHP C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647903036 391199169 /nfs/dbraw/zinc/19/91/69/391199169.db2.gz FEWDQXMJRGNBSS-XHSDSOJGSA-N 2 3 265.445 1.840 10 0 CDAEHP C[C@@H](CCC[NH2+]C1CC1)N1CCC([NH+](C)C)CC1 ZINC000052477739 524458686 /nfs/dbraw/zinc/45/86/86/524458686.db2.gz MNVZSXJQHCKMHL-ZDUSSCGKSA-N 2 3 253.434 1.933 10 0 CDAEHP C[NH+](C)CCC[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000662327442 423962304 /nfs/dbraw/zinc/96/23/04/423962304.db2.gz OLQOFUCMDWDZRW-LSDHHAIUSA-N 2 3 269.433 1.029 10 0 CDAEHP CC(C)C[C@H]([NH3+])CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424368927 279178988 /nfs/dbraw/zinc/17/89/88/279178988.db2.gz ATYYZZATKVYAHQ-KGLIPLIRSA-N 2 3 253.434 1.824 10 0 CDAEHP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCCNC3)CC[NH2+]1 ZINC000576040654 317062680 /nfs/dbraw/zinc/06/26/80/317062680.db2.gz NFMHWDWYENCINF-QLFBSQMISA-N 2 3 251.418 1.450 10 0 CDAEHP C[C@@H]1C[C@@H](C[N@H+]2CC[C@]3(C2)CCCNC3)CC[NH2+]1 ZINC000576040654 317062682 /nfs/dbraw/zinc/06/26/82/317062682.db2.gz NFMHWDWYENCINF-QLFBSQMISA-N 2 3 251.418 1.450 10 0 CDAEHP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1c1ccncc1 ZINC000903482954 626006874 /nfs/dbraw/zinc/00/68/74/626006874.db2.gz ZZKFQZQUPFBVAX-KFWWJZLASA-N 2 3 274.412 1.720 10 0 CDAEHP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1c1ccncc1 ZINC000903482954 626006875 /nfs/dbraw/zinc/00/68/75/626006875.db2.gz ZZKFQZQUPFBVAX-KFWWJZLASA-N 2 3 274.412 1.720 10 0 CDAEHP C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[C@H]1CC[NH2+]C1 ZINC000647903509 391200341 /nfs/dbraw/zinc/20/03/41/391200341.db2.gz KXTFIEJOTFOLHJ-ILXRZTDVSA-N 2 3 251.418 1.450 10 0 CDAEHP C[NH+](C)CCC[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000662232153 414578194 /nfs/dbraw/zinc/57/81/94/414578194.db2.gz WMQYOSXVHAOVMR-HNNXBMFYSA-N 2 3 269.433 1.029 10 0 CDAEHP CC(C)C[NH2+]CCC[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654962 519743622 /nfs/dbraw/zinc/74/36/22/519743622.db2.gz ZTFIPEQMTIXTGJ-QGZVFWFLSA-N 2 3 298.519 1.580 10 0 CDAEHP C[C@@H](CC[NH2+]C1CC1)N1CCC(C[NH+](C)C)CC1 ZINC000052515498 524499681 /nfs/dbraw/zinc/49/96/81/524499681.db2.gz FXPRDSUCMVASKO-ZDUSSCGKSA-N 2 3 253.434 1.791 10 0 CDAEHP C[C@@H](CCNC1CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515498 524499689 /nfs/dbraw/zinc/49/96/89/524499689.db2.gz FXPRDSUCMVASKO-ZDUSSCGKSA-N 2 3 253.434 1.791 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000422741820 536850577 /nfs/dbraw/zinc/85/05/77/536850577.db2.gz PDARSBQNGMIMBA-CABCVRRESA-N 2 3 271.449 1.450 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000422741820 536850581 /nfs/dbraw/zinc/85/05/81/536850581.db2.gz PDARSBQNGMIMBA-CABCVRRESA-N 2 3 271.449 1.450 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000422741820 536850587 /nfs/dbraw/zinc/85/05/87/536850587.db2.gz PDARSBQNGMIMBA-CABCVRRESA-N 2 3 271.449 1.450 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000903453729 626001450 /nfs/dbraw/zinc/00/14/50/626001450.db2.gz JZDBPVWNUXKVGS-SNPRPXQTSA-N 2 3 251.418 1.306 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cc2c(s1)CCNC2 ZINC000903979159 626170325 /nfs/dbraw/zinc/17/03/25/626170325.db2.gz XECODJWBMYZOHM-VXGBXAGGSA-N 2 3 279.453 1.729 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000903966782 626172231 /nfs/dbraw/zinc/17/22/31/626172231.db2.gz CADHPYMJLCKFFG-XLNGHYISSA-N 2 3 273.424 1.925 10 0 CDAEHP COCCN(C)CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925541073 741205300 /nfs/dbraw/zinc/20/53/00/741205300.db2.gz AEUXGYDYNHZPFQ-SJORKVTESA-N 2 3 297.487 1.713 10 0 CDAEHP C(CCN[C@@H]1CC[NH2+]C12CCCC2)CCN1CC[NH2+]CC1 ZINC000925842903 741223274 /nfs/dbraw/zinc/22/32/74/741223274.db2.gz OKBFAMUQFXVHGM-MRXNPFEDSA-N 2 3 294.487 1.326 10 0 CDAEHP [NH3+]CCCOCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000629536089 362949866 /nfs/dbraw/zinc/94/98/66/362949866.db2.gz DZJCZSYDFYFRPU-RRFJBIMHSA-N 2 3 269.433 1.252 10 0 CDAEHP C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC000647902768 391199415 /nfs/dbraw/zinc/19/94/15/391199415.db2.gz BZAFXYOVHLYYKG-JKSUJKDBSA-N 2 3 265.445 1.840 10 0 CDAEHP CN(C)C1CC[NH+](CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050952742 524039701 /nfs/dbraw/zinc/03/97/01/524039701.db2.gz FZGKXMWXWOALCR-CQSZACIVSA-N 2 3 253.434 1.935 10 0 CDAEHP C[C@H](CCC[NH2+]C(C)(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654961 524142624 /nfs/dbraw/zinc/14/26/24/524142624.db2.gz ROIWLUUIHAROGN-MRXNPFEDSA-N 2 3 298.519 1.722 10 0 CDAEHP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000925839739 748831984 /nfs/dbraw/zinc/83/19/84/748831984.db2.gz DAJQNYNJHFVCHH-JKSUJKDBSA-N 2 3 282.476 1.182 10 0 CDAEHP C[NH2+]CCOCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000629531772 362163026 /nfs/dbraw/zinc/16/30/26/362163026.db2.gz XQKIPLVDNAVEGD-SOUVJXGZSA-N 2 3 269.433 1.123 10 0 CDAEHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000655804915 414197179 /nfs/dbraw/zinc/19/71/79/414197179.db2.gz FXGIHBDHYRGCAX-ZQDZILKHSA-N 2 3 251.418 1.543 10 0 CDAEHP CN(Cc1ccnc(C(N)=[NH2+])c1)CC1CC[NH+](C)CC1 ZINC000068761996 523451069 /nfs/dbraw/zinc/45/10/69/523451069.db2.gz CSXFLQNFMYIERB-UHFFFAOYSA-N 2 3 275.400 1.139 10 0 CDAEHP CC1(C)[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)[C@@H]2CCCN[C@@H]21 ZINC000925708686 617799543 /nfs/dbraw/zinc/79/95/43/617799543.db2.gz SFCJFDQCAYCHLN-NHOPFSRNSA-N 2 3 277.456 1.741 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000903461073 625996061 /nfs/dbraw/zinc/99/60/61/625996061.db2.gz OJZGVTURDIQHOI-OLMNGRFOSA-N 2 3 281.444 1.060 10 0 CDAEHP C(CNC1CC1)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358873 751379434 /nfs/dbraw/zinc/37/94/34/751379434.db2.gz MBDJFNLQHIXBRX-GJZGRUSLSA-N 2 3 265.445 1.840 10 0 CDAEHP C(CNC1CC1)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358873 751379446 /nfs/dbraw/zinc/37/94/46/751379446.db2.gz MBDJFNLQHIXBRX-GJZGRUSLSA-N 2 3 265.445 1.840 10 0 CDAEHP C(C[NH2+]C1CC1)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358873 751379455 /nfs/dbraw/zinc/37/94/55/751379455.db2.gz MBDJFNLQHIXBRX-GJZGRUSLSA-N 2 3 265.445 1.840 10 0 CDAEHP CN1CCC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925557561 749711557 /nfs/dbraw/zinc/71/15/57/749711557.db2.gz PKUCWLAGWQASGB-MGPQQGTHSA-N 2 3 253.434 1.824 10 0 CDAEHP C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@H]1CCNC12CCC2 ZINC000923398656 752740634 /nfs/dbraw/zinc/74/06/34/752740634.db2.gz LBVWUXCRMOCQJT-DKUMPPAJSA-N 2 3 263.429 1.781 10 0 CDAEHP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000422744484 359657488 /nfs/dbraw/zinc/65/74/88/359657488.db2.gz SZSYJJALABIONI-GJZGRUSLSA-N 2 3 253.434 1.825 10 0 CDAEHP CN1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@H]2CCC[C@@H]21 ZINC000643522269 361014980 /nfs/dbraw/zinc/01/49/80/361014980.db2.gz KSMVUWHACJKEBI-KBXIAJHMSA-N 2 3 251.418 1.591 10 0 CDAEHP CC(C)C[C@H](N)C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415053729 391738346 /nfs/dbraw/zinc/73/83/46/391738346.db2.gz MSKHJCQCIYMABE-FHERZECASA-N 2 3 282.476 1.166 10 0 CDAEHP CC(C)C[C@H](N)C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415053729 391738347 /nfs/dbraw/zinc/73/83/47/391738347.db2.gz MSKHJCQCIYMABE-FHERZECASA-N 2 3 282.476 1.166 10 0 CDAEHP COC[C@H](CCC[NH3+])NCCC[NH+]1CCC(C)CC1 ZINC000234782833 140231346 /nfs/dbraw/zinc/23/13/46/140231346.db2.gz XFBITVPKZQOHOW-HNNXBMFYSA-N 2 3 271.449 1.452 10 0 CDAEHP CC(C)[NH2+]C[C@@H](C)CN1CCC(C[NH+](C)C)CC1 ZINC000052515256 519722789 /nfs/dbraw/zinc/72/27/89/519722789.db2.gz SMTIZYSJKRFVQR-CQSZACIVSA-N 2 3 255.450 1.894 10 0 CDAEHP C(C[NH2+]C1CC1)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000923363115 618322564 /nfs/dbraw/zinc/32/25/64/618322564.db2.gz UILYMBLEQHYQLC-UONOGXRCSA-N 2 3 251.418 1.450 10 0 CDAEHP Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656199778 413096843 /nfs/dbraw/zinc/09/68/43/413096843.db2.gz CZHCAAXAIBDGDV-CORIIIEPSA-N 2 3 276.428 1.840 10 0 CDAEHP C[NH+](C)CCC[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000662327418 423963468 /nfs/dbraw/zinc/96/34/68/423963468.db2.gz OLQOFUCMDWDZRW-HUUCEWRRSA-N 2 3 269.433 1.029 10 0 CDAEHP CC(C)C[C@@H](N)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249815 271183901 /nfs/dbraw/zinc/18/39/01/271183901.db2.gz YZQNRTRDXJNHFX-CVEARBPZSA-N 2 3 283.460 1.450 10 0 CDAEHP CN1CCCC[C@@H]1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000052206126 523764766 /nfs/dbraw/zinc/76/47/66/523764766.db2.gz ULMJAPGNTAMWRL-OAHLLOKOSA-N 2 3 253.434 1.792 10 0 CDAEHP CN(C)C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000050952738 524039592 /nfs/dbraw/zinc/03/95/92/524039592.db2.gz NHZLDCIORZMYIN-UHFFFAOYSA-N 2 3 253.434 1.792 10 0 CDAEHP [NH3+]C[C@H]1CN(CC2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000872150131 1165385692 /nfs/dbraw/zinc/38/56/92/1165385692.db2.gz YNWGSCWYSQTSPD-QWRGUYRKSA-N 2 3 265.323 1.055 10 0 CDAEHP CC1(C)[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CCCN[C@@H]21 ZINC000925726226 932932777 /nfs/dbraw/zinc/93/27/77/932932777.db2.gz GUSYZEUVXZNEQW-GTDBDLECSA-N 2 3 277.456 1.883 10 0 CDAEHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650748194 398175079 /nfs/dbraw/zinc/17/50/79/398175079.db2.gz PQKVCEUVJHFLGB-NSHDSACASA-N 2 3 262.401 1.628 10 0 CDAEHP C[NH2+]Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000650755359 398180135 /nfs/dbraw/zinc/18/01/35/398180135.db2.gz CPBISOBXNBKGRU-VBNZEHGJSA-N 2 3 277.412 1.248 10 0 CDAEHP CCO[C@H](CC[NH+](C)C)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623443001 346757598 /nfs/dbraw/zinc/75/75/98/346757598.db2.gz LEEWQYJJRXLBMT-LSDHHAIUSA-N 2 3 285.476 1.806 10 0 CDAEHP CCO[C@H](CC[NH+](C)C)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623443001 346757600 /nfs/dbraw/zinc/75/76/00/346757600.db2.gz LEEWQYJJRXLBMT-LSDHHAIUSA-N 2 3 285.476 1.806 10 0 CDAEHP CC(C)C[C@H](N)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415122068 279179054 /nfs/dbraw/zinc/17/90/54/279179054.db2.gz JKUFOTMCVUJGFG-HRCADAONSA-N 2 3 283.460 1.578 10 0 CDAEHP COC[C@@H](CCC[NH3+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422878433 536594739 /nfs/dbraw/zinc/59/47/39/536594739.db2.gz JDKQZLAFVOTJLE-OWCLPIDISA-N 2 3 285.476 1.698 10 0 CDAEHP COC[C@@H](CCC[NH3+])NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422878433 536594746 /nfs/dbraw/zinc/59/47/46/536594746.db2.gz JDKQZLAFVOTJLE-OWCLPIDISA-N 2 3 285.476 1.698 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000422878433 536594751 /nfs/dbraw/zinc/59/47/51/536594751.db2.gz JDKQZLAFVOTJLE-OWCLPIDISA-N 2 3 285.476 1.698 10 0 CDAEHP C[C@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CCN1C ZINC000925840404 617871177 /nfs/dbraw/zinc/87/11/77/617871177.db2.gz AAOYFNXEMXMMGR-BYNSBNAKSA-N 2 3 251.418 1.591 10 0 CDAEHP CN(CCCO)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903892352 626133524 /nfs/dbraw/zinc/13/35/24/626133524.db2.gz HSFTZLRGKQNYGI-MQVJKMGUSA-N 2 3 295.471 1.296 10 0 CDAEHP C[NH+]1CCC(CC[NH2+][C@H]2CCNC23CCC3)CC1 ZINC001332880625 957912305 /nfs/dbraw/zinc/91/23/05/957912305.db2.gz YJVUQRMYWPNPQO-AWEZNQCLSA-N 2 3 251.418 1.593 10 0 CDAEHP CC(C)C[C@H](N)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650724983 398163803 /nfs/dbraw/zinc/16/38/03/398163803.db2.gz QRXZTSLADRBBKM-QXSJWSMHSA-N 2 3 283.460 1.721 10 0 CDAEHP CC(C)C[C@H](N)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650724983 398163804 /nfs/dbraw/zinc/16/38/04/398163804.db2.gz QRXZTSLADRBBKM-QXSJWSMHSA-N 2 3 283.460 1.721 10 0 CDAEHP C[NH+](C)CCC[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000662232154 414577345 /nfs/dbraw/zinc/57/73/45/414577345.db2.gz WMQYOSXVHAOVMR-OAHLLOKOSA-N 2 3 269.433 1.029 10 0 CDAEHP C[C@@H](CCCC[NH3+])N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925799326 617730540 /nfs/dbraw/zinc/73/05/40/617730540.db2.gz SNVGLIDMFSQXHN-UONOGXRCSA-N 2 3 269.433 1.252 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000925697390 617734550 /nfs/dbraw/zinc/73/45/50/617734550.db2.gz FKQMUWSJIBXNRR-RDBSUJKOSA-N 2 3 265.445 1.742 10 0 CDAEHP [NH3+]C1CCN(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000925815841 782330866 /nfs/dbraw/zinc/33/08/66/782330866.db2.gz AONREFOITLYSCE-YESZJQIVSA-N 2 3 294.487 1.310 10 0 CDAEHP CCO[C@H](CC[NH+](C)C)CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925540429 782647836 /nfs/dbraw/zinc/64/78/36/782647836.db2.gz GJFDLSYOOIJBQW-MCIONIFRSA-N 2 3 269.433 1.203 10 0 CDAEHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925540429 782647855 /nfs/dbraw/zinc/64/78/55/782647855.db2.gz GJFDLSYOOIJBQW-MCIONIFRSA-N 2 3 269.433 1.203 10 0 CDAEHP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]2CCC[C@@H]21 ZINC000423358219 290223359 /nfs/dbraw/zinc/22/33/59/290223359.db2.gz BLBXHSBWHGNISQ-AICCOOGYSA-N 2 3 251.418 1.719 10 0 CDAEHP C(C1CC[NH2+]CC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647479723 390966896 /nfs/dbraw/zinc/96/68/96/390966896.db2.gz QZEYLWLQSLSBHY-LSDHHAIUSA-N 2 3 251.418 1.450 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)CN1CCCC1 ZINC000423070615 392314944 /nfs/dbraw/zinc/31/49/44/392314944.db2.gz GKWMEMGYUGNNQC-CQSZACIVSA-N 2 3 271.449 1.452 10 0 CDAEHP COC[C@@H](CCC[NH3+])NCC(C)(C)C[NH+]1CCCC1 ZINC000423070615 392314948 /nfs/dbraw/zinc/31/49/48/392314948.db2.gz GKWMEMGYUGNNQC-CQSZACIVSA-N 2 3 271.449 1.452 10 0 CDAEHP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000656270094 413143620 /nfs/dbraw/zinc/14/36/20/413143620.db2.gz YGLCLUWZCPBBHQ-KDYLLFBJSA-N 2 3 288.439 1.980 10 0 CDAEHP CCN(CC)CCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000191484957 270291065 /nfs/dbraw/zinc/29/10/65/270291065.db2.gz AEBTVOPCINRENX-INIZCTEOSA-N 2 3 299.503 1.743 10 0 CDAEHP CCN(CC)CCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000191484957 270291066 /nfs/dbraw/zinc/29/10/66/270291066.db2.gz AEBTVOPCINRENX-INIZCTEOSA-N 2 3 299.503 1.743 10 0 CDAEHP CC[NH+](CC)CCCN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000191484957 270291067 /nfs/dbraw/zinc/29/10/67/270291067.db2.gz AEBTVOPCINRENX-INIZCTEOSA-N 2 3 299.503 1.743 10 0 CDAEHP CN1CCCC[C@H]1CC[NH2+]CC1CC[NH+](C)CC1 ZINC000052206124 523765421 /nfs/dbraw/zinc/76/54/21/523765421.db2.gz ULMJAPGNTAMWRL-HNNXBMFYSA-N 2 3 253.434 1.792 10 0 CDAEHP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCCN1CCCCC1)CC2 ZINC000923452319 923845786 /nfs/dbraw/zinc/84/57/86/923845786.db2.gz PXLQVHCKFUNDCH-MRXNPFEDSA-N 2 3 295.471 1.692 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000925693283 932927538 /nfs/dbraw/zinc/92/75/38/932927538.db2.gz QZPAYVBNTVZKJN-RDBSUJKOSA-N 2 3 251.418 1.352 10 0 CDAEHP C[C@@H]1C[C@H](CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC[NH2+]1 ZINC000647479481 390966700 /nfs/dbraw/zinc/96/67/00/390966700.db2.gz IYDWRYYZHJPAMH-LVQVYYBASA-N 2 3 265.445 1.839 10 0 CDAEHP CC[NH+]1CCC(CN2CC[C@@H]([NH2+]C)C[C@@H]2C)CC1 ZINC000044518855 175191463 /nfs/dbraw/zinc/19/14/63/175191463.db2.gz DNZVVKODMWKLCE-DZGCQCFKSA-N 2 3 253.434 1.791 10 0 CDAEHP CC[NH+]1CCC(C[NH+]2C[C@@H](C)CNC[C@H](C)C2)CC1 ZINC000044526853 175192048 /nfs/dbraw/zinc/19/20/48/175192048.db2.gz PFDJFKWUAMOQLO-GJZGRUSLSA-N 2 3 267.461 1.896 10 0 CDAEHP C[C@@H](CCC[NH2+]C(C)(C)C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654960 524457126 /nfs/dbraw/zinc/45/71/26/524457126.db2.gz ROIWLUUIHAROGN-INIZCTEOSA-N 2 3 298.519 1.722 10 0 CDAEHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000925701771 617752815 /nfs/dbraw/zinc/75/28/15/617752815.db2.gz FKUQHIFJPVQNMR-SEBNEYGDSA-N 2 3 265.445 1.693 10 0 CDAEHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925819688 789323991 /nfs/dbraw/zinc/32/39/91/789323991.db2.gz YFSCRNZYHKKZDK-GJZGRUSLSA-N 2 3 290.455 1.307 10 0 CDAEHP C[NH+](C)CCOCCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623494541 347603940 /nfs/dbraw/zinc/60/39/40/347603940.db2.gz UDBAKBDOHQTTLV-ZDUSSCGKSA-N 2 3 257.422 1.027 10 0 CDAEHP C[NH+](C)CCOCCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623494541 347603944 /nfs/dbraw/zinc/60/39/44/347603944.db2.gz UDBAKBDOHQTTLV-ZDUSSCGKSA-N 2 3 257.422 1.027 10 0 CDAEHP [NH3+]CCCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327998 412900349 /nfs/dbraw/zinc/90/03/49/412900349.db2.gz XNYWGAQQROIOMX-UHFFFAOYSA-N 2 3 291.443 1.405 10 0 CDAEHP [NH3+]CCCN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327998 412900353 /nfs/dbraw/zinc/90/03/53/412900353.db2.gz XNYWGAQQROIOMX-UHFFFAOYSA-N 2 3 291.443 1.405 10 0 CDAEHP C[NH+](C)CCC[C@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000662327828 412899772 /nfs/dbraw/zinc/89/97/72/412899772.db2.gz WLPCCOKHXNTKFR-INIZCTEOSA-N 2 3 283.460 1.419 10 0 CDAEHP C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC000647902765 391200417 /nfs/dbraw/zinc/20/04/17/391200417.db2.gz BZAFXYOVHLYYKG-HOTGVXAUSA-N 2 3 265.445 1.840 10 0 CDAEHP C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[C@H]1CC[NH2+]C1 ZINC000647903510 391200631 /nfs/dbraw/zinc/20/06/31/391200631.db2.gz KXTFIEJOTFOLHJ-KFWWJZLASA-N 2 3 251.418 1.450 10 0 CDAEHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000422780972 279256955 /nfs/dbraw/zinc/25/69/55/279256955.db2.gz ICRLRDCIYFMZIH-HUUCEWRRSA-N 2 3 253.434 1.825 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000925786542 617709756 /nfs/dbraw/zinc/70/97/56/617709756.db2.gz PMZWDYMQGYSENW-VNQPRFMTSA-N 2 3 261.413 1.912 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925880903 617964461 /nfs/dbraw/zinc/96/44/61/617964461.db2.gz WRQDITLOHYETQC-BJJPWKGXSA-N 2 3 251.418 1.480 10 0 CDAEHP C(C[NH2+]C1CC1)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000923432219 795882788 /nfs/dbraw/zinc/88/27/88/795882788.db2.gz YIDMUDNARPBUIV-CALCHBBNSA-N 2 3 292.471 1.029 10 0 CDAEHP C(C[NH2+]C1CC1)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000923432219 795882789 /nfs/dbraw/zinc/88/27/89/795882789.db2.gz YIDMUDNARPBUIV-CALCHBBNSA-N 2 3 292.471 1.029 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000665299141 414045157 /nfs/dbraw/zinc/04/51/57/414045157.db2.gz HKCNXEHOPZYEQH-CVEARBPZSA-N 2 3 283.460 1.452 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299141 414045163 /nfs/dbraw/zinc/04/51/63/414045163.db2.gz HKCNXEHOPZYEQH-CVEARBPZSA-N 2 3 283.460 1.452 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299141 414045168 /nfs/dbraw/zinc/04/51/68/414045168.db2.gz HKCNXEHOPZYEQH-CVEARBPZSA-N 2 3 283.460 1.452 10 0 CDAEHP N[C@@H]1CCCCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000575914954 317036973 /nfs/dbraw/zinc/03/69/73/317036973.db2.gz ZOTFHHRYQDJMQO-BHUNQDJPSA-N 2 3 294.487 1.452 10 0 CDAEHP N[C@@H]1CCCCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000575914954 317036976 /nfs/dbraw/zinc/03/69/76/317036976.db2.gz ZOTFHHRYQDJMQO-BHUNQDJPSA-N 2 3 294.487 1.452 10 0 CDAEHP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000903444256 625997983 /nfs/dbraw/zinc/99/79/83/625997983.db2.gz RDBVCHKDCDRWMY-SOUVJXGZSA-N 2 3 251.418 1.532 10 0 CDAEHP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000903444256 625997985 /nfs/dbraw/zinc/99/79/85/625997985.db2.gz RDBVCHKDCDRWMY-SOUVJXGZSA-N 2 3 251.418 1.532 10 0 CDAEHP [NH3+]CCCOCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925718222 900351068 /nfs/dbraw/zinc/35/10/68/900351068.db2.gz NEGSBLCQWZBLDG-GJZGRUSLSA-N 2 3 269.433 1.110 10 0 CDAEHP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cnccc1N ZINC000925847399 932945718 /nfs/dbraw/zinc/94/57/18/932945718.db2.gz RKZFJOSBZSCVPZ-AWEZNQCLSA-N 2 3 291.443 1.220 10 0 CDAEHP C[C@]12C[NH2+]C[C@@]1(C)CN(CCCC1CC[NH2+]CC1)C2 ZINC000629595254 363091155 /nfs/dbraw/zinc/09/11/55/363091155.db2.gz ORLHQYXKUCPXBY-IYBDPMFKSA-N 2 3 265.445 1.698 10 0 CDAEHP C[C@H]1C[C@H](CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[NH2+]1 ZINC000629669421 363308138 /nfs/dbraw/zinc/30/81/38/363308138.db2.gz XMKWFSHUIXJTKT-LJISPDSOSA-N 2 3 251.418 1.306 10 0 CDAEHP C[C@@H]1C[C@H](CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC[NH2+]1 ZINC000647479482 390966677 /nfs/dbraw/zinc/96/66/77/390966677.db2.gz IYDWRYYZHJPAMH-WCVJEAGWSA-N 2 3 265.445 1.839 10 0 CDAEHP C[C@@H](C[NH2+]C1CC1)CN1CCC(C[NH+](C)C)CC1 ZINC000052515259 524734437 /nfs/dbraw/zinc/73/44/37/524734437.db2.gz CKDDNXPDINZWGS-ZDUSSCGKSA-N 2 3 253.434 1.648 10 0 CDAEHP C[C@@H](CNC1CC1)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515259 524734446 /nfs/dbraw/zinc/73/44/46/524734446.db2.gz CKDDNXPDINZWGS-ZDUSSCGKSA-N 2 3 253.434 1.648 10 0 CDAEHP CC1(C)[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)[C@@H]2CCCN[C@@H]21 ZINC000925705149 617784109 /nfs/dbraw/zinc/78/41/09/617784109.db2.gz HZLPYVSYXZBXSJ-MQLXINIDSA-N 2 3 251.418 1.480 10 0 CDAEHP NC[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925882572 1166749087 /nfs/dbraw/zinc/74/90/87/1166749087.db2.gz QYPMCYJKVSNLMG-DZUCGIPZSA-N 2 3 273.424 1.763 10 0 CDAEHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925540428 813338511 /nfs/dbraw/zinc/33/85/11/813338511.db2.gz GJFDLSYOOIJBQW-HZSPNIEDSA-N 2 3 269.433 1.203 10 0 CDAEHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925540428 813338522 /nfs/dbraw/zinc/33/85/22/813338522.db2.gz GJFDLSYOOIJBQW-HZSPNIEDSA-N 2 3 269.433 1.203 10 0 CDAEHP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)C1 ZINC000925536203 816827177 /nfs/dbraw/zinc/82/71/77/816827177.db2.gz CJMCGKHXSSGUSS-BFHYXJOUSA-N 2 3 265.445 1.966 10 0 CDAEHP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCOCCC[NH3+] ZINC000629541134 362964865 /nfs/dbraw/zinc/96/48/65/362964865.db2.gz WPOJXLIGIXUIHD-KBPBESRZSA-N 2 3 257.422 1.252 10 0 CDAEHP CCN1CC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000037644291 356511045 /nfs/dbraw/zinc/51/10/45/356511045.db2.gz XHXDOAKURZEZPL-OAHLLOKOSA-N 2 3 288.439 1.982 10 0 CDAEHP CC[NH+]1CCC(C[NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000643453724 370580607 /nfs/dbraw/zinc/58/06/07/370580607.db2.gz VTPJKKOXGLRHJZ-UKRRQHHQSA-N 2 3 253.434 1.696 10 0 CDAEHP CC(C)[C@H]([NH3+])CCNCc1cccc2c1CC[NH2+]C2 ZINC000903932554 626152561 /nfs/dbraw/zinc/15/25/61/626152561.db2.gz DQJMHOHCGCRART-MRXNPFEDSA-N 2 3 261.413 1.795 10 0 CDAEHP CC(C)CN(C)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000650740859 398170827 /nfs/dbraw/zinc/17/08/27/398170827.db2.gz STZIJPBLVVKTCG-OWCLPIDISA-N 2 3 267.461 1.942 10 0 CDAEHP CC1(C)[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@@H]2CCCN[C@@H]21 ZINC000925690875 617694878 /nfs/dbraw/zinc/69/48/78/617694878.db2.gz HVXIYMXUHHKRLF-RFQIPJPRSA-N 2 3 251.418 1.352 10 0 CDAEHP C([NH2+][C@H]1CCNC12CCC2)C1CC[NH+](CC2CC2)CC1 ZINC000925716532 617835300 /nfs/dbraw/zinc/83/53/00/617835300.db2.gz OOZFSVSEVUEDQS-INIZCTEOSA-N 2 3 277.456 1.983 10 0 CDAEHP CC1([NH+]2CCC2)CCC(N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925860652 617899556 /nfs/dbraw/zinc/89/95/56/617899556.db2.gz IZHWUWAKRVDHFK-OLDUJTLWSA-N 2 3 289.467 1.979 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000903460029 625995286 /nfs/dbraw/zinc/99/52/86/625995286.db2.gz UVSLBUFEFYCMCU-OEAJRASXSA-N 2 3 281.444 1.060 10 0 CDAEHP CC1(C)[C@H]([NH2+]CC2CC[NH2+]CC2)[C@@H]2CCCN[C@@H]21 ZINC000925693281 824700167 /nfs/dbraw/zinc/70/01/67/824700167.db2.gz QZPAYVBNTVZKJN-HZSPNIEDSA-N 2 3 251.418 1.352 10 0 CDAEHP C[N@H+]1CC=C(CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925636433 827032558 /nfs/dbraw/zinc/03/25/58/827032558.db2.gz SDFSYIYBGUEHNQ-ILXRZTDVSA-N 2 3 263.429 1.615 10 0 CDAEHP C[N@@H+]1CC=C(CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925636433 827032574 /nfs/dbraw/zinc/03/25/74/827032574.db2.gz SDFSYIYBGUEHNQ-ILXRZTDVSA-N 2 3 263.429 1.615 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000422741822 536597186 /nfs/dbraw/zinc/59/71/86/536597186.db2.gz PDARSBQNGMIMBA-HUUCEWRRSA-N 2 3 271.449 1.450 10 0 CDAEHP C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC000647902766 391200569 /nfs/dbraw/zinc/20/05/69/391200569.db2.gz BZAFXYOVHLYYKG-HZPDHXFCSA-N 2 3 265.445 1.840 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000422741822 536597175 /nfs/dbraw/zinc/59/71/75/536597175.db2.gz PDARSBQNGMIMBA-HUUCEWRRSA-N 2 3 271.449 1.450 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000422741822 536597182 /nfs/dbraw/zinc/59/71/82/536597182.db2.gz PDARSBQNGMIMBA-HUUCEWRRSA-N 2 3 271.449 1.450 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000925783105 617700175 /nfs/dbraw/zinc/70/01/75/617700175.db2.gz CNISAVRANSJTNI-GZBLMMOJSA-N 2 3 251.418 1.304 10 0 CDAEHP COCCN(C)CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925541070 828975075 /nfs/dbraw/zinc/97/50/75/828975075.db2.gz AEUXGYDYNHZPFQ-IRXDYDNUSA-N 2 3 297.487 1.713 10 0 CDAEHP C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[C@@H]1CC[NH2+]C1 ZINC000647903511 391200774 /nfs/dbraw/zinc/20/07/74/391200774.db2.gz KXTFIEJOTFOLHJ-KKUMJFAQSA-N 2 3 251.418 1.450 10 0 CDAEHP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@]1(C)CN ZINC000415062069 391740313 /nfs/dbraw/zinc/74/03/13/391740313.db2.gz XVZGKESYCYHIBM-IBEHDNSVSA-N 2 3 265.445 1.824 10 0 CDAEHP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@]1(C)CN ZINC000415062069 391740316 /nfs/dbraw/zinc/74/03/16/391740316.db2.gz XVZGKESYCYHIBM-IBEHDNSVSA-N 2 3 265.445 1.824 10 0 CDAEHP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C[C@@]1(C)CN ZINC000415062274 288249080 /nfs/dbraw/zinc/24/90/80/288249080.db2.gz XVZGKESYCYHIBM-YIDVYQOGSA-N 2 3 265.445 1.824 10 0 CDAEHP C[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C[C@@]1(C)CN ZINC000415062274 288249081 /nfs/dbraw/zinc/24/90/81/288249081.db2.gz XVZGKESYCYHIBM-YIDVYQOGSA-N 2 3 265.445 1.824 10 0 CDAEHP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCCNC1 ZINC000562958613 293226191 /nfs/dbraw/zinc/22/61/91/293226191.db2.gz CKOGUNFNBSYGKQ-HIFRSBDPSA-N 2 3 253.434 1.696 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000903966780 626172264 /nfs/dbraw/zinc/17/22/64/626172264.db2.gz CADHPYMJLCKFFG-XBVQOTNRSA-N 2 3 273.424 1.925 10 0 CDAEHP C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)[C@@H]1CC[NH2+]C1 ZINC000647903512 391200476 /nfs/dbraw/zinc/20/04/76/391200476.db2.gz KXTFIEJOTFOLHJ-ZNMIVQPWSA-N 2 3 251.418 1.450 10 0 CDAEHP C[NH+](C)CCN1CCN(CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000061652520 521765128 /nfs/dbraw/zinc/76/51/28/521765128.db2.gz FJWUBSWMIRZVNN-MRXNPFEDSA-N 2 3 282.476 1.088 10 0 CDAEHP CCCN1CCC([NH2+]CCCCCN2CC[NH2+]CC2)CC1 ZINC000925848550 843777274 /nfs/dbraw/zinc/77/72/74/843777274.db2.gz HYMAXABRRHVICO-UHFFFAOYSA-N 2 3 296.503 1.526 10 0 CDAEHP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000715519626 845386736 /nfs/dbraw/zinc/38/67/36/845386736.db2.gz UZSDKNJNGKGLKO-LQULJDIASA-N 2 3 253.434 1.966 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000925727151 932933570 /nfs/dbraw/zinc/93/35/70/932933570.db2.gz ZGYXEQSGIVPAPT-ZSAUSMIDSA-N 2 3 265.445 1.870 10 0 CDAEHP C[C@H](O)C[NH+]1CCC(CN(C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262114187 359134540 /nfs/dbraw/zinc/13/45/40/359134540.db2.gz WVIJWHONRATTNQ-GOEBONIOSA-N 2 3 283.460 1.011 10 0 CDAEHP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903784439 626093444 /nfs/dbraw/zinc/09/34/44/626093444.db2.gz OUTDMSSPJALQTQ-BBWFWOEESA-N 2 3 293.455 1.221 10 0 CDAEHP CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000926309969 698056614 /nfs/dbraw/zinc/05/66/14/698056614.db2.gz SROROCAUCGRKSX-FKEKPDDDSA-N 2 3 277.456 1.791 10 0 CDAEHP C[NH2+]CCOCCN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000629572560 363027158 /nfs/dbraw/zinc/02/71/58/363027158.db2.gz XDHIGKHGIPKZBW-UHFFFAOYSA-N 2 3 277.412 1.000 10 0 CDAEHP CC[NH+]1CCC(C[NH2+]CCCN2CCCC2)CC1 ZINC000044518435 175191165 /nfs/dbraw/zinc/19/11/65/175191165.db2.gz WGGUNZOBKGYHRJ-UHFFFAOYSA-N 2 3 253.434 1.794 10 0 CDAEHP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C[C@@]1(C)CN ZINC000415062070 288249070 /nfs/dbraw/zinc/24/90/70/288249070.db2.gz XVZGKESYCYHIBM-LYYZXLFJSA-N 2 3 265.445 1.824 10 0 CDAEHP C[C@@H]1C[N@H+]([C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C[C@@]1(C)CN ZINC000415062070 288249071 /nfs/dbraw/zinc/24/90/71/288249071.db2.gz XVZGKESYCYHIBM-LYYZXLFJSA-N 2 3 265.445 1.824 10 0 CDAEHP N[C@@H]1CCCCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000575914953 317037050 /nfs/dbraw/zinc/03/70/50/317037050.db2.gz ZOTFHHRYQDJMQO-BACDZXNISA-N 2 3 294.487 1.452 10 0 CDAEHP N[C@@H]1CCCCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000575914953 317037054 /nfs/dbraw/zinc/03/70/54/317037054.db2.gz ZOTFHHRYQDJMQO-BACDZXNISA-N 2 3 294.487 1.452 10 0 CDAEHP CN(C)C1CC[NH+](CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050952740 524039476 /nfs/dbraw/zinc/03/94/76/524039476.db2.gz FZGKXMWXWOALCR-AWEZNQCLSA-N 2 3 253.434 1.935 10 0 CDAEHP CC(C)C[C@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980151 626170256 /nfs/dbraw/zinc/17/02/56/626170256.db2.gz KCFUCOVLKSEPIZ-BHYGNILZSA-N 2 3 294.487 1.260 10 0 CDAEHP CC(C)C[C@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980151 626170258 /nfs/dbraw/zinc/17/02/58/626170258.db2.gz KCFUCOVLKSEPIZ-BHYGNILZSA-N 2 3 294.487 1.260 10 0 CDAEHP CC(C)C[C@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980151 626170261 /nfs/dbraw/zinc/17/02/61/626170261.db2.gz KCFUCOVLKSEPIZ-BHYGNILZSA-N 2 3 294.487 1.260 10 0 CDAEHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000665240443 413973597 /nfs/dbraw/zinc/97/35/97/413973597.db2.gz LEXHPYFBGAFKQR-ZQIUZPCESA-N 2 3 291.439 1.469 10 0 CDAEHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000665240443 413973609 /nfs/dbraw/zinc/97/36/09/413973609.db2.gz LEXHPYFBGAFKQR-ZQIUZPCESA-N 2 3 291.439 1.469 10 0 CDAEHP CCO[C@@H](CN)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062739950 520310929 /nfs/dbraw/zinc/31/09/29/520310929.db2.gz GJDQZBHCUXLNCH-HNNXBMFYSA-N 2 3 269.433 1.158 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](C)CN1CCCC1 ZINC000234726732 536596298 /nfs/dbraw/zinc/59/62/98/536596298.db2.gz ZYPOBAQYCUABPC-UONOGXRCSA-N 2 3 257.422 1.062 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@H](C)C[NH+]1CCCC1 ZINC000234726732 536596303 /nfs/dbraw/zinc/59/63/03/536596303.db2.gz ZYPOBAQYCUABPC-UONOGXRCSA-N 2 3 257.422 1.062 10 0 CDAEHP CC1(C)[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)[C@@H]2CCCN[C@@H]21 ZINC000925705152 617784335 /nfs/dbraw/zinc/78/43/35/617784335.db2.gz HZLPYVSYXZBXSJ-XHJNMGKDSA-N 2 3 251.418 1.480 10 0 CDAEHP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)C1CNC1 ZINC000925806447 712105831 /nfs/dbraw/zinc/10/58/31/712105831.db2.gz DHKCEIJRBCGMEX-CYBMUJFWSA-N 2 3 253.434 1.744 10 0 CDAEHP [NH3+]CCCOCCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000629537138 362952913 /nfs/dbraw/zinc/95/29/13/362952913.db2.gz IEORWPFTPSSFAK-HOTGVXAUSA-N 2 3 277.412 1.435 10 0 CDAEHP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCCNC3)CC[NH2+]1 ZINC000576040652 317062506 /nfs/dbraw/zinc/06/25/06/317062506.db2.gz NFMHWDWYENCINF-ILXRZTDVSA-N 2 3 251.418 1.450 10 0 CDAEHP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCCNC3)CC[NH2+]1 ZINC000576040652 317062509 /nfs/dbraw/zinc/06/25/09/317062509.db2.gz NFMHWDWYENCINF-ILXRZTDVSA-N 2 3 251.418 1.450 10 0 CDAEHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CC1 ZINC000422778779 245248166 /nfs/dbraw/zinc/24/81/66/245248166.db2.gz DZJNOHOFTZSNJH-VNQPRFMTSA-N 2 3 283.460 1.450 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000422999565 293096668 /nfs/dbraw/zinc/09/66/68/293096668.db2.gz SRKDFOMWKAGFEC-CVEARBPZSA-N 2 3 285.476 1.698 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000422999565 293096671 /nfs/dbraw/zinc/09/66/71/293096671.db2.gz SRKDFOMWKAGFEC-CVEARBPZSA-N 2 3 285.476 1.698 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000422999565 293096672 /nfs/dbraw/zinc/09/66/72/293096672.db2.gz SRKDFOMWKAGFEC-CVEARBPZSA-N 2 3 285.476 1.698 10 0 CDAEHP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]2CCCN[C@@H]21 ZINC000925708682 617799323 /nfs/dbraw/zinc/79/93/23/617799323.db2.gz SFCJFDQCAYCHLN-GTDBDLECSA-N 2 3 277.456 1.741 10 0 CDAEHP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925726931 932933639 /nfs/dbraw/zinc/93/36/39/932933639.db2.gz MBWTWJNIEQSLQX-FAAHXZRKSA-N 2 3 251.418 1.482 10 0 CDAEHP C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc2c1CC[NH2+]C2 ZINC000662264289 423811481 /nfs/dbraw/zinc/81/14/81/423811481.db2.gz HVBXRETTWXYJCI-STQMWFEESA-N 2 3 259.397 1.501 10 0 CDAEHP C[NH2+]Cc1coc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000052515368 522149020 /nfs/dbraw/zinc/14/90/20/522149020.db2.gz QZUVYJHTSSZYFR-UHFFFAOYSA-N 2 3 265.401 1.773 10 0 CDAEHP C(C[NH2+][C@H]1CCNC12CCC2)CC1CC[NH2+]CC1 ZINC000903473091 626004610 /nfs/dbraw/zinc/00/46/10/626004610.db2.gz ZRRRTRFUGKAJDC-AWEZNQCLSA-N 2 3 251.418 1.640 10 0 CDAEHP FC1(F)CCNC[C@@H]1C[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000903957661 626158179 /nfs/dbraw/zinc/15/81/79/626158179.db2.gz SEQDVTPKKXUFEF-CQSZACIVSA-N 2 3 295.377 1.667 10 0 CDAEHP C[NH+](C)CCOCCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623494540 347604155 /nfs/dbraw/zinc/60/41/55/347604155.db2.gz UDBAKBDOHQTTLV-CYBMUJFWSA-N 2 3 257.422 1.027 10 0 CDAEHP C[NH+](C)CCOCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623494540 347604158 /nfs/dbraw/zinc/60/41/58/347604158.db2.gz UDBAKBDOHQTTLV-CYBMUJFWSA-N 2 3 257.422 1.027 10 0 CDAEHP CC(C)C[C@H](N)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415122069 279179038 /nfs/dbraw/zinc/17/90/38/279179038.db2.gz JKUFOTMCVUJGFG-JYJNAYRXSA-N 2 3 283.460 1.578 10 0 CDAEHP CCN1CCN(CCC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925546867 678547239 /nfs/dbraw/zinc/54/72/39/678547239.db2.gz QOVUGCJISHSIKU-CVEARBPZSA-N 2 3 296.503 1.510 10 0 CDAEHP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCNC1 ZINC000643479622 375850451 /nfs/dbraw/zinc/85/04/51/375850451.db2.gz FCEZQRKUOYNRIO-UONOGXRCSA-N 2 3 253.434 1.696 10 0 CDAEHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000665240441 413971146 /nfs/dbraw/zinc/97/11/46/413971146.db2.gz LEXHPYFBGAFKQR-JJRVBVJISA-N 2 3 291.439 1.469 10 0 CDAEHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000665240441 413971157 /nfs/dbraw/zinc/97/11/57/413971157.db2.gz LEXHPYFBGAFKQR-JJRVBVJISA-N 2 3 291.439 1.469 10 0 CDAEHP C(C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)CN1CC[NH2+]CC1 ZINC000925688775 617683256 /nfs/dbraw/zinc/68/32/56/617683256.db2.gz FLUUTQHQRFZTAN-SJORKVTESA-N 2 3 294.487 1.040 10 0 CDAEHP CCN1CC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000925846346 617881505 /nfs/dbraw/zinc/88/15/05/617881505.db2.gz SBKCCNKHBQDPQY-SJORKVTESA-N 2 3 296.503 1.382 10 0 CDAEHP [NH3+]C[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1C(F)(F)F ZINC000903473854 626004516 /nfs/dbraw/zinc/00/45/16/626004516.db2.gz AODNSOWNUDXVLJ-WISYIIOYSA-N 2 3 279.350 1.573 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000903966777 626172283 /nfs/dbraw/zinc/17/22/83/626172283.db2.gz CADHPYMJLCKFFG-BSWAZPDLSA-N 2 3 273.424 1.925 10 0 CDAEHP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cnccc1N ZINC000925847403 679790149 /nfs/dbraw/zinc/79/01/49/679790149.db2.gz RKZFJOSBZSCVPZ-CQSZACIVSA-N 2 3 291.443 1.220 10 0 CDAEHP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCN(C3CC3)C2)C[C@@H]([NH3+])C1 ZINC000925536206 679838015 /nfs/dbraw/zinc/83/80/15/679838015.db2.gz CJMCGKHXSSGUSS-MJBXVCDLSA-N 2 3 265.445 1.966 10 0 CDAEHP [NH3+]C[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000872150389 683061841 /nfs/dbraw/zinc/06/18/41/683061841.db2.gz DYUNSPLLXYIONE-NEPJUHHUSA-N 2 3 279.350 1.445 10 0 CDAEHP CC[NH+]1CCC(CC[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925518522 683112495 /nfs/dbraw/zinc/11/24/95/683112495.db2.gz RKKCHKNQWJKIIL-HNNXBMFYSA-N 2 3 265.445 1.983 10 0 CDAEHP [NH3+]C1CCN(CCN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925817378 683176096 /nfs/dbraw/zinc/17/60/96/683176096.db2.gz QYGRALZJDCUCGE-IAGOWNOFSA-N 2 3 294.487 1.167 10 0 CDAEHP C(C1CC[NH2+]CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479720 390966916 /nfs/dbraw/zinc/96/69/16/390966916.db2.gz QZEYLWLQSLSBHY-CABCVRRESA-N 2 3 251.418 1.450 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCCCC[NH3+] ZINC000925706311 617791696 /nfs/dbraw/zinc/79/16/96/617791696.db2.gz CENJLBDPCYZBKU-IHRRRGAJSA-N 2 3 253.434 1.872 10 0 CDAEHP [NH3+]C[C@H]1CN(CCC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000872150391 685982523 /nfs/dbraw/zinc/98/25/23/685982523.db2.gz DYUNSPLLXYIONE-NWDGAFQWSA-N 2 3 279.350 1.445 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000423039164 392293864 /nfs/dbraw/zinc/29/38/64/392293864.db2.gz DUBDTCVITNIDQG-OAGGEKHMSA-N 2 3 297.487 1.983 10 0 CDAEHP COC[C@H](CCC[NH3+])N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423039164 392293871 /nfs/dbraw/zinc/29/38/71/392293871.db2.gz DUBDTCVITNIDQG-OAGGEKHMSA-N 2 3 297.487 1.983 10 0 CDAEHP COC[C@H](CCC[NH3+])N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423039164 392293876 /nfs/dbraw/zinc/29/38/76/392293876.db2.gz DUBDTCVITNIDQG-OAGGEKHMSA-N 2 3 297.487 1.983 10 0 CDAEHP CC[NH2+][C@H](C)CCCCN1CCN(CC[NH+](C)C)CC1 ZINC000061643814 520171721 /nfs/dbraw/zinc/17/17/21/520171721.db2.gz FPXQZAFMWZVNFJ-MRXNPFEDSA-N 2 3 284.492 1.334 10 0 CDAEHP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@H](CN3CCCCC3)C2)C1 ZINC000903443450 625997432 /nfs/dbraw/zinc/99/74/32/625997432.db2.gz CFYGISSQBBHPRA-ARFHVFGLSA-N 2 3 265.445 1.922 10 0 CDAEHP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](CN3CCCCC3)C2)C1 ZINC000903443450 625997434 /nfs/dbraw/zinc/99/74/34/625997434.db2.gz CFYGISSQBBHPRA-ARFHVFGLSA-N 2 3 265.445 1.922 10 0 CDAEHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925609296 695102856 /nfs/dbraw/zinc/10/28/56/695102856.db2.gz RZTHRJYOWTWVPY-LSDHHAIUSA-N 2 3 281.444 1.098 10 0 CDAEHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925609296 695102868 /nfs/dbraw/zinc/10/28/68/695102868.db2.gz RZTHRJYOWTWVPY-LSDHHAIUSA-N 2 3 281.444 1.098 10 0 CDAEHP [NH3+]C[C@H]1CN(CCC2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000872150392 695601921 /nfs/dbraw/zinc/60/19/21/695601921.db2.gz DYUNSPLLXYIONE-RYUDHWBXSA-N 2 3 279.350 1.445 10 0 CDAEHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCNC12CCC2 ZINC000925609294 724412441 /nfs/dbraw/zinc/41/24/41/724412441.db2.gz RZTHRJYOWTWVPY-GJZGRUSLSA-N 2 3 281.444 1.098 10 0 CDAEHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCNC12CCC2 ZINC000925609294 724412444 /nfs/dbraw/zinc/41/24/44/724412444.db2.gz RZTHRJYOWTWVPY-GJZGRUSLSA-N 2 3 281.444 1.098 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]CC[C@H](C)N1CCCCC1 ZINC000423028551 359746219 /nfs/dbraw/zinc/74/62/19/359746219.db2.gz GRIVDBAURZSOKD-LSDHHAIUSA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@@H](CCC[NH3+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000423028551 359746224 /nfs/dbraw/zinc/74/62/24/359746224.db2.gz GRIVDBAURZSOKD-LSDHHAIUSA-N 2 3 271.449 1.594 10 0 CDAEHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000655804913 414198919 /nfs/dbraw/zinc/19/89/19/414198919.db2.gz FXGIHBDHYRGCAX-KBXIAJHMSA-N 2 3 251.418 1.543 10 0 CDAEHP C[C@@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CCN1C ZINC000925840406 617871298 /nfs/dbraw/zinc/87/12/98/617871298.db2.gz AAOYFNXEMXMMGR-KBUPBQIOSA-N 2 3 251.418 1.591 10 0 CDAEHP [NH3+]CCCOCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000629536086 362949656 /nfs/dbraw/zinc/94/96/56/362949656.db2.gz DZJCZSYDFYFRPU-RBSFLKMASA-N 2 3 269.433 1.252 10 0 CDAEHP C[C@@H]([NH3+])C[C@@H](C)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000422792688 296020736 /nfs/dbraw/zinc/02/07/36/296020736.db2.gz RKSRMAQPTFFXPC-HZPDHXFCSA-N 2 3 296.503 1.652 10 0 CDAEHP C[C@@H]1C[C@@H](C[NH2+][C@H]2CCNC23CCCC3)CC[NH2+]1 ZINC000647553484 391000483 /nfs/dbraw/zinc/00/04/83/391000483.db2.gz BDBLNSRAZHCQHC-RDBSUJKOSA-N 2 3 251.418 1.639 10 0 CDAEHP C[NH+](C)CCN1CCN(CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000061652519 521765210 /nfs/dbraw/zinc/76/52/10/521765210.db2.gz FJWUBSWMIRZVNN-INIZCTEOSA-N 2 3 282.476 1.088 10 0 CDAEHP C(N1CCC([C@@H]2CCC[NH2+]CC2)CC1)[C@]12C[C@H]1C[NH2+]C2 ZINC000904417087 626286703 /nfs/dbraw/zinc/28/67/03/626286703.db2.gz ZOQAVZDUUUCIJO-HYVNUMGLSA-N 2 3 277.456 1.698 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925796450 729832470 /nfs/dbraw/zinc/83/24/70/729832470.db2.gz RKAHCKIPNKDRCM-ARILJUKYSA-N 2 3 265.445 1.598 10 0 CDAEHP C[N@H+](CCCC[NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000925686070 729954389 /nfs/dbraw/zinc/95/43/89/729954389.db2.gz QYVVBIDKLJUQJB-CQSZACIVSA-N 2 3 251.418 1.735 10 0 CDAEHP C[N@@H+](CCCC[NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000925686070 729954392 /nfs/dbraw/zinc/95/43/92/729954392.db2.gz QYVVBIDKLJUQJB-CQSZACIVSA-N 2 3 251.418 1.735 10 0 CDAEHP C(CNC1CC1)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358875 923770452 /nfs/dbraw/zinc/77/04/52/923770452.db2.gz MBDJFNLQHIXBRX-LSDHHAIUSA-N 2 3 265.445 1.840 10 0 CDAEHP C(CNC1CC1)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358875 923770464 /nfs/dbraw/zinc/77/04/64/923770464.db2.gz MBDJFNLQHIXBRX-LSDHHAIUSA-N 2 3 265.445 1.840 10 0 CDAEHP C(C[NH2+]C1CC1)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358875 923770473 /nfs/dbraw/zinc/77/04/73/923770473.db2.gz MBDJFNLQHIXBRX-LSDHHAIUSA-N 2 3 265.445 1.840 10 0 CDAEHP CC(C)C[C@@H]([NH3+])CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424368929 391672777 /nfs/dbraw/zinc/67/27/77/391672777.db2.gz ATYYZZATKVYAHQ-ZIAGYGMSSA-N 2 3 253.434 1.824 10 0 CDAEHP C(N1CCC[C@H](C2CC[NH2+]CC2)C1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663496043 423890707 /nfs/dbraw/zinc/89/07/07/423890707.db2.gz COGQIOAANSRQHU-XHSDSOJGSA-N 2 3 263.429 1.308 10 0 CDAEHP CC(C)CN1CCN(C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000055078543 519725169 /nfs/dbraw/zinc/72/51/69/519725169.db2.gz JSFACURZYRIMBR-SJPCQFCGSA-N 2 3 294.487 1.214 10 0 CDAEHP CC(C)CN1CCN(C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000055078543 519725171 /nfs/dbraw/zinc/72/51/71/519725171.db2.gz JSFACURZYRIMBR-SJPCQFCGSA-N 2 3 294.487 1.214 10 0 CDAEHP CC1(C)[C@H]([NH2+]CCCCCC[NH3+])[C@@H]2CCCN[C@@H]21 ZINC000925706312 617791509 /nfs/dbraw/zinc/79/15/09/617791509.db2.gz CENJLBDPCYZBKU-MJBXVCDLSA-N 2 3 253.434 1.872 10 0 CDAEHP [NH3+]C[C@@]1(c2ccccc2)C[C@H](N[C@H]2CCC[C@H]2[NH3+])C1 ZINC000925881624 617966627 /nfs/dbraw/zinc/96/66/27/617966627.db2.gz JYFKUMJBEXXPFH-WCVJEAGWSA-N 2 3 259.397 1.515 10 0 CDAEHP C1[C@@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C12CC[NH2+]CC2 ZINC000925702558 735327802 /nfs/dbraw/zinc/32/78/02/735327802.db2.gz BPVRAYQHRNCKLO-HRCADAONSA-N 2 3 277.456 1.886 10 0 CDAEHP CCC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CC1 ZINC000422743838 245205041 /nfs/dbraw/zinc/20/50/41/245205041.db2.gz RYPMMXSANNUIMY-VNQPRFMTSA-N 2 3 283.460 1.450 10 0 CDAEHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CC1 ZINC000422778773 245246569 /nfs/dbraw/zinc/24/65/69/245246569.db2.gz DZJNOHOFTZSNJH-FVQBIDKESA-N 2 3 283.460 1.450 10 0 CDAEHP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925687130 735547943 /nfs/dbraw/zinc/54/79/43/735547943.db2.gz YZQRABCYDCTAPJ-UONOGXRCSA-N 2 3 251.418 1.593 10 0 CDAEHP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925687130 735547945 /nfs/dbraw/zinc/54/79/45/735547945.db2.gz YZQRABCYDCTAPJ-UONOGXRCSA-N 2 3 251.418 1.593 10 0 CDAEHP C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647903034 391199543 /nfs/dbraw/zinc/19/95/43/391199543.db2.gz FEWDQXMJRGNBSS-HRCADAONSA-N 2 3 265.445 1.840 10 0 CDAEHP CN1CC[C@H](C[N@H+](C)Cc2ccc(C(N)=[NH2+])cc2)C1 ZINC000071189338 176064531 /nfs/dbraw/zinc/06/45/31/176064531.db2.gz NZEFQYKEVMYOPH-ZDUSSCGKSA-N 2 3 260.385 1.354 10 0 CDAEHP CN1CC[C@H](C[N@@H+](C)Cc2ccc(C(N)=[NH2+])cc2)C1 ZINC000071189338 176064532 /nfs/dbraw/zinc/06/45/32/176064532.db2.gz NZEFQYKEVMYOPH-ZDUSSCGKSA-N 2 3 260.385 1.354 10 0 CDAEHP CN1CCC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925557559 737438585 /nfs/dbraw/zinc/43/85/85/737438585.db2.gz PKUCWLAGWQASGB-MCIONIFRSA-N 2 3 253.434 1.824 10 0 CDAEHP C1[C@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C12CC[NH2+]CC2 ZINC000925702559 932929392 /nfs/dbraw/zinc/92/93/92/932929392.db2.gz BPVRAYQHRNCKLO-JYJNAYRXSA-N 2 3 277.456 1.886 10 0 CDAEHP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)CN1CCCCC1 ZINC000094087966 295969664 /nfs/dbraw/zinc/96/96/64/295969664.db2.gz CMBSZYAKXURQSG-NFOMZHRRSA-N 2 3 253.434 1.968 10 0 CDAEHP CCC[NH+]1CCC(C[NH3+])(N2CCN(CC(C)C)CC2)CC1 ZINC000055078484 519842339 /nfs/dbraw/zinc/84/23/39/519842339.db2.gz OMJPZXQPEIIGMC-UHFFFAOYSA-N 2 3 296.503 1.463 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000903460030 625995255 /nfs/dbraw/zinc/99/52/55/625995255.db2.gz UVSLBUFEFYCMCU-SLBVQIDZSA-N 2 3 281.444 1.060 10 0 CDAEHP [NH3+]C[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C(F)(F)F ZINC000903477901 626005660 /nfs/dbraw/zinc/00/56/60/626005660.db2.gz BGRBSECYESNLDG-ZNSHCXBVSA-N 2 3 265.323 1.183 10 0 CDAEHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925819689 741828596 /nfs/dbraw/zinc/82/85/96/741828596.db2.gz YFSCRNZYHKKZDK-HUUCEWRRSA-N 2 3 290.455 1.307 10 0 CDAEHP C[N@H+](CCCC[NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000925686069 740388310 /nfs/dbraw/zinc/38/83/10/740388310.db2.gz QYVVBIDKLJUQJB-AWEZNQCLSA-N 2 3 251.418 1.735 10 0 CDAEHP C[N@@H+](CCCC[NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000925686069 740388313 /nfs/dbraw/zinc/38/83/13/740388313.db2.gz QYVVBIDKLJUQJB-AWEZNQCLSA-N 2 3 251.418 1.735 10 0 CDAEHP CC[NH+](CC)CCOCCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623491235 347602855 /nfs/dbraw/zinc/60/28/55/347602855.db2.gz KJOCFJXJMHZSTO-OAHLLOKOSA-N 2 3 285.476 1.807 10 0 CDAEHP CC[NH+](CC)CCOCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623491235 347602859 /nfs/dbraw/zinc/60/28/59/347602859.db2.gz KJOCFJXJMHZSTO-OAHLLOKOSA-N 2 3 285.476 1.807 10 0 CDAEHP [NH3+]CCCOCCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000629537143 362952261 /nfs/dbraw/zinc/95/22/61/362952261.db2.gz IEORWPFTPSSFAK-JKSUJKDBSA-N 2 3 277.412 1.435 10 0 CDAEHP CC[NH+]1CCC(C[N@H+]2C[C@H](C)CNC[C@H](C)C2)CC1 ZINC000044526852 175192017 /nfs/dbraw/zinc/19/20/17/175192017.db2.gz PFDJFKWUAMOQLO-GASCZTMLSA-N 2 3 267.461 1.896 10 0 CDAEHP CC[NH+]1CCC(C[N@@H+]2C[C@H](C)CNC[C@H](C)C2)CC1 ZINC000044526852 175192019 /nfs/dbraw/zinc/19/20/19/175192019.db2.gz PFDJFKWUAMOQLO-GASCZTMLSA-N 2 3 267.461 1.896 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(CN(C)C)c1 ZINC000422800966 536596204 /nfs/dbraw/zinc/59/62/04/536596204.db2.gz ASPNUCAOESTHAJ-MRXNPFEDSA-N 2 3 279.428 1.592 10 0 CDAEHP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925694708 617715028 /nfs/dbraw/zinc/71/50/28/617715028.db2.gz SCYOBCVHGURIRP-BPUTZDHNSA-N 2 3 265.445 1.744 10 0 CDAEHP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903784442 626093688 /nfs/dbraw/zinc/09/36/88/626093688.db2.gz OUTDMSSPJALQTQ-ZACQAIPSSA-N 2 3 293.455 1.221 10 0 CDAEHP C[C@@H]1CC2(C[N@@H+]1CCCNC1CC1)CC[NH2+]CC2 ZINC000923382761 743029323 /nfs/dbraw/zinc/02/93/23/743029323.db2.gz FNDOHNODZXOUDX-CYBMUJFWSA-N 2 3 251.418 1.593 10 0 CDAEHP C[C@@H]1CC2(C[N@H+]1CCCNC1CC1)CC[NH2+]CC2 ZINC000923382761 743029337 /nfs/dbraw/zinc/02/93/37/743029337.db2.gz FNDOHNODZXOUDX-CYBMUJFWSA-N 2 3 251.418 1.593 10 0 CDAEHP C(CNC1CC1)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358874 745342895 /nfs/dbraw/zinc/34/28/95/745342895.db2.gz MBDJFNLQHIXBRX-HUUCEWRRSA-N 2 3 265.445 1.840 10 0 CDAEHP C(CNC1CC1)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358874 745342901 /nfs/dbraw/zinc/34/29/01/745342901.db2.gz MBDJFNLQHIXBRX-HUUCEWRRSA-N 2 3 265.445 1.840 10 0 CDAEHP C(C[NH2+]C1CC1)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358874 745342905 /nfs/dbraw/zinc/34/29/05/745342905.db2.gz MBDJFNLQHIXBRX-HUUCEWRRSA-N 2 3 265.445 1.840 10 0 CDAEHP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925726937 746603667 /nfs/dbraw/zinc/60/36/67/746603667.db2.gz MBWTWJNIEQSLQX-NMFUWQPSSA-N 2 3 251.418 1.482 10 0 CDAEHP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925687129 746829803 /nfs/dbraw/zinc/82/98/03/746829803.db2.gz YZQRABCYDCTAPJ-KGLIPLIRSA-N 2 3 251.418 1.593 10 0 CDAEHP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925687129 746829804 /nfs/dbraw/zinc/82/98/04/746829804.db2.gz YZQRABCYDCTAPJ-KGLIPLIRSA-N 2 3 251.418 1.593 10 0 CDAEHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925518526 746855936 /nfs/dbraw/zinc/85/59/36/746855936.db2.gz RKKCHKNQWJKIIL-OAHLLOKOSA-N 2 3 265.445 1.983 10 0 CDAEHP C[N@H+]1CC=C(CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000693724352 937250856 /nfs/dbraw/zinc/25/08/56/937250856.db2.gz SDFSYIYBGUEHNQ-QLFBSQMISA-N 2 3 263.429 1.615 10 0 CDAEHP C[N@@H+]1CC=C(CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000693724352 937250857 /nfs/dbraw/zinc/25/08/57/937250857.db2.gz SDFSYIYBGUEHNQ-QLFBSQMISA-N 2 3 263.429 1.615 10 0 CDAEHP Cc1c[nH+]ccc1N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664195501 413137002 /nfs/dbraw/zinc/13/70/02/413137002.db2.gz MHYRHXUCSPCFGB-AWEZNQCLSA-N 2 3 264.417 1.496 10 0 CDAEHP Cc1c[nH+]ccc1N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664195501 413137006 /nfs/dbraw/zinc/13/70/06/413137006.db2.gz MHYRHXUCSPCFGB-AWEZNQCLSA-N 2 3 264.417 1.496 10 0 CDAEHP C[C@@H]1C[C@H](CN2CCO[C@@H](CCC[NH+](C)C)C2)CC[NH2+]1 ZINC000663514371 414320102 /nfs/dbraw/zinc/32/01/02/414320102.db2.gz QCNVEJDUSTYTKT-OAGGEKHMSA-N 2 3 283.460 1.417 10 0 CDAEHP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000353690082 279109103 /nfs/dbraw/zinc/10/91/03/279109103.db2.gz RGKCKKQTFNNGMR-GVDBMIGSSA-N 2 3 297.487 1.807 10 0 CDAEHP C([NH2+][C@H]1CCNC12CCC2)C1CC[NH+](C2CC2)CC1 ZINC000925658869 752969090 /nfs/dbraw/zinc/96/90/90/752969090.db2.gz JTOPTYQZBIVSHS-HNNXBMFYSA-N 2 3 263.429 1.735 10 0 CDAEHP C[C@]12C[NH2+]C[C@@]1(C)CN(CCC1CC[NH2+]CC1)C2 ZINC000629594042 363112888 /nfs/dbraw/zinc/11/28/88/363112888.db2.gz JZVWPVMUMOPCSM-GASCZTMLSA-N 2 3 251.418 1.308 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000234723120 367620087 /nfs/dbraw/zinc/62/00/87/367620087.db2.gz UHTSQCQIPGIXBA-HUUCEWRRSA-N 2 3 271.449 1.452 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000234723120 367620092 /nfs/dbraw/zinc/62/00/92/367620092.db2.gz UHTSQCQIPGIXBA-HUUCEWRRSA-N 2 3 271.449 1.452 10 0 CDAEHP CCC[NH+]1CCC(N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000658110267 413211522 /nfs/dbraw/zinc/21/15/22/413211522.db2.gz WYDHPZCLKRBDOV-INIZCTEOSA-N 2 3 298.519 1.722 10 0 CDAEHP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000353690081 276327939 /nfs/dbraw/zinc/32/79/39/276327939.db2.gz RGKCKKQTFNNGMR-BRWVUGGUSA-N 2 3 297.487 1.807 10 0 CDAEHP C[C@@H]1C[C@H](C[N@@H+]2CCN(c3ccncc3)[C@@H](C)C2)CC[NH2+]1 ZINC000903937251 626155399 /nfs/dbraw/zinc/15/53/99/626155399.db2.gz GFQIBTKHAXXECB-OWCLPIDISA-N 2 3 288.439 1.980 10 0 CDAEHP C[C@@H]1C[C@H](C[N@H+]2CCN(c3ccncc3)[C@@H](C)C2)CC[NH2+]1 ZINC000903937251 626155400 /nfs/dbraw/zinc/15/54/00/626155400.db2.gz GFQIBTKHAXXECB-OWCLPIDISA-N 2 3 288.439 1.980 10 0 CDAEHP [NH3+]C[C@@]1(c2ccccc2)C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000925881230 754504015 /nfs/dbraw/zinc/50/40/15/754504015.db2.gz GLVFQZFDWMVZLH-NUIAMIPMSA-N 2 3 285.435 1.918 10 0 CDAEHP [NH3+]C1CCC([NH2+]Cc2nc3c(s2)CNCC3)CC1 ZINC000853245707 755551200 /nfs/dbraw/zinc/55/12/00/755551200.db2.gz BTPLITMSSBLNCD-UHFFFAOYSA-N 2 3 266.414 1.148 10 0 CDAEHP [NH3+][C@H]1C[C@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925726929 757109434 /nfs/dbraw/zinc/10/94/34/757109434.db2.gz MBWTWJNIEQSLQX-CYUUQNCZSA-N 2 3 251.418 1.482 10 0 CDAEHP CN1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@H]2CCC[C@H]21 ZINC000643522267 361014504 /nfs/dbraw/zinc/01/45/04/361014504.db2.gz KSMVUWHACJKEBI-APIJFGDWSA-N 2 3 251.418 1.591 10 0 CDAEHP CN(CCCC1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647905001 391204619 /nfs/dbraw/zinc/20/46/19/391204619.db2.gz BSBSXHAQOWCWCG-XYPWUTKMSA-N 2 3 265.445 1.981 10 0 CDAEHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000655804912 414198546 /nfs/dbraw/zinc/19/85/46/414198546.db2.gz FXGIHBDHYRGCAX-BYNSBNAKSA-N 2 3 251.418 1.543 10 0 CDAEHP C[NH2+]Cc1ccccc1C[N@H+](C)C[C@@H]1CCN(C)C1 ZINC000071192078 176073173 /nfs/dbraw/zinc/07/31/73/176073173.db2.gz RSULYOSHTMPYCF-CQSZACIVSA-N 2 3 261.413 1.790 10 0 CDAEHP C[NH2+]Cc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C)C1 ZINC000071192078 176073175 /nfs/dbraw/zinc/07/31/75/176073175.db2.gz RSULYOSHTMPYCF-CQSZACIVSA-N 2 3 261.413 1.790 10 0 CDAEHP CC[C@@H](CC[NH3+])N1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000049332139 522497879 /nfs/dbraw/zinc/49/78/79/522497879.db2.gz SSEXYUMLSFTXDC-KRWDZBQOSA-N 2 3 296.503 1.607 10 0 CDAEHP CC[C@@H](CCN)[N@@H+]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000049332139 522497884 /nfs/dbraw/zinc/49/78/84/522497884.db2.gz SSEXYUMLSFTXDC-KRWDZBQOSA-N 2 3 296.503 1.607 10 0 CDAEHP CC[C@@H](CCN)[N@H+]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000049332139 522497891 /nfs/dbraw/zinc/49/78/91/522497891.db2.gz SSEXYUMLSFTXDC-KRWDZBQOSA-N 2 3 296.503 1.607 10 0 CDAEHP C(C[C@H]1CC[NH2+]C1)[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925694711 617715192 /nfs/dbraw/zinc/71/51/92/617715192.db2.gz SCYOBCVHGURIRP-VNQPRFMTSA-N 2 3 265.445 1.744 10 0 CDAEHP CCN1CC[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000925846345 617881366 /nfs/dbraw/zinc/88/13/66/617881366.db2.gz SBKCCNKHBQDPQY-IRXDYDNUSA-N 2 3 296.503 1.382 10 0 CDAEHP CC(C)(C)N1CCC([NH2+]CCOCCC[NH3+])CC1 ZINC000629399878 361937067 /nfs/dbraw/zinc/93/70/67/361937067.db2.gz XSGTYKMZWBQQCN-UHFFFAOYSA-N 2 3 257.422 1.204 10 0 CDAEHP COC[C@H](CCC[NH3+])NC1CC[NH+](C2CCCC2)CC1 ZINC000422829257 245309326 /nfs/dbraw/zinc/30/93/26/245309326.db2.gz BOMUZMLSOIMMOY-HNNXBMFYSA-N 2 3 283.460 1.737 10 0 CDAEHP C[NH+](C)CCC[C@@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000662327829 412900186 /nfs/dbraw/zinc/90/01/86/412900186.db2.gz WLPCCOKHXNTKFR-MRXNPFEDSA-N 2 3 283.460 1.419 10 0 CDAEHP CC1(C)[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)[C@@H]2CCCN[C@@H]21 ZINC000925704283 617774298 /nfs/dbraw/zinc/77/42/98/617774298.db2.gz FPZBPQPZTGXDIE-BARDWOONSA-N 2 3 265.445 1.885 10 0 CDAEHP [NH3+]C[C@@]1(c2ccccc2)C[C@H](N[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000925881623 617966390 /nfs/dbraw/zinc/96/63/90/617966390.db2.gz JYFKUMJBEXXPFH-FPCVCCKLSA-N 2 3 259.397 1.515 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000903452250 626000746 /nfs/dbraw/zinc/00/07/46/626000746.db2.gz KFDZJLUWSFIKAL-SNPRPXQTSA-N 2 3 251.418 1.163 10 0 CDAEHP [NH3+][C@H]1C[C@@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925726939 773886241 /nfs/dbraw/zinc/88/62/41/773886241.db2.gz MBWTWJNIEQSLQX-PMOUVXMZSA-N 2 3 251.418 1.482 10 0 CDAEHP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H]1CCCCN1 ZINC000423514195 359836162 /nfs/dbraw/zinc/83/61/62/359836162.db2.gz SLXFAXDUEXUXES-VXLLPVPCSA-N 2 3 294.487 1.323 10 0 CDAEHP CCC[NH2+]CCC[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654954 519913363 /nfs/dbraw/zinc/91/33/63/519913363.db2.gz POUKWJYMIQRTOP-MRXNPFEDSA-N 2 3 284.492 1.334 10 0 CDAEHP CC[C@@H](C)N1CCN(C2(C[NH3+])CC[NH+](CC)CC2)CC1 ZINC000055064702 522118009 /nfs/dbraw/zinc/11/80/09/522118009.db2.gz HZPRETVRDDIUKV-OAHLLOKOSA-N 2 3 282.476 1.216 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]CCCN1CCCC[C@@H]1C ZINC000234716431 536595179 /nfs/dbraw/zinc/59/51/79/536595179.db2.gz UVDZLUJBZVDJTJ-LSDHHAIUSA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@@H](CCC[NH3+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000234716431 536595181 /nfs/dbraw/zinc/59/51/81/536595181.db2.gz UVDZLUJBZVDJTJ-LSDHHAIUSA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@@H](CCC[NH3+])NCCC[N@H+]1CCCC[C@@H]1C ZINC000234716431 536595182 /nfs/dbraw/zinc/59/51/82/536595182.db2.gz UVDZLUJBZVDJTJ-LSDHHAIUSA-N 2 3 271.449 1.594 10 0 CDAEHP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000422744486 283318411 /nfs/dbraw/zinc/31/84/11/283318411.db2.gz SZSYJJALABIONI-LSDHHAIUSA-N 2 3 253.434 1.825 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000903460871 625995894 /nfs/dbraw/zinc/99/58/94/625995894.db2.gz KNCBYTQPNCZDIY-JKJDWNRSSA-N 2 3 281.444 1.203 10 0 CDAEHP C[NH2+]CCOCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000629392038 361907586 /nfs/dbraw/zinc/90/75/86/361907586.db2.gz IBRYDAIPLROEJK-UHFFFAOYSA-N 2 3 257.422 1.075 10 0 CDAEHP N[C@H]1CCCCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000575914956 317037106 /nfs/dbraw/zinc/03/71/06/317037106.db2.gz ZOTFHHRYQDJMQO-SJJHQCBESA-N 2 3 294.487 1.452 10 0 CDAEHP N[C@H]1CCCCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000575914956 317037111 /nfs/dbraw/zinc/03/71/11/317037111.db2.gz ZOTFHHRYQDJMQO-SJJHQCBESA-N 2 3 294.487 1.452 10 0 CDAEHP C(C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)CN1CC[NH2+]CC1 ZINC000925688773 617683935 /nfs/dbraw/zinc/68/39/35/617683935.db2.gz FLUUTQHQRFZTAN-IAGOWNOFSA-N 2 3 294.487 1.040 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000925783106 617700016 /nfs/dbraw/zinc/70/00/16/617700016.db2.gz CNISAVRANSJTNI-KHMAMNHCSA-N 2 3 251.418 1.304 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925791554 787843587 /nfs/dbraw/zinc/84/35/87/787843587.db2.gz AZFXHPAHWSDDAN-MWQQHZPXSA-N 2 3 279.472 1.990 10 0 CDAEHP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]2CCC[C@H]21 ZINC000423358222 290223681 /nfs/dbraw/zinc/22/36/81/290223681.db2.gz BLBXHSBWHGNISQ-VYDRJRHOSA-N 2 3 251.418 1.719 10 0 CDAEHP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCNC1 ZINC000643479621 375850931 /nfs/dbraw/zinc/85/09/31/375850931.db2.gz FCEZQRKUOYNRIO-KGLIPLIRSA-N 2 3 253.434 1.696 10 0 CDAEHP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCNC23CCCC3)CC[NH2+]1 ZINC000647553481 391000721 /nfs/dbraw/zinc/00/07/21/391000721.db2.gz BDBLNSRAZHCQHC-HZSPNIEDSA-N 2 3 251.418 1.639 10 0 CDAEHP [NH3+]CC1(CC[NH2+]Cc2ccc3c(c2)CNCC3)CC1 ZINC000656785700 413660093 /nfs/dbraw/zinc/66/00/93/413660093.db2.gz IMAGTRZUNSWUQH-UHFFFAOYSA-N 2 3 259.397 1.551 10 0 CDAEHP CC(C)[NH2+]CCC[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654957 519721282 /nfs/dbraw/zinc/72/12/82/519721282.db2.gz WDLJNDPWLXGJNH-INIZCTEOSA-N 2 3 284.492 1.332 10 0 CDAEHP C[C@@H]1C[C@@H](C[N@@H+]2CCN(c3ccncc3)[C@H](C)C2)CC[NH2+]1 ZINC000903937250 626155199 /nfs/dbraw/zinc/15/51/99/626155199.db2.gz GFQIBTKHAXXECB-OAGGEKHMSA-N 2 3 288.439 1.980 10 0 CDAEHP C[C@@H]1C[C@@H](C[N@H+]2CCN(c3ccncc3)[C@H](C)C2)CC[NH2+]1 ZINC000903937250 626155203 /nfs/dbraw/zinc/15/52/03/626155203.db2.gz GFQIBTKHAXXECB-OAGGEKHMSA-N 2 3 288.439 1.980 10 0 CDAEHP C(N1CCC([C@@H]2CCC[NH2+]CC2)CC1)[C@@]12C[C@@H]1C[NH2+]C2 ZINC000904417088 626287103 /nfs/dbraw/zinc/28/71/03/626287103.db2.gz ZOQAVZDUUUCIJO-OIISXLGYSA-N 2 3 277.456 1.698 10 0 CDAEHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925700199 791672847 /nfs/dbraw/zinc/67/28/47/791672847.db2.gz NKSNFHWAWUUOER-MGPQQGTHSA-N 2 3 251.418 1.626 10 0 CDAEHP C[NH2+]CCOCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000629531616 362162652 /nfs/dbraw/zinc/16/26/52/362162652.db2.gz RLEDWTHEYMKTCD-KGLIPLIRSA-N 2 3 257.422 1.123 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000665299144 414044853 /nfs/dbraw/zinc/04/48/53/414044853.db2.gz HKCNXEHOPZYEQH-JKSUJKDBSA-N 2 3 283.460 1.452 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299144 414044859 /nfs/dbraw/zinc/04/48/59/414044859.db2.gz HKCNXEHOPZYEQH-JKSUJKDBSA-N 2 3 283.460 1.452 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299144 414044866 /nfs/dbraw/zinc/04/48/66/414044866.db2.gz HKCNXEHOPZYEQH-JKSUJKDBSA-N 2 3 283.460 1.452 10 0 CDAEHP C[C@@H]1C[C@@H](CN2CCO[C@H](CCC[NH+](C)C)C2)CC[NH2+]1 ZINC000663514372 414322162 /nfs/dbraw/zinc/32/21/62/414322162.db2.gz QCNVEJDUSTYTKT-OWCLPIDISA-N 2 3 283.460 1.417 10 0 CDAEHP C[NH2+]Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000650755358 398179967 /nfs/dbraw/zinc/17/99/67/398179967.db2.gz CPBISOBXNBKGRU-UHOFOFEASA-N 2 3 277.412 1.248 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)CN1CCCC1 ZINC000234790637 536850437 /nfs/dbraw/zinc/85/04/37/536850437.db2.gz ZYPOBAQYCUABPC-KBPBESRZSA-N 2 3 257.422 1.062 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@H](C)C[NH+]1CCCC1 ZINC000234790637 536850440 /nfs/dbraw/zinc/85/04/40/536850440.db2.gz ZYPOBAQYCUABPC-KBPBESRZSA-N 2 3 257.422 1.062 10 0 CDAEHP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCNC1 ZINC000643479623 375851237 /nfs/dbraw/zinc/85/12/37/375851237.db2.gz FCEZQRKUOYNRIO-ZIAGYGMSSA-N 2 3 253.434 1.696 10 0 CDAEHP C[C@@H](NCCC[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000423175919 392414168 /nfs/dbraw/zinc/41/41/68/392414168.db2.gz FQASCMBZFDFXES-CYBMUJFWSA-N 2 3 265.401 1.626 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000925786540 617709801 /nfs/dbraw/zinc/70/98/01/617709801.db2.gz PMZWDYMQGYSENW-KBMXLJTQSA-N 2 3 261.413 1.912 10 0 CDAEHP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)[C@@H]2CCCN[C@@H]21 ZINC000925880904 617964337 /nfs/dbraw/zinc/96/43/37/617964337.db2.gz WRQDITLOHYETQC-XHJNMGKDSA-N 2 3 251.418 1.480 10 0 CDAEHP [NH3+]CCCOCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925718221 813875126 /nfs/dbraw/zinc/87/51/26/813875126.db2.gz NEGSBLCQWZBLDG-CABCVRRESA-N 2 3 269.433 1.110 10 0 CDAEHP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925726935 932933716 /nfs/dbraw/zinc/93/37/16/932933716.db2.gz MBWTWJNIEQSLQX-NGFQHRJXSA-N 2 3 251.418 1.482 10 0 CDAEHP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCOCCC[NH3+] ZINC000629541141 362965008 /nfs/dbraw/zinc/96/50/08/362965008.db2.gz WPOJXLIGIXUIHD-UONOGXRCSA-N 2 3 257.422 1.252 10 0 CDAEHP C[NH+](C)CCC[C@H]1CN(CCCC2CC[NH2+]CC2)CCO1 ZINC000662327790 412900150 /nfs/dbraw/zinc/90/01/50/412900150.db2.gz VJVIDSLKUJDLES-KRWDZBQOSA-N 2 3 297.487 1.809 10 0 CDAEHP CC(C)C[C@H](N)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249820 271183745 /nfs/dbraw/zinc/18/37/45/271183745.db2.gz YZQNRTRDXJNHFX-JKSUJKDBSA-N 2 3 283.460 1.450 10 0 CDAEHP CCC[NH2+][C@H](C)CCCCN1CCN(CC[NH+](C)C)CC1 ZINC000061643816 520062648 /nfs/dbraw/zinc/06/26/48/520062648.db2.gz LTZFLCQRKYHUTA-QGZVFWFLSA-N 2 3 298.519 1.724 10 0 CDAEHP COCC1(C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC[NH2+]CC1 ZINC000925701233 617750218 /nfs/dbraw/zinc/75/02/18/617750218.db2.gz VYGBSLAZIIOKNF-QLFBSQMISA-N 2 3 295.471 1.369 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000903461074 625996023 /nfs/dbraw/zinc/99/60/23/625996023.db2.gz OJZGVTURDIQHOI-YXMSTPNBSA-N 2 3 281.444 1.060 10 0 CDAEHP [NH3+]CCCOCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925718225 820884228 /nfs/dbraw/zinc/88/42/28/820884228.db2.gz NEGSBLCQWZBLDG-HUUCEWRRSA-N 2 3 269.433 1.110 10 0 CDAEHP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@H]1CCCCN1 ZINC000423514194 359834679 /nfs/dbraw/zinc/83/46/79/359834679.db2.gz SLXFAXDUEXUXES-RDHHWEPZSA-N 2 3 294.487 1.323 10 0 CDAEHP C[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CCN1C ZINC000925840407 617871008 /nfs/dbraw/zinc/87/10/08/617871008.db2.gz AAOYFNXEMXMMGR-LXTVHRRPSA-N 2 3 251.418 1.591 10 0 CDAEHP [NH3+]C[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1C(F)(F)F ZINC000903477898 626005690 /nfs/dbraw/zinc/00/56/90/626005690.db2.gz BGRBSECYESNLDG-RCWTZXSCSA-N 2 3 265.323 1.183 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925796456 828534429 /nfs/dbraw/zinc/53/44/29/828534429.db2.gz RKAHCKIPNKDRCM-ZSAUSMIDSA-N 2 3 265.445 1.598 10 0 CDAEHP C1=C(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC[NH2+]C1 ZINC000925699676 824570901 /nfs/dbraw/zinc/57/09/01/824570901.db2.gz PJHYMEONDLXNJB-HZPDHXFCSA-N 2 3 263.429 1.664 10 0 CDAEHP C1=C(C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC[NH2+]C1 ZINC000925699676 824570920 /nfs/dbraw/zinc/57/09/20/824570920.db2.gz PJHYMEONDLXNJB-HZPDHXFCSA-N 2 3 263.429 1.664 10 0 CDAEHP [NH3+]C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000872152391 824895528 /nfs/dbraw/zinc/89/55/28/824895528.db2.gz QOWARTVFSPZFQF-TUAOUCFPSA-N 2 3 279.350 1.445 10 0 CDAEHP CCO[C@H](CC[NH+](C)C)CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925540433 825086063 /nfs/dbraw/zinc/08/60/63/825086063.db2.gz GJFDLSYOOIJBQW-RDBSUJKOSA-N 2 3 269.433 1.203 10 0 CDAEHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925540433 825086074 /nfs/dbraw/zinc/08/60/74/825086074.db2.gz GJFDLSYOOIJBQW-RDBSUJKOSA-N 2 3 269.433 1.203 10 0 CDAEHP C[C@@H](CCCC[NH3+])[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925699710 827112427 /nfs/dbraw/zinc/11/24/27/827112427.db2.gz LVKUAMLFWKNGSN-CRWXNKLISA-N 2 3 253.434 1.870 10 0 CDAEHP [NH3+]C1CCN(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000925815840 827750806 /nfs/dbraw/zinc/75/08/06/827750806.db2.gz AONREFOITLYSCE-IXDOHACOSA-N 2 3 294.487 1.310 10 0 CDAEHP CC(C)C[C@H](N)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650724980 398163749 /nfs/dbraw/zinc/16/37/49/398163749.db2.gz QRXZTSLADRBBKM-CAOSSQGBSA-N 2 3 283.460 1.721 10 0 CDAEHP CC(C)C[C@H](N)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650724980 398163753 /nfs/dbraw/zinc/16/37/53/398163753.db2.gz QRXZTSLADRBBKM-CAOSSQGBSA-N 2 3 283.460 1.721 10 0 CDAEHP C[NH2+]CCOCCN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000629572642 363029351 /nfs/dbraw/zinc/02/93/51/363029351.db2.gz ZSWVAMSQTZCZJJ-UHFFFAOYSA-N 2 3 277.412 1.000 10 0 CDAEHP C[C@H](C[NH2+]C1CCC([NH3+])CC1)CN1CCCCC1 ZINC000094087969 360311020 /nfs/dbraw/zinc/31/10/20/360311020.db2.gz CMBSZYAKXURQSG-WLYUNCDWSA-N 2 3 253.434 1.968 10 0 CDAEHP C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647903033 391199315 /nfs/dbraw/zinc/19/93/15/391199315.db2.gz FEWDQXMJRGNBSS-ARFHVFGLSA-N 2 3 265.445 1.840 10 0 CDAEHP C(CC1CC[NH2+]CC1)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000647987672 391637894 /nfs/dbraw/zinc/63/78/94/391637894.db2.gz PNPKKROLKUNBHT-INIZCTEOSA-N 2 3 265.445 1.842 10 0 CDAEHP CC1([NH3+])CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923344568 833212456 /nfs/dbraw/zinc/21/24/56/833212456.db2.gz FHRILBDZCVWQKG-AGUYFDCRSA-N 2 3 251.418 1.720 10 0 CDAEHP [NH3+]CC1(CC[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925701814 829853209 /nfs/dbraw/zinc/85/32/09/829853209.db2.gz GCVLIOMLAXTKJY-CABCVRRESA-N 2 3 265.445 1.873 10 0 CDAEHP C[NH+](C)CCCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925521597 835453067 /nfs/dbraw/zinc/45/30/67/835453067.db2.gz ONYBFTUFVZJBTN-IHRRRGAJSA-N 2 3 253.434 1.694 10 0 CDAEHP C[C@@H]([NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C1CC[NH2+]CC1 ZINC000925725874 932932642 /nfs/dbraw/zinc/93/26/42/932932642.db2.gz CZCVYUGJXGMMOA-REBRKWNGSA-N 2 3 265.445 1.741 10 0 CDAEHP C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623562770 347634547 /nfs/dbraw/zinc/63/45/47/347634547.db2.gz BVXWLCMNADHNJU-JKSUJKDBSA-N 2 3 298.519 1.721 10 0 CDAEHP C[C@@H](CN(C)CCC[NH+](C)C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623562770 347634550 /nfs/dbraw/zinc/63/45/50/347634550.db2.gz BVXWLCMNADHNJU-JKSUJKDBSA-N 2 3 298.519 1.721 10 0 CDAEHP [NH3+]CCCOCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000629536070 362949848 /nfs/dbraw/zinc/94/98/48/362949848.db2.gz DZJCZSYDFYFRPU-QLFBSQMISA-N 2 3 269.433 1.252 10 0 CDAEHP CCC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CC1 ZINC000422743837 245204045 /nfs/dbraw/zinc/20/40/45/245204045.db2.gz RYPMMXSANNUIMY-NUEKZKHPSA-N 2 3 283.460 1.450 10 0 CDAEHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000422780973 285185106 /nfs/dbraw/zinc/18/51/06/285185106.db2.gz ICRLRDCIYFMZIH-LSDHHAIUSA-N 2 3 253.434 1.825 10 0 CDAEHP C(C1CC[NH2+]CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647479721 390966862 /nfs/dbraw/zinc/96/68/62/390966862.db2.gz QZEYLWLQSLSBHY-GJZGRUSLSA-N 2 3 251.418 1.450 10 0 CDAEHP CN1CC[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]2CCC[C@@H]21 ZINC000353669353 156002900 /nfs/dbraw/zinc/00/29/00/156002900.db2.gz IXGGQFFVYGDFLJ-KFWWJZLASA-N 2 3 269.433 1.027 10 0 CDAEHP COCCC1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCNCC1 ZINC000903937464 626155632 /nfs/dbraw/zinc/15/56/32/626155632.db2.gz LITSHFJXUFFCMT-GOOCMWNKSA-N 2 3 281.444 1.265 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]CCCN1CCCC[C@H]1C ZINC000300103597 364124186 /nfs/dbraw/zinc/12/41/86/364124186.db2.gz UVDZLUJBZVDJTJ-HUUCEWRRSA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@@H](CCC[NH3+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000300103597 364124190 /nfs/dbraw/zinc/12/41/90/364124190.db2.gz UVDZLUJBZVDJTJ-HUUCEWRRSA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@@H](CCC[NH3+])NCCC[N@H+]1CCCC[C@H]1C ZINC000300103597 364124193 /nfs/dbraw/zinc/12/41/93/364124193.db2.gz UVDZLUJBZVDJTJ-HUUCEWRRSA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000423039166 392293504 /nfs/dbraw/zinc/29/35/04/392293504.db2.gz DUBDTCVITNIDQG-XHSDSOJGSA-N 2 3 297.487 1.983 10 0 CDAEHP COC[C@H](CCC[NH3+])N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423039166 392293510 /nfs/dbraw/zinc/29/35/10/392293510.db2.gz DUBDTCVITNIDQG-XHSDSOJGSA-N 2 3 297.487 1.983 10 0 CDAEHP COC[C@H](CCC[NH3+])N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423039166 392293515 /nfs/dbraw/zinc/29/35/15/392293515.db2.gz DUBDTCVITNIDQG-XHSDSOJGSA-N 2 3 297.487 1.983 10 0 CDAEHP C[C@@H]1C[C@H](C[N@@H+]2CCN(c3ccncc3)[C@H](C)C2)CC[NH2+]1 ZINC000903937249 626155141 /nfs/dbraw/zinc/15/51/41/626155141.db2.gz GFQIBTKHAXXECB-BZUAXINKSA-N 2 3 288.439 1.980 10 0 CDAEHP C[C@@H]1C[C@H](C[N@H+]2CCN(c3ccncc3)[C@H](C)C2)CC[NH2+]1 ZINC000903937249 626155143 /nfs/dbraw/zinc/15/51/43/626155143.db2.gz GFQIBTKHAXXECB-BZUAXINKSA-N 2 3 288.439 1.980 10 0 CDAEHP C[NH+](C)CCOCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925648371 847479375 /nfs/dbraw/zinc/47/93/75/847479375.db2.gz ASAIJWICIJFYEO-CVEARBPZSA-N 2 3 283.460 1.323 10 0 CDAEHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650748193 398175024 /nfs/dbraw/zinc/17/50/24/398175024.db2.gz PQKVCEUVJHFLGB-LLVKDONJSA-N 2 3 262.401 1.628 10 0 CDAEHP c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2c(c1)CNCC2 ZINC000662272016 423823181 /nfs/dbraw/zinc/82/31/81/423823181.db2.gz BGKLCJPJXSHKTH-GASCZTMLSA-N 2 3 285.435 1.764 10 0 CDAEHP c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2c(c1)CNCC2 ZINC000662272016 423823199 /nfs/dbraw/zinc/82/31/99/423823199.db2.gz BGKLCJPJXSHKTH-GASCZTMLSA-N 2 3 285.435 1.764 10 0 CDAEHP CC(C)C[C@@H](N)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249818 271183251 /nfs/dbraw/zinc/18/32/51/271183251.db2.gz YZQNRTRDXJNHFX-HZPDHXFCSA-N 2 3 283.460 1.450 10 0 CDAEHP C[C@H](C[NH3+])CN1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000049332125 524308389 /nfs/dbraw/zinc/30/83/89/524308389.db2.gz FOFRCXFTBHCQIZ-MRXNPFEDSA-N 2 3 282.476 1.075 10 0 CDAEHP C(C[NH2+][C@@H]1CCNC12CCC2)CC1CC[NH2+]CC1 ZINC000903473092 626004526 /nfs/dbraw/zinc/00/45/26/626004526.db2.gz ZRRRTRFUGKAJDC-CQSZACIVSA-N 2 3 251.418 1.640 10 0 CDAEHP C(CCN[C@H]1CC[NH2+]C12CCCC2)CCN1CC[NH2+]CC1 ZINC000925842899 698297289 /nfs/dbraw/zinc/29/72/89/698297289.db2.gz OKBFAMUQFXVHGM-INIZCTEOSA-N 2 3 294.487 1.326 10 0 CDAEHP NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925882574 849055912 /nfs/dbraw/zinc/05/59/12/849055912.db2.gz QYPMCYJKVSNLMG-QSPRXWTASA-N 2 3 273.424 1.763 10 0 CDAEHP CC1(C)CNCC[C@@H]1[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923368339 850291533 /nfs/dbraw/zinc/29/15/33/850291533.db2.gz ATRDWSQRAJBHPS-DKUMPPAJSA-N 2 3 265.445 1.885 10 0 CDAEHP CN1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@@H]2CCC[C@@H]21 ZINC000643522270 361015170 /nfs/dbraw/zinc/01/51/70/361015170.db2.gz KSMVUWHACJKEBI-QPSCCSFWSA-N 2 3 251.418 1.591 10 0 CDAEHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CC1 ZINC000422778771 285185149 /nfs/dbraw/zinc/18/51/49/285185149.db2.gz DZJNOHOFTZSNJH-CWRNSKLLSA-N 2 3 283.460 1.450 10 0 CDAEHP CN(C)C[C@H]1CC[N@H+](CCCN2CC[C@H](C[NH+](C)C)C2)C1 ZINC000158147528 289302124 /nfs/dbraw/zinc/30/21/24/289302124.db2.gz SFHWDARMWCESNO-IAGOWNOFSA-N 2 3 296.503 1.144 10 0 CDAEHP CN(C)C[C@H]1CC[N@@H+](CCCN2CC[C@H](C[NH+](C)C)C2)C1 ZINC000158147528 289302127 /nfs/dbraw/zinc/30/21/27/289302127.db2.gz SFHWDARMWCESNO-IAGOWNOFSA-N 2 3 296.503 1.144 10 0 CDAEHP C[NH+](C)C[C@H]1CCN(CCCN2CC[C@H](C[NH+](C)C)C2)C1 ZINC000158147528 289302129 /nfs/dbraw/zinc/30/21/29/289302129.db2.gz SFHWDARMWCESNO-IAGOWNOFSA-N 2 3 296.503 1.144 10 0 CDAEHP [NH3+]C1CCN(CCN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925817379 705352646 /nfs/dbraw/zinc/35/26/46/705352646.db2.gz QYGRALZJDCUCGE-IRXDYDNUSA-N 2 3 294.487 1.167 10 0 CDAEHP C[NH+](C)CCC[C@@H]1CN(CCCCCC[NH3+])CCO1 ZINC000852762654 705439162 /nfs/dbraw/zinc/43/91/62/705439162.db2.gz SHCQESKKRWEACF-OAHLLOKOSA-N 2 3 271.449 1.548 10 0 CDAEHP CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923495055 711665496 /nfs/dbraw/zinc/66/54/96/711665496.db2.gz SNYXCOOMDDGFCV-SJORKVTESA-N 2 3 296.503 1.319 10 0 CDAEHP CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923495055 711665498 /nfs/dbraw/zinc/66/54/98/711665498.db2.gz SNYXCOOMDDGFCV-SJORKVTESA-N 2 3 296.503 1.319 10 0 CDAEHP CCN1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925840167 711745496 /nfs/dbraw/zinc/74/54/96/711745496.db2.gz HOBGVBYQIGPQED-HUUCEWRRSA-N 2 3 251.418 1.593 10 0 CDAEHP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCCNC2)CC[NH2+]CC1 ZINC000423555923 359856675 /nfs/dbraw/zinc/85/66/75/359856675.db2.gz MDJGLUNNSNURSV-KBPBESRZSA-N 2 3 297.443 1.040 10 0 CDAEHP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000643453722 370580522 /nfs/dbraw/zinc/58/05/22/370580522.db2.gz VTPJKKOXGLRHJZ-DZGCQCFKSA-N 2 3 253.434 1.696 10 0 CDAEHP CCC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CC1 ZINC000422743835 245205766 /nfs/dbraw/zinc/20/57/66/245205766.db2.gz RYPMMXSANNUIMY-CWRNSKLLSA-N 2 3 283.460 1.450 10 0 CDAEHP C[C@@H](N)C[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233485 413958621 /nfs/dbraw/zinc/95/86/21/413958621.db2.gz IWOSVJSUGFEQGW-ZIAGYGMSSA-N 2 3 283.460 1.593 10 0 CDAEHP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000422780970 279257011 /nfs/dbraw/zinc/25/70/11/279257011.db2.gz ICRLRDCIYFMZIH-CABCVRRESA-N 2 3 253.434 1.825 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925791555 617717400 /nfs/dbraw/zinc/71/74/00/617717400.db2.gz AZFXHPAHWSDDAN-MXASKKJJSA-N 2 3 279.472 1.990 10 0 CDAEHP CCN(CC)C[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903443641 625997552 /nfs/dbraw/zinc/99/75/52/625997552.db2.gz GJDUOBPQPBPIIS-KFWWJZLASA-N 2 3 253.434 1.778 10 0 CDAEHP CCN(CC)C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903443641 625997554 /nfs/dbraw/zinc/99/75/54/625997554.db2.gz GJDUOBPQPBPIIS-KFWWJZLASA-N 2 3 253.434 1.778 10 0 CDAEHP CNC[C@](C)(O)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158236 711969879 /nfs/dbraw/zinc/96/98/79/711969879.db2.gz UGNWDKRQCBFEKU-PVAVHDDUSA-N 2 3 297.487 1.576 10 0 CDAEHP CNC[C@](C)(O)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158236 711969881 /nfs/dbraw/zinc/96/98/81/711969881.db2.gz UGNWDKRQCBFEKU-PVAVHDDUSA-N 2 3 297.487 1.576 10 0 CDAEHP C[NH2+]C[C@](C)(O)CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158236 711969882 /nfs/dbraw/zinc/96/98/82/711969882.db2.gz UGNWDKRQCBFEKU-PVAVHDDUSA-N 2 3 297.487 1.576 10 0 CDAEHP C[NH2+]Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000650755357 398180230 /nfs/dbraw/zinc/18/02/30/398180230.db2.gz CPBISOBXNBKGRU-DAXOMENPSA-N 2 3 277.412 1.248 10 0 CDAEHP C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)C1CC[NH2+]CC1 ZINC000647902761 391200454 /nfs/dbraw/zinc/20/04/54/391200454.db2.gz BZAFXYOVHLYYKG-CVEARBPZSA-N 2 3 265.445 1.840 10 0 CDAEHP CC1(C)[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)[C@@H]2CCCN[C@@H]21 ZINC000925704285 617775144 /nfs/dbraw/zinc/77/51/44/617775144.db2.gz FPZBPQPZTGXDIE-XQLPTFJDSA-N 2 3 265.445 1.885 10 0 CDAEHP CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000849047073 969434934 /nfs/dbraw/zinc/43/49/34/969434934.db2.gz PCASYVSCRMSHGU-HNNXBMFYSA-N 2 3 297.491 1.563 10 0 CDAEHP CCN1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+](C)CC(C)C ZINC000849047073 969434940 /nfs/dbraw/zinc/43/49/40/969434940.db2.gz PCASYVSCRMSHGU-HNNXBMFYSA-N 2 3 297.491 1.563 10 0 CDAEHP C[NH2+]CCOCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000629531769 362162562 /nfs/dbraw/zinc/16/25/62/362162562.db2.gz XQKIPLVDNAVEGD-QLFBSQMISA-N 2 3 269.433 1.123 10 0 CDAEHP C[C@H](N)C[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233482 413956300 /nfs/dbraw/zinc/95/63/00/413956300.db2.gz IWOSVJSUGFEQGW-KBPBESRZSA-N 2 3 283.460 1.593 10 0 CDAEHP C[C@H](C[C@H](C)N)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233484 413959589 /nfs/dbraw/zinc/95/95/89/413959589.db2.gz IWOSVJSUGFEQGW-UONOGXRCSA-N 2 3 283.460 1.593 10 0 CDAEHP Cc1oc(CN2CCC(C[NH+](C)C)CC2)cc1C[NH3+] ZINC000052515311 526770735 /nfs/dbraw/zinc/77/07/35/526770735.db2.gz BNHOPBIXEUJIQS-UHFFFAOYSA-N 2 3 265.401 1.820 10 0 CDAEHP CCOC(=O)C1([C@@H](C)NCC[C@@H]([NH3+])C(C)C)CC[NH2+]CC1 ZINC000596652839 343371703 /nfs/dbraw/zinc/37/17/03/343371703.db2.gz JBLSMMLDDXVCFQ-ZIAGYGMSSA-N 2 3 299.459 1.271 10 0 CDAEHP CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623442998 346757427 /nfs/dbraw/zinc/75/74/27/346757427.db2.gz LEEWQYJJRXLBMT-CABCVRRESA-N 2 3 285.476 1.806 10 0 CDAEHP CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623442998 346757428 /nfs/dbraw/zinc/75/74/28/346757428.db2.gz LEEWQYJJRXLBMT-CABCVRRESA-N 2 3 285.476 1.806 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(CN(C)C)c1 ZINC000422800964 245270937 /nfs/dbraw/zinc/27/09/37/245270937.db2.gz ASPNUCAOESTHAJ-INIZCTEOSA-N 2 3 279.428 1.592 10 0 CDAEHP CC[NH2+][C@@H](C)CCCCN1CCN(CC[NH+](C)C)CC1 ZINC000061643813 520072908 /nfs/dbraw/zinc/07/29/08/520072908.db2.gz FPXQZAFMWZVNFJ-INIZCTEOSA-N 2 3 284.492 1.334 10 0 CDAEHP CC[C@H](CC[NH3+])N1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000049332142 522127693 /nfs/dbraw/zinc/12/76/93/522127693.db2.gz SSEXYUMLSFTXDC-QGZVFWFLSA-N 2 3 296.503 1.607 10 0 CDAEHP CC[C@H](CCN)[N@@H+]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000049332142 522127700 /nfs/dbraw/zinc/12/77/00/522127700.db2.gz SSEXYUMLSFTXDC-QGZVFWFLSA-N 2 3 296.503 1.607 10 0 CDAEHP CC[C@H](CCN)[N@H+]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000049332142 522127705 /nfs/dbraw/zinc/12/77/05/522127705.db2.gz SSEXYUMLSFTXDC-QGZVFWFLSA-N 2 3 296.503 1.607 10 0 CDAEHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799611 617730528 /nfs/dbraw/zinc/73/05/28/617730528.db2.gz ZSRLLBIXJVLIBF-MBNYWOFBSA-N 2 3 276.428 1.745 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000903458636 625994601 /nfs/dbraw/zinc/99/46/01/625994601.db2.gz FXZMZUDGHGGSHJ-SLBVQIDZSA-N 2 3 281.444 1.060 10 0 CDAEHP CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903443640 625997488 /nfs/dbraw/zinc/99/74/88/625997488.db2.gz GJDUOBPQPBPIIS-ILXRZTDVSA-N 2 3 253.434 1.778 10 0 CDAEHP CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903443640 625997489 /nfs/dbraw/zinc/99/74/89/625997489.db2.gz GJDUOBPQPBPIIS-ILXRZTDVSA-N 2 3 253.434 1.778 10 0 CDAEHP FC1(F)CCNC[C@H]1C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903955718 626166907 /nfs/dbraw/zinc/16/69/07/626166907.db2.gz ARGGSOOAJXWHBH-HNNXBMFYSA-N 2 3 295.377 1.667 10 0 CDAEHP [NH3+]C1CCN(CCN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925817380 679477079 /nfs/dbraw/zinc/47/70/79/679477079.db2.gz QYGRALZJDCUCGE-SJORKVTESA-N 2 3 294.487 1.167 10 0 CDAEHP C[C@@H]1C[C@H](CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[NH2+]1 ZINC000629669423 363308785 /nfs/dbraw/zinc/30/87/85/363308785.db2.gz XMKWFSHUIXJTKT-TUVASFSCSA-N 2 3 251.418 1.306 10 0 CDAEHP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000572423908 359377586 /nfs/dbraw/zinc/37/75/86/359377586.db2.gz RFQOVEYDGVEWGQ-GJZGRUSLSA-N 2 3 253.434 1.968 10 0 CDAEHP C[NH+](C)CCC[C@@H]1CN(CCCC2CC[NH2+]CC2)CCO1 ZINC000662327792 412899678 /nfs/dbraw/zinc/89/96/78/412899678.db2.gz VJVIDSLKUJDLES-QGZVFWFLSA-N 2 3 297.487 1.809 10 0 CDAEHP C[NH+](C)CCN1CCN(CCCC[NH2+]C(C)(C)C)CC1 ZINC000061654983 521764859 /nfs/dbraw/zinc/76/48/59/521764859.db2.gz YUUNWEYCQUJFER-UHFFFAOYSA-N 2 3 284.492 1.334 10 0 CDAEHP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCNC12CCC2 ZINC000925609293 683777389 /nfs/dbraw/zinc/77/73/89/683777389.db2.gz RZTHRJYOWTWVPY-CABCVRRESA-N 2 3 281.444 1.098 10 0 CDAEHP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCNC12CCC2 ZINC000925609293 683777392 /nfs/dbraw/zinc/77/73/92/683777392.db2.gz RZTHRJYOWTWVPY-CABCVRRESA-N 2 3 281.444 1.098 10 0 CDAEHP C[NH+](C)CCC[C@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000662327361 412898897 /nfs/dbraw/zinc/89/88/97/412898897.db2.gz OLQOFUCMDWDZRW-CABCVRRESA-N 2 3 269.433 1.029 10 0 CDAEHP CC(C)C[C@H](N)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249816 271183034 /nfs/dbraw/zinc/18/30/34/271183034.db2.gz YZQNRTRDXJNHFX-HOTGVXAUSA-N 2 3 283.460 1.450 10 0 CDAEHP COCC[NH2+]C1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000570848332 294321942 /nfs/dbraw/zinc/32/19/42/294321942.db2.gz IALYUYWVYIIQOQ-KBPBESRZSA-N 2 3 269.433 1.075 10 0 CDAEHP C(C[NH2+]C1CC1)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000923363113 618323504 /nfs/dbraw/zinc/32/35/04/618323504.db2.gz UILYMBLEQHYQLC-KBPBESRZSA-N 2 3 251.418 1.450 10 0 CDAEHP CC(C)N1CCC([NH2+]CCCCCN2CC[NH2+]CC2)CC1 ZINC000925849235 685551367 /nfs/dbraw/zinc/55/13/67/685551367.db2.gz NHSGILTWXVDTPE-UHFFFAOYSA-N 2 3 296.503 1.524 10 0 CDAEHP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCC[NH2+]C3CC3)C2)C1 ZINC000923388280 684340718 /nfs/dbraw/zinc/34/07/18/684340718.db2.gz NMHMGKHIHZGSPR-IIAWOOMASA-N 2 3 281.444 1.347 10 0 CDAEHP C[C@H]1CC2(C[N@@H+]1CCCNC1CC1)CC[NH2+]CC2 ZINC000923382763 686797690 /nfs/dbraw/zinc/79/76/90/686797690.db2.gz FNDOHNODZXOUDX-ZDUSSCGKSA-N 2 3 251.418 1.593 10 0 CDAEHP C[C@H]1CC2(C[N@H+]1CCCNC1CC1)CC[NH2+]CC2 ZINC000923382763 686797697 /nfs/dbraw/zinc/79/76/97/686797697.db2.gz FNDOHNODZXOUDX-ZDUSSCGKSA-N 2 3 251.418 1.593 10 0 CDAEHP [NH3+]C[C@@H]1CN(CC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000872150125 687405959 /nfs/dbraw/zinc/40/59/59/687405959.db2.gz YNWGSCWYSQTSPD-GHMZBOCLSA-N 2 3 265.323 1.055 10 0 CDAEHP [NH3+]CCCOCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000629536095 362949752 /nfs/dbraw/zinc/94/97/52/362949752.db2.gz DZJCZSYDFYFRPU-SOUVJXGZSA-N 2 3 269.433 1.252 10 0 CDAEHP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000422744485 283318419 /nfs/dbraw/zinc/31/84/19/283318419.db2.gz SZSYJJALABIONI-HUUCEWRRSA-N 2 3 253.434 1.825 10 0 CDAEHP CCC[NH+]1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CC1 ZINC000422743836 245205179 /nfs/dbraw/zinc/20/51/79/245205179.db2.gz RYPMMXSANNUIMY-FVQBIDKESA-N 2 3 283.460 1.450 10 0 CDAEHP C[C@@H]1C[C@H](CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC[NH2+]1 ZINC000647479479 390966585 /nfs/dbraw/zinc/96/65/85/390966585.db2.gz IYDWRYYZHJPAMH-FPCVCCKLSA-N 2 3 265.445 1.839 10 0 CDAEHP C[C@H]1C[C@H](C[NH3+])CN1Cc1cccc2c1CC[NH2+]C2 ZINC000662264287 423810626 /nfs/dbraw/zinc/81/06/26/423810626.db2.gz HVBXRETTWXYJCI-QWHCGFSZSA-N 2 3 259.397 1.501 10 0 CDAEHP CC(C)[N@@H+]1CC[C@@](CN)(N2CCC(C[NH+](C)C)CC2)C1 ZINC000045658926 519688636 /nfs/dbraw/zinc/68/86/36/519688636.db2.gz AYAOTQYPYWBUKN-INIZCTEOSA-N 2 3 282.476 1.072 10 0 CDAEHP CC(C)[N@H+]1CC[C@@](CN)(N2CCC(C[NH+](C)C)CC2)C1 ZINC000045658926 519688640 /nfs/dbraw/zinc/68/86/40/519688640.db2.gz AYAOTQYPYWBUKN-INIZCTEOSA-N 2 3 282.476 1.072 10 0 CDAEHP CC[C@H](C)N1CCN(C2(C[NH3+])CC[NH+](C(C)C)CC2)CC1 ZINC000055064625 523953238 /nfs/dbraw/zinc/95/32/38/523953238.db2.gz HEOJHGVDLLWXIB-INIZCTEOSA-N 2 3 296.503 1.604 10 0 CDAEHP COCC1(C[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC[NH2+]CC1 ZINC000925701232 617750558 /nfs/dbraw/zinc/75/05/58/617750558.db2.gz VYGBSLAZIIOKNF-ILXRZTDVSA-N 2 3 295.471 1.369 10 0 CDAEHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879325 692469542 /nfs/dbraw/zinc/46/95/42/692469542.db2.gz BOODGERFRFTJDD-RTXFEEFZSA-N 2 3 262.401 1.627 10 0 CDAEHP [NH3+]C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000872149475 723212198 /nfs/dbraw/zinc/21/21/98/723212198.db2.gz OVFZWEIVSRCJRZ-AXFHLTTASA-N 2 3 265.323 1.055 10 0 CDAEHP CCO[C@@H](CC[NH+](C)C)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925544044 723364685 /nfs/dbraw/zinc/36/46/85/723364685.db2.gz XTLIGSYMLYIJGY-FZKCQIBNSA-N 2 3 297.487 1.709 10 0 CDAEHP C[C@]12C[NH2+]C[C@H]1CN(CCCC1CC[NH2+]CC1)C2 ZINC000872153501 1165387744 /nfs/dbraw/zinc/38/77/44/1165387744.db2.gz DIYCRNIZTAYRAO-LSDHHAIUSA-N 2 3 251.418 1.308 10 0 CDAEHP CC(C)C[C@@H]([NH3+])CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424368928 360024140 /nfs/dbraw/zinc/02/41/40/360024140.db2.gz ATYYZZATKVYAHQ-UONOGXRCSA-N 2 3 253.434 1.824 10 0 CDAEHP C[C@@H]1C[C@H](CN2CCO[C@H](CCC[NH+](C)C)C2)CC[NH2+]1 ZINC000663514370 414321504 /nfs/dbraw/zinc/32/15/04/414321504.db2.gz QCNVEJDUSTYTKT-BZUAXINKSA-N 2 3 283.460 1.417 10 0 CDAEHP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(C2)CCCNC3)CC[NH2+]1 ZINC000576040653 317062529 /nfs/dbraw/zinc/06/25/29/317062529.db2.gz NFMHWDWYENCINF-KFWWJZLASA-N 2 3 251.418 1.450 10 0 CDAEHP C[C@@H]1C[C@H](C[N@H+]2CC[C@@]3(C2)CCCNC3)CC[NH2+]1 ZINC000576040653 317062532 /nfs/dbraw/zinc/06/25/32/317062532.db2.gz NFMHWDWYENCINF-KFWWJZLASA-N 2 3 251.418 1.450 10 0 CDAEHP CC(C)(C)N1CCC([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000925876413 617949618 /nfs/dbraw/zinc/94/96/18/617949618.db2.gz XHVBFZNQWSHAMT-OLZOCXBDSA-N 2 3 253.434 1.966 10 0 CDAEHP CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923495053 695864338 /nfs/dbraw/zinc/86/43/38/695864338.db2.gz SNYXCOOMDDGFCV-IAGOWNOFSA-N 2 3 296.503 1.319 10 0 CDAEHP CC(C)N1CCN(CCC[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923495053 695864341 /nfs/dbraw/zinc/86/43/41/695864341.db2.gz SNYXCOOMDDGFCV-IAGOWNOFSA-N 2 3 296.503 1.319 10 0 CDAEHP C[NH2+]CCOCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000629531617 362163395 /nfs/dbraw/zinc/16/33/95/362163395.db2.gz RLEDWTHEYMKTCD-UONOGXRCSA-N 2 3 257.422 1.123 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000422999567 359708223 /nfs/dbraw/zinc/70/82/23/359708223.db2.gz SRKDFOMWKAGFEC-HZPDHXFCSA-N 2 3 285.476 1.698 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000422999567 359708225 /nfs/dbraw/zinc/70/82/25/359708225.db2.gz SRKDFOMWKAGFEC-HZPDHXFCSA-N 2 3 285.476 1.698 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000422999567 359708230 /nfs/dbraw/zinc/70/82/30/359708230.db2.gz SRKDFOMWKAGFEC-HZPDHXFCSA-N 2 3 285.476 1.698 10 0 CDAEHP CN1CC[C@@H](C[N@H+](C)C[C@H](O)c2ccc(C[NH3+])cc2)C1 ZINC000071188311 176062730 /nfs/dbraw/zinc/06/27/30/176062730.db2.gz ZZVULLGUSMKNRJ-ZBFHGGJFSA-N 2 3 277.412 1.062 10 0 CDAEHP CN1CC[C@@H](C[N@@H+](C)C[C@H](O)c2ccc(C[NH3+])cc2)C1 ZINC000071188311 176062731 /nfs/dbraw/zinc/06/27/31/176062731.db2.gz ZZVULLGUSMKNRJ-ZBFHGGJFSA-N 2 3 277.412 1.062 10 0 CDAEHP CN1CC[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]2CCC[C@@H]21 ZINC000353669358 289170301 /nfs/dbraw/zinc/17/03/01/289170301.db2.gz IXGGQFFVYGDFLJ-ZNMIVQPWSA-N 2 3 269.433 1.027 10 0 CDAEHP CCC[NH2+]CCCCCN1CCN(CC[NH+](C)C)CC1 ZINC000061654966 519911679 /nfs/dbraw/zinc/91/16/79/519911679.db2.gz KOKLGFZIMJETNI-UHFFFAOYSA-N 2 3 284.492 1.336 10 0 CDAEHP C[NH+](C)CC1CC[NH+](CC2(CN)CCOCC2)CC1 ZINC000052182721 524049145 /nfs/dbraw/zinc/04/91/45/524049145.db2.gz VNJYMOUPTBPLRZ-UHFFFAOYSA-N 2 3 269.433 1.016 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000903460031 625995470 /nfs/dbraw/zinc/99/54/70/625995470.db2.gz UVSLBUFEFYCMCU-SYAUCNOPSA-N 2 3 281.444 1.060 10 0 CDAEHP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000925839738 727064551 /nfs/dbraw/zinc/06/45/51/727064551.db2.gz DAJQNYNJHFVCHH-HZPDHXFCSA-N 2 3 282.476 1.182 10 0 CDAEHP C[NH2+]Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000650755356 398180109 /nfs/dbraw/zinc/18/01/09/398180109.db2.gz CPBISOBXNBKGRU-APHBMKBZSA-N 2 3 277.412 1.248 10 0 CDAEHP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCCNC2)CC[NH2+]CC1 ZINC000423555925 359855718 /nfs/dbraw/zinc/85/57/18/359855718.db2.gz MDJGLUNNSNURSV-KGLIPLIRSA-N 2 3 297.443 1.040 10 0 CDAEHP C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccc2c1CC[NH2+]C2 ZINC000662264282 414600019 /nfs/dbraw/zinc/60/00/19/414600019.db2.gz HVBXRETTWXYJCI-CHWSQXEVSA-N 2 3 259.397 1.501 10 0 CDAEHP CC1(C)[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)[C@@H]2CCCN[C@@H]21 ZINC000925713746 617819990 /nfs/dbraw/zinc/81/99/90/617819990.db2.gz YQQVJFOLOPVETH-ZOBORPQBSA-N 2 3 263.429 1.495 10 0 CDAEHP CC1(C)[C@H](N[C@H]2CC23CC[NH2+]CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925713746 617819992 /nfs/dbraw/zinc/81/99/92/617819992.db2.gz YQQVJFOLOPVETH-ZOBORPQBSA-N 2 3 263.429 1.495 10 0 CDAEHP [NH3+]CC1(CC[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925701816 729858064 /nfs/dbraw/zinc/85/80/64/729858064.db2.gz GCVLIOMLAXTKJY-HUUCEWRRSA-N 2 3 265.445 1.873 10 0 CDAEHP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000925839736 729919789 /nfs/dbraw/zinc/91/97/89/729919789.db2.gz DAJQNYNJHFVCHH-CVEARBPZSA-N 2 3 282.476 1.182 10 0 CDAEHP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925687128 932927464 /nfs/dbraw/zinc/92/74/64/932927464.db2.gz YZQRABCYDCTAPJ-KBPBESRZSA-N 2 3 251.418 1.593 10 0 CDAEHP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925687128 932927470 /nfs/dbraw/zinc/92/74/70/932927470.db2.gz YZQRABCYDCTAPJ-KBPBESRZSA-N 2 3 251.418 1.593 10 0 CDAEHP C[NH2+]CCOCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000629531615 362163526 /nfs/dbraw/zinc/16/35/26/362163526.db2.gz RLEDWTHEYMKTCD-KBPBESRZSA-N 2 3 257.422 1.123 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000422829873 293097579 /nfs/dbraw/zinc/09/75/79/293097579.db2.gz CECUDDVKQRDBRS-RDBSUJKOSA-N 2 3 257.422 1.203 10 0 CDAEHP COC[C@H](CCC[NH3+])N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422829873 293097582 /nfs/dbraw/zinc/09/75/82/293097582.db2.gz CECUDDVKQRDBRS-RDBSUJKOSA-N 2 3 257.422 1.203 10 0 CDAEHP N[C@H]1CCCCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000575914955 317037473 /nfs/dbraw/zinc/03/74/73/317037473.db2.gz ZOTFHHRYQDJMQO-GQGLESIBSA-N 2 3 294.487 1.452 10 0 CDAEHP N[C@H]1CCCCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000575914955 317037475 /nfs/dbraw/zinc/03/74/75/317037475.db2.gz ZOTFHHRYQDJMQO-GQGLESIBSA-N 2 3 294.487 1.452 10 0 CDAEHP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]2CCC[C@H]21 ZINC000423358220 290223374 /nfs/dbraw/zinc/22/33/74/290223374.db2.gz BLBXHSBWHGNISQ-AIEDFZFUSA-N 2 3 251.418 1.719 10 0 CDAEHP C[C@H]1C[C@@H](CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[NH2+]1 ZINC000629669425 363308104 /nfs/dbraw/zinc/30/81/04/363308104.db2.gz XMKWFSHUIXJTKT-ZQDZILKHSA-N 2 3 251.418 1.306 10 0 CDAEHP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000422744483 245205564 /nfs/dbraw/zinc/20/55/64/245205564.db2.gz SZSYJJALABIONI-CABCVRRESA-N 2 3 253.434 1.825 10 0 CDAEHP CC[NH+]1CCC(C[NH+]2C[C@H](C)CNC[C@@H](C)C2)CC1 ZINC000044526854 175191874 /nfs/dbraw/zinc/19/18/74/175191874.db2.gz PFDJFKWUAMOQLO-HUUCEWRRSA-N 2 3 267.461 1.896 10 0 CDAEHP [NH3+]C[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CC[C@H]1C(F)(F)F ZINC000903473851 626004722 /nfs/dbraw/zinc/00/47/22/626004722.db2.gz AODNSOWNUDXVLJ-NOOOWODRSA-N 2 3 279.350 1.573 10 0 CDAEHP [NH3+]C[C@H]1CN(CC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000872150133 734184966 /nfs/dbraw/zinc/18/49/66/734184966.db2.gz YNWGSCWYSQTSPD-WDEREUQCSA-N 2 3 265.323 1.055 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925803138 735871519 /nfs/dbraw/zinc/87/15/19/735871519.db2.gz MLECVDKKESBLPC-AVRGHOLYSA-N 2 3 259.397 1.966 10 0 CDAEHP CC(C)C[C@H](N)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650724981 398163505 /nfs/dbraw/zinc/16/35/05/398163505.db2.gz QRXZTSLADRBBKM-JONQDZQNSA-N 2 3 283.460 1.721 10 0 CDAEHP CC(C)C[C@H](N)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650724981 398163508 /nfs/dbraw/zinc/16/35/08/398163508.db2.gz QRXZTSLADRBBKM-JONQDZQNSA-N 2 3 283.460 1.721 10 0 CDAEHP CC[NH+]1CCC(C[NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000643453723 370580642 /nfs/dbraw/zinc/58/06/42/370580642.db2.gz VTPJKKOXGLRHJZ-HIFRSBDPSA-N 2 3 253.434 1.696 10 0 CDAEHP CC(C)C[NH2+]CCC[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654963 519743762 /nfs/dbraw/zinc/74/37/62/519743762.db2.gz ZTFIPEQMTIXTGJ-KRWDZBQOSA-N 2 3 298.519 1.580 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000903460872 625995698 /nfs/dbraw/zinc/99/56/98/625995698.db2.gz KNCBYTQPNCZDIY-LYYZXLFJSA-N 2 3 281.444 1.203 10 0 CDAEHP [NH3+]C[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C(F)(F)F ZINC000903477900 626005517 /nfs/dbraw/zinc/00/55/17/626005517.db2.gz BGRBSECYESNLDG-VPOLOUISSA-N 2 3 265.323 1.183 10 0 CDAEHP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CCC[NH2+]C3CC3)C2)C1 ZINC000923388276 923802552 /nfs/dbraw/zinc/80/25/52/923802552.db2.gz NMHMGKHIHZGSPR-FMKPAKJESA-N 2 3 281.444 1.347 10 0 CDAEHP CCC[NH+]1CCC(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629558965 363001828 /nfs/dbraw/zinc/00/18/28/363001828.db2.gz OLLSGMJMEAVABF-INIZCTEOSA-N 2 3 283.460 1.155 10 0 CDAEHP C[C@@H]1C[C@@H](CN2CCO[C@@H](CCC[NH+](C)C)C2)CC[NH2+]1 ZINC000663514373 414320800 /nfs/dbraw/zinc/32/08/00/414320800.db2.gz QCNVEJDUSTYTKT-PMPSAXMXSA-N 2 3 283.460 1.417 10 0 CDAEHP CC[NH2+][C@H]1CCN(CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000044518804 175191356 /nfs/dbraw/zinc/19/13/56/175191356.db2.gz PRZZYJWJFXVUEW-ZFWWWQNUSA-N 2 3 253.434 1.648 10 0 CDAEHP [NH3+]C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000872152389 741074935 /nfs/dbraw/zinc/07/49/35/741074935.db2.gz QOWARTVFSPZFQF-QJPTWQEYSA-N 2 3 279.350 1.445 10 0 CDAEHP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000715519612 742619599 /nfs/dbraw/zinc/61/95/99/742619599.db2.gz UZSDKNJNGKGLKO-FEWQNLEASA-N 2 3 253.434 1.966 10 0 CDAEHP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000572423907 359377150 /nfs/dbraw/zinc/37/71/50/359377150.db2.gz RFQOVEYDGVEWGQ-CABCVRRESA-N 2 3 253.434 1.968 10 0 CDAEHP COC[C@H](CCC[NH3+])NC1CC[NH+](CC(C)C)CC1 ZINC000422821627 293095672 /nfs/dbraw/zinc/09/56/72/293095672.db2.gz XNYFJZFPWAPIMR-HNNXBMFYSA-N 2 3 271.449 1.450 10 0 CDAEHP [NH3+]C[C@@]1(c2ccccc2)C[C@H](N[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000925881625 617965651 /nfs/dbraw/zinc/96/56/51/617965651.db2.gz JYFKUMJBEXXPFH-YHUYYLMFSA-N 2 3 259.397 1.515 10 0 CDAEHP C[C@@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)C[C@H]1CC[NH3+] ZINC000903978585 626170025 /nfs/dbraw/zinc/17/00/25/626170025.db2.gz SMKJMIZHOUKIBL-GHMZBOCLSA-N 2 3 280.441 1.206 10 0 CDAEHP [NH3+]C[C@@]1(c2ccccc2)C[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925882830 749228792 /nfs/dbraw/zinc/22/87/92/749228792.db2.gz VHLWOTRXOMOFKH-LUKYLMHMSA-N 2 3 285.435 1.905 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]CC[C@H](C)N1CCCCC1 ZINC000423028549 245507383 /nfs/dbraw/zinc/50/73/83/245507383.db2.gz GRIVDBAURZSOKD-GJZGRUSLSA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@H](CCC[NH3+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000423028549 245507388 /nfs/dbraw/zinc/50/73/88/245507388.db2.gz GRIVDBAURZSOKD-GJZGRUSLSA-N 2 3 271.449 1.594 10 0 CDAEHP COCC[NH2+]C1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000570848334 294322694 /nfs/dbraw/zinc/32/26/94/294322694.db2.gz IALYUYWVYIIQOQ-KGLIPLIRSA-N 2 3 269.433 1.075 10 0 CDAEHP CC(C)CN1CCN(C2(C[NH3+])CC[NH+](C(C)C)CC2)CC1 ZINC000055078314 519725554 /nfs/dbraw/zinc/72/55/54/519725554.db2.gz XHZLEEGMNXXLMO-UHFFFAOYSA-N 2 3 296.503 1.462 10 0 CDAEHP CN(C)C[C@@H]1CC[N@H+](CCCN2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000247071657 280318377 /nfs/dbraw/zinc/31/83/77/280318377.db2.gz SFHWDARMWCESNO-IRXDYDNUSA-N 2 3 296.503 1.144 10 0 CDAEHP CN(C)C[C@@H]1CC[N@@H+](CCCN2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000247071657 280318378 /nfs/dbraw/zinc/31/83/78/280318378.db2.gz SFHWDARMWCESNO-IRXDYDNUSA-N 2 3 296.503 1.144 10 0 CDAEHP C[NH+](C)C[C@@H]1CCN(CCCN2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000247071657 280318379 /nfs/dbraw/zinc/31/83/79/280318379.db2.gz SFHWDARMWCESNO-IRXDYDNUSA-N 2 3 296.503 1.144 10 0 CDAEHP [NH3+]C[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000872150394 753853695 /nfs/dbraw/zinc/85/36/95/753853695.db2.gz DYUNSPLLXYIONE-VXGBXAGGSA-N 2 3 279.350 1.445 10 0 CDAEHP C[NH+](C)C1(C)CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000715519622 755550193 /nfs/dbraw/zinc/55/01/93/755550193.db2.gz UZSDKNJNGKGLKO-JLVJUDLZSA-N 2 3 253.434 1.966 10 0 CDAEHP CC1(C)[C@H]([NH2+]CCC2CC[NH2+]CC2)[C@@H]2CCCN[C@@H]21 ZINC000925702016 756640914 /nfs/dbraw/zinc/64/09/14/756640914.db2.gz JHBOGHPBIWTPPQ-QLFBSQMISA-N 2 3 265.445 1.742 10 0 CDAEHP CC(C)C[C@H](N)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708878 398153951 /nfs/dbraw/zinc/15/39/51/398153951.db2.gz SADVSEHNMLJMLY-VGWMRTNUSA-N 2 3 283.460 1.578 10 0 CDAEHP CC(C)C[C@H](N)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708878 398153954 /nfs/dbraw/zinc/15/39/54/398153954.db2.gz SADVSEHNMLJMLY-VGWMRTNUSA-N 2 3 283.460 1.578 10 0 CDAEHP C[C@@H](NCCC[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000423185233 392425058 /nfs/dbraw/zinc/42/50/58/392425058.db2.gz UUOAFBCKFQTBMF-CYBMUJFWSA-N 2 3 265.401 1.626 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000925690870 617695640 /nfs/dbraw/zinc/69/56/40/617695640.db2.gz HVXIYMXUHHKRLF-MQYQWHSLSA-N 2 3 251.418 1.352 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000925783104 617700359 /nfs/dbraw/zinc/70/03/59/617700359.db2.gz CNISAVRANSJTNI-FQKPHLNHSA-N 2 3 251.418 1.304 10 0 CDAEHP CCC[NH2+]CCCNCCCNCCC[NH2+]CCC ZINC000034524397 342445905 /nfs/dbraw/zinc/44/59/05/342445905.db2.gz KFWJPACCVLRJNV-UHFFFAOYSA-N 2 3 272.481 1.335 10 0 CDAEHP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2nc3c(s2)CNCC3)CC1 ZINC000663496034 414292655 /nfs/dbraw/zinc/29/26/55/414292655.db2.gz CJQPVKPRIISNCZ-HAQNSBGRSA-N 2 3 294.468 1.644 10 0 CDAEHP CN(C)C1CC[NH+](CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000043591908 175074398 /nfs/dbraw/zinc/07/43/98/175074398.db2.gz VIJIFBSOOSCUHB-AWEZNQCLSA-N 2 3 253.434 1.792 10 0 CDAEHP CC(C)C[C@H](N)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415122071 279179028 /nfs/dbraw/zinc/17/90/28/279179028.db2.gz JKUFOTMCVUJGFG-PMPSAXMXSA-N 2 3 283.460 1.578 10 0 CDAEHP C[C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CCN1C ZINC000925840405 617871478 /nfs/dbraw/zinc/87/14/78/617871478.db2.gz AAOYFNXEMXMMGR-GBJTYRQASA-N 2 3 251.418 1.591 10 0 CDAEHP NC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925882573 779515645 /nfs/dbraw/zinc/51/56/45/779515645.db2.gz QYPMCYJKVSNLMG-QMCVQRASSA-N 2 3 273.424 1.763 10 0 CDAEHP [NH3+]CCCOCCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000629537133 362952927 /nfs/dbraw/zinc/95/29/27/362952927.db2.gz IEORWPFTPSSFAK-CVEARBPZSA-N 2 3 277.412 1.435 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)CN1CCCC1 ZINC000423070614 392314678 /nfs/dbraw/zinc/31/46/78/392314678.db2.gz GKWMEMGYUGNNQC-AWEZNQCLSA-N 2 3 271.449 1.452 10 0 CDAEHP COC[C@H](CCC[NH3+])NCC(C)(C)C[NH+]1CCCC1 ZINC000423070614 392314682 /nfs/dbraw/zinc/31/46/82/392314682.db2.gz GKWMEMGYUGNNQC-AWEZNQCLSA-N 2 3 271.449 1.452 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000422829870 293097328 /nfs/dbraw/zinc/09/73/28/293097328.db2.gz CECUDDVKQRDBRS-HZSPNIEDSA-N 2 3 257.422 1.203 10 0 CDAEHP COC[C@H](CCC[NH3+])N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422829870 293097331 /nfs/dbraw/zinc/09/73/31/293097331.db2.gz CECUDDVKQRDBRS-HZSPNIEDSA-N 2 3 257.422 1.203 10 0 CDAEHP C[C@H](CC[NH2+]C1CC1)N1CCC(C[NH+](C)C)CC1 ZINC000052515500 524194314 /nfs/dbraw/zinc/19/43/14/524194314.db2.gz FXPRDSUCMVASKO-CYBMUJFWSA-N 2 3 253.434 1.791 10 0 CDAEHP C[C@H](CCNC1CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515500 524194320 /nfs/dbraw/zinc/19/43/20/524194320.db2.gz FXPRDSUCMVASKO-CYBMUJFWSA-N 2 3 253.434 1.791 10 0 CDAEHP [NH3+]C1CCN(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000925815838 782578172 /nfs/dbraw/zinc/57/81/72/782578172.db2.gz AONREFOITLYSCE-BRWVUGGUSA-N 2 3 294.487 1.310 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925803140 783031763 /nfs/dbraw/zinc/03/17/63/783031763.db2.gz MLECVDKKESBLPC-CZPYZCIJSA-N 2 3 259.397 1.966 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000925702015 780876930 /nfs/dbraw/zinc/87/69/30/780876930.db2.gz JHBOGHPBIWTPPQ-ILXRZTDVSA-N 2 3 265.445 1.742 10 0 CDAEHP C1[C@@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C12CC[NH2+]CC2 ZINC000925702557 781739893 /nfs/dbraw/zinc/73/98/93/781739893.db2.gz BPVRAYQHRNCKLO-ARFHVFGLSA-N 2 3 277.456 1.886 10 0 CDAEHP CC(C)C[C@H](N)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708880 398154201 /nfs/dbraw/zinc/15/42/01/398154201.db2.gz SADVSEHNMLJMLY-YHUYYLMFSA-N 2 3 283.460 1.578 10 0 CDAEHP CC(C)C[C@H](N)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708880 398154202 /nfs/dbraw/zinc/15/42/02/398154202.db2.gz SADVSEHNMLJMLY-YHUYYLMFSA-N 2 3 283.460 1.578 10 0 CDAEHP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCCNC2)CC[NH2+]CC1 ZINC000423555930 359856779 /nfs/dbraw/zinc/85/67/79/359856779.db2.gz MDJGLUNNSNURSV-ZIAGYGMSSA-N 2 3 297.443 1.040 10 0 CDAEHP Cc1c[nH+]ccc1NCC[N@@H+](C)CCCN(C)C ZINC000664248244 413188411 /nfs/dbraw/zinc/18/84/11/413188411.db2.gz RAXHGCYRFOJANQ-UHFFFAOYSA-N 2 3 250.390 1.107 10 0 CDAEHP Cc1c[nH+]ccc1NCC[N@H+](C)CCCN(C)C ZINC000664248244 413188412 /nfs/dbraw/zinc/18/84/12/413188412.db2.gz RAXHGCYRFOJANQ-UHFFFAOYSA-N 2 3 250.390 1.107 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000903452251 626000853 /nfs/dbraw/zinc/00/08/53/626000853.db2.gz KFDZJLUWSFIKAL-YUELXQCFSA-N 2 3 251.418 1.163 10 0 CDAEHP C[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925490070 928578117 /nfs/dbraw/zinc/57/81/17/928578117.db2.gz AKXLIBSJPWOLJX-ILXRZTDVSA-N 2 3 265.445 1.694 10 0 CDAEHP CC[NH+](CC)CCOCCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623491234 347603189 /nfs/dbraw/zinc/60/31/89/347603189.db2.gz KJOCFJXJMHZSTO-HNNXBMFYSA-N 2 3 285.476 1.807 10 0 CDAEHP CC[NH+](CC)CCOCCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623491234 347603191 /nfs/dbraw/zinc/60/31/91/347603191.db2.gz KJOCFJXJMHZSTO-HNNXBMFYSA-N 2 3 285.476 1.807 10 0 CDAEHP C[C@H]([NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C1CC[NH2+]CC1 ZINC000925727259 617973454 /nfs/dbraw/zinc/97/34/54/617973454.db2.gz CZCVYUGJXGMMOA-ATGSNQNLSA-N 2 3 265.445 1.741 10 0 CDAEHP CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923495054 785359920 /nfs/dbraw/zinc/35/99/20/785359920.db2.gz SNYXCOOMDDGFCV-IRXDYDNUSA-N 2 3 296.503 1.319 10 0 CDAEHP CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923495054 785359933 /nfs/dbraw/zinc/35/99/33/785359933.db2.gz SNYXCOOMDDGFCV-IRXDYDNUSA-N 2 3 296.503 1.319 10 0 CDAEHP [NH3+]C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000872149476 789094309 /nfs/dbraw/zinc/09/43/09/789094309.db2.gz OVFZWEIVSRCJRZ-GMTAPVOTSA-N 2 3 265.323 1.055 10 0 CDAEHP C(CN1CCC[C@]2(CC[NH2+]C2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923366738 789348260 /nfs/dbraw/zinc/34/82/60/789348260.db2.gz PXJBWFHCZWQHHT-NPYXIHBLSA-N 2 3 277.456 1.983 10 0 CDAEHP C[C@@H](CN(C)CCC[NH+](C)C)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623562769 347634287 /nfs/dbraw/zinc/63/42/87/347634287.db2.gz BVXWLCMNADHNJU-HOTGVXAUSA-N 2 3 298.519 1.721 10 0 CDAEHP C[C@@H](CN(C)CCC[NH+](C)C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623562769 347634291 /nfs/dbraw/zinc/63/42/91/347634291.db2.gz BVXWLCMNADHNJU-HOTGVXAUSA-N 2 3 298.519 1.721 10 0 CDAEHP COC[C@H](CCC[NH3+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422878434 245363815 /nfs/dbraw/zinc/36/38/15/245363815.db2.gz JDKQZLAFVOTJLE-XHSDSOJGSA-N 2 3 285.476 1.698 10 0 CDAEHP COC[C@H](CCC[NH3+])NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422878434 245363819 /nfs/dbraw/zinc/36/38/19/245363819.db2.gz JDKQZLAFVOTJLE-XHSDSOJGSA-N 2 3 285.476 1.698 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000422878434 245363822 /nfs/dbraw/zinc/36/38/22/245363822.db2.gz JDKQZLAFVOTJLE-XHSDSOJGSA-N 2 3 285.476 1.698 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000422999566 285373299 /nfs/dbraw/zinc/37/32/99/285373299.db2.gz SRKDFOMWKAGFEC-HOTGVXAUSA-N 2 3 285.476 1.698 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000422999566 285373301 /nfs/dbraw/zinc/37/33/01/285373301.db2.gz SRKDFOMWKAGFEC-HOTGVXAUSA-N 2 3 285.476 1.698 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000422999566 285373302 /nfs/dbraw/zinc/37/33/02/285373302.db2.gz SRKDFOMWKAGFEC-HOTGVXAUSA-N 2 3 285.476 1.698 10 0 CDAEHP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000422780971 279257157 /nfs/dbraw/zinc/25/71/57/279257157.db2.gz ICRLRDCIYFMZIH-GJZGRUSLSA-N 2 3 253.434 1.825 10 0 CDAEHP CCC[NH+]1CCC(C[NH3+])(N2CCN([C@H](C)CC)CC2)CC1 ZINC000055064726 519842317 /nfs/dbraw/zinc/84/23/17/519842317.db2.gz XRWXFMMEPBCAPN-MRXNPFEDSA-N 2 3 296.503 1.606 10 0 CDAEHP CC1(C)[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H]2CCCN[C@@H]21 ZINC000925692523 617701125 /nfs/dbraw/zinc/70/11/25/617701125.db2.gz LZRJLNNZBUCDNY-MYXTYHMWSA-N 2 3 251.418 1.623 10 0 CDAEHP C[C@H](N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)C1C[NH2+]C1 ZINC000925882306 1166748972 /nfs/dbraw/zinc/74/89/72/1166748972.db2.gz NZLKJWIMTBBWAD-VBNZEHGJSA-N 2 3 259.397 1.243 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000104219313 795246600 /nfs/dbraw/zinc/24/66/00/795246600.db2.gz XYGSIEZUUKOSDJ-ZBFHGGJFSA-N 2 3 265.445 1.650 10 0 CDAEHP C1[C@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C12CC[NH2+]CC2 ZINC000925702560 796029201 /nfs/dbraw/zinc/02/92/01/796029201.db2.gz BPVRAYQHRNCKLO-XHSDSOJGSA-N 2 3 277.456 1.886 10 0 CDAEHP C[NH+](C)CC1(c2ccccc2)CCN(CCC[NH3+])CC1 ZINC000039001998 342550517 /nfs/dbraw/zinc/55/05/17/342550517.db2.gz BXWLDARKZMLJDW-UHFFFAOYSA-N 2 3 275.440 1.931 10 0 CDAEHP [NH3+]Cc1cccc(CNCc2cccc(C[NH3+])c2)c1 ZINC000079196487 348740464 /nfs/dbraw/zinc/74/04/64/348740464.db2.gz SVLZZABWMUHCOP-UHFFFAOYSA-N 2 3 255.365 1.894 10 0 CDAEHP C[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@]1(C)CN ZINC000415062273 391739959 /nfs/dbraw/zinc/73/99/59/391739959.db2.gz XVZGKESYCYHIBM-OXGONZEZSA-N 2 3 265.445 1.824 10 0 CDAEHP C[C@@H]1C[N@H+]([C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@]1(C)CN ZINC000415062273 391739961 /nfs/dbraw/zinc/73/99/61/391739961.db2.gz XVZGKESYCYHIBM-OXGONZEZSA-N 2 3 265.445 1.824 10 0 CDAEHP CC(C)C[C@@H](N)C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415053731 391738191 /nfs/dbraw/zinc/73/81/91/391738191.db2.gz MSKHJCQCIYMABE-QQFBHYJXSA-N 2 3 282.476 1.166 10 0 CDAEHP CC(C)C[C@@H](N)C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415053731 391738192 /nfs/dbraw/zinc/73/81/92/391738192.db2.gz MSKHJCQCIYMABE-QQFBHYJXSA-N 2 3 282.476 1.166 10 0 CDAEHP C[NH+](C)CCN1CCN(CCCCCCC[NH3+])CC1 ZINC000061652492 521765581 /nfs/dbraw/zinc/76/55/81/521765581.db2.gz XYKPQVBZUGYGFN-UHFFFAOYSA-N 2 3 270.465 1.075 10 0 CDAEHP [NH3+]C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000872149478 1165385668 /nfs/dbraw/zinc/38/56/68/1165385668.db2.gz OVFZWEIVSRCJRZ-MXWKQRLJSA-N 2 3 265.323 1.055 10 0 CDAEHP C(CNC1CC1)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358872 797316787 /nfs/dbraw/zinc/31/67/87/797316787.db2.gz MBDJFNLQHIXBRX-CABCVRRESA-N 2 3 265.445 1.840 10 0 CDAEHP C(CNC1CC1)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358872 797316795 /nfs/dbraw/zinc/31/67/95/797316795.db2.gz MBDJFNLQHIXBRX-CABCVRRESA-N 2 3 265.445 1.840 10 0 CDAEHP C(C[NH2+]C1CC1)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358872 797316806 /nfs/dbraw/zinc/31/68/06/797316806.db2.gz MBDJFNLQHIXBRX-CABCVRRESA-N 2 3 265.445 1.840 10 0 CDAEHP CN1CC[C@@H](C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123974053 797360219 /nfs/dbraw/zinc/36/02/19/797360219.db2.gz SEOANCXHLBZDBM-CQSZACIVSA-N 2 3 273.424 1.716 10 0 CDAEHP CN1CC[C@@H](C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123974053 797360227 /nfs/dbraw/zinc/36/02/27/797360227.db2.gz SEOANCXHLBZDBM-CQSZACIVSA-N 2 3 273.424 1.716 10 0 CDAEHP [NH3+]CC1(CC[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925701817 932929403 /nfs/dbraw/zinc/92/94/03/932929403.db2.gz GCVLIOMLAXTKJY-LSDHHAIUSA-N 2 3 265.445 1.873 10 0 CDAEHP [NH3+][C@H]1C[C@@H](C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925726928 932933041 /nfs/dbraw/zinc/93/30/41/932933041.db2.gz MBWTWJNIEQSLQX-BEAPCOKYSA-N 2 3 251.418 1.482 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925803141 932940262 /nfs/dbraw/zinc/94/02/62/932940262.db2.gz MLECVDKKESBLPC-MPTQWLOMSA-N 2 3 259.397 1.966 10 0 CDAEHP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000353690080 365370212 /nfs/dbraw/zinc/37/02/12/365370212.db2.gz RGKCKKQTFNNGMR-BBWFWOEESA-N 2 3 297.487 1.807 10 0 CDAEHP C[NH+](C)CCC[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000662326820 412897072 /nfs/dbraw/zinc/89/70/72/412897072.db2.gz CUWGCMJGBSOIRN-JKSUJKDBSA-N 2 3 283.460 1.419 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000423039165 392293803 /nfs/dbraw/zinc/29/38/03/392293803.db2.gz DUBDTCVITNIDQG-PMPSAXMXSA-N 2 3 297.487 1.983 10 0 CDAEHP COC[C@H](CCC[NH3+])N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423039165 392293809 /nfs/dbraw/zinc/29/38/09/392293809.db2.gz DUBDTCVITNIDQG-PMPSAXMXSA-N 2 3 297.487 1.983 10 0 CDAEHP COC[C@H](CCC[NH3+])N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423039165 392293813 /nfs/dbraw/zinc/29/38/13/392293813.db2.gz DUBDTCVITNIDQG-PMPSAXMXSA-N 2 3 297.487 1.983 10 0 CDAEHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000665240440 413973241 /nfs/dbraw/zinc/97/32/41/413973241.db2.gz LEXHPYFBGAFKQR-GRDNDAEWSA-N 2 3 291.439 1.469 10 0 CDAEHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000665240440 413973250 /nfs/dbraw/zinc/97/32/50/413973250.db2.gz LEXHPYFBGAFKQR-GRDNDAEWSA-N 2 3 291.439 1.469 10 0 CDAEHP CC(C)[NH2+]CCC[C@@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654956 519720914 /nfs/dbraw/zinc/72/09/14/519720914.db2.gz WDLJNDPWLXGJNH-MRXNPFEDSA-N 2 3 284.492 1.332 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000903460028 625995452 /nfs/dbraw/zinc/99/54/52/625995452.db2.gz UVSLBUFEFYCMCU-BVUBDWEXSA-N 2 3 281.444 1.060 10 0 CDAEHP CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158237 1165387621 /nfs/dbraw/zinc/38/76/21/1165387621.db2.gz UGNWDKRQCBFEKU-UAGQMJEPSA-N 2 3 297.487 1.576 10 0 CDAEHP CNC[C@](C)(O)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158237 1165387626 /nfs/dbraw/zinc/38/76/26/1165387626.db2.gz UGNWDKRQCBFEKU-UAGQMJEPSA-N 2 3 297.487 1.576 10 0 CDAEHP C[NH2+]C[C@](C)(O)CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158237 1165387633 /nfs/dbraw/zinc/38/76/33/1165387633.db2.gz UGNWDKRQCBFEKU-UAGQMJEPSA-N 2 3 297.487 1.576 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000925701471 805258529 /nfs/dbraw/zinc/25/85/29/805258529.db2.gz AEDUAQWJKWVDKF-AGIUHOORSA-N 2 3 251.418 1.482 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925803139 813867715 /nfs/dbraw/zinc/86/77/15/813867715.db2.gz MLECVDKKESBLPC-BHTHQVBYSA-N 2 3 259.397 1.966 10 0 CDAEHP CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923495052 814299857 /nfs/dbraw/zinc/29/98/57/814299857.db2.gz SNYXCOOMDDGFCV-DLBZAZTESA-N 2 3 296.503 1.319 10 0 CDAEHP CC(C)N1CCN(CCC[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000923495052 814299879 /nfs/dbraw/zinc/29/98/79/814299879.db2.gz SNYXCOOMDDGFCV-DLBZAZTESA-N 2 3 296.503 1.319 10 0 CDAEHP CNCCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000866717391 817886079 /nfs/dbraw/zinc/88/60/79/817886079.db2.gz DAYNXKIRNMUWBK-UHFFFAOYSA-N 2 3 255.450 1.896 10 0 CDAEHP CNCCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000866717391 817886080 /nfs/dbraw/zinc/88/60/80/817886080.db2.gz DAYNXKIRNMUWBK-UHFFFAOYSA-N 2 3 255.450 1.896 10 0 CDAEHP C[C@@H]([NH3+])C[C@H](C)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000422792686 245262771 /nfs/dbraw/zinc/26/27/71/245262771.db2.gz RKSRMAQPTFFXPC-CVEARBPZSA-N 2 3 296.503 1.652 10 0 CDAEHP C[C@H](NCCC[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000423185234 392425646 /nfs/dbraw/zinc/42/56/46/392425646.db2.gz UUOAFBCKFQTBMF-ZDUSSCGKSA-N 2 3 265.401 1.626 10 0 CDAEHP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)[C@@H]2CCCN[C@@H]21 ZINC000925705151 617784864 /nfs/dbraw/zinc/78/48/64/617784864.db2.gz HZLPYVSYXZBXSJ-XGFWRYKXSA-N 2 3 251.418 1.480 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000903458635 625994480 /nfs/dbraw/zinc/99/44/80/625994480.db2.gz FXZMZUDGHGGSHJ-OEAJRASXSA-N 2 3 281.444 1.060 10 0 CDAEHP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000925839737 819562533 /nfs/dbraw/zinc/56/25/33/819562533.db2.gz DAJQNYNJHFVCHH-HOTGVXAUSA-N 2 3 282.476 1.182 10 0 CDAEHP [NH3+]C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000872152392 820991111 /nfs/dbraw/zinc/99/11/11/820991111.db2.gz QOWARTVFSPZFQF-UTUOFQBUSA-N 2 3 279.350 1.445 10 0 CDAEHP [NH3+]CCCCCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000846220302 821860458 /nfs/dbraw/zinc/86/04/58/821860458.db2.gz ODFWCDJKTZGGKA-HUUCEWRRSA-N 2 3 253.434 1.970 10 0 CDAEHP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@H]1CCCCN1 ZINC000423514196 359835438 /nfs/dbraw/zinc/83/54/38/359835438.db2.gz SLXFAXDUEXUXES-ZGRYLRDCSA-N 2 3 294.487 1.323 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000423039163 392293302 /nfs/dbraw/zinc/29/33/02/392293302.db2.gz DUBDTCVITNIDQG-JYJNAYRXSA-N 2 3 297.487 1.983 10 0 CDAEHP COC[C@H](CCC[NH3+])N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423039163 392293306 /nfs/dbraw/zinc/29/33/06/392293306.db2.gz DUBDTCVITNIDQG-JYJNAYRXSA-N 2 3 297.487 1.983 10 0 CDAEHP COC[C@H](CCC[NH3+])N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423039163 392293309 /nfs/dbraw/zinc/29/33/09/392293309.db2.gz DUBDTCVITNIDQG-JYJNAYRXSA-N 2 3 297.487 1.983 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000422741821 536850718 /nfs/dbraw/zinc/85/07/18/536850718.db2.gz PDARSBQNGMIMBA-GJZGRUSLSA-N 2 3 271.449 1.450 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000422741821 536850722 /nfs/dbraw/zinc/85/07/22/536850722.db2.gz PDARSBQNGMIMBA-GJZGRUSLSA-N 2 3 271.449 1.450 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000422741821 536850727 /nfs/dbraw/zinc/85/07/27/536850727.db2.gz PDARSBQNGMIMBA-GJZGRUSLSA-N 2 3 271.449 1.450 10 0 CDAEHP CCN1CC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000925846344 617881809 /nfs/dbraw/zinc/88/18/09/617881809.db2.gz SBKCCNKHBQDPQY-IAGOWNOFSA-N 2 3 296.503 1.382 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903461071 625995681 /nfs/dbraw/zinc/99/56/81/625995681.db2.gz OJZGVTURDIQHOI-CWVYHPPDSA-N 2 3 281.444 1.060 10 0 CDAEHP C[C@]1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCNC1 ZINC000903919566 626146592 /nfs/dbraw/zinc/14/65/92/626146592.db2.gz OATAPIIFGBIYQV-DKUMPPAJSA-N 2 3 251.418 1.496 10 0 CDAEHP [NH3+]C[C@@]1(c2ccccc2)C[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925882832 825852754 /nfs/dbraw/zinc/85/27/54/825852754.db2.gz VHLWOTRXOMOFKH-NCOADZHNSA-N 2 3 285.435 1.905 10 0 CDAEHP C[NH2+]CCOCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000629531771 362162513 /nfs/dbraw/zinc/16/25/13/362162513.db2.gz XQKIPLVDNAVEGD-RRFJBIMHSA-N 2 3 269.433 1.123 10 0 CDAEHP C[C@H](O)C[NH+]1CCC(CN(C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262114190 359134831 /nfs/dbraw/zinc/13/48/31/359134831.db2.gz WVIJWHONRATTNQ-HOCLYGCPSA-N 2 3 283.460 1.011 10 0 CDAEHP COC[C@H](CCC[NH3+])NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422878431 293096307 /nfs/dbraw/zinc/09/63/07/293096307.db2.gz JDKQZLAFVOTJLE-JYJNAYRXSA-N 2 3 285.476 1.698 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1 ZINC000422878431 293096309 /nfs/dbraw/zinc/09/63/09/293096309.db2.gz JDKQZLAFVOTJLE-JYJNAYRXSA-N 2 3 285.476 1.698 10 0 CDAEHP C(CNC1CC1)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923385623 828839597 /nfs/dbraw/zinc/83/95/97/828839597.db2.gz BLAUQTSOZXWHPH-HNNXBMFYSA-N 2 3 265.445 1.840 10 0 CDAEHP C(CNC1CC1)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923385623 828839598 /nfs/dbraw/zinc/83/95/98/828839598.db2.gz BLAUQTSOZXWHPH-HNNXBMFYSA-N 2 3 265.445 1.840 10 0 CDAEHP C(C[NH2+]C1CC1)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923385623 828839599 /nfs/dbraw/zinc/83/95/99/828839599.db2.gz BLAUQTSOZXWHPH-HNNXBMFYSA-N 2 3 265.445 1.840 10 0 CDAEHP CC[NH+]1CCN(CCCN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925546837 833347324 /nfs/dbraw/zinc/34/73/24/833347324.db2.gz QDCXUDDGNNWXOM-INIZCTEOSA-N 2 3 294.487 1.278 10 0 CDAEHP CNC[C@](C)(O)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158235 833371907 /nfs/dbraw/zinc/37/19/07/833371907.db2.gz UGNWDKRQCBFEKU-OIISXLGYSA-N 2 3 297.487 1.576 10 0 CDAEHP CNC[C@](C)(O)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158235 833371909 /nfs/dbraw/zinc/37/19/09/833371909.db2.gz UGNWDKRQCBFEKU-OIISXLGYSA-N 2 3 297.487 1.576 10 0 CDAEHP C[NH2+]C[C@](C)(O)CN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158235 833371912 /nfs/dbraw/zinc/37/19/12/833371912.db2.gz UGNWDKRQCBFEKU-OIISXLGYSA-N 2 3 297.487 1.576 10 0 CDAEHP C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000715519617 833849868 /nfs/dbraw/zinc/84/98/68/833849868.db2.gz UZSDKNJNGKGLKO-FGZQJIAISA-N 2 3 253.434 1.966 10 0 CDAEHP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCOCCC[NH3+] ZINC000629541140 362964833 /nfs/dbraw/zinc/96/48/33/362964833.db2.gz WPOJXLIGIXUIHD-KGLIPLIRSA-N 2 3 257.422 1.252 10 0 CDAEHP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)[C@@H]1CCCCN1 ZINC000423514193 359835940 /nfs/dbraw/zinc/83/59/40/359835940.db2.gz SLXFAXDUEXUXES-OTBWCIGPSA-N 2 3 294.487 1.323 10 0 CDAEHP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCCNC1 ZINC000562958614 293226343 /nfs/dbraw/zinc/22/63/43/293226343.db2.gz CKOGUNFNBSYGKQ-UKRRQHHQSA-N 2 3 253.434 1.696 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC1CC[NH+](C2CCCC2)CC1 ZINC000422829258 536594016 /nfs/dbraw/zinc/59/40/16/536594016.db2.gz BOMUZMLSOIMMOY-OAHLLOKOSA-N 2 3 283.460 1.737 10 0 CDAEHP C([NH2+][C@@H]1CCNC12CCC2)C1CC[NH+](C2CC2)CC1 ZINC000925658870 842886464 /nfs/dbraw/zinc/88/64/64/842886464.db2.gz JTOPTYQZBIVSHS-OAHLLOKOSA-N 2 3 263.429 1.735 10 0 CDAEHP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCCNC2)CC[NH2+]CC1 ZINC000423555927 359856117 /nfs/dbraw/zinc/85/61/17/359856117.db2.gz MDJGLUNNSNURSV-UONOGXRCSA-N 2 3 297.443 1.040 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000422829871 293098237 /nfs/dbraw/zinc/09/82/37/293098237.db2.gz CECUDDVKQRDBRS-IHRRRGAJSA-N 2 3 257.422 1.203 10 0 CDAEHP COC[C@H](CCC[NH3+])N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000422829871 293098241 /nfs/dbraw/zinc/09/82/41/293098241.db2.gz CECUDDVKQRDBRS-IHRRRGAJSA-N 2 3 257.422 1.203 10 0 CDAEHP COCC[NH2+]C1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000570848337 294322783 /nfs/dbraw/zinc/32/27/83/294322783.db2.gz IALYUYWVYIIQOQ-ZIAGYGMSSA-N 2 3 269.433 1.075 10 0 CDAEHP C[NH+](C)CC1CCN(Cc2cc(C[NH3+])co2)CC1 ZINC000052515366 524049980 /nfs/dbraw/zinc/04/99/80/524049980.db2.gz MKUDYFTXZYYZKQ-UHFFFAOYSA-N 2 3 251.374 1.512 10 0 CDAEHP CC1(C)[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)[C@@H]2CCCN[C@@H]21 ZINC000925708697 617799649 /nfs/dbraw/zinc/79/96/49/617799649.db2.gz SFCJFDQCAYCHLN-UGYDUONOSA-N 2 3 277.456 1.741 10 0 CDAEHP C[C@@H]1C[C@@H](C[N@@H+]2CCN(c3ccncc3)[C@@H](C)C2)CC[NH2+]1 ZINC000903937252 626155326 /nfs/dbraw/zinc/15/53/26/626155326.db2.gz GFQIBTKHAXXECB-PMPSAXMXSA-N 2 3 288.439 1.980 10 0 CDAEHP C[C@@H]1C[C@@H](C[N@H+]2CCN(c3ccncc3)[C@@H](C)C2)CC[NH2+]1 ZINC000903937252 626155328 /nfs/dbraw/zinc/15/53/28/626155328.db2.gz GFQIBTKHAXXECB-PMPSAXMXSA-N 2 3 288.439 1.980 10 0 CDAEHP C(CNC1CC1)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923385624 844202879 /nfs/dbraw/zinc/20/28/79/844202879.db2.gz BLAUQTSOZXWHPH-OAHLLOKOSA-N 2 3 265.445 1.840 10 0 CDAEHP C(CNC1CC1)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923385624 844202898 /nfs/dbraw/zinc/20/28/98/844202898.db2.gz BLAUQTSOZXWHPH-OAHLLOKOSA-N 2 3 265.445 1.840 10 0 CDAEHP C(C[NH2+]C1CC1)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923385624 844202915 /nfs/dbraw/zinc/20/29/15/844202915.db2.gz BLAUQTSOZXWHPH-OAHLLOKOSA-N 2 3 265.445 1.840 10 0 CDAEHP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925699893 845628186 /nfs/dbraw/zinc/62/81/86/845628186.db2.gz LVKUAMLFWKNGSN-RFQIPJPRSA-N 2 3 253.434 1.870 10 0 CDAEHP CCO[C@@H]1CN(CCCC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000652356257 424304409 /nfs/dbraw/zinc/30/44/09/424304409.db2.gz YRHKCYBMZLCVTK-HUUCEWRRSA-N 2 3 269.433 1.062 10 0 CDAEHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925713925 617819040 /nfs/dbraw/zinc/81/90/40/617819040.db2.gz ZIPYQNSHZZOKFA-VHDGCEQUSA-N 2 3 253.434 1.872 10 0 CDAEHP CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903498285 626008544 /nfs/dbraw/zinc/00/85/44/626008544.db2.gz BWVDIOXDSUHHKH-IAGOWNOFSA-N 2 3 296.503 1.319 10 0 CDAEHP CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903498285 626008546 /nfs/dbraw/zinc/00/85/46/626008546.db2.gz BWVDIOXDSUHHKH-IAGOWNOFSA-N 2 3 296.503 1.319 10 0 CDAEHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925540431 849107255 /nfs/dbraw/zinc/10/72/55/849107255.db2.gz GJFDLSYOOIJBQW-MGPQQGTHSA-N 2 3 269.433 1.203 10 0 CDAEHP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925540431 849107267 /nfs/dbraw/zinc/10/72/67/849107267.db2.gz GJFDLSYOOIJBQW-MGPQQGTHSA-N 2 3 269.433 1.203 10 0 CDAEHP CC(C)(C)N1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713127 398155404 /nfs/dbraw/zinc/15/54/04/398155404.db2.gz GUTXVDXAVGTKOW-UHFFFAOYSA-N 2 3 253.434 1.968 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000422741823 536596812 /nfs/dbraw/zinc/59/68/12/536596812.db2.gz PDARSBQNGMIMBA-LSDHHAIUSA-N 2 3 271.449 1.450 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000422741823 536596818 /nfs/dbraw/zinc/59/68/18/536596818.db2.gz PDARSBQNGMIMBA-LSDHHAIUSA-N 2 3 271.449 1.450 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000422741823 536596820 /nfs/dbraw/zinc/59/68/20/536596820.db2.gz PDARSBQNGMIMBA-LSDHHAIUSA-N 2 3 271.449 1.450 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)CN1CCCC1 ZINC000234787768 536851011 /nfs/dbraw/zinc/85/10/11/536851011.db2.gz ZYPOBAQYCUABPC-KGLIPLIRSA-N 2 3 257.422 1.062 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000234787768 536851012 /nfs/dbraw/zinc/85/10/12/536851012.db2.gz ZYPOBAQYCUABPC-KGLIPLIRSA-N 2 3 257.422 1.062 10 0 CDAEHP C[C@@H]([NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C)C1CC[NH2+]CC1 ZINC000925725875 705810892 /nfs/dbraw/zinc/81/08/92/705810892.db2.gz CZCVYUGJXGMMOA-RZFFKMDDSA-N 2 3 265.445 1.741 10 0 CDAEHP CC(C)CN(C)CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000650740857 398171091 /nfs/dbraw/zinc/17/10/91/398171091.db2.gz STZIJPBLVVKTCG-BZUAXINKSA-N 2 3 267.461 1.942 10 0 CDAEHP [NH3+]CCCOCCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000629537141 362952173 /nfs/dbraw/zinc/95/21/73/362952173.db2.gz IEORWPFTPSSFAK-HZPDHXFCSA-N 2 3 277.412 1.435 10 0 CDAEHP C[C@H](NCCC[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000423175920 392414389 /nfs/dbraw/zinc/41/43/89/392414389.db2.gz FQASCMBZFDFXES-ZDUSSCGKSA-N 2 3 265.401 1.626 10 0 CDAEHP C(C[C@@H]1CC[NH2+]C1)[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925694709 617715689 /nfs/dbraw/zinc/71/56/89/617715689.db2.gz SCYOBCVHGURIRP-CWRNSKLLSA-N 2 3 265.445 1.744 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925791556 617716969 /nfs/dbraw/zinc/71/69/69/617716969.db2.gz AZFXHPAHWSDDAN-SIXLDLHFSA-N 2 3 279.472 1.990 10 0 CDAEHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623443000 346757585 /nfs/dbraw/zinc/75/75/85/346757585.db2.gz LEEWQYJJRXLBMT-HUUCEWRRSA-N 2 3 285.476 1.806 10 0 CDAEHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623443000 346757587 /nfs/dbraw/zinc/75/75/87/346757587.db2.gz LEEWQYJJRXLBMT-HUUCEWRRSA-N 2 3 285.476 1.806 10 0 CDAEHP CC[NH+]1CCC(CN2CC[C@H]([NH2+]C)C[C@@H]2C)CC1 ZINC000044518854 175191602 /nfs/dbraw/zinc/19/16/02/175191602.db2.gz DNZVVKODMWKLCE-ZFWWWQNUSA-N 2 3 253.434 1.791 10 0 CDAEHP C[C@@]1(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCNC1 ZINC000903919567 626146777 /nfs/dbraw/zinc/14/67/77/626146777.db2.gz OATAPIIFGBIYQV-JALIKCBVSA-N 2 3 251.418 1.496 10 0 CDAEHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925819691 932941734 /nfs/dbraw/zinc/94/17/34/932941734.db2.gz YFSCRNZYHKKZDK-LSDHHAIUSA-N 2 3 290.455 1.307 10 0 CDAEHP CC(C)C[C@@H](N)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333205100 205116043 /nfs/dbraw/zinc/11/60/43/205116043.db2.gz YTZNEGKBQKOORO-KFWWJZLASA-N 2 3 281.444 1.060 10 0 CDAEHP CC(C)C[C@@H](N)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333205100 205116046 /nfs/dbraw/zinc/11/60/46/205116046.db2.gz YTZNEGKBQKOORO-KFWWJZLASA-N 2 3 281.444 1.060 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000903453730 626001474 /nfs/dbraw/zinc/00/14/74/626001474.db2.gz JZDBPVWNUXKVGS-VHDGCEQUSA-N 2 3 251.418 1.306 10 0 CDAEHP CC[NH+]1CCC(C[NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000643453725 370580536 /nfs/dbraw/zinc/58/05/36/370580536.db2.gz VTPJKKOXGLRHJZ-ZFWWWQNUSA-N 2 3 253.434 1.696 10 0 CDAEHP CC[NH+]1CCC(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422791360 245260137 /nfs/dbraw/zinc/26/01/37/245260137.db2.gz UWYSUUUAARBXBY-XYPWUTKMSA-N 2 3 265.445 1.981 10 0 CDAEHP CCc1cc(N[C@@H](C)C[N@H+](C)CCCN(C)C)cc[nH+]1 ZINC000664196787 413140685 /nfs/dbraw/zinc/14/06/85/413140685.db2.gz WHZZMXHKFNUIER-AWEZNQCLSA-N 2 3 278.444 1.750 10 0 CDAEHP CCc1cc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc[nH+]1 ZINC000664196787 413140688 /nfs/dbraw/zinc/14/06/88/413140688.db2.gz WHZZMXHKFNUIER-AWEZNQCLSA-N 2 3 278.444 1.750 10 0 CDAEHP CC(C)[C@H]([NH3+])CCNCc1ccc2c(c1)C[NH2+]CC2 ZINC000663502166 414300416 /nfs/dbraw/zinc/30/04/16/414300416.db2.gz CZAGQWQIGLWPOC-MRXNPFEDSA-N 2 3 261.413 1.795 10 0 CDAEHP C[NH2+]Cc1ccoc1CN1CCC(C[NH+](C)C)CC1 ZINC000052515280 522139388 /nfs/dbraw/zinc/13/93/88/522139388.db2.gz KBPVORPVCKRKMX-UHFFFAOYSA-N 2 3 265.401 1.773 10 0 CDAEHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)C1 ZINC000925701770 679619025 /nfs/dbraw/zinc/61/90/25/679619025.db2.gz FKUQHIFJPVQNMR-QKGCVVFFSA-N 2 3 265.445 1.693 10 0 CDAEHP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)C1CNC1 ZINC000925806449 677970802 /nfs/dbraw/zinc/97/08/02/677970802.db2.gz DHKCEIJRBCGMEX-ZDUSSCGKSA-N 2 3 253.434 1.744 10 0 CDAEHP CC1(C)[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)[C@@H]2CCCN[C@@H]21 ZINC000925727150 678487778 /nfs/dbraw/zinc/48/77/78/678487778.db2.gz ZGYXEQSGIVPAPT-ARILJUKYSA-N 2 3 265.445 1.870 10 0 CDAEHP [NH3+]CCCOCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925718227 678864256 /nfs/dbraw/zinc/86/42/56/678864256.db2.gz NEGSBLCQWZBLDG-LSDHHAIUSA-N 2 3 269.433 1.110 10 0 CDAEHP CC(C)C[C@H](N)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708879 398154172 /nfs/dbraw/zinc/15/41/72/398154172.db2.gz SADVSEHNMLJMLY-XUWVNRHRSA-N 2 3 283.460 1.578 10 0 CDAEHP CC(C)C[C@H](N)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708879 398154175 /nfs/dbraw/zinc/15/41/75/398154175.db2.gz SADVSEHNMLJMLY-XUWVNRHRSA-N 2 3 283.460 1.578 10 0 CDAEHP CC(C)CN(C)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000650740858 398170972 /nfs/dbraw/zinc/17/09/72/398170972.db2.gz STZIJPBLVVKTCG-HRCADAONSA-N 2 3 267.461 1.942 10 0 CDAEHP COC[C@@H](CCC[NH3+])NCCC[NH+]1CCC(C)CC1 ZINC000234716304 536595156 /nfs/dbraw/zinc/59/51/56/536595156.db2.gz XFBITVPKZQOHOW-OAHLLOKOSA-N 2 3 271.449 1.452 10 0 CDAEHP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000655804914 414197742 /nfs/dbraw/zinc/19/77/42/414197742.db2.gz FXGIHBDHYRGCAX-TUVASFSCSA-N 2 3 251.418 1.543 10 0 CDAEHP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCCNC1 ZINC000562958615 293226208 /nfs/dbraw/zinc/22/62/08/293226208.db2.gz CKOGUNFNBSYGKQ-ZFWWWQNUSA-N 2 3 253.434 1.696 10 0 CDAEHP CCN(CC)CCC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903927492 626148977 /nfs/dbraw/zinc/14/89/77/626148977.db2.gz RZDZSACQWIVLOA-GOOCMWNKSA-N 2 3 253.434 1.839 10 0 CDAEHP CCO[C@@H](CC[NH+](C)C)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925544047 681646742 /nfs/dbraw/zinc/64/67/42/681646742.db2.gz XTLIGSYMLYIJGY-XUWVNRHRSA-N 2 3 297.487 1.709 10 0 CDAEHP C(CC[NH2+]C1CCN(C2CC2)CC1)CC[NH+]1CCNCC1 ZINC000925842319 682710998 /nfs/dbraw/zinc/71/09/98/682710998.db2.gz LOBWFSYZSUGBMV-UHFFFAOYSA-N 2 3 294.487 1.278 10 0 CDAEHP [NH3+]C[C@@]1(c2ccccc2)C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925882833 683589924 /nfs/dbraw/zinc/58/99/24/683589924.db2.gz VHLWOTRXOMOFKH-VQHPVUNQSA-N 2 3 285.435 1.905 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]CC1(N)CCCCCC1 ZINC000423200528 392437892 /nfs/dbraw/zinc/43/78/92/392437892.db2.gz MIMLBLBOFKYUDT-CYBMUJFWSA-N 2 3 257.422 1.382 10 0 CDAEHP COC[C@@H](CCC[NH3+])NCC1([NH3+])CCCCCC1 ZINC000423200528 392437897 /nfs/dbraw/zinc/43/78/97/392437897.db2.gz MIMLBLBOFKYUDT-CYBMUJFWSA-N 2 3 257.422 1.382 10 0 CDAEHP CCN(CC)CCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000191484945 270290778 /nfs/dbraw/zinc/29/07/78/270290778.db2.gz AEBTVOPCINRENX-MRXNPFEDSA-N 2 3 299.503 1.743 10 0 CDAEHP CCN(CC)CCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000191484945 270290780 /nfs/dbraw/zinc/29/07/80/270290780.db2.gz AEBTVOPCINRENX-MRXNPFEDSA-N 2 3 299.503 1.743 10 0 CDAEHP CC[NH+](CC)CCCN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000191484945 270290782 /nfs/dbraw/zinc/29/07/82/270290782.db2.gz AEBTVOPCINRENX-MRXNPFEDSA-N 2 3 299.503 1.743 10 0 CDAEHP CC1(C)[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)[C@@H]2CCCN[C@@H]21 ZINC000925705150 617784276 /nfs/dbraw/zinc/78/42/76/617784276.db2.gz HZLPYVSYXZBXSJ-PDWCTOEPSA-N 2 3 251.418 1.480 10 0 CDAEHP C[C@H](CCC[NH3+])[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925713927 617818316 /nfs/dbraw/zinc/81/83/16/617818316.db2.gz ZIPYQNSHZZOKFA-YUELXQCFSA-N 2 3 253.434 1.872 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000903966778 626172212 /nfs/dbraw/zinc/17/22/12/626172212.db2.gz CADHPYMJLCKFFG-IWCQGFGOSA-N 2 3 273.424 1.925 10 0 CDAEHP C[C@H](CCCC[NH3+])[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925699892 684815293 /nfs/dbraw/zinc/81/52/93/684815293.db2.gz LVKUAMLFWKNGSN-MQYQWHSLSA-N 2 3 253.434 1.870 10 0 CDAEHP CN1CC[C@H](C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123973824 687062513 /nfs/dbraw/zinc/06/25/13/687062513.db2.gz SEOANCXHLBZDBM-AWEZNQCLSA-N 2 3 273.424 1.716 10 0 CDAEHP CN1CC[C@H](C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000123973824 687062514 /nfs/dbraw/zinc/06/25/14/687062514.db2.gz SEOANCXHLBZDBM-AWEZNQCLSA-N 2 3 273.424 1.716 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925791553 687556785 /nfs/dbraw/zinc/55/67/85/687556785.db2.gz AZFXHPAHWSDDAN-DZUCGIPZSA-N 2 3 279.472 1.990 10 0 CDAEHP CCOC(=O)C1([C@H](C)NCC[C@@H]([NH3+])C(C)C)CC[NH2+]CC1 ZINC000596652838 343371679 /nfs/dbraw/zinc/37/16/79/343371679.db2.gz JBLSMMLDDXVCFQ-UONOGXRCSA-N 2 3 299.459 1.271 10 0 CDAEHP C[C@]12C[NH2+]C[C@@]1(C)CN(CC[C@@H]1CCC[NH2+]C1)C2 ZINC000629592373 363102796 /nfs/dbraw/zinc/10/27/96/363102796.db2.gz AYKWSRWKEAVOID-SOUVJXGZSA-N 2 3 251.418 1.308 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC1CC[NH+](CC(C)C)CC1 ZINC000422821628 359661231 /nfs/dbraw/zinc/66/12/31/359661231.db2.gz XNYFJZFPWAPIMR-OAHLLOKOSA-N 2 3 271.449 1.450 10 0 CDAEHP CN(C)C1CC[NH+](CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000043591909 175074208 /nfs/dbraw/zinc/07/42/08/175074208.db2.gz VIJIFBSOOSCUHB-CQSZACIVSA-N 2 3 253.434 1.792 10 0 CDAEHP CC[NH+]1CCC(C[N@H+]2[C@@H]3CC[C@H]2CC(N)C3)CC1 ZINC000054629494 521548725 /nfs/dbraw/zinc/54/87/25/521548725.db2.gz OMGUUSCKXFJNPT-GOOCMWNKSA-N 2 3 251.418 1.672 10 0 CDAEHP CC[NH+]1CCC(C[N@@H+]2[C@@H]3CC[C@H]2CC(N)C3)CC1 ZINC000054629494 521548728 /nfs/dbraw/zinc/54/87/28/521548728.db2.gz OMGUUSCKXFJNPT-GOOCMWNKSA-N 2 3 251.418 1.672 10 0 CDAEHP [NH3+]C[C@@]1(c2ccccc2)C[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000925881622 617965770 /nfs/dbraw/zinc/96/57/70/617965770.db2.gz JYFKUMJBEXXPFH-CAOSSQGBSA-N 2 3 259.397 1.515 10 0 CDAEHP C[C@H]1C[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1c1ccncc1 ZINC000903482955 626006752 /nfs/dbraw/zinc/00/67/52/626006752.db2.gz ZZKFQZQUPFBVAX-ZNMIVQPWSA-N 2 3 274.412 1.720 10 0 CDAEHP C[C@H]1C[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)CCN1c1ccncc1 ZINC000903482955 626006755 /nfs/dbraw/zinc/00/67/55/626006755.db2.gz ZZKFQZQUPFBVAX-ZNMIVQPWSA-N 2 3 274.412 1.720 10 0 CDAEHP [NH3+]C1CCN(CCN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925817377 692153859 /nfs/dbraw/zinc/15/38/59/692153859.db2.gz QYGRALZJDCUCGE-DLBZAZTESA-N 2 3 294.487 1.167 10 0 CDAEHP [NH3+]CCCCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842475030 694519193 /nfs/dbraw/zinc/51/91/93/694519193.db2.gz IATUGETZESSIAW-HNNXBMFYSA-N 2 3 253.434 1.971 10 0 CDAEHP [NH3+]CCCCCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000846220300 694866925 /nfs/dbraw/zinc/86/69/25/694866925.db2.gz ODFWCDJKTZGGKA-CABCVRRESA-N 2 3 253.434 1.970 10 0 CDAEHP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCN1CCCCC1)C2 ZINC000709888454 923229706 /nfs/dbraw/zinc/22/97/06/923229706.db2.gz NJINCCFWDWABMJ-KKUMJFAQSA-N 2 3 251.418 1.674 10 0 CDAEHP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCN1CCCCC1)C2 ZINC000709888454 923229719 /nfs/dbraw/zinc/22/97/19/923229719.db2.gz NJINCCFWDWABMJ-KKUMJFAQSA-N 2 3 251.418 1.674 10 0 CDAEHP CN1CCC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925557563 932905863 /nfs/dbraw/zinc/90/58/63/932905863.db2.gz PKUCWLAGWQASGB-RDBSUJKOSA-N 2 3 253.434 1.824 10 0 CDAEHP CC[NH2+]CCCCCCN1CCN(CC[NH+](C)C)CC1 ZINC000071289831 176110537 /nfs/dbraw/zinc/11/05/37/176110537.db2.gz ZRVGCOFJSAIZJT-UHFFFAOYSA-N 2 3 284.492 1.336 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000234787799 293095829 /nfs/dbraw/zinc/09/58/29/293095829.db2.gz UHTSQCQIPGIXBA-CABCVRRESA-N 2 3 271.449 1.452 10 0 CDAEHP COC[C@H](CCC[NH3+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000234787799 293095832 /nfs/dbraw/zinc/09/58/32/293095832.db2.gz UHTSQCQIPGIXBA-CABCVRRESA-N 2 3 271.449 1.452 10 0 CDAEHP CC(C)[NH2+]C[C@H](C)CN1CCC(C[NH+](C)C)CC1 ZINC000052515257 519724273 /nfs/dbraw/zinc/72/42/73/519724273.db2.gz SMTIZYSJKRFVQR-AWEZNQCLSA-N 2 3 255.450 1.894 10 0 CDAEHP CC(C)C[C@@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980152 626170346 /nfs/dbraw/zinc/17/03/46/626170346.db2.gz KCFUCOVLKSEPIZ-OIISXLGYSA-N 2 3 294.487 1.260 10 0 CDAEHP CC(C)C[C@@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980152 626170347 /nfs/dbraw/zinc/17/03/47/626170347.db2.gz KCFUCOVLKSEPIZ-OIISXLGYSA-N 2 3 294.487 1.260 10 0 CDAEHP CC(C)C[C@@H]([NH3+])CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980152 626170348 /nfs/dbraw/zinc/17/03/48/626170348.db2.gz KCFUCOVLKSEPIZ-OIISXLGYSA-N 2 3 294.487 1.260 10 0 CDAEHP CN1CCC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925557558 932905624 /nfs/dbraw/zinc/90/56/24/932905624.db2.gz PKUCWLAGWQASGB-HZSPNIEDSA-N 2 3 253.434 1.824 10 0 CDAEHP C[C@@H](N)C[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233483 413957200 /nfs/dbraw/zinc/95/72/00/413957200.db2.gz IWOSVJSUGFEQGW-KGLIPLIRSA-N 2 3 283.460 1.593 10 0 CDAEHP CC(C)C[NH2+]CCCCN1CCN(CC[NH+](C)C)CC1 ZINC000061654842 519743138 /nfs/dbraw/zinc/74/31/38/519743138.db2.gz PVKCSFXZDWREFM-UHFFFAOYSA-N 2 3 284.492 1.191 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000903461072 625995860 /nfs/dbraw/zinc/99/58/60/625995860.db2.gz OJZGVTURDIQHOI-LYYZXLFJSA-N 2 3 281.444 1.060 10 0 CDAEHP CC[NH+]1CCC(NC(=O)CN(C)CCCCCC[NH3+])CC1 ZINC000872155579 1165388824 /nfs/dbraw/zinc/38/88/24/1165388824.db2.gz RBRGHUWSDWRHEO-UHFFFAOYSA-N 2 3 298.475 1.038 10 0 CDAEHP C[NH+](C)CCCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693667701 897155364 /nfs/dbraw/zinc/15/53/64/897155364.db2.gz ONYBFTUFVZJBTN-MJBXVCDLSA-N 2 3 253.434 1.694 10 0 CDAEHP CCC1(N(C)C)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000631865262 376745761 /nfs/dbraw/zinc/74/57/61/376745761.db2.gz FGSBNACHOFAUJV-UHFFFAOYSA-N 2 3 253.434 1.792 10 0 CDAEHP CC(C)[NH2+]CCCCCN1CCN(CC[NH+](C)C)CC1 ZINC000061654967 519720430 /nfs/dbraw/zinc/72/04/30/519720430.db2.gz HMAIAVQQQNNMMZ-UHFFFAOYSA-N 2 3 284.492 1.334 10 0 CDAEHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925700198 932928178 /nfs/dbraw/zinc/92/81/78/932928178.db2.gz NKSNFHWAWUUOER-IHRRRGAJSA-N 2 3 251.418 1.626 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000925692522 617701724 /nfs/dbraw/zinc/70/17/24/617701724.db2.gz LZRJLNNZBUCDNY-LSUUEXMVSA-N 2 3 251.418 1.623 10 0 CDAEHP C[C@H](CCCC[NH3+])N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925799330 617730343 /nfs/dbraw/zinc/73/03/43/617730343.db2.gz SNVGLIDMFSQXHN-ZIAGYGMSSA-N 2 3 269.433 1.252 10 0 CDAEHP CCN1CC[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000925846343 617881659 /nfs/dbraw/zinc/88/16/59/617881659.db2.gz SBKCCNKHBQDPQY-DLBZAZTESA-N 2 3 296.503 1.382 10 0 CDAEHP C1=C(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC[NH2+]C1 ZINC000925699673 932928662 /nfs/dbraw/zinc/92/86/62/932928662.db2.gz PJHYMEONDLXNJB-CVEARBPZSA-N 2 3 263.429 1.664 10 0 CDAEHP C1=C(C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC[NH2+]C1 ZINC000925699673 932928664 /nfs/dbraw/zinc/92/86/64/932928664.db2.gz PJHYMEONDLXNJB-CVEARBPZSA-N 2 3 263.429 1.664 10 0 CDAEHP COC[C@H](CCC[NH3+])NCc1ccc(C[NH3+])cc1F ZINC000650755888 398179497 /nfs/dbraw/zinc/17/94/97/398179497.db2.gz OZZBYKCITLWAIW-ZDUSSCGKSA-N 2 3 269.364 1.128 10 0 CDAEHP C[NH2+]CCOCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000629531618 362163669 /nfs/dbraw/zinc/16/36/69/362163669.db2.gz RLEDWTHEYMKTCD-ZIAGYGMSSA-N 2 3 257.422 1.123 10 0 CDAEHP COC[C@H](CCC[NH3+])NCCC[NH+]1CCCCC1 ZINC000234782910 293095966 /nfs/dbraw/zinc/09/59/66/293095966.db2.gz BWGMKKHDCBNXOL-AWEZNQCLSA-N 2 3 257.422 1.206 10 0 CDAEHP CC1(C)[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H]2CCCN[C@@H]21 ZINC000925708691 617799262 /nfs/dbraw/zinc/79/92/62/617799262.db2.gz SFCJFDQCAYCHLN-SDSMMKDESA-N 2 3 277.456 1.741 10 0 CDAEHP CC1(N2CCOCC2)CCC([NH+]2CCC([NH3+])CC2)CC1 ZINC000725262912 538455255 /nfs/dbraw/zinc/45/52/55/538455255.db2.gz SKZXFOZUIZHIPL-UHFFFAOYSA-N 2 3 281.444 1.443 10 0 CDAEHP C[C@@H]1C[C@H](CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC[NH2+]1 ZINC000647479480 390966663 /nfs/dbraw/zinc/96/66/63/390966663.db2.gz IYDWRYYZHJPAMH-KLHDSHLOSA-N 2 3 265.445 1.839 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000422829872 293097915 /nfs/dbraw/zinc/09/79/15/293097915.db2.gz CECUDDVKQRDBRS-MELADBBJSA-N 2 3 257.422 1.203 10 0 CDAEHP COC[C@H](CCC[NH3+])N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000422829872 293097916 /nfs/dbraw/zinc/09/79/16/293097916.db2.gz CECUDDVKQRDBRS-MELADBBJSA-N 2 3 257.422 1.203 10 0 CDAEHP CCC[NH+]1CCC(C[NH3+])(N2CCN([C@@H](C)CC)CC2)CC1 ZINC000055064723 519842353 /nfs/dbraw/zinc/84/23/53/519842353.db2.gz XRWXFMMEPBCAPN-INIZCTEOSA-N 2 3 296.503 1.606 10 0 CDAEHP CC[C@@H](C)N1CCN(C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000055064802 522119551 /nfs/dbraw/zinc/11/95/51/522119551.db2.gz LCVMKAKTJVIPEY-VPSFDDGASA-N 2 3 294.487 1.357 10 0 CDAEHP CC[C@@H](C)N1CCN(C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000055064802 522119553 /nfs/dbraw/zinc/11/95/53/522119553.db2.gz LCVMKAKTJVIPEY-VPSFDDGASA-N 2 3 294.487 1.357 10 0 CDAEHP C(C[NH2+][C@H]1CCNC[C@H]1C1CCCC1)CN1CC[NH2+]CC1 ZINC000925688774 617683990 /nfs/dbraw/zinc/68/39/90/617683990.db2.gz FLUUTQHQRFZTAN-IRXDYDNUSA-N 2 3 294.487 1.040 10 0 CDAEHP CCN1CCN(CCC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925546869 736988245 /nfs/dbraw/zinc/98/82/45/736988245.db2.gz QOVUGCJISHSIKU-HZPDHXFCSA-N 2 3 296.503 1.510 10 0 CDAEHP CCO[C@H](CC[NH+](C)C)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925544045 737829591 /nfs/dbraw/zinc/82/95/91/737829591.db2.gz XTLIGSYMLYIJGY-LVQVYYBASA-N 2 3 297.487 1.709 10 0 CDAEHP CC(C)C[C@H](N)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650724982 398163354 /nfs/dbraw/zinc/16/33/54/398163354.db2.gz QRXZTSLADRBBKM-QKPAOTATSA-N 2 3 283.460 1.721 10 0 CDAEHP CC(C)C[C@H](N)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650724982 398163358 /nfs/dbraw/zinc/16/33/58/398163358.db2.gz QRXZTSLADRBBKM-QKPAOTATSA-N 2 3 283.460 1.721 10 0 CDAEHP CC(C)C[C@H]([NH3+])CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424368926 360023692 /nfs/dbraw/zinc/02/36/92/360023692.db2.gz ATYYZZATKVYAHQ-KBPBESRZSA-N 2 3 253.434 1.824 10 0 CDAEHP C[NH+](C)CCC[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000662326817 412895293 /nfs/dbraw/zinc/89/52/93/412895293.db2.gz CUWGCMJGBSOIRN-CVEARBPZSA-N 2 3 283.460 1.419 10 0 CDAEHP CCCC[NH+]1CCC(N[C@@H](CCC[NH3+])COC)CC1 ZINC000232959685 140226182 /nfs/dbraw/zinc/22/61/82/140226182.db2.gz CZQLECZTZHGEMP-HNNXBMFYSA-N 2 3 271.449 1.594 10 0 CDAEHP CCC[NH2+]CCC[C@H](C)N1CCN(CC[NH+](C)C)CC1 ZINC000061654955 519913247 /nfs/dbraw/zinc/91/32/47/519913247.db2.gz POUKWJYMIQRTOP-INIZCTEOSA-N 2 3 284.492 1.334 10 0 CDAEHP COC[C@@H](CCC[NH3+])NCCC[NH+]1CCCCC1 ZINC000234716392 536595305 /nfs/dbraw/zinc/59/53/05/536595305.db2.gz BWGMKKHDCBNXOL-CQSZACIVSA-N 2 3 257.422 1.206 10 0 CDAEHP [NH3+][C@@H]1CC[C@H](CN2CCC([NH2+]CC3CC3)CC2)C1 ZINC000903424897 625993865 /nfs/dbraw/zinc/99/38/65/625993865.db2.gz KUIPICNDOGNIJN-UONOGXRCSA-N 2 3 251.418 1.578 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000903445642 625999224 /nfs/dbraw/zinc/99/92/24/625999224.db2.gz MMRWMHCGEZPFPS-CVEARBPZSA-N 2 3 295.471 1.419 10 0 CDAEHP CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158238 1165388558 /nfs/dbraw/zinc/38/85/58/1165388558.db2.gz UGNWDKRQCBFEKU-XIRDDKMYSA-N 2 3 297.487 1.576 10 0 CDAEHP CNC[C@](C)(O)C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158238 1165388563 /nfs/dbraw/zinc/38/85/63/1165388563.db2.gz UGNWDKRQCBFEKU-XIRDDKMYSA-N 2 3 297.487 1.576 10 0 CDAEHP C[NH2+]C[C@](C)(O)CN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158238 1165388568 /nfs/dbraw/zinc/38/85/68/1165388568.db2.gz UGNWDKRQCBFEKU-XIRDDKMYSA-N 2 3 297.487 1.576 10 0 CDAEHP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCC[NH2+]C3CC3)C2)C1 ZINC000923388285 741941723 /nfs/dbraw/zinc/94/17/23/741941723.db2.gz NMHMGKHIHZGSPR-SQWLQELKSA-N 2 3 281.444 1.347 10 0 CDAEHP C(CN1CCC[C@@]2(CC[NH2+]C2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923366737 739354010 /nfs/dbraw/zinc/35/40/10/739354010.db2.gz PXJBWFHCZWQHHT-HMQMGEFJSA-N 2 3 277.456 1.983 10 0 CDAEHP C[C@@H]1CCC[N@H+](CCCNC2CC2)[C@@H]1CCC[NH3+] ZINC000923389955 742556121 /nfs/dbraw/zinc/55/61/21/742556121.db2.gz QVQPBCCXVYYMEM-UKRRQHHQSA-N 2 3 253.434 1.968 10 0 CDAEHP C[C@@H]1CCC[N@@H+](CCCNC2CC2)[C@@H]1CCC[NH3+] ZINC000923389955 742556130 /nfs/dbraw/zinc/55/61/30/742556130.db2.gz QVQPBCCXVYYMEM-UKRRQHHQSA-N 2 3 253.434 1.968 10 0 CDAEHP COCCNC1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846222077 742735246 /nfs/dbraw/zinc/73/52/46/742735246.db2.gz FGZLAKBFCNVQIA-UHFFFAOYSA-N 2 3 257.422 1.206 10 0 CDAEHP CCC[NH2+]CCCCCCN1CCN(CC[NH+](C)C)CC1 ZINC000071289832 176110196 /nfs/dbraw/zinc/11/01/96/176110196.db2.gz FZFUIKBBVYGVEQ-UHFFFAOYSA-N 2 3 298.519 1.726 10 0 CDAEHP CCC[NH2+][C@H](C)CCCN1CCN(CC[NH+](C)C)CC1 ZINC000061643822 520062495 /nfs/dbraw/zinc/06/24/95/520062495.db2.gz ICIDLYTVOIRSGE-MRXNPFEDSA-N 2 3 284.492 1.334 10 0 CDAEHP C[C@@H](C[NH3+])CN1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000049332123 524581757 /nfs/dbraw/zinc/58/17/57/524581757.db2.gz FOFRCXFTBHCQIZ-INIZCTEOSA-N 2 3 282.476 1.075 10 0 CDAEHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799744 617731350 /nfs/dbraw/zinc/73/13/50/617731350.db2.gz ZSRLLBIXJVLIBF-YRGRVCCFSA-N 2 3 276.428 1.745 10 0 CDAEHP CC(C)(C)[NH2+]CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980105 626170446 /nfs/dbraw/zinc/17/04/46/626170446.db2.gz HNOVUUAFWRGALA-IYBDPMFKSA-N 2 3 294.487 1.275 10 0 CDAEHP CC(C)(C)[NH2+]CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980105 626170448 /nfs/dbraw/zinc/17/04/48/626170448.db2.gz HNOVUUAFWRGALA-IYBDPMFKSA-N 2 3 294.487 1.275 10 0 CDAEHP CC(C)(C)[NH2+]CCN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980105 626170451 /nfs/dbraw/zinc/17/04/51/626170451.db2.gz HNOVUUAFWRGALA-IYBDPMFKSA-N 2 3 294.487 1.275 10 0 CDAEHP CC1(C)CNCC[C@H]1[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923368340 746854565 /nfs/dbraw/zinc/85/45/65/746854565.db2.gz ATRDWSQRAJBHPS-JALIKCBVSA-N 2 3 265.445 1.885 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)CN1CCCC1 ZINC000234723070 373587947 /nfs/dbraw/zinc/58/79/47/373587947.db2.gz ZYPOBAQYCUABPC-ZIAGYGMSSA-N 2 3 257.422 1.062 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000234723070 373587952 /nfs/dbraw/zinc/58/79/52/373587952.db2.gz ZYPOBAQYCUABPC-ZIAGYGMSSA-N 2 3 257.422 1.062 10 0 CDAEHP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925713921 617818886 /nfs/dbraw/zinc/81/88/86/617818886.db2.gz ZIPYQNSHZZOKFA-BPLDGKMQSA-N 2 3 253.434 1.872 10 0 CDAEHP C[NH+](C)CCOCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925648373 751362788 /nfs/dbraw/zinc/36/27/88/751362788.db2.gz ASAIJWICIJFYEO-HOTGVXAUSA-N 2 3 283.460 1.323 10 0 CDAEHP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(N3CCCCC3)CC2)C1 ZINC000693559490 896644516 /nfs/dbraw/zinc/64/45/16/896644516.db2.gz MNCZMBBCIHYQCU-OKILXGFUSA-N 2 3 251.418 1.674 10 0 CDAEHP CC(C)CN(C)CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000650740856 398170877 /nfs/dbraw/zinc/17/08/77/398170877.db2.gz STZIJPBLVVKTCG-ARFHVFGLSA-N 2 3 267.461 1.942 10 0 CDAEHP C[NH2+]CCOCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000629531770 362162931 /nfs/dbraw/zinc/16/29/31/362162931.db2.gz XQKIPLVDNAVEGD-RBSFLKMASA-N 2 3 269.433 1.123 10 0 CDAEHP CN1CC[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]2CCC[C@H]21 ZINC000353669356 289170094 /nfs/dbraw/zinc/17/00/94/289170094.db2.gz IXGGQFFVYGDFLJ-RRFJBIMHSA-N 2 3 269.433 1.027 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000925713743 617819536 /nfs/dbraw/zinc/81/95/36/617819536.db2.gz YQQVJFOLOPVETH-MQYQWHSLSA-N 2 3 263.429 1.495 10 0 CDAEHP CC1(C)[C@@H](N[C@@H]2CC23CC[NH2+]CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925713743 617819538 /nfs/dbraw/zinc/81/95/38/617819538.db2.gz YQQVJFOLOPVETH-MQYQWHSLSA-N 2 3 263.429 1.495 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000903460873 625995968 /nfs/dbraw/zinc/99/59/68/625995968.db2.gz KNCBYTQPNCZDIY-YIDVYQOGSA-N 2 3 281.444 1.203 10 0 CDAEHP C([NH2+][C@H]1CCCCC12CC[NH2+]CC2)C12CC(C1)CN2 ZINC000873231053 756863506 /nfs/dbraw/zinc/86/35/06/756863506.db2.gz FTBPAVJLWVLRAN-BBBYJDLNSA-N 2 3 263.429 1.640 10 0 CDAEHP Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879326 757329217 /nfs/dbraw/zinc/32/92/17/757329217.db2.gz BOODGERFRFTJDD-UHTWSYAYSA-N 2 3 262.401 1.627 10 0 CDAEHP C[NH+](C)CCOCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925648377 758008682 /nfs/dbraw/zinc/00/86/82/758008682.db2.gz ASAIJWICIJFYEO-JKSUJKDBSA-N 2 3 283.460 1.323 10 0 CDAEHP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925609295 758610216 /nfs/dbraw/zinc/61/02/16/758610216.db2.gz RZTHRJYOWTWVPY-HUUCEWRRSA-N 2 3 281.444 1.098 10 0 CDAEHP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925609295 758610225 /nfs/dbraw/zinc/61/02/25/758610225.db2.gz RZTHRJYOWTWVPY-HUUCEWRRSA-N 2 3 281.444 1.098 10 0 CDAEHP CCCC[NH+]1CCC(N[C@H](CCC[NH3+])COC)CC1 ZINC000232959847 140225303 /nfs/dbraw/zinc/22/53/03/140225303.db2.gz CZQLECZTZHGEMP-OAHLLOKOSA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]CCCN1CCCC[C@H]1C ZINC000300103596 364124308 /nfs/dbraw/zinc/12/43/08/364124308.db2.gz UVDZLUJBZVDJTJ-CABCVRRESA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@H](CCC[NH3+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000300103596 364124313 /nfs/dbraw/zinc/12/43/13/364124313.db2.gz UVDZLUJBZVDJTJ-CABCVRRESA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@H](CCC[NH3+])NCCC[N@H+]1CCCC[C@H]1C ZINC000300103596 364124320 /nfs/dbraw/zinc/12/43/20/364124320.db2.gz UVDZLUJBZVDJTJ-CABCVRRESA-N 2 3 271.449 1.594 10 0 CDAEHP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]2CCC[C@@H]21 ZINC000423358221 290223313 /nfs/dbraw/zinc/22/33/13/290223313.db2.gz BLBXHSBWHGNISQ-QRTUWBSPSA-N 2 3 251.418 1.719 10 0 CDAEHP C(C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)CN1CC[NH2+]CC1 ZINC000925688772 617683413 /nfs/dbraw/zinc/68/34/13/617683413.db2.gz FLUUTQHQRFZTAN-DLBZAZTESA-N 2 3 294.487 1.040 10 0 CDAEHP C(C[NH2+]C1CC1)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923363116 618322989 /nfs/dbraw/zinc/32/29/89/618322989.db2.gz UILYMBLEQHYQLC-ZIAGYGMSSA-N 2 3 251.418 1.450 10 0 CDAEHP CCCN(C)C[C@H]1CC[N@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445190 625998546 /nfs/dbraw/zinc/99/85/46/625998546.db2.gz HQJCZHWIOINCHL-KFWWJZLASA-N 2 3 253.434 1.778 10 0 CDAEHP CCCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903445190 625998548 /nfs/dbraw/zinc/99/85/48/625998548.db2.gz HQJCZHWIOINCHL-KFWWJZLASA-N 2 3 253.434 1.778 10 0 CDAEHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925687131 772013850 /nfs/dbraw/zinc/01/38/50/772013850.db2.gz YZQRABCYDCTAPJ-ZIAGYGMSSA-N 2 3 251.418 1.593 10 0 CDAEHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925687131 772013858 /nfs/dbraw/zinc/01/38/58/772013858.db2.gz YZQRABCYDCTAPJ-ZIAGYGMSSA-N 2 3 251.418 1.593 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000925702822 772147692 /nfs/dbraw/zinc/14/76/92/772147692.db2.gz AFBUJDKIVAZDRS-ILXRZTDVSA-N 2 3 263.429 1.662 10 0 CDAEHP C[NH2+]Cc1ccccc1C[N@H+](C)C[C@H]1CCN(C)C1 ZINC000071192079 176073442 /nfs/dbraw/zinc/07/34/42/176073442.db2.gz RSULYOSHTMPYCF-AWEZNQCLSA-N 2 3 261.413 1.790 10 0 CDAEHP C[NH2+]Cc1ccccc1C[N@@H+](C)C[C@H]1CCN(C)C1 ZINC000071192079 176073444 /nfs/dbraw/zinc/07/34/44/176073444.db2.gz RSULYOSHTMPYCF-AWEZNQCLSA-N 2 3 261.413 1.790 10 0 CDAEHP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CCC[NH2+]C3CC3)C2)C1 ZINC000923388283 774089016 /nfs/dbraw/zinc/08/90/16/774089016.db2.gz NMHMGKHIHZGSPR-LZWOXQAQSA-N 2 3 281.444 1.347 10 0 CDAEHP C([NH2+][C@@H]1CCCCC12CC[NH2+]CC2)C12CC(C1)CN2 ZINC000873231054 778489795 /nfs/dbraw/zinc/48/97/95/778489795.db2.gz FTBPAVJLWVLRAN-NPCAHTBFSA-N 2 3 263.429 1.640 10 0 CDAEHP C[C@H](CCCC[NH3+])[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925699895 778824058 /nfs/dbraw/zinc/82/40/58/778824058.db2.gz LVKUAMLFWKNGSN-YIYPIFLZSA-N 2 3 253.434 1.870 10 0 CDAEHP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000353690083 374656447 /nfs/dbraw/zinc/65/64/47/374656447.db2.gz RGKCKKQTFNNGMR-ZACQAIPSSA-N 2 3 297.487 1.807 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000423028550 392285758 /nfs/dbraw/zinc/28/57/58/392285758.db2.gz GRIVDBAURZSOKD-HUUCEWRRSA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@@H](CCC[NH3+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000423028550 392285761 /nfs/dbraw/zinc/28/57/61/392285761.db2.gz GRIVDBAURZSOKD-HUUCEWRRSA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000665299143 414044270 /nfs/dbraw/zinc/04/42/70/414044270.db2.gz HKCNXEHOPZYEQH-HZPDHXFCSA-N 2 3 283.460 1.452 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299143 414044278 /nfs/dbraw/zinc/04/42/78/414044278.db2.gz HKCNXEHOPZYEQH-HZPDHXFCSA-N 2 3 283.460 1.452 10 0 CDAEHP COC[C@@H](CCC[NH3+])NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299143 414044281 /nfs/dbraw/zinc/04/42/81/414044281.db2.gz HKCNXEHOPZYEQH-HZPDHXFCSA-N 2 3 283.460 1.452 10 0 CDAEHP C(N1CCC[C@H](C2CC[NH2+]CC2)C1)[C@]12C[C@H]1C[NH2+]C2 ZINC000663496041 414291959 /nfs/dbraw/zinc/29/19/59/414291959.db2.gz COGQIOAANSRQHU-HRCADAONSA-N 2 3 263.429 1.308 10 0 CDAEHP CC(C)CN(CCN(C)C)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000042744676 174864296 /nfs/dbraw/zinc/86/42/96/174864296.db2.gz BIUNRFPDBBZEDP-UHFFFAOYSA-N 2 3 298.519 1.708 10 0 CDAEHP CC(C)C[C@H](N)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415122070 279178919 /nfs/dbraw/zinc/17/89/19/279178919.db2.gz JKUFOTMCVUJGFG-OWCLPIDISA-N 2 3 283.460 1.578 10 0 CDAEHP COC[C@H](CCC[NH3+])NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423525340 293095515 /nfs/dbraw/zinc/09/55/15/293095515.db2.gz KKEQJGAWLURRIE-IKXAHOJESA-N 2 3 295.471 1.484 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423525340 293095519 /nfs/dbraw/zinc/09/55/19/293095519.db2.gz KKEQJGAWLURRIE-IKXAHOJESA-N 2 3 295.471 1.484 10 0 CDAEHP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)C1 ZINC000903443451 625997619 /nfs/dbraw/zinc/99/76/19/625997619.db2.gz CFYGISSQBBHPRA-HRCADAONSA-N 2 3 265.445 1.922 10 0 CDAEHP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](CN3CCCCC3)C2)C1 ZINC000903443451 625997620 /nfs/dbraw/zinc/99/76/20/625997620.db2.gz CFYGISSQBBHPRA-HRCADAONSA-N 2 3 265.445 1.922 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925726227 783043225 /nfs/dbraw/zinc/04/32/25/783043225.db2.gz GUSYZEUVXZNEQW-UKRFAEJPSA-N 2 3 277.456 1.883 10 0 CDAEHP [NH3+]CCCCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842475032 937058323 /nfs/dbraw/zinc/05/83/23/937058323.db2.gz IATUGETZESSIAW-OAHLLOKOSA-N 2 3 253.434 1.971 10 0 CDAEHP COCCN(C)CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925541067 932901889 /nfs/dbraw/zinc/90/18/89/932901889.db2.gz AEUXGYDYNHZPFQ-IAGOWNOFSA-N 2 3 297.487 1.713 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]CCCN1CCCC[C@@H]1C ZINC000234782949 140231769 /nfs/dbraw/zinc/23/17/69/140231769.db2.gz UVDZLUJBZVDJTJ-GJZGRUSLSA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@H](CCC[NH3+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000234782949 140231770 /nfs/dbraw/zinc/23/17/70/140231770.db2.gz UVDZLUJBZVDJTJ-GJZGRUSLSA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@H](CCC[NH3+])NCCC[N@H+]1CCCC[C@@H]1C ZINC000234782949 140231771 /nfs/dbraw/zinc/23/17/71/140231771.db2.gz UVDZLUJBZVDJTJ-GJZGRUSLSA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000423028548 293096161 /nfs/dbraw/zinc/09/61/61/293096161.db2.gz GRIVDBAURZSOKD-CABCVRRESA-N 2 3 271.449 1.594 10 0 CDAEHP COC[C@H](CCC[NH3+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000423028548 293096167 /nfs/dbraw/zinc/09/61/67/293096167.db2.gz GRIVDBAURZSOKD-CABCVRRESA-N 2 3 271.449 1.594 10 0 CDAEHP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903784440 626093372 /nfs/dbraw/zinc/09/33/72/626093372.db2.gz OUTDMSSPJALQTQ-BRWVUGGUSA-N 2 3 293.455 1.221 10 0 CDAEHP [NH3+]CC1(CC[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925701815 932929364 /nfs/dbraw/zinc/92/93/64/932929364.db2.gz GCVLIOMLAXTKJY-GJZGRUSLSA-N 2 3 265.445 1.873 10 0 CDAEHP [NH3+]C[C@@]1(c2ccccc2)C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925882831 932950241 /nfs/dbraw/zinc/95/02/41/932950241.db2.gz VHLWOTRXOMOFKH-MWDXBVQZSA-N 2 3 285.435 1.905 10 0 CDAEHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000665240442 413973131 /nfs/dbraw/zinc/97/31/31/413973131.db2.gz LEXHPYFBGAFKQR-VBQJREDUSA-N 2 3 291.439 1.469 10 0 CDAEHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000665240442 413973138 /nfs/dbraw/zinc/97/31/38/413973138.db2.gz LEXHPYFBGAFKQR-VBQJREDUSA-N 2 3 291.439 1.469 10 0 CDAEHP CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000926665728 617425260 /nfs/dbraw/zinc/42/52/60/617425260.db2.gz KVYGQCRVEZMYAK-KNBMUFOWSA-N 2 3 251.418 1.256 10 0 CDAEHP CC1(C)[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@@H]2CCCN[C@@H]21 ZINC000925690879 617695315 /nfs/dbraw/zinc/69/53/15/617695315.db2.gz HVXIYMXUHHKRLF-YIYPIFLZSA-N 2 3 251.418 1.352 10 0 CDAEHP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(c3ccncc3)CC2)C1 ZINC000903446061 625999338 /nfs/dbraw/zinc/99/93/38/625999338.db2.gz RVVRTFYQINBPCI-UONOGXRCSA-N 2 3 260.385 1.331 10 0 CDAEHP [NH3+]C[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1C(F)(F)F ZINC000903473852 626004643 /nfs/dbraw/zinc/00/46/43/626004643.db2.gz AODNSOWNUDXVLJ-RHYQMDGZSA-N 2 3 279.350 1.573 10 0 CDAEHP CCC[NH+]1CCC(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629558966 363001720 /nfs/dbraw/zinc/00/17/20/363001720.db2.gz OLLSGMJMEAVABF-MRXNPFEDSA-N 2 3 283.460 1.155 10 0 CDAEHP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCNC1 ZINC000643479620 375851117 /nfs/dbraw/zinc/85/11/17/375851117.db2.gz FCEZQRKUOYNRIO-KBPBESRZSA-N 2 3 253.434 1.696 10 0 CDAEHP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNC23CCCC3)CC[NH2+]1 ZINC000647553483 391000608 /nfs/dbraw/zinc/00/06/08/391000608.db2.gz BDBLNSRAZHCQHC-MGPQQGTHSA-N 2 3 251.418 1.639 10 0 CDAEHP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000572423909 294621194 /nfs/dbraw/zinc/62/11/94/294621194.db2.gz RFQOVEYDGVEWGQ-HUUCEWRRSA-N 2 3 253.434 1.968 10 0 CDAEHP CCC[NH2+][C@@H](C)CCCN1CCN(CC[NH+](C)C)CC1 ZINC000061643821 519984879 /nfs/dbraw/zinc/98/48/79/519984879.db2.gz ICIDLYTVOIRSGE-INIZCTEOSA-N 2 3 284.492 1.334 10 0 CDAEHP FC1(F)CCNC[C@@H]1C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903955719 626167001 /nfs/dbraw/zinc/16/70/01/626167001.db2.gz ARGGSOOAJXWHBH-OAHLLOKOSA-N 2 3 295.377 1.667 10 0 CDAEHP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCN1CCCCC1)C2 ZINC000709888456 923229337 /nfs/dbraw/zinc/22/93/37/923229337.db2.gz NJINCCFWDWABMJ-ZNMIVQPWSA-N 2 3 251.418 1.674 10 0 CDAEHP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCN1CCCCC1)C2 ZINC000709888456 923229350 /nfs/dbraw/zinc/22/93/50/923229350.db2.gz NJINCCFWDWABMJ-ZNMIVQPWSA-N 2 3 251.418 1.674 10 0 CDAEHP CC1(C)C[C@@H]([NH2+]C[C@H]2CCN(C3CC3)C2)C[C@@H]([NH3+])C1 ZINC000925536204 932901046 /nfs/dbraw/zinc/90/10/46/932901046.db2.gz CJMCGKHXSSGUSS-MCIONIFRSA-N 2 3 265.445 1.966 10 0 CDAEHP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCCNC1 ZINC000562958612 293226275 /nfs/dbraw/zinc/22/62/75/293226275.db2.gz CKOGUNFNBSYGKQ-DZGCQCFKSA-N 2 3 253.434 1.696 10 0 CDAEHP C[C@H](C[NH2+]C1CC1)CN1CCC(C[NH+](C)C)CC1 ZINC000052515262 524478945 /nfs/dbraw/zinc/47/89/45/524478945.db2.gz CKDDNXPDINZWGS-CYBMUJFWSA-N 2 3 253.434 1.648 10 0 CDAEHP C[C@H](CNC1CC1)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515262 524478956 /nfs/dbraw/zinc/47/89/56/524478956.db2.gz CKDDNXPDINZWGS-CYBMUJFWSA-N 2 3 253.434 1.648 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000925704284 617774162 /nfs/dbraw/zinc/77/41/62/617774162.db2.gz FPZBPQPZTGXDIE-QPSCCSFWSA-N 2 3 265.445 1.885 10 0 CDAEHP CCN1CCN(CCC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925546868 817859235 /nfs/dbraw/zinc/85/92/35/817859235.db2.gz QOVUGCJISHSIKU-HOTGVXAUSA-N 2 3 296.503 1.510 10 0 CDAEHP CC1(C)[C@H]([NH2+]CCC2=CC[NH2+]CC2)[C@@H]2CCCN[C@@H]21 ZINC000925702825 932929588 /nfs/dbraw/zinc/92/95/88/932929588.db2.gz AFBUJDKIVAZDRS-QLFBSQMISA-N 2 3 263.429 1.662 10 0 CDAEHP CN1CC[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)[C@@H]2CCC[C@H]21 ZINC000643522268 361014552 /nfs/dbraw/zinc/01/45/52/361014552.db2.gz KSMVUWHACJKEBI-CBBWQLFWSA-N 2 3 251.418 1.591 10 0 CDAEHP C[C@@H]1C[C@H](C[NH2+][C@H]2CCNC23CCCC3)CC[NH2+]1 ZINC000647553482 391001102 /nfs/dbraw/zinc/00/11/02/391001102.db2.gz BDBLNSRAZHCQHC-MCIONIFRSA-N 2 3 251.418 1.639 10 0 CDAEHP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCC[NH+](C)C ZINC000054629045 519911119 /nfs/dbraw/zinc/91/11/19/519911119.db2.gz UTZYECNNDGPSGS-GOOCMWNKSA-N 2 3 253.434 1.933 10 0 CDAEHP CC[C@@H](C)N1CCN(C2(C[NH3+])CC[NH+](C(C)C)CC2)CC1 ZINC000055064622 522117327 /nfs/dbraw/zinc/11/73/27/522117327.db2.gz HEOJHGVDLLWXIB-MRXNPFEDSA-N 2 3 296.503 1.604 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000903458637 625994388 /nfs/dbraw/zinc/99/43/88/625994388.db2.gz FXZMZUDGHGGSHJ-SYAUCNOPSA-N 2 3 281.444 1.060 10 0 CDAEHP [NH3+]C[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1C(F)(F)F ZINC000903477897 626005612 /nfs/dbraw/zinc/00/56/12/626005612.db2.gz BGRBSECYESNLDG-CHWFTXMASA-N 2 3 265.323 1.183 10 0 CDAEHP [NH3+]C1CCN(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000925815839 820824592 /nfs/dbraw/zinc/82/45/92/820824592.db2.gz AONREFOITLYSCE-GVDBMIGSSA-N 2 3 294.487 1.310 10 0 CDAEHP CCO[C@H](CC[NH+](C)C)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925544046 821115419 /nfs/dbraw/zinc/11/54/19/821115419.db2.gz XTLIGSYMLYIJGY-WCVJEAGWSA-N 2 3 297.487 1.709 10 0 CDAEHP CC(C)C[C@H](N)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708877 398154069 /nfs/dbraw/zinc/15/40/69/398154069.db2.gz SADVSEHNMLJMLY-FZKCQIBNSA-N 2 3 283.460 1.578 10 0 CDAEHP CC(C)C[C@H](N)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708877 398154071 /nfs/dbraw/zinc/15/40/71/398154071.db2.gz SADVSEHNMLJMLY-FZKCQIBNSA-N 2 3 283.460 1.578 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]CC1(N)CCCCCC1 ZINC000423200529 392438393 /nfs/dbraw/zinc/43/83/93/392438393.db2.gz MIMLBLBOFKYUDT-ZDUSSCGKSA-N 2 3 257.422 1.382 10 0 CDAEHP COC[C@H](CCC[NH3+])NCC1([NH3+])CCCCCC1 ZINC000423200529 392438400 /nfs/dbraw/zinc/43/84/00/392438400.db2.gz MIMLBLBOFKYUDT-ZDUSSCGKSA-N 2 3 257.422 1.382 10 0 CDAEHP COCCNC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000652344451 424275629 /nfs/dbraw/zinc/27/56/29/424275629.db2.gz HLZUWSDPLBBIFD-UHFFFAOYSA-N 2 3 283.460 1.467 10 0 CDAEHP COC[C@H](CCC[NH3+])NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422878432 293096073 /nfs/dbraw/zinc/09/60/73/293096073.db2.gz JDKQZLAFVOTJLE-OAGGEKHMSA-N 2 3 285.476 1.698 10 0 CDAEHP COC[C@H](CCC[NH3+])[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000422878432 293096076 /nfs/dbraw/zinc/09/60/76/293096076.db2.gz JDKQZLAFVOTJLE-OAGGEKHMSA-N 2 3 285.476 1.698 10 0 CDAEHP COCCN(C)CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925541063 824445063 /nfs/dbraw/zinc/44/50/63/824445063.db2.gz AEUXGYDYNHZPFQ-DLBZAZTESA-N 2 3 297.487 1.713 10 0 CDAEHP C1=C(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC[NH2+]C1 ZINC000925699678 824759885 /nfs/dbraw/zinc/75/98/85/824759885.db2.gz PJHYMEONDLXNJB-JKSUJKDBSA-N 2 3 263.429 1.664 10 0 CDAEHP C1=C(C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC[NH2+]C1 ZINC000925699678 824759896 /nfs/dbraw/zinc/75/98/96/824759896.db2.gz PJHYMEONDLXNJB-JKSUJKDBSA-N 2 3 263.429 1.664 10 0 CDAEHP [NH3+][C@H]1C[C@H](C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925726933 828810707 /nfs/dbraw/zinc/81/07/07/828810707.db2.gz MBWTWJNIEQSLQX-MXAVVETBSA-N 2 3 251.418 1.482 10 0 CDAEHP C(C[NH2+]C1CC1)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001332335675 957522007 /nfs/dbraw/zinc/52/20/07/957522007.db2.gz ZXBKUNXLEIZHRL-UHFFFAOYSA-N 2 3 251.418 1.594 10 0 CDAEHP C(CNC1CC1)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332335675 957522009 /nfs/dbraw/zinc/52/20/09/957522009.db2.gz ZXBKUNXLEIZHRL-UHFFFAOYSA-N 2 3 251.418 1.594 10 0 CDAEHP C(CNC1CC1)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001332335675 957522017 /nfs/dbraw/zinc/52/20/17/957522017.db2.gz ZXBKUNXLEIZHRL-UHFFFAOYSA-N 2 3 251.418 1.594 10 0 CDAEHP C[C@H]([NH3+])C[C@H](C)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000422792687 392260914 /nfs/dbraw/zinc/26/09/14/392260914.db2.gz RKSRMAQPTFFXPC-HOTGVXAUSA-N 2 3 296.503 1.652 10 0 CDAEHP [NH3+]C[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CC[C@@H]1C(F)(F)F ZINC000903473855 626004691 /nfs/dbraw/zinc/00/46/91/626004691.db2.gz AODNSOWNUDXVLJ-WYUUTHIRSA-N 2 3 279.350 1.573 10 0 CDAEHP C[C@@H]1C[C@@H](CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC[NH2+]1 ZINC000629669419 363308437 /nfs/dbraw/zinc/30/84/37/363308437.db2.gz XMKWFSHUIXJTKT-BARDWOONSA-N 2 3 251.418 1.306 10 0 CDAEHP CC[NH+]1CCC(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CC1 ZINC000422778776 285185157 /nfs/dbraw/zinc/18/51/57/285185157.db2.gz DZJNOHOFTZSNJH-NUEKZKHPSA-N 2 3 283.460 1.450 10 0 CDAEHP CCO[C@H](CN)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062739951 520518211 /nfs/dbraw/zinc/51/82/11/520518211.db2.gz GJDQZBHCUXLNCH-OAHLLOKOSA-N 2 3 269.433 1.158 10 0 CDAEHP C(C[NH2+]C1CC1)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000923363114 618323723 /nfs/dbraw/zinc/32/37/23/618323723.db2.gz UILYMBLEQHYQLC-KGLIPLIRSA-N 2 3 251.418 1.450 10 0 CDAEHP [NH3+]C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000872149477 839663501 /nfs/dbraw/zinc/66/35/01/839663501.db2.gz OVFZWEIVSRCJRZ-HBNTYKKESA-N 2 3 265.323 1.055 10 0 CDAEHP [NH3+]CCCCCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000846220403 839671481 /nfs/dbraw/zinc/67/14/81/839671481.db2.gz ODFWCDJKTZGGKA-LSDHHAIUSA-N 2 3 253.434 1.970 10 0 CDAEHP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000572423910 359377340 /nfs/dbraw/zinc/37/73/40/359377340.db2.gz RFQOVEYDGVEWGQ-LSDHHAIUSA-N 2 3 253.434 1.968 10 0 CDAEHP COCC[NH2+]C1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000570848336 294322445 /nfs/dbraw/zinc/32/24/45/294322445.db2.gz IALYUYWVYIIQOQ-UONOGXRCSA-N 2 3 269.433 1.075 10 0 CDAEHP NCCC[N@H+](CC1CCCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903451960 626000938 /nfs/dbraw/zinc/00/09/38/626000938.db2.gz GGRDAUQYGQOYAV-CABCVRRESA-N 2 3 253.434 1.955 10 0 CDAEHP NCCC[N@@H+](CC1CCCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903451960 626000940 /nfs/dbraw/zinc/00/09/40/626000940.db2.gz GGRDAUQYGQOYAV-CABCVRRESA-N 2 3 253.434 1.955 10 0 CDAEHP [NH3+]CCCCCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000846220301 847358342 /nfs/dbraw/zinc/35/83/42/847358342.db2.gz ODFWCDJKTZGGKA-GJZGRUSLSA-N 2 3 253.434 1.970 10 0 CDAEHP C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000647903035 391199651 /nfs/dbraw/zinc/19/96/51/391199651.db2.gz FEWDQXMJRGNBSS-JYJNAYRXSA-N 2 3 265.445 1.840 10 0 CDAEHP C(CC1CC[NH2+]CC1)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000647987673 391637973 /nfs/dbraw/zinc/63/79/73/391637973.db2.gz PNPKKROLKUNBHT-MRXNPFEDSA-N 2 3 265.445 1.842 10 0 CDAEHP C(C[C@H]1CC[NH2+]C1)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925694710 617715557 /nfs/dbraw/zinc/71/55/57/617715557.db2.gz SCYOBCVHGURIRP-KBMXLJTQSA-N 2 3 265.445 1.744 10 0 CDAEHP C[C@@H](CCCC[NH3+])N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925799323 617730330 /nfs/dbraw/zinc/73/03/30/617730330.db2.gz SNVGLIDMFSQXHN-KBPBESRZSA-N 2 3 269.433 1.252 10 0 CDAEHP CC1(C)[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)[C@@H]2CCCN[C@@H]21 ZINC000925713745 617819882 /nfs/dbraw/zinc/81/98/82/617819882.db2.gz YQQVJFOLOPVETH-YIYPIFLZSA-N 2 3 263.429 1.495 10 0 CDAEHP CC1(C)[C@H](N[C@@H]2CC23CC[NH2+]CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925713745 617819887 /nfs/dbraw/zinc/81/98/87/617819887.db2.gz YQQVJFOLOPVETH-YIYPIFLZSA-N 2 3 263.429 1.495 10 0 CDAEHP C[C@]12C[NH2+]C[C@@]1(C)CN(CCCCCCC[NH3+])C2 ZINC000863563427 705217238 /nfs/dbraw/zinc/21/72/38/705217238.db2.gz QBKJJNOTUONTQD-GASCZTMLSA-N 2 3 253.434 1.827 10 0 CDAEHP COCCNC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923386648 848065693 /nfs/dbraw/zinc/06/56/93/848065693.db2.gz CVEFZDKITNVVAV-ZXFUBFMLSA-N 2 3 295.471 1.608 10 0 CDAEHP C[NH+](C)CCOCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925648375 849658434 /nfs/dbraw/zinc/65/84/34/849658434.db2.gz ASAIJWICIJFYEO-HZPDHXFCSA-N 2 3 283.460 1.323 10 0 CDAEHP C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH2+][C@@H]1CCNC12CCC2 ZINC000923398658 850401491 /nfs/dbraw/zinc/40/14/91/850401491.db2.gz LBVWUXCRMOCQJT-JALIKCBVSA-N 2 3 263.429 1.781 10 0 CDAEHP C[NH+](C)CCC[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000662326818 412896561 /nfs/dbraw/zinc/89/65/61/412896561.db2.gz CUWGCMJGBSOIRN-HOTGVXAUSA-N 2 3 283.460 1.419 10 0 CDAEHP C[C@H](CCC[NH3+])[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925713923 617818681 /nfs/dbraw/zinc/81/86/81/617818681.db2.gz ZIPYQNSHZZOKFA-SNPRPXQTSA-N 2 3 253.434 1.872 10 0 CDAEHP [NH3+]C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000872152387 711836050 /nfs/dbraw/zinc/83/60/50/711836050.db2.gz QOWARTVFSPZFQF-IJLUTSLNSA-N 2 3 279.350 1.445 10 0 CDAEHP C[NH+](C)CCC[C@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000662327417 412896210 /nfs/dbraw/zinc/89/62/10/412896210.db2.gz OLQOFUCMDWDZRW-GJZGRUSLSA-N 2 3 269.433 1.029 10 0 CDAEHP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCN(C3CC3)C2)C1 ZINC000925536205 932900572 /nfs/dbraw/zinc/90/05/72/932900572.db2.gz CJMCGKHXSSGUSS-MGPQQGTHSA-N 2 3 265.445 1.966 10 0 CDAEHP CC1([NH+]2CCC2)CCC(N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925860649 932946638 /nfs/dbraw/zinc/94/66/38/932946638.db2.gz IZHWUWAKRVDHFK-GAUCYTDHSA-N 2 3 289.467 1.979 10 0 CDAEHP C[C@H](C[C@H]1CCCCC[NH2+]1)NCCOCCC[NH3+] ZINC000629541142 362965457 /nfs/dbraw/zinc/96/54/57/362965457.db2.gz WPOJXLIGIXUIHD-ZIAGYGMSSA-N 2 3 257.422 1.252 10 0 CDAEHP C[NH+](C)CCC[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000662326819 412897344 /nfs/dbraw/zinc/89/73/44/412897344.db2.gz CUWGCMJGBSOIRN-HZPDHXFCSA-N 2 3 283.460 1.419 10 0 CDAEHP CCN1CC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000037644292 134847329 /nfs/dbraw/zinc/84/73/29/134847329.db2.gz XHXDOAKURZEZPL-HNNXBMFYSA-N 2 3 288.439 1.982 10 0 CDAEHP C[C@@H](O)C[NH+]1CCC(CN(C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262115611 149020764 /nfs/dbraw/zinc/02/07/64/149020764.db2.gz WVIJWHONRATTNQ-ZBFHGGJFSA-N 2 3 283.460 1.011 10 0 CDAEHP C[NH2+]Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C)C2)cc1 ZINC000071191868 176072669 /nfs/dbraw/zinc/07/26/69/176072669.db2.gz QULAOHDDSAMGIX-MRXNPFEDSA-N 2 3 261.413 1.790 10 0 CDAEHP C[NH2+]Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)cc1 ZINC000071191868 176072670 /nfs/dbraw/zinc/07/26/70/176072670.db2.gz QULAOHDDSAMGIX-MRXNPFEDSA-N 2 3 261.413 1.790 10 0 CDAEHP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc2c1CC[NH2+]C2 ZINC000662264285 423810982 /nfs/dbraw/zinc/81/09/82/423810982.db2.gz HVBXRETTWXYJCI-OLZOCXBDSA-N 2 3 259.397 1.501 10 0 CDAEHP C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000903460870 625996036 /nfs/dbraw/zinc/99/60/36/625996036.db2.gz KNCBYTQPNCZDIY-CWVYHPPDSA-N 2 3 281.444 1.203 10 0 CDAEHP CC1(C)[C@H]([NH2+]CCC2(C[NH3+])CC2)[C@@H]2CCCN[C@@H]21 ZINC000925701472 932928671 /nfs/dbraw/zinc/92/86/71/932928671.db2.gz AEDUAQWJKWVDKF-FRRDWIJNSA-N 2 3 251.418 1.482 10 0 CDAEHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+](C)CC(C)C ZINC000849047074 969434551 /nfs/dbraw/zinc/43/45/51/969434551.db2.gz PCASYVSCRMSHGU-OAHLLOKOSA-N 2 3 297.491 1.563 10 0 CDAEHP CCN1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+](C)CC(C)C ZINC000849047074 969434556 /nfs/dbraw/zinc/43/45/56/969434556.db2.gz PCASYVSCRMSHGU-OAHLLOKOSA-N 2 3 297.491 1.563 10 0 CDAEHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000925704282 617775032 /nfs/dbraw/zinc/77/50/32/617775032.db2.gz FPZBPQPZTGXDIE-AJNGGQMLSA-N 2 3 265.445 1.885 10 0 CDAEHP C([NH2+][C@@H]1CCNC12CCC2)C1CC[NH+](CC2CC2)CC1 ZINC000925716533 617835674 /nfs/dbraw/zinc/83/56/74/617835674.db2.gz OOZFSVSEVUEDQS-MRXNPFEDSA-N 2 3 277.456 1.983 10 0 CDAEHP