smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648090 416333780 /nfs/dbraw/zinc/33/37/80/416333780.db2.gz JHRALWATGUCYNM-RDJZCZTQSA-N 2 2 314.433 0.973 10 30 DCEELP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648090 416333781 /nfs/dbraw/zinc/33/37/81/416333781.db2.gz JHRALWATGUCYNM-RDJZCZTQSA-N 2 2 314.433 0.973 10 30 DCEELP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248648090 416333782 /nfs/dbraw/zinc/33/37/82/416333782.db2.gz JHRALWATGUCYNM-RDJZCZTQSA-N 2 2 314.433 0.973 10 30 DCEELP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248648090 416333783 /nfs/dbraw/zinc/33/37/83/416333783.db2.gz JHRALWATGUCYNM-RDJZCZTQSA-N 2 2 314.433 0.973 10 30 DCEELP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797681 335788065 /nfs/dbraw/zinc/78/80/65/335788065.db2.gz WSLPUNFPNJHGAM-CHWSQXEVSA-N 2 2 318.425 0.767 10 30 DCEELP C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000425725291 338016457 /nfs/dbraw/zinc/01/64/57/338016457.db2.gz MBBZVVOORMPIRU-HOCLYGCPSA-N 2 2 324.469 0.903 10 30 DCEELP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173972658 526922578 /nfs/dbraw/zinc/92/25/78/526922578.db2.gz JBKJYPKTBKNMBR-DOTOQJQBSA-N 2 2 319.449 0.511 10 30 DCEELP CN(CCC#N)C(=O)CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000591664006 396969057 /nfs/dbraw/zinc/96/90/57/396969057.db2.gz GUNZFRHENJVEID-KFWWJZLASA-N 2 2 308.426 0.326 10 30 DCEELP CN(CCC#N)C(=O)CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000591664006 396969062 /nfs/dbraw/zinc/96/90/62/396969062.db2.gz GUNZFRHENJVEID-KFWWJZLASA-N 2 2 308.426 0.326 10 30 DCEELP C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000611978367 396969220 /nfs/dbraw/zinc/96/92/20/396969220.db2.gz OFTKCAIZEDCJCX-MRXNPFEDSA-N 2 2 324.469 0.600 10 30 DCEELP C[N@@H+]1CCO[C@@H]2CN(C([O-])=[NH+]C[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC000329638340 416181959 /nfs/dbraw/zinc/18/19/59/416181959.db2.gz YYSPSLOZBMJFMH-MELADBBJSA-N 2 2 319.409 0.374 10 30 DCEELP C[N@H+]1CCO[C@@H]2CN(C([O-])=[NH+]C[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC000329638340 416181962 /nfs/dbraw/zinc/18/19/62/416181962.db2.gz YYSPSLOZBMJFMH-MELADBBJSA-N 2 2 319.409 0.374 10 30 DCEELP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC[C@@H]1C[N@H+](C)CCO1)C2 ZINC000329776984 416190036 /nfs/dbraw/zinc/19/00/36/416190036.db2.gz OQJHQTPUPGIJRW-JALIKCBVSA-N 2 2 310.442 0.836 10 30 DCEELP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C2 ZINC000329776984 416190040 /nfs/dbraw/zinc/19/00/40/416190040.db2.gz OQJHQTPUPGIJRW-JALIKCBVSA-N 2 2 310.442 0.836 10 30 DCEELP C[NH+]1CCO[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329776984 416190044 /nfs/dbraw/zinc/19/00/44/416190044.db2.gz OQJHQTPUPGIJRW-JALIKCBVSA-N 2 2 310.442 0.836 10 30 DCEELP C[NH+]1CCO[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000329776984 416190048 /nfs/dbraw/zinc/19/00/48/416190048.db2.gz OQJHQTPUPGIJRW-JALIKCBVSA-N 2 2 310.442 0.836 10 30 DCEELP C[N@@H+]1CCO[C@@H]2CN(C([O-])=[NH+]C[C@@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC000329916600 336095057 /nfs/dbraw/zinc/09/50/57/336095057.db2.gz YYSPSLOZBMJFMH-BFHYXJOUSA-N 2 2 319.409 0.374 10 30 DCEELP C[N@H+]1CCO[C@@H]2CN(C([O-])=[NH+]C[C@@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC000329916600 336095059 /nfs/dbraw/zinc/09/50/59/336095059.db2.gz YYSPSLOZBMJFMH-BFHYXJOUSA-N 2 2 319.409 0.374 10 30 DCEELP CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262778839 528809016 /nfs/dbraw/zinc/80/90/16/528809016.db2.gz KFACOAFVBWGFFM-XHSDSOJGSA-N 2 2 324.469 0.519 10 30 DCEELP C#CCNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863391 415634900 /nfs/dbraw/zinc/63/49/00/415634900.db2.gz MZHOSBGJWXWKLJ-OAHLLOKOSA-N 2 2 317.437 0.417 10 30 DCEELP C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262794131 526370401 /nfs/dbraw/zinc/37/04/01/526370401.db2.gz PCUNNVRVDSNIKL-ZNMIVQPWSA-N 2 2 310.442 0.129 10 30 DCEELP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CC1 ZINC000173972638 526923415 /nfs/dbraw/zinc/92/34/15/526923415.db2.gz JBKJYPKTBKNMBR-RDJZCZTQSA-N 2 2 319.449 0.511 10 30 DCEELP C#C[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000186028293 527220972 /nfs/dbraw/zinc/22/09/72/527220972.db2.gz DJFWTCWCMHJHTR-JZWPEALZSA-N 2 2 304.438 0.961 10 30 DCEELP C#C[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000186028293 527220976 /nfs/dbraw/zinc/22/09/76/527220976.db2.gz DJFWTCWCMHJHTR-JZWPEALZSA-N 2 2 304.438 0.961 10 30 DCEELP CC[NH+]=C(NCC1(O)CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000153338909 528803311 /nfs/dbraw/zinc/80/33/11/528803311.db2.gz VWLXQZCVUPTELB-HNNXBMFYSA-N 2 2 324.469 0.664 10 30 DCEELP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797676 335788114 /nfs/dbraw/zinc/78/81/14/335788114.db2.gz WSLPUNFPNJHGAM-OLZOCXBDSA-N 2 2 318.425 0.767 10 30 DCEELP C[NH+]=C(NCC(=O)N(C)C)NC1CCN(c2cccc[nH+]2)CC1 ZINC000262308432 526345758 /nfs/dbraw/zinc/34/57/58/526345758.db2.gz PHKUODRVUPFGEG-UHFFFAOYSA-N 2 2 318.425 0.304 10 30 DCEELP C[NH+]=C(N[C@H]1CC1(C)C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261948799 526395764 /nfs/dbraw/zinc/39/57/64/526395764.db2.gz GRNHELHRBSRAGZ-ZDUSSCGKSA-N 2 2 309.458 0.456 10 30 DCEELP CC[N@H+](C)CCNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261956608 527792731 /nfs/dbraw/zinc/79/27/31/527792731.db2.gz IXGHJXZHKCLENT-UHFFFAOYSA-N 2 2 304.460 0.023 10 30 DCEELP CC[N@@H+](C)CCNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261956608 527792736 /nfs/dbraw/zinc/79/27/36/527792736.db2.gz IXGHJXZHKCLENT-UHFFFAOYSA-N 2 2 304.460 0.023 10 30 DCEELP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262480835 528809721 /nfs/dbraw/zinc/80/97/21/528809721.db2.gz RMUODRQTEXIXQW-HOTGVXAUSA-N 3 2 323.485 0.453 10 30 DCEELP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262480835 528809726 /nfs/dbraw/zinc/80/97/26/528809726.db2.gz RMUODRQTEXIXQW-HOTGVXAUSA-N 3 2 323.485 0.453 10 30 DCEELP C=C[C@H](C(=O)OC)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000619719880 397184561 /nfs/dbraw/zinc/18/45/61/397184561.db2.gz JWLAGKGLQVLSAA-VFSICIBPSA-N 2 2 307.438 0.957 10 30 DCEELP C=C[C@H](C(=O)OC)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000619719880 397184565 /nfs/dbraw/zinc/18/45/65/397184565.db2.gz JWLAGKGLQVLSAA-VFSICIBPSA-N 2 2 307.438 0.957 10 30 DCEELP CC[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262493647 275802661 /nfs/dbraw/zinc/80/26/61/275802661.db2.gz VRPSCMWXIOYQEL-CABCVRRESA-N 2 2 310.442 0.537 10 30 DCEELP CC[NH+]=C(NCc1c[nH]nc1C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262475684 276095999 /nfs/dbraw/zinc/09/59/99/276095999.db2.gz QBOJPRZTNFTEOJ-HNNXBMFYSA-N 2 2 320.441 0.590 10 30 DCEELP C=CCNC(=O)CN1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000584180483 331857367 /nfs/dbraw/zinc/85/73/67/331857367.db2.gz PJLFDYYLJOYHBB-UHFFFAOYSA-N 2 2 305.426 0.273 10 30 DCEELP C[NH+]=C(NCCn1cc[nH+]c1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261703246 526367313 /nfs/dbraw/zinc/36/73/13/526367313.db2.gz GKCFFLBAFULZGS-HNNXBMFYSA-N 2 2 304.398 0.061 10 30 DCEELP COc1cc2c(cc1OC)C[N@H+](CCNC1=[NH+]C[C@H](C)N1)CC2 ZINC000262200854 533170383 /nfs/dbraw/zinc/17/03/83/533170383.db2.gz ASGRNAAVTCECQM-LBPRGKRZSA-N 2 2 318.421 0.999 10 30 DCEELP COc1cc2c(cc1OC)C[N@@H+](CCNC1=[NH+]C[C@H](C)N1)CC2 ZINC000262200854 533170393 /nfs/dbraw/zinc/17/03/93/533170393.db2.gz ASGRNAAVTCECQM-LBPRGKRZSA-N 2 2 318.421 0.999 10 30 DCEELP C=CC[C@@]1(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)CCC[NH2+]1 ZINC000595956539 396695547 /nfs/dbraw/zinc/69/55/47/396695547.db2.gz RFSYZXCXUIQUGI-PBHICJAKSA-N 2 2 323.437 0.781 10 30 DCEELP C[N@@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262011816 277127749 /nfs/dbraw/zinc/12/77/49/277127749.db2.gz UJDCNSDKDGXFSY-CYBMUJFWSA-N 2 2 320.393 0.905 10 30 DCEELP C[N@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262011816 277127751 /nfs/dbraw/zinc/12/77/51/277127751.db2.gz UJDCNSDKDGXFSY-CYBMUJFWSA-N 2 2 320.393 0.905 10 30 DCEELP [NH2+]=C(NCc1cccnc1-n1cc[nH+]c1)NC[C@H]1CCCO1 ZINC000261915368 238168099 /nfs/dbraw/zinc/16/80/99/238168099.db2.gz ZFSTZWZQWLFTSR-CYBMUJFWSA-N 2 2 300.366 0.851 10 30 DCEELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C#N)CC2)C1 ZINC000057906232 415339087 /nfs/dbraw/zinc/33/90/87/415339087.db2.gz BPYMUUBPWUTFPO-MRXNPFEDSA-N 2 2 322.453 0.695 10 30 DCEELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C#N)CC2)C1 ZINC000057906232 415339093 /nfs/dbraw/zinc/33/90/93/415339093.db2.gz BPYMUUBPWUTFPO-MRXNPFEDSA-N 2 2 322.453 0.695 10 30 DCEELP C#CCNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863389 415633961 /nfs/dbraw/zinc/63/39/61/415633961.db2.gz MZHOSBGJWXWKLJ-HNNXBMFYSA-N 2 2 317.437 0.417 10 30 DCEELP C[NH+]=C(NC[C@@H]1CCCCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262469277 276842783 /nfs/dbraw/zinc/84/27/83/276842783.db2.gz OLAUFYQAXHXDGR-CABCVRRESA-N 2 2 310.442 0.537 10 30 DCEELP C=CCOCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371638215 526779353 /nfs/dbraw/zinc/77/93/53/526779353.db2.gz PJLMCMIZDVWCML-AWEZNQCLSA-N 2 2 310.442 0.657 10 30 DCEELP C=CCOCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371638215 526779357 /nfs/dbraw/zinc/77/93/57/526779357.db2.gz PJLMCMIZDVWCML-AWEZNQCLSA-N 2 2 310.442 0.657 10 30 DCEELP CC[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175525283 528805525 /nfs/dbraw/zinc/80/55/25/528805525.db2.gz ZCPIFRKQAVKTFX-INIZCTEOSA-N 3 2 323.485 0.454 10 30 DCEELP CC[NH+]=C(NC[C@H]1CCCS1)NC[C@@H]1C[N@H+](C)CCO1 ZINC000157350447 528814357 /nfs/dbraw/zinc/81/43/57/528814357.db2.gz JPNQERCFSDKPCU-CHWSQXEVSA-N 2 2 300.472 0.768 10 30 DCEELP CC[NH+]=C(NC[C@H]1CCCS1)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000157350447 528814365 /nfs/dbraw/zinc/81/43/65/528814365.db2.gz JPNQERCFSDKPCU-CHWSQXEVSA-N 2 2 300.472 0.768 10 30 DCEELP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000114856768 415721980 /nfs/dbraw/zinc/72/19/80/415721980.db2.gz FZYADGCHTFZDRK-INIZCTEOSA-N 2 2 305.422 0.311 10 30 DCEELP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000114856768 415721987 /nfs/dbraw/zinc/72/19/87/415721987.db2.gz FZYADGCHTFZDRK-INIZCTEOSA-N 2 2 305.422 0.311 10 30 DCEELP CC[NH+]=C(NCc1c[nH]nc1C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262475685 276096095 /nfs/dbraw/zinc/09/60/95/276096095.db2.gz QBOJPRZTNFTEOJ-OAHLLOKOSA-N 2 2 320.441 0.590 10 30 DCEELP CC[NH+]=C(NC[C@@H]1CCCO1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262493651 280840633 /nfs/dbraw/zinc/84/06/33/280840633.db2.gz VRPSCMWXIOYQEL-GJZGRUSLSA-N 2 2 310.442 0.537 10 30 DCEELP C[N@@H+]1CCO[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC000328871835 290078981 /nfs/dbraw/zinc/07/89/81/290078981.db2.gz INFRJCBCYQCCQV-HZSPNIEDSA-N 2 2 319.409 0.517 10 30 DCEELP C[N@H+]1CCO[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC000328871835 290078985 /nfs/dbraw/zinc/07/89/85/290078985.db2.gz INFRJCBCYQCCQV-HZSPNIEDSA-N 2 2 319.409 0.517 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC[C@@](C)(O)c1ccc(C)o1 ZINC000262490240 526373816 /nfs/dbraw/zinc/37/38/16/526373816.db2.gz ZHAMGPWZZUJGQJ-CZUORRHYSA-N 2 2 324.425 0.291 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC[C@@](C)(O)c1ccc(C)o1 ZINC000262490240 526373822 /nfs/dbraw/zinc/37/38/22/526373822.db2.gz ZHAMGPWZZUJGQJ-CZUORRHYSA-N 2 2 324.425 0.291 10 30 DCEELP CC[NH+]=C(NCC[NH+]1CCC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261710328 661524208 /nfs/dbraw/zinc/52/42/08/661524208.db2.gz HDCBXRNGNFGILT-OAHLLOKOSA-N 2 2 320.441 0.465 10 30 DCEELP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328601021 283023407 /nfs/dbraw/zinc/02/34/07/283023407.db2.gz DTWIJDMPIDCUNB-CHWSQXEVSA-N 2 2 307.398 0.595 10 30 DCEELP C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000328601021 283023408 /nfs/dbraw/zinc/02/34/08/283023408.db2.gz DTWIJDMPIDCUNB-CHWSQXEVSA-N 2 2 307.398 0.595 10 30 DCEELP C=CC[C@]1(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)CCC[NH2+]1 ZINC000595956051 396695454 /nfs/dbraw/zinc/69/54/54/396695454.db2.gz JBRQQKJORCPYTG-WMLDXEAASA-N 2 2 323.437 0.781 10 30 DCEELP C=CC[C@]1(C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)CCC[NH2+]1 ZINC000595956051 396695457 /nfs/dbraw/zinc/69/54/57/396695457.db2.gz JBRQQKJORCPYTG-WMLDXEAASA-N 2 2 323.437 0.781 10 30 DCEELP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797678 415631330 /nfs/dbraw/zinc/63/13/30/415631330.db2.gz WSLPUNFPNJHGAM-QWHCGFSZSA-N 2 2 318.425 0.767 10 30 DCEELP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261994647 277752131 /nfs/dbraw/zinc/75/21/31/277752131.db2.gz SCCKNGWDIFPOHX-NSHDSACASA-N 2 2 304.460 0.021 10 30 DCEELP C[NH+]=C(NCCn1cc[nH+]c1)N1CCN(Cc2ccon2)CC1 ZINC000261778277 526367601 /nfs/dbraw/zinc/36/76/01/526367601.db2.gz OYFBYTOQPQODCP-UHFFFAOYSA-N 2 2 317.397 0.264 10 30 DCEELP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261977405 528813230 /nfs/dbraw/zinc/81/32/30/528813230.db2.gz NZUYWKSUYXCKNE-LBPRGKRZSA-N 2 2 318.487 0.411 10 30 DCEELP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000581661951 396572737 /nfs/dbraw/zinc/57/27/37/396572737.db2.gz LCMVRRMYVKYKNB-QGZVFWFLSA-N 3 2 310.486 0.225 10 30 DCEELP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592183207 397114394 /nfs/dbraw/zinc/11/43/94/397114394.db2.gz SMIUJOKHNSMCLD-CYBMUJFWSA-N 2 2 324.425 0.183 10 30 DCEELP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592183207 397114397 /nfs/dbraw/zinc/11/43/97/397114397.db2.gz SMIUJOKHNSMCLD-CYBMUJFWSA-N 2 2 324.425 0.183 10 30 DCEELP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000114856767 415720138 /nfs/dbraw/zinc/72/01/38/415720138.db2.gz FZYADGCHTFZDRK-MRXNPFEDSA-N 2 2 305.422 0.311 10 30 DCEELP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000114856767 415720147 /nfs/dbraw/zinc/72/01/47/415720147.db2.gz FZYADGCHTFZDRK-MRXNPFEDSA-N 2 2 305.422 0.311 10 30 DCEELP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CCC)[NH+](C)C)CC1 ZINC000162021120 416013949 /nfs/dbraw/zinc/01/39/49/416013949.db2.gz STFFEZSEJPWNLA-OAHLLOKOSA-N 2 2 322.453 0.000 10 30 DCEELP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CCC)[NH+](C)C)CC1 ZINC000162021120 416013950 /nfs/dbraw/zinc/01/39/50/416013950.db2.gz STFFEZSEJPWNLA-OAHLLOKOSA-N 2 2 322.453 0.000 10 30 DCEELP C[NH+]=C(NCC[NH+]1CCC1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261661130 526356983 /nfs/dbraw/zinc/35/69/83/526356983.db2.gz ARORIBSIHQBOHG-AWEZNQCLSA-N 2 2 303.410 0.816 10 30 DCEELP C[NH+]=C(NCc1ccccn1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262429986 526385437 /nfs/dbraw/zinc/38/54/37/526385437.db2.gz DVRGGVJCYYLOAD-HNNXBMFYSA-N 2 2 303.410 0.564 10 30 DCEELP C[NH+]=C(NCc1nccs1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175520408 526390840 /nfs/dbraw/zinc/39/08/40/526390840.db2.gz MYIOVTMCVPBXCO-GFCCVEGCSA-N 2 2 309.439 0.625 10 30 DCEELP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374211115 526600459 /nfs/dbraw/zinc/60/04/59/526600459.db2.gz JATZWZLODLKOOK-LLVKDONJSA-N 2 2 305.382 0.989 10 30 DCEELP C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364945226 527201470 /nfs/dbraw/zinc/20/14/70/527201470.db2.gz PVYCGXBXIOWETM-UONOGXRCSA-N 2 2 310.442 0.391 10 30 DCEELP C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364945226 527201475 /nfs/dbraw/zinc/20/14/75/527201475.db2.gz PVYCGXBXIOWETM-UONOGXRCSA-N 2 2 310.442 0.391 10 30 DCEELP C=C[C@@H](C(=O)OC)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000619719879 397183839 /nfs/dbraw/zinc/18/38/39/397183839.db2.gz JWLAGKGLQVLSAA-QXULXFAOSA-N 2 2 307.438 0.957 10 30 DCEELP C=C[C@@H](C(=O)OC)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000619719879 397183847 /nfs/dbraw/zinc/18/38/47/397183847.db2.gz JWLAGKGLQVLSAA-QXULXFAOSA-N 2 2 307.438 0.957 10 30 DCEELP C=CCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109755844 415681958 /nfs/dbraw/zinc/68/19/58/415681958.db2.gz NAKDMQPABVFHOQ-HOTGVXAUSA-N 2 2 308.470 0.779 10 30 DCEELP C=CCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109755844 415681966 /nfs/dbraw/zinc/68/19/66/415681966.db2.gz NAKDMQPABVFHOQ-HOTGVXAUSA-N 2 2 308.470 0.779 10 30 DCEELP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515625 416326687 /nfs/dbraw/zinc/32/66/87/416326687.db2.gz XHLFNRLGKNJEOE-CYBMUJFWSA-N 2 2 317.393 0.827 10 30 DCEELP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515625 416326688 /nfs/dbraw/zinc/32/66/88/416326688.db2.gz XHLFNRLGKNJEOE-CYBMUJFWSA-N 2 2 317.393 0.827 10 30 DCEELP C[NH+]=C(NCc1cc(C)no1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175526861 526380670 /nfs/dbraw/zinc/38/06/70/526380670.db2.gz JVLDGKPXKMQODZ-CYBMUJFWSA-N 2 2 307.398 0.465 10 30 DCEELP C=CCNC(=O)C[N@@H+](C)[C@H]1CCC[NH+](CC(=O)NCC=C)CC1 ZINC000156971165 526526310 /nfs/dbraw/zinc/52/63/10/526526310.db2.gz SJUYYXLLAFVOOB-HNNXBMFYSA-N 2 2 322.453 0.377 10 30 DCEELP C=CCNC(=O)C[N@H+](C)[C@H]1CCC[NH+](CC(=O)NCC=C)CC1 ZINC000156971165 526526311 /nfs/dbraw/zinc/52/63/11/526526311.db2.gz SJUYYXLLAFVOOB-HNNXBMFYSA-N 2 2 322.453 0.377 10 30 DCEELP C=CCNC(=O)C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NCC=C)CC1 ZINC000156971165 526526312 /nfs/dbraw/zinc/52/63/12/526526312.db2.gz SJUYYXLLAFVOOB-HNNXBMFYSA-N 2 2 322.453 0.377 10 30 DCEELP C=CCNC(=O)C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NCC=C)CC1 ZINC000156971165 526526313 /nfs/dbraw/zinc/52/63/13/526526313.db2.gz SJUYYXLLAFVOOB-HNNXBMFYSA-N 2 2 322.453 0.377 10 30 DCEELP C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361517358 526634374 /nfs/dbraw/zinc/63/43/74/526634374.db2.gz CGDUYPNMTAXCOB-ZDUSSCGKSA-N 2 2 304.394 0.903 10 30 DCEELP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261737937 528808375 /nfs/dbraw/zinc/80/83/75/528808375.db2.gz KGWAEGHNWXSCQF-MRXNPFEDSA-N 2 2 318.425 0.451 10 30 DCEELP C=CCN1CC[C@H]([NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000337197432 415926142 /nfs/dbraw/zinc/92/61/42/415926142.db2.gz XEHKGVUMXQYDBV-IRXDYDNUSA-N 2 2 320.481 0.875 10 30 DCEELP C=CCN1CC[C@H]([NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000337197432 415926148 /nfs/dbraw/zinc/92/61/48/415926148.db2.gz XEHKGVUMXQYDBV-IRXDYDNUSA-N 2 2 320.481 0.875 10 30 DCEELP C=CCNC(=O)CN1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000163322963 416015512 /nfs/dbraw/zinc/01/55/12/416015512.db2.gz AAOBQTUUWZMJAQ-UHFFFAOYSA-N 2 2 319.453 0.892 10 30 DCEELP CC[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@H](N2CCOCC2)C1 ZINC000262449133 275802420 /nfs/dbraw/zinc/80/24/20/275802420.db2.gz JLKTWZDTSZZOKY-HNNXBMFYSA-N 2 2 320.441 0.255 10 30 DCEELP N#Cc1cccc(S(=O)(=O)CC[NH2+]CCn2cc[nH+]c2)c1 ZINC000163076361 396086207 /nfs/dbraw/zinc/08/62/07/396086207.db2.gz KESQKCSAFBSBBE-UHFFFAOYSA-N 2 2 304.375 0.818 10 30 DCEELP C[N@@H+]1CCO[C@@H]2CN(C([O-])=[NH+]C[C@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC000329638339 416181551 /nfs/dbraw/zinc/18/15/51/416181551.db2.gz YYSPSLOZBMJFMH-HZSPNIEDSA-N 2 2 319.409 0.374 10 30 DCEELP C[N@H+]1CCO[C@@H]2CN(C([O-])=[NH+]C[C@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC000329638339 416181555 /nfs/dbraw/zinc/18/15/55/416181555.db2.gz YYSPSLOZBMJFMH-HZSPNIEDSA-N 2 2 319.409 0.374 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCS[C@H](C(C)C)C1 ZINC000153761915 526373138 /nfs/dbraw/zinc/37/31/38/526373138.db2.gz YBLVBJNZJDDVAZ-KGLIPLIRSA-N 2 2 314.499 0.966 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCS[C@H](C(C)C)C1 ZINC000153761915 526373142 /nfs/dbraw/zinc/37/31/42/526373142.db2.gz YBLVBJNZJDDVAZ-KGLIPLIRSA-N 2 2 314.499 0.966 10 30 DCEELP C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361517357 526624075 /nfs/dbraw/zinc/62/40/75/526624075.db2.gz CGDUYPNMTAXCOB-CYBMUJFWSA-N 2 2 304.394 0.903 10 30 DCEELP CC[NH+]=C(NCC1(O)CCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262784038 528804139 /nfs/dbraw/zinc/80/41/39/528804139.db2.gz LVXRGUHBTNEXEU-AWEZNQCLSA-N 2 2 310.442 0.273 10 30 DCEELP C=C[C@@H](C(=O)OC)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000619719505 397184698 /nfs/dbraw/zinc/18/46/98/397184698.db2.gz FHSKTWTTYJXEPJ-HNNXBMFYSA-N 2 2 323.437 0.590 10 30 DCEELP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000424296036 416637281 /nfs/dbraw/zinc/63/72/81/416637281.db2.gz NZRCMZDWCHSLMO-WMZOPIPTSA-N 2 2 323.481 0.964 10 30 DCEELP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000424296036 416637285 /nfs/dbraw/zinc/63/72/85/416637285.db2.gz NZRCMZDWCHSLMO-WMZOPIPTSA-N 2 2 323.481 0.964 10 30 DCEELP C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262427536 526376419 /nfs/dbraw/zinc/37/64/19/526376419.db2.gz DDTJIDZFQXYDSV-JKSUJKDBSA-N 3 2 323.485 0.309 10 30 DCEELP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCC[NH+](CC(=O)NCC=C)CC1 ZINC000156971015 526525665 /nfs/dbraw/zinc/52/56/65/526525665.db2.gz SJUYYXLLAFVOOB-OAHLLOKOSA-N 2 2 322.453 0.377 10 30 DCEELP C=CCNC(=O)C[N@H+](C)[C@@H]1CCC[NH+](CC(=O)NCC=C)CC1 ZINC000156971015 526525669 /nfs/dbraw/zinc/52/56/69/526525669.db2.gz SJUYYXLLAFVOOB-OAHLLOKOSA-N 2 2 322.453 0.377 10 30 DCEELP C=CCNC(=O)C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NCC=C)CC1 ZINC000156971015 526525672 /nfs/dbraw/zinc/52/56/72/526525672.db2.gz SJUYYXLLAFVOOB-OAHLLOKOSA-N 2 2 322.453 0.377 10 30 DCEELP C=CCNC(=O)C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NCC=C)CC1 ZINC000156971015 526525676 /nfs/dbraw/zinc/52/56/76/526525676.db2.gz SJUYYXLLAFVOOB-OAHLLOKOSA-N 2 2 322.453 0.377 10 30 DCEELP C=CCOCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364283444 526774478 /nfs/dbraw/zinc/77/44/78/526774478.db2.gz ZKANLLDFFGUHHC-MRXNPFEDSA-N 2 2 324.469 0.999 10 30 DCEELP C=CCOCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364283444 526774482 /nfs/dbraw/zinc/77/44/82/526774482.db2.gz ZKANLLDFFGUHHC-MRXNPFEDSA-N 2 2 324.469 0.999 10 30 DCEELP C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329726702 546054127 /nfs/dbraw/zinc/05/41/27/546054127.db2.gz GQPZZTUAWNURNF-ZIAGYGMSSA-N 2 2 307.398 0.592 10 30 DCEELP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262565262 662483407 /nfs/dbraw/zinc/48/34/07/662483407.db2.gz XSDOTIMRFMQLAF-JSGCOSHPSA-N 2 2 304.394 0.745 10 30 DCEELP C[N@H+]1CCO[C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262565262 662483409 /nfs/dbraw/zinc/48/34/09/662483409.db2.gz XSDOTIMRFMQLAF-JSGCOSHPSA-N 2 2 304.394 0.745 10 30 DCEELP C=CC[C@]1(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)CCC[NH2+]1 ZINC000595956541 396695243 /nfs/dbraw/zinc/69/52/43/396695243.db2.gz RFSYZXCXUIQUGI-WMLDXEAASA-N 2 2 323.437 0.781 10 30 DCEELP C=CCN1CC[C@@H]([NH+]2CCN(c3cc[nH+]cc3OC)CC2)C1=O ZINC000337235903 415934226 /nfs/dbraw/zinc/93/42/26/415934226.db2.gz LLBIYOQBVROGRH-OAHLLOKOSA-N 2 2 316.405 0.999 10 30 DCEELP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000245628971 526369981 /nfs/dbraw/zinc/36/99/81/526369981.db2.gz CXKPOTIJIROOLS-CVEARBPZSA-N 3 2 323.485 0.310 10 30 DCEELP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000245628971 526369984 /nfs/dbraw/zinc/36/99/84/526369984.db2.gz CXKPOTIJIROOLS-CVEARBPZSA-N 3 2 323.485 0.310 10 30 DCEELP C[NH+]=C(NCc1c(C)noc1C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175527898 526379796 /nfs/dbraw/zinc/37/97/96/526379796.db2.gz SNKBJGNIVSYCAW-AWEZNQCLSA-N 2 2 321.425 0.773 10 30 DCEELP C=CCNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109755849 415681986 /nfs/dbraw/zinc/68/19/86/415681986.db2.gz NAKDMQPABVFHOQ-JKSUJKDBSA-N 2 2 308.470 0.779 10 30 DCEELP C=CCNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109755849 415681995 /nfs/dbraw/zinc/68/19/95/415681995.db2.gz NAKDMQPABVFHOQ-JKSUJKDBSA-N 2 2 308.470 0.779 10 30 DCEELP CC[NH+]=C(NCC[NH+]1CCC1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261703240 278166838 /nfs/dbraw/zinc/16/68/38/278166838.db2.gz GJZYGQOBFPQRKM-INIZCTEOSA-N 2 2 307.442 0.260 10 30 DCEELP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175524012 278168028 /nfs/dbraw/zinc/16/80/28/278168028.db2.gz MSFZWYZKEHJWAB-HOTGVXAUSA-N 3 2 323.485 0.310 10 30 DCEELP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175524012 278168029 /nfs/dbraw/zinc/16/80/29/278168029.db2.gz MSFZWYZKEHJWAB-HOTGVXAUSA-N 3 2 323.485 0.310 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCC(OCC2CC2)CC1 ZINC000261825769 526373751 /nfs/dbraw/zinc/37/37/51/526373751.db2.gz UZGNNDKZVZOGJQ-MRXNPFEDSA-N 2 2 324.469 0.783 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCC(OCC2CC2)CC1 ZINC000261825769 526373755 /nfs/dbraw/zinc/37/37/55/526373755.db2.gz UZGNNDKZVZOGJQ-MRXNPFEDSA-N 2 2 324.469 0.783 10 30 DCEELP C[NH+]=C(NCC[NH+]1CCC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261840560 661744724 /nfs/dbraw/zinc/74/47/24/661744724.db2.gz WNHAAEBDCQTVMW-CQSZACIVSA-N 2 2 306.414 0.075 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262421775 662377688 /nfs/dbraw/zinc/37/76/88/662377688.db2.gz BGBSXFMGFGVZKO-HZPDHXFCSA-N 3 2 323.485 0.453 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262421775 662377692 /nfs/dbraw/zinc/37/76/92/662377692.db2.gz BGBSXFMGFGVZKO-HZPDHXFCSA-N 3 2 323.485 0.453 10 30 DCEELP COc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1C#N ZINC000262469907 396143836 /nfs/dbraw/zinc/14/38/36/396143836.db2.gz JEZBDQZSERISJF-UHFFFAOYSA-N 2 2 302.378 0.430 10 30 DCEELP COc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1C#N ZINC000262469907 396143837 /nfs/dbraw/zinc/14/38/37/396143837.db2.gz JEZBDQZSERISJF-UHFFFAOYSA-N 2 2 302.378 0.430 10 30 DCEELP C=CCN1CC[C@@H]([NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000337197431 415927069 /nfs/dbraw/zinc/92/70/69/415927069.db2.gz XEHKGVUMXQYDBV-IAGOWNOFSA-N 2 2 320.481 0.875 10 30 DCEELP C=CCN1CC[C@@H]([NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000337197431 415927071 /nfs/dbraw/zinc/92/70/71/415927071.db2.gz XEHKGVUMXQYDBV-IAGOWNOFSA-N 2 2 320.481 0.875 10 30 DCEELP C=CCNC(=O)C[NH+]1CCN(Cc2cc(OC)cc(C)[nH+]2)CC1 ZINC000339828514 416167001 /nfs/dbraw/zinc/16/70/01/416167001.db2.gz BLVBSFCSBIWNOP-UHFFFAOYSA-N 2 2 318.421 0.818 10 30 DCEELP C[NH+]=C(NCc1ncccc1C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000134181816 275409173 /nfs/dbraw/zinc/40/91/73/275409173.db2.gz MESWRUKOTRTXHE-OAHLLOKOSA-N 2 2 317.437 0.872 10 30 DCEELP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262431013 526354845 /nfs/dbraw/zinc/35/48/45/526354845.db2.gz DZOFMXBHLITSEE-OAHLLOKOSA-N 3 2 309.458 0.063 10 30 DCEELP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262431013 526354847 /nfs/dbraw/zinc/35/48/47/526354847.db2.gz DZOFMXBHLITSEE-OAHLLOKOSA-N 3 2 309.458 0.063 10 30 DCEELP C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261948797 526394819 /nfs/dbraw/zinc/39/48/19/526394819.db2.gz GRNHELHRBSRAGZ-CYBMUJFWSA-N 2 2 309.458 0.456 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261658232 528811284 /nfs/dbraw/zinc/81/12/84/528811284.db2.gz FTKPUMOGXLDVAD-MGPQQGTHSA-N 2 2 312.458 0.686 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261658232 528811289 /nfs/dbraw/zinc/81/12/89/528811289.db2.gz FTKPUMOGXLDVAD-MGPQQGTHSA-N 2 2 312.458 0.686 10 30 DCEELP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262011820 277119379 /nfs/dbraw/zinc/11/93/79/277119379.db2.gz UJDCNSDKDGXFSY-ZDUSSCGKSA-N 2 2 320.393 0.905 10 30 DCEELP C[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262011820 277119380 /nfs/dbraw/zinc/11/93/80/277119380.db2.gz UJDCNSDKDGXFSY-ZDUSSCGKSA-N 2 2 320.393 0.905 10 30 DCEELP C[C@H]1CN(C(=[NH2+])NCc2cccnc2-n2cc[nH+]c2)CCO1 ZINC000262506175 533788914 /nfs/dbraw/zinc/78/89/14/533788914.db2.gz ZWORGUWFMXQPLO-LBPRGKRZSA-N 2 2 300.366 0.803 10 30 DCEELP C[C@@H]1CN(C(=[NH2+])NCc2cccnc2-n2cc[nH+]c2)CCO1 ZINC000262506173 534271602 /nfs/dbraw/zinc/27/16/02/534271602.db2.gz ZWORGUWFMXQPLO-GFCCVEGCSA-N 2 2 300.366 0.803 10 30 DCEELP C[NH+]=C(NCc1ccnc(C)n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175527625 526386853 /nfs/dbraw/zinc/38/68/53/526386853.db2.gz IVFHCIYXCVKOIB-HNNXBMFYSA-N 2 2 318.425 0.267 10 30 DCEELP C[NH+]=C(NCc1scnc1C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262429419 526393209 /nfs/dbraw/zinc/39/32/09/526393209.db2.gz DMFGKPPTQFSHJC-ZDUSSCGKSA-N 2 2 323.466 0.933 10 30 DCEELP CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000152044115 528809463 /nfs/dbraw/zinc/80/94/63/528809463.db2.gz KFACOAFVBWGFFM-JYJNAYRXSA-N 2 2 324.469 0.519 10 30 DCEELP [NH2+]=C(NCc1cccnc1-n1cc[nH+]c1)NC[C@@H]1CCCO1 ZINC000261915370 238168123 /nfs/dbraw/zinc/16/81/23/238168123.db2.gz ZFSTZWZQWLFTSR-ZDUSSCGKSA-N 2 2 300.366 0.851 10 30 DCEELP C[NH+]=C(NCC1(O)CCCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262796780 276841364 /nfs/dbraw/zinc/84/13/64/276841364.db2.gz PXXIJSVWPSJBRR-OAHLLOKOSA-N 2 2 324.469 0.664 10 30 DCEELP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179084902 526369881 /nfs/dbraw/zinc/36/98/81/526369881.db2.gz CXKPOTIJIROOLS-HOTGVXAUSA-N 3 2 323.485 0.310 10 30 DCEELP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179084902 526369882 /nfs/dbraw/zinc/36/98/82/526369882.db2.gz CXKPOTIJIROOLS-HOTGVXAUSA-N 3 2 323.485 0.310 10 30 DCEELP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])N2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000262492381 238174960 /nfs/dbraw/zinc/17/49/60/238174960.db2.gz VJBUYIBZWAQUKN-MELADBBJSA-N 2 2 312.458 0.910 10 30 DCEELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])N2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000262492381 238174961 /nfs/dbraw/zinc/17/49/61/238174961.db2.gz VJBUYIBZWAQUKN-MELADBBJSA-N 2 2 312.458 0.910 10 30 DCEELP C=CCNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863279 415638047 /nfs/dbraw/zinc/63/80/47/415638047.db2.gz KFYZVENLQYSQFX-HNNXBMFYSA-N 2 2 319.453 0.970 10 30 DCEELP C#CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245420922 527025373 /nfs/dbraw/zinc/02/53/73/527025373.db2.gz HRQJXRZJMACGSS-JKSUJKDBSA-N 2 2 306.454 0.226 10 30 DCEELP C#CCNC(=O)[C@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245420922 527025377 /nfs/dbraw/zinc/02/53/77/527025377.db2.gz HRQJXRZJMACGSS-JKSUJKDBSA-N 2 2 306.454 0.226 10 30 DCEELP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329445028 546048772 /nfs/dbraw/zinc/04/87/72/546048772.db2.gz KSILZNBFVHWPDR-CQSZACIVSA-N 2 2 320.441 0.469 10 30 DCEELP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329445028 546048776 /nfs/dbraw/zinc/04/87/76/546048776.db2.gz KSILZNBFVHWPDR-CQSZACIVSA-N 2 2 320.441 0.469 10 30 DCEELP CC[C@@H]1CN(C(NC[C@H]2C[N@H+](C)CCO2)=[NH+]C)CCS1 ZINC000124046754 667891244 /nfs/dbraw/zinc/89/12/44/667891244.db2.gz IJNVAVKZDANBSB-QWHCGFSZSA-N 2 2 300.472 0.720 10 30 DCEELP CC[C@@H]1CN(C(NC[C@H]2C[N@@H+](C)CCO2)=[NH+]C)CCS1 ZINC000124046754 667891246 /nfs/dbraw/zinc/89/12/46/667891246.db2.gz IJNVAVKZDANBSB-QWHCGFSZSA-N 2 2 300.472 0.720 10 30 DCEELP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N(C)Cc1csc(C)n1 ZINC000155646234 526378131 /nfs/dbraw/zinc/37/81/31/526378131.db2.gz DWOMGETWWYAARO-ZDUSSCGKSA-N 2 2 311.455 0.789 10 30 DCEELP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N(C)Cc1csc(C)n1 ZINC000155646234 526378136 /nfs/dbraw/zinc/37/81/36/526378136.db2.gz DWOMGETWWYAARO-ZDUSSCGKSA-N 2 2 311.455 0.789 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000261837359 528811625 /nfs/dbraw/zinc/81/16/25/528811625.db2.gz WHFMDKQUVKHJHD-FVQBIDKESA-N 3 2 323.485 0.355 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000261837359 528811630 /nfs/dbraw/zinc/81/16/30/528811630.db2.gz WHFMDKQUVKHJHD-FVQBIDKESA-N 3 2 323.485 0.355 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[NH+](C)CCO1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261837359 528811635 /nfs/dbraw/zinc/81/16/35/528811635.db2.gz WHFMDKQUVKHJHD-FVQBIDKESA-N 3 2 323.485 0.355 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[NH+](C)CCO1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261837359 528811641 /nfs/dbraw/zinc/81/16/41/528811641.db2.gz WHFMDKQUVKHJHD-FVQBIDKESA-N 3 2 323.485 0.355 10 30 DCEELP C=CCNC(=O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845554 415636199 /nfs/dbraw/zinc/63/61/99/415636199.db2.gz WYJQVYRMSFHHGH-INIZCTEOSA-N 2 2 324.469 0.015 10 30 DCEELP C=CCNC(=O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845554 415636206 /nfs/dbraw/zinc/63/62/06/415636206.db2.gz WYJQVYRMSFHHGH-INIZCTEOSA-N 2 2 324.469 0.015 10 30 DCEELP C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329726701 278222080 /nfs/dbraw/zinc/22/20/80/278222080.db2.gz GQPZZTUAWNURNF-KGLIPLIRSA-N 2 2 307.398 0.592 10 30 DCEELP Cn1cc(C#N)cc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000081808404 415489398 /nfs/dbraw/zinc/48/93/98/415489398.db2.gz VNEKJXKLGOXNFX-UHFFFAOYSA-N 2 2 303.410 0.653 10 30 DCEELP C=CCOCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000339472014 416157744 /nfs/dbraw/zinc/15/77/44/416157744.db2.gz LGUCZUJTXUBKQF-XYPWUTKMSA-N 2 2 307.438 0.958 10 30 DCEELP C=CCOCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000339472014 416157748 /nfs/dbraw/zinc/15/77/48/416157748.db2.gz LGUCZUJTXUBKQF-XYPWUTKMSA-N 2 2 307.438 0.958 10 30 DCEELP C=C[C@H](C(=O)OC)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000619719506 397183778 /nfs/dbraw/zinc/18/37/78/397183778.db2.gz FHSKTWTTYJXEPJ-OAHLLOKOSA-N 2 2 323.437 0.590 10 30 DCEELP C=CCNC(=O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845551 415638755 /nfs/dbraw/zinc/63/87/55/415638755.db2.gz WYJQVYRMSFHHGH-MRXNPFEDSA-N 2 2 324.469 0.015 10 30 DCEELP C=CCNC(=O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845551 415638760 /nfs/dbraw/zinc/63/87/60/415638760.db2.gz WYJQVYRMSFHHGH-MRXNPFEDSA-N 2 2 324.469 0.015 10 30 DCEELP C=CCNC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119644619 415747391 /nfs/dbraw/zinc/74/73/91/415747391.db2.gz YWQFFVJQGAUKPZ-PMRDEQMMSA-N 2 2 320.481 0.920 10 30 DCEELP C=CCNC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119644619 415747393 /nfs/dbraw/zinc/74/73/93/415747393.db2.gz YWQFFVJQGAUKPZ-PMRDEQMMSA-N 2 2 320.481 0.920 10 30 DCEELP C=CCNC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119644619 415747397 /nfs/dbraw/zinc/74/73/97/415747397.db2.gz YWQFFVJQGAUKPZ-PMRDEQMMSA-N 2 2 320.481 0.920 10 30 DCEELP C=CCNC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119644619 415747401 /nfs/dbraw/zinc/74/74/01/415747401.db2.gz YWQFFVJQGAUKPZ-PMRDEQMMSA-N 2 2 320.481 0.920 10 30 DCEELP C[NH+]=C(NCC1(O)CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262793312 276841437 /nfs/dbraw/zinc/84/14/37/276841437.db2.gz OXWBPDPCKXTCBK-AWEZNQCLSA-N 2 2 310.442 0.273 10 30 DCEELP C=C(C)CC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000351846066 336073200 /nfs/dbraw/zinc/07/32/00/336073200.db2.gz ZMRAIVPYBKCXST-UHFFFAOYSA-N 2 2 316.471 0.062 10 30 DCEELP C[NH+]=C(NCc1cnc(C)s1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262431091 526389246 /nfs/dbraw/zinc/38/92/46/526389246.db2.gz FCBQYLGSTNFFCR-CYBMUJFWSA-N 2 2 323.466 0.933 10 30 DCEELP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173892493 526428400 /nfs/dbraw/zinc/42/84/00/526428400.db2.gz BSJWWYLPTPNEJC-MRXNPFEDSA-N 2 2 322.453 0.753 10 30 DCEELP CC[NH+]=C(NCc1c(C)noc1C)NC[C@H]1C[N@H+](C)CCO1 ZINC000156045432 528828841 /nfs/dbraw/zinc/82/88/41/528828841.db2.gz JSPQFAVSIDWZLE-ZDUSSCGKSA-N 2 2 309.414 0.677 10 30 DCEELP CC[NH+]=C(NCc1c(C)noc1C)NC[C@H]1C[N@@H+](C)CCO1 ZINC000156045432 528828844 /nfs/dbraw/zinc/82/88/44/528828844.db2.gz JSPQFAVSIDWZLE-ZDUSSCGKSA-N 2 2 309.414 0.677 10 30 DCEELP C[NH+]=C(NCc1ncccc1C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000134181617 275409167 /nfs/dbraw/zinc/40/91/67/275409167.db2.gz MESWRUKOTRTXHE-HNNXBMFYSA-N 2 2 317.437 0.872 10 30 DCEELP C=CCNC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000365145137 526527503 /nfs/dbraw/zinc/52/75/03/526527503.db2.gz QVXNNAFNXRIUJT-UHFFFAOYSA-N 2 2 322.453 0.165 10 30 DCEELP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000172750152 526922637 /nfs/dbraw/zinc/92/26/37/526922637.db2.gz RDHSCDCRTDHZHN-INIZCTEOSA-N 2 2 305.422 0.265 10 30 DCEELP CC[NH+]=C(NCC[N@H+](C)CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158642175 528804909 /nfs/dbraw/zinc/80/49/09/528804909.db2.gz GZKYQQILPYQQTA-UHFFFAOYSA-N 2 2 318.487 0.413 10 30 DCEELP CC[NH+]=C(NCC[N@@H+](C)CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158642175 528804915 /nfs/dbraw/zinc/80/49/15/528804915.db2.gz GZKYQQILPYQQTA-UHFFFAOYSA-N 2 2 318.487 0.413 10 30 DCEELP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478441 397187169 /nfs/dbraw/zinc/18/71/69/397187169.db2.gz CMTXLEJLTMYGHT-MJBXVCDLSA-N 2 2 308.426 0.851 10 30 DCEELP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478441 397187174 /nfs/dbraw/zinc/18/71/74/397187174.db2.gz CMTXLEJLTMYGHT-MJBXVCDLSA-N 2 2 308.426 0.851 10 30 DCEELP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478440 397187457 /nfs/dbraw/zinc/18/74/57/397187457.db2.gz CMTXLEJLTMYGHT-MELADBBJSA-N 2 2 308.426 0.851 10 30 DCEELP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478440 397187461 /nfs/dbraw/zinc/18/74/61/397187461.db2.gz CMTXLEJLTMYGHT-MELADBBJSA-N 2 2 308.426 0.851 10 30 DCEELP C#CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174885216 527025878 /nfs/dbraw/zinc/02/58/78/527025878.db2.gz HRQJXRZJMACGSS-HOTGVXAUSA-N 2 2 306.454 0.226 10 30 DCEELP C#CCNC(=O)[C@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174885216 527025884 /nfs/dbraw/zinc/02/58/84/527025884.db2.gz HRQJXRZJMACGSS-HOTGVXAUSA-N 2 2 306.454 0.226 10 30 DCEELP C=CC[C@H](CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000183315408 527194911 /nfs/dbraw/zinc/19/49/11/527194911.db2.gz UXZUNKXDDOENQC-OAHLLOKOSA-N 2 2 324.469 0.781 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000261838463 528811455 /nfs/dbraw/zinc/81/14/55/528811455.db2.gz WHFMDKQUVKHJHD-NUEKZKHPSA-N 3 2 323.485 0.355 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000261838463 528811461 /nfs/dbraw/zinc/81/14/61/528811461.db2.gz WHFMDKQUVKHJHD-NUEKZKHPSA-N 3 2 323.485 0.355 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[NH+](C)CCO1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261838463 528811467 /nfs/dbraw/zinc/81/14/67/528811467.db2.gz WHFMDKQUVKHJHD-NUEKZKHPSA-N 3 2 323.485 0.355 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[NH+](C)CCO1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261838463 528811472 /nfs/dbraw/zinc/81/14/72/528811472.db2.gz WHFMDKQUVKHJHD-NUEKZKHPSA-N 3 2 323.485 0.355 10 30 DCEELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000329348961 546047414 /nfs/dbraw/zinc/04/74/14/546047414.db2.gz DSOZFKOXKUBWRR-CQSZACIVSA-N 2 2 320.441 0.397 10 30 DCEELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329348961 546047415 /nfs/dbraw/zinc/04/74/15/546047415.db2.gz DSOZFKOXKUBWRR-CQSZACIVSA-N 2 2 320.441 0.397 10 30 DCEELP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000106271570 415640870 /nfs/dbraw/zinc/64/08/70/415640870.db2.gz ITLOGYBYMCGCCK-OAHLLOKOSA-N 2 2 310.442 0.657 10 30 DCEELP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000106271570 415640878 /nfs/dbraw/zinc/64/08/78/415640878.db2.gz ITLOGYBYMCGCCK-OAHLLOKOSA-N 2 2 310.442 0.657 10 30 DCEELP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000343725183 415699116 /nfs/dbraw/zinc/69/91/16/415699116.db2.gz FXUUXBMZFLXTPN-UHFFFAOYSA-N 2 2 320.437 0.060 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000261986496 526372500 /nfs/dbraw/zinc/37/25/00/526372500.db2.gz QEYASFJJKGQEEW-RBSFLKMASA-N 3 2 311.474 0.211 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000261986496 526372506 /nfs/dbraw/zinc/37/25/06/526372506.db2.gz QEYASFJJKGQEEW-RBSFLKMASA-N 3 2 311.474 0.211 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[NH+](C)CCO1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261986496 526372510 /nfs/dbraw/zinc/37/25/10/526372510.db2.gz QEYASFJJKGQEEW-RBSFLKMASA-N 3 2 311.474 0.211 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[NH+](C)CCO1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261986496 526372517 /nfs/dbraw/zinc/37/25/17/526372517.db2.gz QEYASFJJKGQEEW-RBSFLKMASA-N 3 2 311.474 0.211 10 30 DCEELP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328601022 546038078 /nfs/dbraw/zinc/03/80/78/546038078.db2.gz DTWIJDMPIDCUNB-QWHCGFSZSA-N 2 2 307.398 0.595 10 30 DCEELP C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328601022 546038079 /nfs/dbraw/zinc/03/80/79/546038079.db2.gz DTWIJDMPIDCUNB-QWHCGFSZSA-N 2 2 307.398 0.595 10 30 DCEELP COc1cc2c(cc1OC)C[N@H+](CCNC1=[NH+]CCN1C)CC2 ZINC000262676534 533170886 /nfs/dbraw/zinc/17/08/86/533170886.db2.gz UCESPXUEYPBBHO-UHFFFAOYSA-N 2 2 318.421 0.953 10 30 DCEELP COc1cc2c(cc1OC)C[N@@H+](CCNC1=[NH+]CCN1C)CC2 ZINC000262676534 533170890 /nfs/dbraw/zinc/17/08/90/533170890.db2.gz UCESPXUEYPBBHO-UHFFFAOYSA-N 2 2 318.421 0.953 10 30 DCEELP C=CC[C@@]1(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)CCC[NH2+]1 ZINC000595956542 396695611 /nfs/dbraw/zinc/69/56/11/396695611.db2.gz RFSYZXCXUIQUGI-YOEHRIQHSA-N 2 2 323.437 0.781 10 30 DCEELP C#CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245420921 527018558 /nfs/dbraw/zinc/01/85/58/527018558.db2.gz HRQJXRZJMACGSS-HZPDHXFCSA-N 2 2 306.454 0.226 10 30 DCEELP C#CCNC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245420921 527018563 /nfs/dbraw/zinc/01/85/63/527018563.db2.gz HRQJXRZJMACGSS-HZPDHXFCSA-N 2 2 306.454 0.226 10 30 DCEELP CC[NH+]=C(NCC[NH+]1CCC1)N1CCN(C(=O)C(C)C)CC1 ZINC000261940845 658843201 /nfs/dbraw/zinc/84/32/01/658843201.db2.gz XIJVCONFMQSUEU-UHFFFAOYSA-N 2 2 309.458 0.458 10 30 DCEELP C=CCNC(=O)CN1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000127275713 415886183 /nfs/dbraw/zinc/88/61/83/415886183.db2.gz DHVYZTVFIVSHAL-UHFFFAOYSA-N 2 2 305.426 0.501 10 30 DCEELP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648092 341382679 /nfs/dbraw/zinc/38/26/79/341382679.db2.gz JHRALWATGUCYNM-WBVHZDCISA-N 2 2 314.433 0.973 10 30 DCEELP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248648092 341382680 /nfs/dbraw/zinc/38/26/80/341382680.db2.gz JHRALWATGUCYNM-WBVHZDCISA-N 2 2 314.433 0.973 10 30 DCEELP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248648092 341382681 /nfs/dbraw/zinc/38/26/81/341382681.db2.gz JHRALWATGUCYNM-WBVHZDCISA-N 2 2 314.433 0.973 10 30 DCEELP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248648092 341382682 /nfs/dbraw/zinc/38/26/82/341382682.db2.gz JHRALWATGUCYNM-WBVHZDCISA-N 2 2 314.433 0.973 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCS[C@@H](C(C)C)C1 ZINC000153762071 526372473 /nfs/dbraw/zinc/37/24/73/526372473.db2.gz YBLVBJNZJDDVAZ-ZIAGYGMSSA-N 2 2 314.499 0.966 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCS[C@@H](C(C)C)C1 ZINC000153762071 526372481 /nfs/dbraw/zinc/37/24/81/526372481.db2.gz YBLVBJNZJDDVAZ-ZIAGYGMSSA-N 2 2 314.499 0.966 10 30 DCEELP C=CCOCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371638216 526779181 /nfs/dbraw/zinc/77/91/81/526779181.db2.gz PJLMCMIZDVWCML-CQSZACIVSA-N 2 2 310.442 0.657 10 30 DCEELP C=CCOCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371638216 526779190 /nfs/dbraw/zinc/77/91/90/526779190.db2.gz PJLMCMIZDVWCML-CQSZACIVSA-N 2 2 310.442 0.657 10 30 DCEELP [NH2+]=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CC1 ZINC000195522758 685155031 /nfs/dbraw/zinc/15/50/31/685155031.db2.gz CHQMKZQSOHFYRQ-UHFFFAOYSA-N 2 2 316.409 0.187 10 30 DCEELP Cc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)c(C#N)c(C)[nH+]1 ZINC000301749532 416089942 /nfs/dbraw/zinc/08/99/42/416089942.db2.gz ADIBOPYOZBTQLM-UHFFFAOYSA-N 2 2 301.394 0.780 10 30 DCEELP C=CCNC(=O)C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000351303559 416273152 /nfs/dbraw/zinc/27/31/52/416273152.db2.gz MSNGRAVPXVAVOU-UHFFFAOYSA-N 2 2 308.470 0.782 10 30 DCEELP C[C@@H]1CN(C(=[NH2+])NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000262492383 534270968 /nfs/dbraw/zinc/27/09/68/534270968.db2.gz VJBUYIBZWAQUKN-MGPQQGTHSA-N 2 2 312.458 0.910 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC[C@@]1(C)CCCS1 ZINC000159275221 526373800 /nfs/dbraw/zinc/37/38/00/526373800.db2.gz FYKJGNQAKKJHPG-TZMCWYRMSA-N 2 2 300.472 0.768 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC[C@@]1(C)CCCS1 ZINC000159275221 526373803 /nfs/dbraw/zinc/37/38/03/526373803.db2.gz FYKJGNQAKKJHPG-TZMCWYRMSA-N 2 2 300.472 0.768 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261658229 528810774 /nfs/dbraw/zinc/81/07/74/528810774.db2.gz FTKPUMOGXLDVAD-MCIONIFRSA-N 2 2 312.458 0.686 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261658229 528810781 /nfs/dbraw/zinc/81/07/81/528810781.db2.gz FTKPUMOGXLDVAD-MCIONIFRSA-N 2 2 312.458 0.686 10 30 DCEELP O=C(NC[C@H](O)C[NH+]1CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC000330240977 336128611 /nfs/dbraw/zinc/12/86/11/336128611.db2.gz FMOSFFGTLBONBI-HNNXBMFYSA-N 2 2 311.426 0.510 10 30 DCEELP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592183208 397114605 /nfs/dbraw/zinc/11/46/05/397114605.db2.gz SMIUJOKHNSMCLD-ZDUSSCGKSA-N 2 2 324.425 0.183 10 30 DCEELP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592183208 397114609 /nfs/dbraw/zinc/11/46/09/397114609.db2.gz SMIUJOKHNSMCLD-ZDUSSCGKSA-N 2 2 324.425 0.183 10 30 DCEELP C[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175519676 526356603 /nfs/dbraw/zinc/35/66/03/526356603.db2.gz VTPFIYSEZDAPSY-OAHLLOKOSA-N 3 2 309.458 0.064 10 30 DCEELP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261979009 526377185 /nfs/dbraw/zinc/37/71/85/526377185.db2.gz OMJKBGSYTKEECP-GFCCVEGCSA-N 2 2 316.471 0.165 10 30 DCEELP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261979009 526377189 /nfs/dbraw/zinc/37/71/89/526377189.db2.gz OMJKBGSYTKEECP-GFCCVEGCSA-N 2 2 316.471 0.165 10 30 DCEELP C[NH+]=C(NCc1c[nH]nc1C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262458308 526381286 /nfs/dbraw/zinc/38/12/86/526381286.db2.gz LSFGQVRGAXBCHW-AWEZNQCLSA-N 2 2 306.414 0.200 10 30 DCEELP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173972623 526922026 /nfs/dbraw/zinc/92/20/26/526922026.db2.gz JBKJYPKTBKNMBR-WBVHZDCISA-N 2 2 319.449 0.511 10 30 DCEELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329348960 546046793 /nfs/dbraw/zinc/04/67/93/546046793.db2.gz DSOZFKOXKUBWRR-AWEZNQCLSA-N 2 2 320.441 0.397 10 30 DCEELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000329348960 546046799 /nfs/dbraw/zinc/04/67/99/546046799.db2.gz DSOZFKOXKUBWRR-AWEZNQCLSA-N 2 2 320.441 0.397 10 30 DCEELP C[N@@H+]1CCO[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262565277 658197906 /nfs/dbraw/zinc/19/79/06/658197906.db2.gz XSDOTIMRFMQLAF-TZMCWYRMSA-N 2 2 304.394 0.745 10 30 DCEELP C[N@H+]1CCO[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262565277 658197911 /nfs/dbraw/zinc/19/79/11/658197911.db2.gz XSDOTIMRFMQLAF-TZMCWYRMSA-N 2 2 304.394 0.745 10 30 DCEELP CC#CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000135952136 415959640 /nfs/dbraw/zinc/95/96/40/415959640.db2.gz IEQGCDDPHHKUPC-XYPWUTKMSA-N 2 2 304.438 0.962 10 30 DCEELP CC#CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000135952136 415959641 /nfs/dbraw/zinc/95/96/41/415959641.db2.gz IEQGCDDPHHKUPC-XYPWUTKMSA-N 2 2 304.438 0.962 10 30 DCEELP CC[NH+]=C(NCC1(O)CCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262784041 280836796 /nfs/dbraw/zinc/83/67/96/280836796.db2.gz LVXRGUHBTNEXEU-CQSZACIVSA-N 2 2 310.442 0.273 10 30 DCEELP CC[NH+]=C(NCC[NH+]1CCC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000262045362 528805492 /nfs/dbraw/zinc/80/54/92/528805492.db2.gz YWIXMSKUCSGSAG-UHFFFAOYSA-N 2 2 323.485 0.989 10 30 DCEELP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)CCO1 ZINC000179192712 416184563 /nfs/dbraw/zinc/18/45/63/416184563.db2.gz PXFLQZOUSFETRX-OAHLLOKOSA-N 2 2 322.453 0.934 10 30 DCEELP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)CCO1 ZINC000179192712 416184565 /nfs/dbraw/zinc/18/45/65/416184565.db2.gz PXFLQZOUSFETRX-OAHLLOKOSA-N 2 2 322.453 0.934 10 30 DCEELP C[C@@H](O)C[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329755814 416189577 /nfs/dbraw/zinc/18/95/77/416189577.db2.gz YINFWCWQYSBYOT-NEPJUHHUSA-N 2 2 307.398 0.179 10 30 DCEELP C[C@@H](O)C[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329755814 416189580 /nfs/dbraw/zinc/18/95/80/416189580.db2.gz YINFWCWQYSBYOT-NEPJUHHUSA-N 2 2 307.398 0.179 10 30 DCEELP C[C@@H]1CN(C(=[NH2+])NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000262492386 534271282 /nfs/dbraw/zinc/27/12/82/534271282.db2.gz VJBUYIBZWAQUKN-RDBSUJKOSA-N 2 2 312.458 0.910 10 30 DCEELP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000172750157 526922281 /nfs/dbraw/zinc/92/22/81/526922281.db2.gz RDHSCDCRTDHZHN-MRXNPFEDSA-N 2 2 305.422 0.265 10 30 DCEELP C#C[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000186028274 527340107 /nfs/dbraw/zinc/34/01/07/527340107.db2.gz DJFWTCWCMHJHTR-LSVZVQIISA-N 2 2 304.438 0.961 10 30 DCEELP C#C[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000186028274 527340115 /nfs/dbraw/zinc/34/01/15/527340115.db2.gz DJFWTCWCMHJHTR-LSVZVQIISA-N 2 2 304.438 0.961 10 30 DCEELP C[N@@H+]1CCO[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C[C@H]21 ZINC000328871836 416135434 /nfs/dbraw/zinc/13/54/34/416135434.db2.gz INFRJCBCYQCCQV-MGPQQGTHSA-N 2 2 319.409 0.517 10 30 DCEELP C[N@H+]1CCO[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C[C@H]21 ZINC000328871836 416135437 /nfs/dbraw/zinc/13/54/37/416135437.db2.gz INFRJCBCYQCCQV-MGPQQGTHSA-N 2 2 319.409 0.517 10 30 DCEELP C[C@@H](O)C[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329755817 416188606 /nfs/dbraw/zinc/18/86/06/416188606.db2.gz YINFWCWQYSBYOT-VXGBXAGGSA-N 2 2 307.398 0.179 10 30 DCEELP C[C@@H](O)C[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329755817 416188610 /nfs/dbraw/zinc/18/86/10/416188610.db2.gz YINFWCWQYSBYOT-VXGBXAGGSA-N 2 2 307.398 0.179 10 30 DCEELP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCC(OCC2CC2)CC1 ZINC000261825767 526378860 /nfs/dbraw/zinc/37/88/60/526378860.db2.gz UZGNNDKZVZOGJQ-INIZCTEOSA-N 2 2 324.469 0.783 10 30 DCEELP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCC(OCC2CC2)CC1 ZINC000261825767 526378867 /nfs/dbraw/zinc/37/88/67/526378867.db2.gz UZGNNDKZVZOGJQ-INIZCTEOSA-N 2 2 324.469 0.783 10 30 DCEELP C[NH+]=C(NCc1cnc(C)s1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262431092 526389380 /nfs/dbraw/zinc/38/93/80/526389380.db2.gz FCBQYLGSTNFFCR-ZDUSSCGKSA-N 2 2 323.466 0.933 10 30 DCEELP C[NH+]=C(NC1CCC1)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000262777266 526344528 /nfs/dbraw/zinc/34/45/28/526344528.db2.gz JQQLUXUOABQOHM-UHFFFAOYSA-N 2 2 316.471 0.213 10 30 DCEELP C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364945227 527198412 /nfs/dbraw/zinc/19/84/12/527198412.db2.gz PVYCGXBXIOWETM-ZIAGYGMSSA-N 2 2 310.442 0.391 10 30 DCEELP C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364945227 527198420 /nfs/dbraw/zinc/19/84/20/527198420.db2.gz PVYCGXBXIOWETM-ZIAGYGMSSA-N 2 2 310.442 0.391 10 30 DCEELP C[C@@H]1CN(C(=[NH2+])NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000262492379 662416440 /nfs/dbraw/zinc/41/64/40/662416440.db2.gz VJBUYIBZWAQUKN-MCIONIFRSA-N 2 2 312.458 0.910 10 30 DCEELP C[C@@H]1CN(C(=[NH2+])NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000262492379 662416441 /nfs/dbraw/zinc/41/64/41/662416441.db2.gz VJBUYIBZWAQUKN-MCIONIFRSA-N 2 2 312.458 0.910 10 30 DCEELP C=CCN1CC[C@H]([NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000337197433 415927244 /nfs/dbraw/zinc/92/72/44/415927244.db2.gz XEHKGVUMXQYDBV-SJORKVTESA-N 2 2 320.481 0.875 10 30 DCEELP C=CCN1CC[C@H]([NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000337197433 415927247 /nfs/dbraw/zinc/92/72/47/415927247.db2.gz XEHKGVUMXQYDBV-SJORKVTESA-N 2 2 320.481 0.875 10 30 DCEELP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CCC)[NH+](C)C)CC1 ZINC000162020990 526994471 /nfs/dbraw/zinc/99/44/71/526994471.db2.gz STFFEZSEJPWNLA-HNNXBMFYSA-N 2 2 322.453 0.000 10 30 DCEELP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CCC)[NH+](C)C)CC1 ZINC000162020990 526994475 /nfs/dbraw/zinc/99/44/75/526994475.db2.gz STFFEZSEJPWNLA-HNNXBMFYSA-N 2 2 322.453 0.000 10 30 DCEELP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261737933 528807743 /nfs/dbraw/zinc/80/77/43/528807743.db2.gz KGWAEGHNWXSCQF-INIZCTEOSA-N 2 2 318.425 0.451 10 30 DCEELP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])NC[C@@H]2CCCO2)C[C@H](C)O1 ZINC000261898212 238168209 /nfs/dbraw/zinc/16/82/09/238168209.db2.gz VJIQHZZFBSLYBI-MJBXVCDLSA-N 2 2 312.458 0.958 10 30 DCEELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])NC[C@@H]2CCCO2)C[C@H](C)O1 ZINC000261898212 238168211 /nfs/dbraw/zinc/16/82/11/238168211.db2.gz VJIQHZZFBSLYBI-MJBXVCDLSA-N 2 2 312.458 0.958 10 30 DCEELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000329887055 336092457 /nfs/dbraw/zinc/09/24/57/336092457.db2.gz WYKHDWSIUUCNHF-MRXNPFEDSA-N 2 2 311.426 0.919 10 30 DCEELP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000329887055 336092459 /nfs/dbraw/zinc/09/24/59/336092459.db2.gz WYKHDWSIUUCNHF-MRXNPFEDSA-N 2 2 311.426 0.919 10 30 DCEELP C[NH+]=C(NCCn1cc[nH+]c1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261809452 526368187 /nfs/dbraw/zinc/36/81/87/526368187.db2.gz HOKXIRYZGRZGRW-UHFFFAOYSA-N 2 2 320.441 0.790 10 30 DCEELP C#CCC(CC#C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376713136 526675174 /nfs/dbraw/zinc/67/51/74/526675174.db2.gz YJMOGOKJXOLHCW-MRXNPFEDSA-N 2 2 301.434 0.934 10 30 DCEELP C#CCC(CC#C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376713136 526675176 /nfs/dbraw/zinc/67/51/76/526675176.db2.gz YJMOGOKJXOLHCW-MRXNPFEDSA-N 2 2 301.434 0.934 10 30 DCEELP C=CC[C@@H](CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000183315390 527088459 /nfs/dbraw/zinc/08/84/59/527088459.db2.gz UXZUNKXDDOENQC-HNNXBMFYSA-N 2 2 324.469 0.781 10 30 DCEELP C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262427533 526376338 /nfs/dbraw/zinc/37/63/38/526376338.db2.gz DDTJIDZFQXYDSV-HZPDHXFCSA-N 3 2 323.485 0.309 10 30 DCEELP C=CCNC(=O)C[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000357122856 526537110 /nfs/dbraw/zinc/53/71/10/526537110.db2.gz BTNYUEDJFLEVGW-MRXNPFEDSA-N 2 2 308.470 0.781 10 30 DCEELP C=CCNC(=O)C[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000357122856 526537115 /nfs/dbraw/zinc/53/71/15/526537115.db2.gz BTNYUEDJFLEVGW-MRXNPFEDSA-N 2 2 308.470 0.781 10 30 DCEELP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000581661950 396572820 /nfs/dbraw/zinc/57/28/20/396572820.db2.gz LCMVRRMYVKYKNB-KRWDZBQOSA-N 3 2 310.486 0.225 10 30 DCEELP C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000329269243 416160434 /nfs/dbraw/zinc/16/04/34/416160434.db2.gz GVIMQRAPXMWMJD-KGLIPLIRSA-N 2 2 321.425 0.673 10 30 DCEELP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797797 335788161 /nfs/dbraw/zinc/78/81/61/335788161.db2.gz YLSRDNOLDHFREJ-QWHCGFSZSA-N 2 2 316.409 0.215 10 30 DCEELP C[NH+]=C(NCC1CC[NH+](C)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262492955 526352590 /nfs/dbraw/zinc/35/25/90/526352590.db2.gz VKTYFTKASZYKQG-INIZCTEOSA-N 3 2 323.485 0.310 10 30 DCEELP C[NH+]=C(NCc1ccnc(C)n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175527644 526386315 /nfs/dbraw/zinc/38/63/15/526386315.db2.gz IVFHCIYXCVKOIB-OAHLLOKOSA-N 2 2 318.425 0.267 10 30 DCEELP C[N@@H+]1CCO[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262565270 529788149 /nfs/dbraw/zinc/78/81/49/529788149.db2.gz XSDOTIMRFMQLAF-OCCSQVGLSA-N 2 2 304.394 0.745 10 30 DCEELP C[N@H+]1CCO[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000262565270 529788150 /nfs/dbraw/zinc/78/81/50/529788150.db2.gz XSDOTIMRFMQLAF-OCCSQVGLSA-N 2 2 304.394 0.745 10 30 DCEELP C=CC[C@]1(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)CCC[NH2+]1 ZINC000595956540 396695346 /nfs/dbraw/zinc/69/53/46/396695346.db2.gz RFSYZXCXUIQUGI-RHSMWYFYSA-N 2 2 323.437 0.781 10 30 DCEELP C=CCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109755847 415683853 /nfs/dbraw/zinc/68/38/53/415683853.db2.gz NAKDMQPABVFHOQ-CVEARBPZSA-N 2 2 308.470 0.779 10 30 DCEELP C=CCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109755847 415683855 /nfs/dbraw/zinc/68/38/55/415683855.db2.gz NAKDMQPABVFHOQ-CVEARBPZSA-N 2 2 308.470 0.779 10 30 DCEELP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262439150 526370116 /nfs/dbraw/zinc/37/01/16/526370116.db2.gz HDEMNONNVFBWTC-GJZGRUSLSA-N 3 2 309.458 0.063 10 30 DCEELP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262439150 526370122 /nfs/dbraw/zinc/37/01/22/526370122.db2.gz HDEMNONNVFBWTC-GJZGRUSLSA-N 3 2 309.458 0.063 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCSC(C)(C)C1 ZINC000125794455 668424426 /nfs/dbraw/zinc/42/44/26/668424426.db2.gz WGXREFPFYSWVGJ-GFCCVEGCSA-N 2 2 300.472 0.720 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCSC(C)(C)C1 ZINC000125794455 668424428 /nfs/dbraw/zinc/42/44/28/668424428.db2.gz WGXREFPFYSWVGJ-GFCCVEGCSA-N 2 2 300.472 0.720 10 30 DCEELP C=CC[C@]1(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@H](C)C2)CCC[NH2+]1 ZINC000595956050 396695623 /nfs/dbraw/zinc/69/56/23/396695623.db2.gz JBRQQKJORCPYTG-RHSMWYFYSA-N 2 2 323.437 0.781 10 30 DCEELP C=CC[C@]1(C(=O)N2CC[N@H+](CCC(=O)OC)[C@H](C)C2)CCC[NH2+]1 ZINC000595956050 396695625 /nfs/dbraw/zinc/69/56/25/396695625.db2.gz JBRQQKJORCPYTG-RHSMWYFYSA-N 2 2 323.437 0.781 10 30 DCEELP C=CCN1CC[C@H]([NH+]2CCN(c3cc[nH+]cc3OC)CC2)C1=O ZINC000337235901 415934634 /nfs/dbraw/zinc/93/46/34/415934634.db2.gz LLBIYOQBVROGRH-HNNXBMFYSA-N 2 2 316.405 0.999 10 30 DCEELP C[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000329269245 416159914 /nfs/dbraw/zinc/15/99/14/416159914.db2.gz GVIMQRAPXMWMJD-ZIAGYGMSSA-N 2 2 321.425 0.673 10 30 DCEELP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248345364 278167951 /nfs/dbraw/zinc/16/79/51/278167951.db2.gz MSFZWYZKEHJWAB-JKSUJKDBSA-N 3 2 323.485 0.310 10 30 DCEELP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000248345364 278167952 /nfs/dbraw/zinc/16/79/52/278167952.db2.gz MSFZWYZKEHJWAB-JKSUJKDBSA-N 3 2 323.485 0.310 10 30 DCEELP C[NH+]=C(NCC[NH+]1CCC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261840558 526356138 /nfs/dbraw/zinc/35/61/38/526356138.db2.gz WNHAAEBDCQTVMW-AWEZNQCLSA-N 2 2 306.414 0.075 10 30 DCEELP C[NH+]=C(NCCn1cc[nH+]c1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261703247 526367754 /nfs/dbraw/zinc/36/77/54/526367754.db2.gz GKCFFLBAFULZGS-OAHLLOKOSA-N 2 2 304.398 0.061 10 30 DCEELP C[NH+]=C(NCc1ccccn1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262429987 526385393 /nfs/dbraw/zinc/38/53/93/526385393.db2.gz DVRGGVJCYYLOAD-OAHLLOKOSA-N 2 2 303.410 0.564 10 30 DCEELP C[NH+]=C(NCc1scnc1C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262429416 526393556 /nfs/dbraw/zinc/39/35/56/526393556.db2.gz DMFGKPPTQFSHJC-CYBMUJFWSA-N 2 2 323.466 0.933 10 30 DCEELP CC[NH+]=C(NC[C@@H](C)[NH+](C)C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261977403 528809981 /nfs/dbraw/zinc/80/99/81/528809981.db2.gz NZUYWKSUYXCKNE-GFCCVEGCSA-N 2 2 318.487 0.411 10 30 DCEELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C#N)CC2)C1 ZINC000057906234 415338179 /nfs/dbraw/zinc/33/81/79/415338179.db2.gz BPYMUUBPWUTFPO-INIZCTEOSA-N 2 2 322.453 0.695 10 30 DCEELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C#N)CC2)C1 ZINC000057906234 415338188 /nfs/dbraw/zinc/33/81/88/415338188.db2.gz BPYMUUBPWUTFPO-INIZCTEOSA-N 2 2 322.453 0.695 10 30 DCEELP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000106271573 415641395 /nfs/dbraw/zinc/64/13/95/415641395.db2.gz ITLOGYBYMCGCCK-HNNXBMFYSA-N 2 2 310.442 0.657 10 30 DCEELP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000106271573 415641400 /nfs/dbraw/zinc/64/14/00/415641400.db2.gz ITLOGYBYMCGCCK-HNNXBMFYSA-N 2 2 310.442 0.657 10 30 DCEELP C[NH+]=C(NCC[NH+]1CCC1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261933281 526356707 /nfs/dbraw/zinc/35/67/07/526356707.db2.gz LSZGTGHPONAUJV-UHFFFAOYSA-N 2 2 309.458 0.599 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC[C@](C)(O)c1ccc(C)o1 ZINC000262490239 526373448 /nfs/dbraw/zinc/37/34/48/526373448.db2.gz ZHAMGPWZZUJGQJ-CJNGLKHVSA-N 2 2 324.425 0.291 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC[C@](C)(O)c1ccc(C)o1 ZINC000262490239 526373454 /nfs/dbraw/zinc/37/34/54/526373454.db2.gz ZHAMGPWZZUJGQJ-CJNGLKHVSA-N 2 2 324.425 0.291 10 30 DCEELP C#CCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000362739366 526732852 /nfs/dbraw/zinc/73/28/52/526732852.db2.gz ZVCLDUYOFOAHIT-XYPWUTKMSA-N 2 2 304.438 0.962 10 30 DCEELP C#CCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000362739366 526732858 /nfs/dbraw/zinc/73/28/58/526732858.db2.gz ZVCLDUYOFOAHIT-XYPWUTKMSA-N 2 2 304.438 0.962 10 30 DCEELP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N(C)CCC1CCOCC1 ZINC000158835741 664522902 /nfs/dbraw/zinc/52/29/02/664522902.db2.gz JFNBCETVNHPRLI-HNNXBMFYSA-N 2 2 312.458 0.641 10 30 DCEELP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N(C)CCC1CCOCC1 ZINC000158835741 664522905 /nfs/dbraw/zinc/52/29/05/664522905.db2.gz JFNBCETVNHPRLI-HNNXBMFYSA-N 2 2 312.458 0.641 10 30 DCEELP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797800 335788246 /nfs/dbraw/zinc/78/82/46/335788246.db2.gz YLSRDNOLDHFREJ-CHWSQXEVSA-N 2 2 316.409 0.215 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000261986497 526372678 /nfs/dbraw/zinc/37/26/78/526372678.db2.gz QEYASFJJKGQEEW-RRFJBIMHSA-N 3 2 311.474 0.211 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000261986497 526372686 /nfs/dbraw/zinc/37/26/86/526372686.db2.gz QEYASFJJKGQEEW-RRFJBIMHSA-N 3 2 311.474 0.211 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[NH+](C)CCO1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261986497 526372689 /nfs/dbraw/zinc/37/26/89/526372689.db2.gz QEYASFJJKGQEEW-RRFJBIMHSA-N 3 2 311.474 0.211 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[NH+](C)CCO1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261986497 526372693 /nfs/dbraw/zinc/37/26/93/526372693.db2.gz QEYASFJJKGQEEW-RRFJBIMHSA-N 3 2 311.474 0.211 10 30 DCEELP C[NH+]=C(NCc1c[nH]nc1C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262458310 526381526 /nfs/dbraw/zinc/38/15/26/526381526.db2.gz LSFGQVRGAXBCHW-CQSZACIVSA-N 2 2 306.414 0.200 10 30 DCEELP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173892484 526429807 /nfs/dbraw/zinc/42/98/07/526429807.db2.gz BSJWWYLPTPNEJC-INIZCTEOSA-N 2 2 322.453 0.753 10 30 DCEELP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478438 397186908 /nfs/dbraw/zinc/18/69/08/397186908.db2.gz CMTXLEJLTMYGHT-BFHYXJOUSA-N 2 2 308.426 0.851 10 30 DCEELP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478438 397186912 /nfs/dbraw/zinc/18/69/12/397186912.db2.gz CMTXLEJLTMYGHT-BFHYXJOUSA-N 2 2 308.426 0.851 10 30 DCEELP C[NH+]=C(NCCc1cc[nH+]cc1C)N1CCN(C2CC2)C(=O)C1 ZINC000261823552 526364226 /nfs/dbraw/zinc/36/42/26/526364226.db2.gz UPGVOBXPTBLBPW-UHFFFAOYSA-N 2 2 315.421 0.815 10 30 DCEELP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262493602 526367262 /nfs/dbraw/zinc/36/72/62/526367262.db2.gz VQIKRIHZEVNHDB-OAHLLOKOSA-N 3 2 320.441 0.173 10 30 DCEELP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262480839 528809325 /nfs/dbraw/zinc/80/93/25/528809325.db2.gz RMUODRQTEXIXQW-JKSUJKDBSA-N 3 2 323.485 0.453 10 30 DCEELP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262480839 528809327 /nfs/dbraw/zinc/80/93/27/528809327.db2.gz RMUODRQTEXIXQW-JKSUJKDBSA-N 3 2 323.485 0.453 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)CCC1CCOCC1 ZINC000158835605 664523018 /nfs/dbraw/zinc/52/30/18/664523018.db2.gz JFNBCETVNHPRLI-OAHLLOKOSA-N 2 2 312.458 0.641 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)CCC1CCOCC1 ZINC000158835605 664523020 /nfs/dbraw/zinc/52/30/20/664523020.db2.gz JFNBCETVNHPRLI-OAHLLOKOSA-N 2 2 312.458 0.641 10 30 DCEELP C=CCNC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863048 415637210 /nfs/dbraw/zinc/63/72/10/415637210.db2.gz HUYYNFIXZNKCML-UHFFFAOYSA-N 2 2 305.426 0.582 10 30 DCEELP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000623579185 416844773 /nfs/dbraw/zinc/84/47/73/416844773.db2.gz QRVMNXHSTBOOTR-HNNXBMFYSA-N 2 2 310.442 0.657 10 30 DCEELP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000623579185 416844780 /nfs/dbraw/zinc/84/47/80/416844780.db2.gz QRVMNXHSTBOOTR-HNNXBMFYSA-N 2 2 310.442 0.657 10 30 DCEELP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000623579186 416846271 /nfs/dbraw/zinc/84/62/71/416846271.db2.gz QRVMNXHSTBOOTR-OAHLLOKOSA-N 2 2 310.442 0.657 10 30 DCEELP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000623579186 416846277 /nfs/dbraw/zinc/84/62/77/416846277.db2.gz QRVMNXHSTBOOTR-OAHLLOKOSA-N 2 2 310.442 0.657 10 30 DCEELP C[NH+]=C(NCC(=O)NC(C)(C)C)NCc1cn2c([nH+]1)CCCC2 ZINC000262226907 526346115 /nfs/dbraw/zinc/34/61/15/526346115.db2.gz LKYWLLAULSSHMZ-UHFFFAOYSA-N 2 2 320.441 0.799 10 30 DCEELP C[NH+]=C(NCC1CC[NH+](C)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262492956 526353310 /nfs/dbraw/zinc/35/33/10/526353310.db2.gz VKTYFTKASZYKQG-MRXNPFEDSA-N 3 2 323.485 0.310 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000262753095 526373106 /nfs/dbraw/zinc/37/31/06/526373106.db2.gz GYSJHBWZBDAOIB-GDBMZVCRSA-N 3 2 323.485 0.499 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000262753095 526373109 /nfs/dbraw/zinc/37/31/09/526373109.db2.gz GYSJHBWZBDAOIB-GDBMZVCRSA-N 3 2 323.485 0.499 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[NH+](C)CCO1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000262753095 526373112 /nfs/dbraw/zinc/37/31/12/526373112.db2.gz GYSJHBWZBDAOIB-GDBMZVCRSA-N 3 2 323.485 0.499 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[NH+](C)CCO1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262753095 526373117 /nfs/dbraw/zinc/37/31/17/526373117.db2.gz GYSJHBWZBDAOIB-GDBMZVCRSA-N 3 2 323.485 0.499 10 30 DCEELP C[NH+]=C(NCc1cccn1C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262784861 526384871 /nfs/dbraw/zinc/38/48/71/526384871.db2.gz MCXYYNJFRMZKSS-OAHLLOKOSA-N 2 2 305.426 0.507 10 30 DCEELP C[NH+]=C(NCc1cccn1C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262784858 526385231 /nfs/dbraw/zinc/38/52/31/526385231.db2.gz MCXYYNJFRMZKSS-HNNXBMFYSA-N 2 2 305.426 0.507 10 30 DCEELP C[N@@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000163071124 1182498272 /nfs/dbraw/zinc/49/82/72/1182498272.db2.gz QWIPJJRPJSPGKH-AWEZNQCLSA-N 2 2 307.419 0.873 10 30 DCEELP C[N@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000163071124 1182498275 /nfs/dbraw/zinc/49/82/75/1182498275.db2.gz QWIPJJRPJSPGKH-AWEZNQCLSA-N 2 2 307.419 0.873 10 30 DCEELP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262439156 526370217 /nfs/dbraw/zinc/37/02/17/526370217.db2.gz HDEMNONNVFBWTC-LSDHHAIUSA-N 3 2 309.458 0.063 10 30 DCEELP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262439156 526370221 /nfs/dbraw/zinc/37/02/21/526370221.db2.gz HDEMNONNVFBWTC-LSDHHAIUSA-N 3 2 309.458 0.063 10 30 DCEELP C#CCOCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154247528 527063725 /nfs/dbraw/zinc/06/37/25/527063725.db2.gz FEXBJAQVUZNMAY-SJPCQFCGSA-N 2 2 319.449 0.796 10 30 DCEELP C#CCOCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154247528 527063728 /nfs/dbraw/zinc/06/37/28/527063728.db2.gz FEXBJAQVUZNMAY-SJPCQFCGSA-N 2 2 319.449 0.796 10 30 DCEELP CC[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175525304 528805505 /nfs/dbraw/zinc/80/55/05/528805505.db2.gz ZCPIFRKQAVKTFX-MRXNPFEDSA-N 3 2 323.485 0.454 10 30 DCEELP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC[C@H]1C[N@H+](C)CCO1)C2 ZINC000329776983 416190152 /nfs/dbraw/zinc/19/01/52/416190152.db2.gz OQJHQTPUPGIJRW-DKUMPPAJSA-N 2 2 310.442 0.836 10 30 DCEELP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C2 ZINC000329776983 416190154 /nfs/dbraw/zinc/19/01/54/416190154.db2.gz OQJHQTPUPGIJRW-DKUMPPAJSA-N 2 2 310.442 0.836 10 30 DCEELP C[NH+]1CCO[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329776983 416190156 /nfs/dbraw/zinc/19/01/56/416190156.db2.gz OQJHQTPUPGIJRW-DKUMPPAJSA-N 2 2 310.442 0.836 10 30 DCEELP C[NH+]1CCO[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000329776983 416190159 /nfs/dbraw/zinc/19/01/59/416190159.db2.gz OQJHQTPUPGIJRW-DKUMPPAJSA-N 2 2 310.442 0.836 10 30 DCEELP C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262794128 526370510 /nfs/dbraw/zinc/37/05/10/526370510.db2.gz PCUNNVRVDSNIKL-KKUMJFAQSA-N 2 2 310.442 0.129 10 30 DCEELP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329445025 546049113 /nfs/dbraw/zinc/04/91/13/546049113.db2.gz KSILZNBFVHWPDR-AWEZNQCLSA-N 2 2 320.441 0.469 10 30 DCEELP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329445025 546049119 /nfs/dbraw/zinc/04/91/19/546049119.db2.gz KSILZNBFVHWPDR-AWEZNQCLSA-N 2 2 320.441 0.469 10 30 DCEELP C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000611978354 396969008 /nfs/dbraw/zinc/96/90/08/396969008.db2.gz OFTKCAIZEDCJCX-INIZCTEOSA-N 2 2 324.469 0.600 10 30 DCEELP C[NH+]=C(NCc1c(C)noc1C)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000175527913 526379555 /nfs/dbraw/zinc/37/95/55/526379555.db2.gz SNKBJGNIVSYCAW-CQSZACIVSA-N 2 2 321.425 0.773 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262421779 662377801 /nfs/dbraw/zinc/37/78/01/662377801.db2.gz BGBSXFMGFGVZKO-JKSUJKDBSA-N 3 2 323.485 0.453 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262421779 662377804 /nfs/dbraw/zinc/37/78/04/662377804.db2.gz BGBSXFMGFGVZKO-JKSUJKDBSA-N 3 2 323.485 0.453 10 30 DCEELP CN(CCC#N)C(=O)CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000591664008 396969075 /nfs/dbraw/zinc/96/90/75/396969075.db2.gz GUNZFRHENJVEID-ZNMIVQPWSA-N 2 2 308.426 0.326 10 30 DCEELP CN(CCC#N)C(=O)CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000591664008 396969080 /nfs/dbraw/zinc/96/90/80/396969080.db2.gz GUNZFRHENJVEID-ZNMIVQPWSA-N 2 2 308.426 0.326 10 30 DCEELP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797792 415629258 /nfs/dbraw/zinc/62/92/58/415629258.db2.gz YLSRDNOLDHFREJ-OLZOCXBDSA-N 2 2 316.409 0.215 10 30 DCEELP C=CCNC(=O)NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875562 415637272 /nfs/dbraw/zinc/63/72/72/415637272.db2.gz PEQJNHAQKBNAEI-UHFFFAOYSA-N 2 2 319.409 0.686 10 30 DCEELP C=CCNC(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119644749 415746638 /nfs/dbraw/zinc/74/66/38/415746638.db2.gz YWQFFVJQGAUKPZ-VPSFDDGASA-N 2 2 320.481 0.920 10 30 DCEELP C=CCNC(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119644749 415746647 /nfs/dbraw/zinc/74/66/47/415746647.db2.gz YWQFFVJQGAUKPZ-VPSFDDGASA-N 2 2 320.481 0.920 10 30 DCEELP C=CCNC(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119644749 415746652 /nfs/dbraw/zinc/74/66/52/415746652.db2.gz YWQFFVJQGAUKPZ-VPSFDDGASA-N 2 2 320.481 0.920 10 30 DCEELP C=CCNC(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119644749 415746658 /nfs/dbraw/zinc/74/66/58/415746658.db2.gz YWQFFVJQGAUKPZ-VPSFDDGASA-N 2 2 320.481 0.920 10 30 DCEELP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515627 416326548 /nfs/dbraw/zinc/32/65/48/416326548.db2.gz XHLFNRLGKNJEOE-ZDUSSCGKSA-N 2 2 317.393 0.827 10 30 DCEELP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515627 416326549 /nfs/dbraw/zinc/32/65/49/416326549.db2.gz XHLFNRLGKNJEOE-ZDUSSCGKSA-N 2 2 317.393 0.827 10 30 DCEELP C[N@@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000163070997 1182497638 /nfs/dbraw/zinc/49/76/38/1182497638.db2.gz QWIPJJRPJSPGKH-CQSZACIVSA-N 2 2 307.419 0.873 10 30 DCEELP C[N@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000163070997 1182497644 /nfs/dbraw/zinc/49/76/44/1182497644.db2.gz QWIPJJRPJSPGKH-CQSZACIVSA-N 2 2 307.419 0.873 10 30 DCEELP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCC[C@@H]1C#N ZINC000262817327 275733967 /nfs/dbraw/zinc/73/39/67/275733967.db2.gz WDIGPMRWKAVZQY-DGCLKSJQSA-N 2 2 303.414 0.843 10 30 DCEELP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262431011 526354754 /nfs/dbraw/zinc/35/47/54/526354754.db2.gz DZOFMXBHLITSEE-HNNXBMFYSA-N 3 2 309.458 0.063 10 30 DCEELP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262431011 526354757 /nfs/dbraw/zinc/35/47/57/526354757.db2.gz DZOFMXBHLITSEE-HNNXBMFYSA-N 3 2 309.458 0.063 10 30 DCEELP CC[NH+](CC)CCNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158633889 528126362 /nfs/dbraw/zinc/12/63/62/528126362.db2.gz BMQFVGHIEWIBJO-UHFFFAOYSA-N 2 2 318.487 0.413 10 30 DCEELP COc1cc2c(cc1OC)C[N@H+](CCNC1=[NH+]C[C@@H](C)N1)CC2 ZINC000262200853 533169729 /nfs/dbraw/zinc/16/97/29/533169729.db2.gz ASGRNAAVTCECQM-GFCCVEGCSA-N 2 2 318.421 0.999 10 30 DCEELP COc1cc2c(cc1OC)C[N@@H+](CCNC1=[NH+]C[C@@H](C)N1)CC2 ZINC000262200853 533169739 /nfs/dbraw/zinc/16/97/39/533169739.db2.gz ASGRNAAVTCECQM-GFCCVEGCSA-N 2 2 318.421 0.999 10 30 DCEELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C#N)cn1C ZINC000081758463 415488720 /nfs/dbraw/zinc/48/87/20/415488720.db2.gz UEQJOZWDQQLWNQ-UHFFFAOYSA-N 2 2 317.437 0.995 10 30 DCEELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C#N)cn1C ZINC000081758463 415488730 /nfs/dbraw/zinc/48/87/30/415488730.db2.gz UEQJOZWDQQLWNQ-UHFFFAOYSA-N 2 2 317.437 0.995 10 30 DCEELP C=CCNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863281 415637754 /nfs/dbraw/zinc/63/77/54/415637754.db2.gz KFYZVENLQYSQFX-OAHLLOKOSA-N 2 2 319.453 0.970 10 30 DCEELP C[NH+]=C(NCC[NH+]1CCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000179203771 277750190 /nfs/dbraw/zinc/75/01/90/277750190.db2.gz UBSFNOFIZCQDCY-UHFFFAOYSA-N 2 2 316.471 0.167 10 30 DCEELP O=C(NC[C@@H](O)C[NH+]1CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC000330240978 336128504 /nfs/dbraw/zinc/12/85/04/336128504.db2.gz FMOSFFGTLBONBI-OAHLLOKOSA-N 2 2 311.426 0.510 10 30 DCEELP C[NH+]=C(NCc1cc(C)no1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175526843 526381387 /nfs/dbraw/zinc/38/13/87/526381387.db2.gz JVLDGKPXKMQODZ-ZDUSSCGKSA-N 2 2 307.398 0.465 10 30 DCEELP C#CCC(CC#C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376713135 526674725 /nfs/dbraw/zinc/67/47/25/526674725.db2.gz YJMOGOKJXOLHCW-INIZCTEOSA-N 2 2 301.434 0.934 10 30 DCEELP C#CCC(CC#C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376713135 526674730 /nfs/dbraw/zinc/67/47/30/526674730.db2.gz YJMOGOKJXOLHCW-INIZCTEOSA-N 2 2 301.434 0.934 10 30 DCEELP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCSC(C)(C)C1 ZINC000125794682 668424410 /nfs/dbraw/zinc/42/44/10/668424410.db2.gz WGXREFPFYSWVGJ-LBPRGKRZSA-N 2 2 300.472 0.720 10 30 DCEELP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCSC(C)(C)C1 ZINC000125794682 668424411 /nfs/dbraw/zinc/42/44/11/668424411.db2.gz WGXREFPFYSWVGJ-LBPRGKRZSA-N 2 2 300.472 0.720 10 30 DCEELP C[NH+]1CCC(CNC(=[NH2+])N2CCOCC2)([NH+]2CCCCC2)CC1 ZINC000262538488 530048366 /nfs/dbraw/zinc/04/83/66/530048366.db2.gz QQISKGDICPPNCN-UHFFFAOYSA-N 3 2 323.485 0.584 10 30 DCEELP C=CC[C@@]1(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@H](C)C2)CCC[NH2+]1 ZINC000595956049 396695679 /nfs/dbraw/zinc/69/56/79/396695679.db2.gz JBRQQKJORCPYTG-PBHICJAKSA-N 2 2 323.437 0.781 10 30 DCEELP C=CC[C@@]1(C(=O)N2CC[N@H+](CCC(=O)OC)[C@H](C)C2)CCC[NH2+]1 ZINC000595956049 396695681 /nfs/dbraw/zinc/69/56/81/396695681.db2.gz JBRQQKJORCPYTG-PBHICJAKSA-N 2 2 323.437 0.781 10 30 DCEELP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285992 416325899 /nfs/dbraw/zinc/32/58/99/416325899.db2.gz JHRALWATGUCYNM-NVXWUHKLSA-N 2 2 314.433 0.973 10 30 DCEELP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285992 416325900 /nfs/dbraw/zinc/32/59/00/416325900.db2.gz JHRALWATGUCYNM-NVXWUHKLSA-N 2 2 314.433 0.973 10 30 DCEELP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195285992 416325901 /nfs/dbraw/zinc/32/59/01/416325901.db2.gz JHRALWATGUCYNM-NVXWUHKLSA-N 2 2 314.433 0.973 10 30 DCEELP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195285992 416325902 /nfs/dbraw/zinc/32/59/02/416325902.db2.gz JHRALWATGUCYNM-NVXWUHKLSA-N 2 2 314.433 0.973 10 30 DCEELP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797673 335788105 /nfs/dbraw/zinc/78/81/05/335788105.db2.gz WSLPUNFPNJHGAM-STQMWFEESA-N 2 2 318.425 0.767 10 30 DCEELP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261979560 526370058 /nfs/dbraw/zinc/37/00/58/526370058.db2.gz OMJKBGSYTKEECP-LBPRGKRZSA-N 2 2 316.471 0.165 10 30 DCEELP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261979560 526370062 /nfs/dbraw/zinc/37/00/62/526370062.db2.gz OMJKBGSYTKEECP-LBPRGKRZSA-N 2 2 316.471 0.165 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CC[C@]2(CCOC2)C1 ZINC000158006998 669923733 /nfs/dbraw/zinc/92/37/33/669923733.db2.gz SIKIMWHJHDRSAU-ZBFHGGJFSA-N 2 2 310.442 0.395 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CC[C@]2(CCOC2)C1 ZINC000158006998 669923739 /nfs/dbraw/zinc/92/37/39/669923739.db2.gz SIKIMWHJHDRSAU-ZBFHGGJFSA-N 2 2 310.442 0.395 10 30 DCEELP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262565253 529782439 /nfs/dbraw/zinc/78/24/39/529782439.db2.gz XSDOTIMRFMQLAF-GXTWGEPZSA-N 2 2 304.394 0.745 10 30 DCEELP C[N@H+]1CCO[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262565253 529782440 /nfs/dbraw/zinc/78/24/40/529782440.db2.gz XSDOTIMRFMQLAF-GXTWGEPZSA-N 2 2 304.394 0.745 10 30 DCEELP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173972648 526922169 /nfs/dbraw/zinc/92/21/69/526922169.db2.gz JBKJYPKTBKNMBR-NVXWUHKLSA-N 2 2 319.449 0.511 10 30 DCEELP C=CC[C@@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364945225 527092684 /nfs/dbraw/zinc/09/26/84/527092684.db2.gz PVYCGXBXIOWETM-KGLIPLIRSA-N 2 2 310.442 0.391 10 30 DCEELP C=CC[C@@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364945225 527092687 /nfs/dbraw/zinc/09/26/87/527092687.db2.gz PVYCGXBXIOWETM-KGLIPLIRSA-N 2 2 310.442 0.391 10 30 DCEELP CC[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000262449134 528807812 /nfs/dbraw/zinc/80/78/12/528807812.db2.gz JLKTWZDTSZZOKY-OAHLLOKOSA-N 2 2 320.441 0.255 10 30 DCEELP CC[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1C[N@H+](C)CCO1 ZINC000156045294 528828567 /nfs/dbraw/zinc/82/85/67/528828567.db2.gz JSPQFAVSIDWZLE-CYBMUJFWSA-N 2 2 309.414 0.677 10 30 DCEELP CC[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000156045294 528828573 /nfs/dbraw/zinc/82/85/73/528828573.db2.gz JSPQFAVSIDWZLE-CYBMUJFWSA-N 2 2 309.414 0.677 10 30 DCEELP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478439 397187265 /nfs/dbraw/zinc/18/72/65/397187265.db2.gz CMTXLEJLTMYGHT-IHRRRGAJSA-N 2 2 308.426 0.851 10 30 DCEELP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478439 397187270 /nfs/dbraw/zinc/18/72/70/397187270.db2.gz CMTXLEJLTMYGHT-IHRRRGAJSA-N 2 2 308.426 0.851 10 30 DCEELP C=CCN1CC[C@@H]([NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000337197430 415927518 /nfs/dbraw/zinc/92/75/18/415927518.db2.gz XEHKGVUMXQYDBV-DLBZAZTESA-N 2 2 320.481 0.875 10 30 DCEELP C=CCN1CC[C@@H]([NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000337197430 415927521 /nfs/dbraw/zinc/92/75/21/415927521.db2.gz XEHKGVUMXQYDBV-DLBZAZTESA-N 2 2 320.481 0.875 10 30 DCEELP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)CCO1 ZINC000179192724 300236719 /nfs/dbraw/zinc/23/67/19/300236719.db2.gz PXFLQZOUSFETRX-HNNXBMFYSA-N 2 2 322.453 0.934 10 30 DCEELP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)CCO1 ZINC000179192724 300236722 /nfs/dbraw/zinc/23/67/22/300236722.db2.gz PXFLQZOUSFETRX-HNNXBMFYSA-N 2 2 322.453 0.934 10 30 DCEELP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000105797788 335788223 /nfs/dbraw/zinc/78/82/23/335788223.db2.gz YLSRDNOLDHFREJ-STQMWFEESA-N 2 2 316.409 0.215 10 30 DCEELP C=CCNC(=O)C[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000153085742 341524259 /nfs/dbraw/zinc/52/42/59/341524259.db2.gz GIDQULYJDMPAOI-UHFFFAOYSA-N 2 2 308.470 0.638 10 30 DCEELP C[NH+]=C(NCC1CCC1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000262009064 526351399 /nfs/dbraw/zinc/35/13/99/526351399.db2.gz WEBKVBNVVKHWIT-UHFFFAOYSA-N 2 2 309.458 0.458 10 30 DCEELP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374211116 526606660 /nfs/dbraw/zinc/60/66/60/526606660.db2.gz JATZWZLODLKOOK-NSHDSACASA-N 2 2 305.382 0.989 10 30 DCEELP C#CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174885228 527016922 /nfs/dbraw/zinc/01/69/22/527016922.db2.gz HRQJXRZJMACGSS-CVEARBPZSA-N 2 2 306.454 0.226 10 30 DCEELP C#CCNC(=O)[C@@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174885228 527016930 /nfs/dbraw/zinc/01/69/30/527016930.db2.gz HRQJXRZJMACGSS-CVEARBPZSA-N 2 2 306.454 0.226 10 30 DCEELP C=CCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109755852 415683801 /nfs/dbraw/zinc/68/38/01/415683801.db2.gz NAKDMQPABVFHOQ-HZPDHXFCSA-N 2 2 308.470 0.779 10 30 DCEELP C=CCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109755852 415683804 /nfs/dbraw/zinc/68/38/04/415683804.db2.gz NAKDMQPABVFHOQ-HZPDHXFCSA-N 2 2 308.470 0.779 10 30 DCEELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000329887054 336092367 /nfs/dbraw/zinc/09/23/67/336092367.db2.gz WYKHDWSIUUCNHF-INIZCTEOSA-N 2 2 311.426 0.919 10 30 DCEELP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000329887054 336092369 /nfs/dbraw/zinc/09/23/69/336092369.db2.gz WYKHDWSIUUCNHF-INIZCTEOSA-N 2 2 311.426 0.919 10 30 DCEELP C[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175519657 526355804 /nfs/dbraw/zinc/35/58/04/526355804.db2.gz VTPFIYSEZDAPSY-HNNXBMFYSA-N 3 2 309.458 0.064 10 30 DCEELP CC[NH+]=C(NCC[NH+]1CCC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261710326 661524037 /nfs/dbraw/zinc/52/40/37/661524037.db2.gz HDCBXRNGNFGILT-HNNXBMFYSA-N 2 2 320.441 0.465 10 30 DCEELP CC[C@@H]1CN(C(NC[C@@H]2C[N@H+](C)CCO2)=[NH+]C)CCS1 ZINC000124046258 667891335 /nfs/dbraw/zinc/89/13/35/667891335.db2.gz IJNVAVKZDANBSB-CHWSQXEVSA-N 2 2 300.472 0.720 10 30 DCEELP CC[C@@H]1CN(C(NC[C@@H]2C[N@@H+](C)CCO2)=[NH+]C)CCS1 ZINC000124046258 667891338 /nfs/dbraw/zinc/89/13/38/667891338.db2.gz IJNVAVKZDANBSB-CHWSQXEVSA-N 2 2 300.472 0.720 10 30 DCEELP C=CC[C@@]1(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)CCC[NH2+]1 ZINC000595956052 396695636 /nfs/dbraw/zinc/69/56/36/396695636.db2.gz JBRQQKJORCPYTG-YOEHRIQHSA-N 2 2 323.437 0.781 10 30 DCEELP C=CC[C@@]1(C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)CCC[NH2+]1 ZINC000595956052 396695638 /nfs/dbraw/zinc/69/56/38/396695638.db2.gz JBRQQKJORCPYTG-YOEHRIQHSA-N 2 2 323.437 0.781 10 30 DCEELP C=CCNC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119525355 415745243 /nfs/dbraw/zinc/74/52/43/415745243.db2.gz LYUHGVHDZRZMSP-XYPWUTKMSA-N 2 2 306.454 0.531 10 30 DCEELP C=CCNC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119525355 415745251 /nfs/dbraw/zinc/74/52/51/415745251.db2.gz LYUHGVHDZRZMSP-XYPWUTKMSA-N 2 2 306.454 0.531 10 30 DCEELP C=CCNC(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119525355 415745256 /nfs/dbraw/zinc/74/52/56/415745256.db2.gz LYUHGVHDZRZMSP-XYPWUTKMSA-N 2 2 306.454 0.531 10 30 DCEELP C=CCNC(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119525355 415745260 /nfs/dbraw/zinc/74/52/60/415745260.db2.gz LYUHGVHDZRZMSP-XYPWUTKMSA-N 2 2 306.454 0.531 10 30 DCEELP C[NH+]=C(NCC[NH+]1CCC1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261661134 526356973 /nfs/dbraw/zinc/35/69/73/526356973.db2.gz ARORIBSIHQBOHG-CQSZACIVSA-N 2 2 303.410 0.816 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC[C@]1(C)CCCS1 ZINC000159275282 526373249 /nfs/dbraw/zinc/37/32/49/526373249.db2.gz FYKJGNQAKKJHPG-OCCSQVGLSA-N 2 2 300.472 0.768 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC[C@]1(C)CCCS1 ZINC000159275282 526373253 /nfs/dbraw/zinc/37/32/53/526373253.db2.gz FYKJGNQAKKJHPG-OCCSQVGLSA-N 2 2 300.472 0.768 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)Cc1csc(C)n1 ZINC000155646113 526373928 /nfs/dbraw/zinc/37/39/28/526373928.db2.gz DWOMGETWWYAARO-CYBMUJFWSA-N 2 2 311.455 0.789 10 30 DCEELP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1csc(C)n1 ZINC000155646113 526373933 /nfs/dbraw/zinc/37/39/33/526373933.db2.gz DWOMGETWWYAARO-CYBMUJFWSA-N 2 2 311.455 0.789 10 30 DCEELP C=CC[C@@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364945224 527094304 /nfs/dbraw/zinc/09/43/04/527094304.db2.gz PVYCGXBXIOWETM-KBPBESRZSA-N 2 2 310.442 0.391 10 30 DCEELP C=CC[C@@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364945224 527094306 /nfs/dbraw/zinc/09/43/06/527094306.db2.gz PVYCGXBXIOWETM-KBPBESRZSA-N 2 2 310.442 0.391 10 30 DCEELP CC[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1C[N@H+](C)CCO1 ZINC000157350290 528809617 /nfs/dbraw/zinc/80/96/17/528809617.db2.gz JPNQERCFSDKPCU-OLZOCXBDSA-N 2 2 300.472 0.768 10 30 DCEELP CC[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000157350290 528809621 /nfs/dbraw/zinc/80/96/21/528809621.db2.gz JPNQERCFSDKPCU-OLZOCXBDSA-N 2 2 300.472 0.768 10 30 DCEELP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCC[C@H]1C#N ZINC000262817328 662586341 /nfs/dbraw/zinc/58/63/41/662586341.db2.gz WDIGPMRWKAVZQY-WCQYABFASA-N 2 2 303.414 0.843 10 30 DCEELP C[C@@H]1C[NH+](C(C)(C)CNC(=[NH2+])NC[C@@H]2CCCO2)C[C@@H](C)O1 ZINC000261898209 238168284 /nfs/dbraw/zinc/16/82/84/238168284.db2.gz VJIQHZZFBSLYBI-MCIONIFRSA-N 2 2 312.458 0.958 10 30 DCEELP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285979 416325717 /nfs/dbraw/zinc/32/57/17/416325717.db2.gz JHRALWATGUCYNM-DOTOQJQBSA-N 2 2 314.433 0.973 10 30 DCEELP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285979 416325718 /nfs/dbraw/zinc/32/57/18/416325718.db2.gz JHRALWATGUCYNM-DOTOQJQBSA-N 2 2 314.433 0.973 10 30 DCEELP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195285979 416325719 /nfs/dbraw/zinc/32/57/19/416325719.db2.gz JHRALWATGUCYNM-DOTOQJQBSA-N 2 2 314.433 0.973 10 30 DCEELP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195285979 416325720 /nfs/dbraw/zinc/32/57/20/416325720.db2.gz JHRALWATGUCYNM-DOTOQJQBSA-N 2 2 314.433 0.973 10 30 DCEELP CC[NH+]=C(NCC1(O)CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000153339003 280837505 /nfs/dbraw/zinc/83/75/05/280837505.db2.gz VWLXQZCVUPTELB-OAHLLOKOSA-N 2 2 324.469 0.664 10 30 DCEELP CC[NH+]=C(NC[C@@H]1CCCCO1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000262479419 280840193 /nfs/dbraw/zinc/84/01/93/280840193.db2.gz RBNFHMFIMXEBQP-CVEARBPZSA-N 2 2 324.469 0.928 10 30 DCEELP C[NH+]=C(NCC[NH+]1CCC1)N1CCN(Cc2ccon2)CC1 ZINC000261802934 526356570 /nfs/dbraw/zinc/35/65/70/526356570.db2.gz RPOKIEXQMKUOMG-UHFFFAOYSA-N 2 2 306.414 0.073 10 30 DCEELP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262493598 526367831 /nfs/dbraw/zinc/36/78/31/526367831.db2.gz VQIKRIHZEVNHDB-HNNXBMFYSA-N 3 2 320.441 0.173 10 30 DCEELP C=CCOCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364283443 526774735 /nfs/dbraw/zinc/77/47/35/526774735.db2.gz ZKANLLDFFGUHHC-INIZCTEOSA-N 2 2 324.469 0.999 10 30 DCEELP C=CCOCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364283443 526774739 /nfs/dbraw/zinc/77/47/39/526774739.db2.gz ZKANLLDFFGUHHC-INIZCTEOSA-N 2 2 324.469 0.999 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CC[C@@]2(CCOC2)C1 ZINC000261995936 661949424 /nfs/dbraw/zinc/94/94/24/661949424.db2.gz SIKIMWHJHDRSAU-GDBMZVCRSA-N 2 2 310.442 0.395 10 30 DCEELP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CC[C@@]2(CCOC2)C1 ZINC000261995936 661949426 /nfs/dbraw/zinc/94/94/26/661949426.db2.gz SIKIMWHJHDRSAU-GDBMZVCRSA-N 2 2 310.442 0.395 10 30 DCEELP