smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000160454841 402346555 /nfs/dbraw/zinc/34/65/55/402346555.db2.gz GSPUXTJQLNESNY-ZOBUZTSGSA-N 1 3 305.466 2.430 20 70 DEIDHO CCN1CCCN(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159746868 279286593 /nfs/dbraw/zinc/28/65/93/279286593.db2.gz ZZTUGEDKUHXUKT-IXDOHACOSA-N 1 3 324.513 2.090 20 70 DEIDHO CCN1CCCN(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159746868 279286595 /nfs/dbraw/zinc/28/65/95/279286595.db2.gz ZZTUGEDKUHXUKT-IXDOHACOSA-N 1 3 324.513 2.090 20 70 DEIDHO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCCN1CCCCC1)CC2 ZINC000161376126 402384917 /nfs/dbraw/zinc/38/49/17/402384917.db2.gz DIDYGUQEJOVMKF-SJORKVTESA-N 1 3 310.482 2.114 20 70 DEIDHO C[C@@H]([NH2+][C@H](C)C1CCN(C)CC1)C(=O)NCc1ccccc1 ZINC000161216791 539590531 /nfs/dbraw/zinc/59/05/31/539590531.db2.gz XSYGDWQEVQTQIG-HUUCEWRRSA-N 1 3 303.450 2.011 20 70 DEIDHO CCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000160178309 197391542 /nfs/dbraw/zinc/39/15/42/197391542.db2.gz NUVYIHCEZLWFOH-JJRVBVJISA-N 1 3 303.450 2.255 20 70 DEIDHO C[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[C@H](N)c1ccccc1 ZINC000159787870 197364492 /nfs/dbraw/zinc/36/44/92/197364492.db2.gz BVLIVLQJSOLORY-KDOFPFPSSA-N 1 3 315.461 2.313 20 70 DEIDHO CN(CCC1CC1)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000159426601 402323371 /nfs/dbraw/zinc/32/33/71/402323371.db2.gz ALSVJHNEWYTJNP-QGZVFWFLSA-N 1 3 303.450 2.137 20 70 DEIDHO C[C@@H]([NH2+][C@@H](C)C1CCN(C)CC1)C(=O)NCc1ccccc1 ZINC000161216660 539590345 /nfs/dbraw/zinc/59/03/45/539590345.db2.gz XSYGDWQEVQTQIG-LSDHHAIUSA-N 1 3 303.450 2.011 20 70 DEIDHO CCN1CCCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159626588 402326946 /nfs/dbraw/zinc/32/69/46/402326946.db2.gz NHQQLOZUXCCABH-CALCHBBNSA-N 1 3 324.513 2.092 20 70 DEIDHO CCN1CCCN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159626588 402326947 /nfs/dbraw/zinc/32/69/47/402326947.db2.gz NHQQLOZUXCCABH-CALCHBBNSA-N 1 3 324.513 2.092 20 70 DEIDHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)CCN1C ZINC000160424828 402344967 /nfs/dbraw/zinc/34/49/67/402344967.db2.gz QNYSGWRZFMWUBR-QFBILLFUSA-N 1 3 317.477 2.091 20 70 DEIDHO C[C@H]1C[C@H](NCc2ccccc2CN2CCOCC2)CC[N@@H+]1C ZINC000160424828 402344969 /nfs/dbraw/zinc/34/49/69/402344969.db2.gz QNYSGWRZFMWUBR-QFBILLFUSA-N 1 3 317.477 2.091 20 70 DEIDHO C[C@H]1C[C@H](NCc2ccccc2CN2CCOCC2)CC[N@H+]1C ZINC000160424828 402344970 /nfs/dbraw/zinc/34/49/70/402344970.db2.gz QNYSGWRZFMWUBR-QFBILLFUSA-N 1 3 317.477 2.091 20 70 DEIDHO CCCC(=O)NC[C@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000160827256 402361964 /nfs/dbraw/zinc/36/19/64/402361964.db2.gz ZIGCGSZJCMSJAD-QGZVFWFLSA-N 1 3 309.498 2.491 20 70 DEIDHO CCCC(=O)NC[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000160827256 402361966 /nfs/dbraw/zinc/36/19/66/402361966.db2.gz ZIGCGSZJCMSJAD-QGZVFWFLSA-N 1 3 309.498 2.491 20 70 DEIDHO CC[C@](C)(O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000161449825 402388342 /nfs/dbraw/zinc/38/83/42/402388342.db2.gz AOUHDEPWAWATNL-JZXOWHBKSA-N 1 3 312.498 2.359 20 70 DEIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCO2 ZINC000160280667 525350191 /nfs/dbraw/zinc/35/01/91/525350191.db2.gz NUTQMSJGUVXBGI-AWEZNQCLSA-N 1 3 319.449 2.092 20 70 DEIDHO Cc1nc2c(s1)[C@H](NCCN1CCC([NH+](C)C)CC1)CCC2 ZINC000160251322 282042859 /nfs/dbraw/zinc/04/28/59/282042859.db2.gz LLDVUOLXIUGONY-OAHLLOKOSA-N 1 3 322.522 2.445 20 70 DEIDHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000217037292 402290704 /nfs/dbraw/zinc/29/07/04/402290704.db2.gz ODULNNCTYRTPKE-NVXWUHKLSA-N 1 3 324.513 2.423 20 70 DEIDHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000217037292 402290707 /nfs/dbraw/zinc/29/07/07/402290707.db2.gz ODULNNCTYRTPKE-NVXWUHKLSA-N 1 3 324.513 2.423 20 70 DEIDHO CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000161087950 285584175 /nfs/dbraw/zinc/58/41/75/285584175.db2.gz CZEIFJQYFIXDSQ-QGZVFWFLSA-N 1 3 309.498 2.345 20 70 DEIDHO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000160454592 197412008 /nfs/dbraw/zinc/41/20/08/197412008.db2.gz GSPUXTJQLNESNY-UXLLHSPISA-N 1 3 305.466 2.430 20 70 DEIDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000161021842 402369522 /nfs/dbraw/zinc/36/95/22/402369522.db2.gz CYCFWKFBELUSQA-UONOGXRCSA-N 1 3 307.404 2.476 20 70 DEIDHO CCCCN(C)CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159808020 402331115 /nfs/dbraw/zinc/33/11/15/402331115.db2.gz QHWHCOSUUMQSPS-KRWDZBQOSA-N 1 3 324.513 2.378 20 70 DEIDHO CC[C@@](C)(O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000161449950 402388385 /nfs/dbraw/zinc/38/83/85/402388385.db2.gz AOUHDEPWAWATNL-SOLBZPMBSA-N 1 3 312.498 2.359 20 70 DEIDHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@H]1CCOC1 ZINC000161160868 402376034 /nfs/dbraw/zinc/37/60/34/402376034.db2.gz SURFSSBKOJOUTP-QAPCUYQASA-N 1 3 318.461 2.158 20 70 DEIDHO Cc1ccccc1[C@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000159635006 402326968 /nfs/dbraw/zinc/32/69/68/402326968.db2.gz MSUZGCBHLFYMRL-SFHVURJKSA-N 1 3 319.493 2.036 20 70 DEIDHO CC(C)n1cc([C@H](C)NCCN2CCC([NH+](C)C)CC2)cn1 ZINC000160269930 402339473 /nfs/dbraw/zinc/33/94/73/402339473.db2.gz ROUJHBVXJLGICQ-HNNXBMFYSA-N 1 3 307.486 2.141 20 70 DEIDHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)CCN1C ZINC000160424960 402344986 /nfs/dbraw/zinc/34/49/86/402344986.db2.gz QNYSGWRZFMWUBR-APWZRJJASA-N 1 3 317.477 2.091 20 70 DEIDHO C[C@@H]1C[C@@H](NCc2ccccc2CN2CCOCC2)CC[N@@H+]1C ZINC000160424960 402344987 /nfs/dbraw/zinc/34/49/87/402344987.db2.gz QNYSGWRZFMWUBR-APWZRJJASA-N 1 3 317.477 2.091 20 70 DEIDHO C[C@@H]1C[C@@H](NCc2ccccc2CN2CCOCC2)CC[N@H+]1C ZINC000160424960 402344989 /nfs/dbraw/zinc/34/49/89/402344989.db2.gz QNYSGWRZFMWUBR-APWZRJJASA-N 1 3 317.477 2.091 20 70 DEIDHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1N1CCOCC1 ZINC000161461795 402388360 /nfs/dbraw/zinc/38/83/60/402388360.db2.gz MJYRRKQAOGLEDN-JFIYKMOQSA-N 1 3 317.477 2.342 20 70 DEIDHO CCN1CCCN(C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000159762867 402330302 /nfs/dbraw/zinc/33/03/02/402330302.db2.gz RDURJTNJLFQKMS-UHFFFAOYSA-N 1 3 312.502 2.236 20 70 DEIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cccnc1Cl ZINC000160197340 525349239 /nfs/dbraw/zinc/34/92/39/525349239.db2.gz HVNCFKPTAGWVDX-ZDUSSCGKSA-N 1 3 310.873 2.412 20 70 DEIDHO C[C@@H]1CN(CC2CC[NH+](CCOCC3CC3)CC2)C[C@H](C)O1 ZINC000160289490 402339912 /nfs/dbraw/zinc/33/99/12/402339912.db2.gz XVQZIQJGHNQEGO-IYBDPMFKSA-N 1 3 310.482 2.234 20 70 DEIDHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)CCN1C ZINC000160424698 402344479 /nfs/dbraw/zinc/34/44/79/402344479.db2.gz QNYSGWRZFMWUBR-VQIMIIECSA-N 1 3 317.477 2.091 20 70 DEIDHO C[C@@H]1C[C@H](NCc2ccccc2CN2CCOCC2)CC[N@@H+]1C ZINC000160424698 402344483 /nfs/dbraw/zinc/34/44/83/402344483.db2.gz QNYSGWRZFMWUBR-VQIMIIECSA-N 1 3 317.477 2.091 20 70 DEIDHO C[C@@H]1C[C@H](NCc2ccccc2CN2CCOCC2)CC[N@H+]1C ZINC000160424698 402344486 /nfs/dbraw/zinc/34/44/86/402344486.db2.gz QNYSGWRZFMWUBR-VQIMIIECSA-N 1 3 317.477 2.091 20 70 DEIDHO Cc1nc2n(n1)C[C@H](NC1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000160308993 279143745 /nfs/dbraw/zinc/14/37/45/279143745.db2.gz JTFAZKZPINTWFP-MRXNPFEDSA-N 1 3 317.481 2.288 20 70 DEIDHO Cc1nc2n(n1)C[C@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC000160308993 279143747 /nfs/dbraw/zinc/14/37/47/279143747.db2.gz JTFAZKZPINTWFP-MRXNPFEDSA-N 1 3 317.481 2.288 20 70 DEIDHO CCNC(=O)c1cccc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000160178462 197391695 /nfs/dbraw/zinc/39/16/95/197391695.db2.gz NUVYIHCEZLWFOH-VBQJREDUSA-N 1 3 303.450 2.255 20 70 DEIDHO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCCN1CCCCC1)CC2 ZINC000161375757 402385264 /nfs/dbraw/zinc/38/52/64/402385264.db2.gz DIDYGUQEJOVMKF-DLBZAZTESA-N 1 3 310.482 2.114 20 70 DEIDHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)CCOC)CC1 ZINC000160361585 402342907 /nfs/dbraw/zinc/34/29/07/402342907.db2.gz OLWGPAQCIGAGKP-QGZVFWFLSA-N 1 3 319.493 2.339 20 70 DEIDHO CC[C@](C)(O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000161450089 276675793 /nfs/dbraw/zinc/67/57/93/276675793.db2.gz AOUHDEPWAWATNL-NUJGCVRESA-N 1 3 312.498 2.359 20 70 DEIDHO CCN1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000159886793 276366841 /nfs/dbraw/zinc/36/68/41/276366841.db2.gz ITMJXMZWJVZQLY-UHFFFAOYSA-N 1 3 324.513 2.380 20 70 DEIDHO COC[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C(C)C ZINC000161212961 402377857 /nfs/dbraw/zinc/37/78/57/402377857.db2.gz VYMKYAITLRZEPD-LJQANCHMSA-N 1 3 320.477 2.404 20 70 DEIDHO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(OCCN(C)C)cc1 ZINC000161418059 402387153 /nfs/dbraw/zinc/38/71/53/402387153.db2.gz XQPOSZYWAXDOPE-OAHLLOKOSA-N 1 3 305.466 2.372 20 70 DEIDHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160850498 402363130 /nfs/dbraw/zinc/36/31/30/402363130.db2.gz SWXDEDNTWVHOCT-INIZCTEOSA-N 1 3 324.513 2.233 20 70 DEIDHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160850498 402363133 /nfs/dbraw/zinc/36/31/33/402363133.db2.gz SWXDEDNTWVHOCT-INIZCTEOSA-N 1 3 324.513 2.233 20 70 DEIDHO C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1(C)CC1 ZINC000161266572 402380406 /nfs/dbraw/zinc/38/04/06/402380406.db2.gz MVDMEGYWERZQBR-CQSZACIVSA-N 1 3 303.450 2.256 20 70 DEIDHO CCN1CCCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000159728132 285210739 /nfs/dbraw/zinc/21/07/39/285210739.db2.gz QASGRPZYZRXJKW-WMZOPIPTSA-N 1 3 324.513 2.234 20 70 DEIDHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCN1CCCC1 ZINC000161001359 402368820 /nfs/dbraw/zinc/36/88/20/402368820.db2.gz LAUCBUJKKUOCGW-QGZVFWFLSA-N 1 3 324.513 2.234 20 70 DEIDHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCN1CCCC1 ZINC000161001359 402368824 /nfs/dbraw/zinc/36/88/24/402368824.db2.gz LAUCBUJKKUOCGW-QGZVFWFLSA-N 1 3 324.513 2.234 20 70 DEIDHO CC[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CC1 ZINC000161275701 522880102 /nfs/dbraw/zinc/88/01/02/522880102.db2.gz LNXAKSAJZKNSHK-QGZVFWFLSA-N 1 3 303.450 2.256 20 70 DEIDHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1N1CCOCC1 ZINC000161461670 402388100 /nfs/dbraw/zinc/38/81/00/402388100.db2.gz MJYRRKQAOGLEDN-RYRKJORJSA-N 1 3 317.477 2.342 20 70 DEIDHO CCN1CCCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000159623317 402326937 /nfs/dbraw/zinc/32/69/37/402326937.db2.gz NWXGXSGCUHRNCG-KRWDZBQOSA-N 1 3 324.513 2.234 20 70 DEIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCO2 ZINC000160280803 525445194 /nfs/dbraw/zinc/44/51/94/525445194.db2.gz NUTQMSJGUVXBGI-CQSZACIVSA-N 1 3 319.449 2.092 20 70 DEIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cccnc1Cl ZINC000160197482 525445798 /nfs/dbraw/zinc/44/57/98/525445798.db2.gz HVNCFKPTAGWVDX-CYBMUJFWSA-N 1 3 310.873 2.412 20 70 DEIDHO C[C@H]([NH2+][C@@H](C)C1CCN(C)CC1)C(=O)NCc1ccccc1 ZINC000161216433 539590596 /nfs/dbraw/zinc/59/05/96/539590596.db2.gz XSYGDWQEVQTQIG-GJZGRUSLSA-N 1 3 303.450 2.011 20 70 DEIDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000161022102 402370045 /nfs/dbraw/zinc/37/00/45/402370045.db2.gz CYCFWKFBELUSQA-ZIAGYGMSSA-N 1 3 307.404 2.476 20 70 DEIDHO CCN1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000159509152 285209371 /nfs/dbraw/zinc/20/93/71/285209371.db2.gz UILQEDMZCLMGNQ-UHFFFAOYSA-N 1 3 310.486 2.033 20 70 DEIDHO CCO[C@H]1C[C@H](O)C12CC[NH+](CCCN1CCCCC1)CC2 ZINC000161375880 402385409 /nfs/dbraw/zinc/38/54/09/402385409.db2.gz DIDYGUQEJOVMKF-IRXDYDNUSA-N 1 3 310.482 2.114 20 70 DEIDHO CCN1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160917607 402365517 /nfs/dbraw/zinc/36/55/17/402365517.db2.gz PQQFGSMWCKPCBG-QGZVFWFLSA-N 1 3 324.513 2.234 20 70 DEIDHO CCN1CCCN(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000160917607 402365521 /nfs/dbraw/zinc/36/55/21/402365521.db2.gz PQQFGSMWCKPCBG-QGZVFWFLSA-N 1 3 324.513 2.234 20 70 DEIDHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000161022234 402369954 /nfs/dbraw/zinc/36/99/54/402369954.db2.gz CYCFWKFBELUSQA-KGLIPLIRSA-N 1 3 307.404 2.476 20 70 DEIDHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCN(CC)CC1 ZINC000159836838 402331804 /nfs/dbraw/zinc/33/18/04/402331804.db2.gz QBAXDUSEKOJVPL-KRWDZBQOSA-N 1 3 324.513 2.378 20 70 DEIDHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCCN(CC)CC1 ZINC000159836838 402331805 /nfs/dbraw/zinc/33/18/05/402331805.db2.gz QBAXDUSEKOJVPL-KRWDZBQOSA-N 1 3 324.513 2.378 20 70 DEIDHO CCN1CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000159871806 402332123 /nfs/dbraw/zinc/33/21/23/402332123.db2.gz SBSSCAPAHZNOQK-OAHLLOKOSA-N 1 3 312.502 2.090 20 70 DEIDHO CCC(CC)(C[NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000161273307 282070892 /nfs/dbraw/zinc/07/08/92/282070892.db2.gz TZUJXQJPCGARAL-INIZCTEOSA-N 1 3 305.466 2.479 20 70 DEIDHO CN(CCC1CC1)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159426493 402323181 /nfs/dbraw/zinc/32/31/81/402323181.db2.gz ALSVJHNEWYTJNP-KRWDZBQOSA-N 1 3 303.450 2.137 20 70 DEIDHO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000160454460 402346654 /nfs/dbraw/zinc/34/66/54/402346654.db2.gz GSPUXTJQLNESNY-INMHGKMJSA-N 1 3 305.466 2.430 20 70 DEIDHO C[C@H](CNC(=O)c1ccc(CN(C)C)cc1)C[NH+]1CCCC1 ZINC000160607421 402353734 /nfs/dbraw/zinc/35/37/34/402353734.db2.gz MPTCKSOMUIFTGR-OAHLLOKOSA-N 1 3 303.450 2.210 20 70 DEIDHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160850423 402363019 /nfs/dbraw/zinc/36/30/19/402363019.db2.gz SWXDEDNTWVHOCT-MRXNPFEDSA-N 1 3 324.513 2.233 20 70 DEIDHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160850423 402363022 /nfs/dbraw/zinc/36/30/22/402363022.db2.gz SWXDEDNTWVHOCT-MRXNPFEDSA-N 1 3 324.513 2.233 20 70 DEIDHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1N1CCOCC1 ZINC000161461927 402388323 /nfs/dbraw/zinc/38/83/23/402388323.db2.gz MJYRRKQAOGLEDN-SOLBZPMBSA-N 1 3 317.477 2.342 20 70 DEIDHO CCNC(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000160178190 197391485 /nfs/dbraw/zinc/39/14/85/197391485.db2.gz NUVYIHCEZLWFOH-ZQIUZPCESA-N 1 3 303.450 2.255 20 70 DEIDHO CCN1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160917473 285210768 /nfs/dbraw/zinc/21/07/68/285210768.db2.gz PQQFGSMWCKPCBG-KRWDZBQOSA-N 1 3 324.513 2.234 20 70 DEIDHO CCN1CCCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000160917473 285210770 /nfs/dbraw/zinc/21/07/70/285210770.db2.gz PQQFGSMWCKPCBG-KRWDZBQOSA-N 1 3 324.513 2.234 20 70 DEIDHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)CCN1C ZINC000160425069 402344548 /nfs/dbraw/zinc/34/45/48/402344548.db2.gz QNYSGWRZFMWUBR-LPHOPBHVSA-N 1 3 317.477 2.091 20 70 DEIDHO C[C@H]1C[C@@H](NCc2ccccc2CN2CCOCC2)CC[N@@H+]1C ZINC000160425069 402344552 /nfs/dbraw/zinc/34/45/52/402344552.db2.gz QNYSGWRZFMWUBR-LPHOPBHVSA-N 1 3 317.477 2.091 20 70 DEIDHO C[C@H]1C[C@@H](NCc2ccccc2CN2CCOCC2)CC[N@H+]1C ZINC000160425069 402344553 /nfs/dbraw/zinc/34/45/53/402344553.db2.gz QNYSGWRZFMWUBR-LPHOPBHVSA-N 1 3 317.477 2.091 20 70 DEIDHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CCOC1 ZINC000161160561 402375885 /nfs/dbraw/zinc/37/58/85/402375885.db2.gz SURFSSBKOJOUTP-MAUKXSAKSA-N 1 3 318.461 2.158 20 70 DEIDHO CCCCN(C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000159808161 402331208 /nfs/dbraw/zinc/33/12/08/402331208.db2.gz QHWHCOSUUMQSPS-QGZVFWFLSA-N 1 3 324.513 2.378 20 70 DEIDHO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(OCCN(C)C)cc1 ZINC000161417919 402387048 /nfs/dbraw/zinc/38/70/48/402387048.db2.gz XQPOSZYWAXDOPE-HNNXBMFYSA-N 1 3 305.466 2.372 20 70 DEIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(-n2cnnn2)cc1 ZINC000161119527 402373486 /nfs/dbraw/zinc/37/34/86/402373486.db2.gz LQCMRRUTVZJWTA-UNEWFSDZSA-N 1 3 314.437 2.186 20 70 DEIDHO CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N(C)C ZINC000159693910 519809436 /nfs/dbraw/zinc/80/94/36/519809436.db2.gz MZGWHNMIMHRBFM-QGZVFWFLSA-N 1 3 305.466 2.211 20 70 DEIDHO CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)N(C)C ZINC000159693910 519809437 /nfs/dbraw/zinc/80/94/37/519809437.db2.gz MZGWHNMIMHRBFM-QGZVFWFLSA-N 1 3 305.466 2.211 20 70 DEIDHO CC[C@@H](COC)[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000160329613 522595447 /nfs/dbraw/zinc/59/54/47/522595447.db2.gz QUCZKKJQAYTBSG-IBGZPJMESA-N 1 3 319.493 2.339 20 70 DEIDHO COc1ccccc1[C@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160203413 524779811 /nfs/dbraw/zinc/77/98/11/524779811.db2.gz SJWLMNIWCSNWPR-HNNXBMFYSA-N 1 3 305.466 2.372 20 70 DEIDHO CCCC(=O)NC[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000160827117 402361823 /nfs/dbraw/zinc/36/18/23/402361823.db2.gz ZIGCGSZJCMSJAD-KRWDZBQOSA-N 1 3 309.498 2.491 20 70 DEIDHO CCCC(=O)NC[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000160827117 402361826 /nfs/dbraw/zinc/36/18/26/402361826.db2.gz ZIGCGSZJCMSJAD-KRWDZBQOSA-N 1 3 309.498 2.491 20 70 DEIDHO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCCN1CCCCC1)CC2 ZINC000161376022 402384973 /nfs/dbraw/zinc/38/49/73/402384973.db2.gz DIDYGUQEJOVMKF-IAGOWNOFSA-N 1 3 310.482 2.114 20 70 DEIDHO CCN1CCCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000159638041 402327472 /nfs/dbraw/zinc/32/74/72/402327472.db2.gz IWZFQGUREDSHLH-UHFFFAOYSA-N 1 3 324.513 2.236 20 70 DEIDHO CCC(CC)(C[NH3+])C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000161273422 282071567 /nfs/dbraw/zinc/07/15/67/282071567.db2.gz TZUJXQJPCGARAL-MRXNPFEDSA-N 1 3 305.466 2.479 20 70 DEIDHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000217037332 402290641 /nfs/dbraw/zinc/29/06/41/402290641.db2.gz ODULNNCTYRTPKE-WBVHZDCISA-N 1 3 324.513 2.423 20 70 DEIDHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000217037332 402290644 /nfs/dbraw/zinc/29/06/44/402290644.db2.gz ODULNNCTYRTPKE-WBVHZDCISA-N 1 3 324.513 2.423 20 70 DEIDHO Cc1nc2c(s1)[C@@H](NCCN1CCC([NH+](C)C)CC1)CCC2 ZINC000160251437 282033911 /nfs/dbraw/zinc/03/39/11/282033911.db2.gz LLDVUOLXIUGONY-HNNXBMFYSA-N 1 3 322.522 2.445 20 70 DEIDHO CC[C@@H](COC)[NH2+]Cc1ccccc1CN1CCN(CC)CC1 ZINC000160362121 402342817 /nfs/dbraw/zinc/34/28/17/402342817.db2.gz ISIGEUCFPUKIKO-IBGZPJMESA-N 1 3 319.493 2.339 20 70 DEIDHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@H]1CCOC1 ZINC000161160772 402375963 /nfs/dbraw/zinc/37/59/63/402375963.db2.gz SURFSSBKOJOUTP-YJBOKZPZSA-N 1 3 318.461 2.158 20 70 DEIDHO CC[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CC1 ZINC000161275573 522651978 /nfs/dbraw/zinc/65/19/78/522651978.db2.gz LNXAKSAJZKNSHK-KRWDZBQOSA-N 1 3 303.450 2.256 20 70 DEIDHO CC(C)N(C)C(=O)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000160585584 402352486 /nfs/dbraw/zinc/35/24/86/402352486.db2.gz KPXIGKMKFOYVTB-UHFFFAOYSA-N 1 3 309.498 2.441 20 70 DEIDHO CCN1CCCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000159623469 402326997 /nfs/dbraw/zinc/32/69/97/402326997.db2.gz NWXGXSGCUHRNCG-QGZVFWFLSA-N 1 3 324.513 2.234 20 70 DEIDHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CCOC1 ZINC000161160643 402376183 /nfs/dbraw/zinc/37/61/83/402376183.db2.gz SURFSSBKOJOUTP-CRAIPNDOSA-N 1 3 318.461 2.158 20 70 DEIDHO C[C@@H]1CN(CC2CC[NH+](CCOCC3CC3)CC2)C[C@@H](C)O1 ZINC000160289732 524938791 /nfs/dbraw/zinc/93/87/91/524938791.db2.gz XVQZIQJGHNQEGO-HZPDHXFCSA-N 1 3 310.482 2.234 20 70 DEIDHO O=C(C1CC[NH+](CCCN2CCCCC2)CC1)N1CCCC1 ZINC000160354569 402342199 /nfs/dbraw/zinc/34/21/99/402342199.db2.gz UFWVHAJVCIWZAF-UHFFFAOYSA-N 1 3 307.482 2.197 20 70 DEIDHO CCN1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000159880183 402333008 /nfs/dbraw/zinc/33/30/08/402333008.db2.gz XPEIZQGVEYPHJP-UHFFFAOYSA-N 1 3 324.513 2.234 20 70 DEIDHO CCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000160178047 197391596 /nfs/dbraw/zinc/39/15/96/197391596.db2.gz NUVYIHCEZLWFOH-GRDNDAEWSA-N 1 3 303.450 2.255 20 70 DEIDHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1N1CCOCC1 ZINC000161461544 402388314 /nfs/dbraw/zinc/38/83/14/402388314.db2.gz MJYRRKQAOGLEDN-NUJGCVRESA-N 1 3 317.477 2.342 20 70 DEIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(-n2cnnn2)cc1 ZINC000161119408 402373497 /nfs/dbraw/zinc/37/34/97/402373497.db2.gz LQCMRRUTVZJWTA-LXZKKBNFSA-N 1 3 314.437 2.186 20 70 DEIDHO CCN1CCCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159638801 402327691 /nfs/dbraw/zinc/32/76/91/402327691.db2.gz GQECAVPJCQALON-KRWDZBQOSA-N 1 3 324.513 2.378 20 70 DEIDHO CCN1CCCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159638801 402327694 /nfs/dbraw/zinc/32/76/94/402327694.db2.gz GQECAVPJCQALON-KRWDZBQOSA-N 1 3 324.513 2.378 20 70 DEIDHO CCN1CCCN(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159746719 402329417 /nfs/dbraw/zinc/32/94/17/402329417.db2.gz ZZTUGEDKUHXUKT-BBWFWOEESA-N 1 3 324.513 2.090 20 70 DEIDHO CCN1CCCN(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159746719 402329420 /nfs/dbraw/zinc/32/94/20/402329420.db2.gz ZZTUGEDKUHXUKT-BBWFWOEESA-N 1 3 324.513 2.090 20 70 DEIDHO O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000160613370 355965589 /nfs/dbraw/zinc/96/55/89/355965589.db2.gz AYWNJSBLJUAVSG-QGZVFWFLSA-N 1 3 322.497 2.082 20 70 DEIDHO CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000161088088 402371953 /nfs/dbraw/zinc/37/19/53/402371953.db2.gz CZEIFJQYFIXDSQ-KRWDZBQOSA-N 1 3 309.498 2.345 20 70 DEIDHO CCN1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000159948308 279284794 /nfs/dbraw/zinc/28/47/94/279284794.db2.gz IWZOUOYMBRRNFK-UHFFFAOYSA-N 1 3 322.497 2.131 20 70 DEIDHO C[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[C@H](N)c1ccccc1 ZINC000159787732 197364484 /nfs/dbraw/zinc/36/44/84/197364484.db2.gz BVLIVLQJSOLORY-KSSFIOAISA-N 1 3 315.461 2.313 20 70 DEIDHO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000160454715 402346261 /nfs/dbraw/zinc/34/62/61/402346261.db2.gz GSPUXTJQLNESNY-VYDXJSESSA-N 1 3 305.466 2.430 20 70 DEIDHO CCN1CCCN(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000159626751 279285436 /nfs/dbraw/zinc/28/54/36/279285436.db2.gz NHQQLOZUXCCABH-IRXDYDNUSA-N 1 3 324.513 2.092 20 70 DEIDHO C[C@@H](CNC(=O)c1ccc(CN(C)C)cc1)C[NH+]1CCCC1 ZINC000160607298 402354047 /nfs/dbraw/zinc/35/40/47/402354047.db2.gz MPTCKSOMUIFTGR-HNNXBMFYSA-N 1 3 303.450 2.210 20 70 DEIDHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(CC)CC1 ZINC000159836717 402331431 /nfs/dbraw/zinc/33/14/31/402331431.db2.gz QBAXDUSEKOJVPL-QGZVFWFLSA-N 1 3 324.513 2.378 20 70 DEIDHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(CC)CC1 ZINC000159836717 402331433 /nfs/dbraw/zinc/33/14/33/402331433.db2.gz QBAXDUSEKOJVPL-QGZVFWFLSA-N 1 3 324.513 2.378 20 70 DEIDHO O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CCN(CC2CC2)C1 ZINC000160613504 355965333 /nfs/dbraw/zinc/96/53/33/355965333.db2.gz AYWNJSBLJUAVSG-KRWDZBQOSA-N 1 3 322.497 2.082 20 70 DEIDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(-n2cnnn2)cc1 ZINC000161119654 197466715 /nfs/dbraw/zinc/46/67/15/197466715.db2.gz LQCMRRUTVZJWTA-QRTARXTBSA-N 1 3 314.437 2.186 20 70 DEIDHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)CCOC)CC1 ZINC000160361471 402342765 /nfs/dbraw/zinc/34/27/65/402342765.db2.gz OLWGPAQCIGAGKP-KRWDZBQOSA-N 1 3 319.493 2.339 20 70 DEIDHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CCN1CCCC1 ZINC000161001488 402368874 /nfs/dbraw/zinc/36/88/74/402368874.db2.gz LAUCBUJKKUOCGW-KRWDZBQOSA-N 1 3 324.513 2.234 20 70 DEIDHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)CCN1CCCC1 ZINC000161001488 402368877 /nfs/dbraw/zinc/36/88/77/402368877.db2.gz LAUCBUJKKUOCGW-KRWDZBQOSA-N 1 3 324.513 2.234 20 70 DEIDHO CC(C)N(CCN(C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000159441486 277566155 /nfs/dbraw/zinc/56/61/55/277566155.db2.gz PYBXQFHZXMDBSO-UHFFFAOYSA-N 1 3 324.513 2.375 20 70 DEIDHO C[C@H]1CN(CC2CC[NH+](CCOCC3CC3)CC2)C[C@H](C)O1 ZINC000160289604 402340133 /nfs/dbraw/zinc/34/01/33/402340133.db2.gz XVQZIQJGHNQEGO-HOTGVXAUSA-N 1 3 310.482 2.234 20 70 DEIDHO CCN1CCCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000159638978 402327432 /nfs/dbraw/zinc/32/74/32/402327432.db2.gz QGRUWWGPQRGYSR-KRWDZBQOSA-N 1 3 324.513 2.236 20 70 DEIDHO CCN1CCCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000159638978 402327435 /nfs/dbraw/zinc/32/74/35/402327435.db2.gz QGRUWWGPQRGYSR-KRWDZBQOSA-N 1 3 324.513 2.236 20 70 DEIDHO CCN1CCCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000159738223 279284579 /nfs/dbraw/zinc/28/45/79/279284579.db2.gz GYKFIPRLZKKIAZ-INIZCTEOSA-N 1 3 324.513 2.234 20 70 DEIDHO CCN1CCCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000159738223 279284583 /nfs/dbraw/zinc/28/45/83/279284583.db2.gz GYKFIPRLZKKIAZ-INIZCTEOSA-N 1 3 324.513 2.234 20 70 DEIDHO CN(C)CCNC(=O)c1cccc(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000161223255 521785921 /nfs/dbraw/zinc/78/59/21/521785921.db2.gz ZSINZOOZRCLXAC-UHFFFAOYSA-N 1 3 315.461 2.256 20 70 DEIDHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)CCOC)cc2)CC1 ZINC000160329039 402341059 /nfs/dbraw/zinc/34/10/59/402341059.db2.gz GOUBUDGUNMIEFN-QGZVFWFLSA-N 1 3 319.493 2.339 20 70 DEIDHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000161021990 402369713 /nfs/dbraw/zinc/36/97/13/402369713.db2.gz CYCFWKFBELUSQA-KBPBESRZSA-N 1 3 307.404 2.476 20 70 DEIDHO CC(C)n1cc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cn1 ZINC000160269817 519971880 /nfs/dbraw/zinc/97/18/80/519971880.db2.gz ROUJHBVXJLGICQ-OAHLLOKOSA-N 1 3 307.486 2.141 20 70 DEIDHO CCN1CCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000159937563 521608822 /nfs/dbraw/zinc/60/88/22/521608822.db2.gz JHYVGFOLNLYQKL-UHFFFAOYSA-N 1 3 312.502 2.233 20 70 DEIDHO COc1ccccc1[C@@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160203554 524723417 /nfs/dbraw/zinc/72/34/17/524723417.db2.gz SJWLMNIWCSNWPR-OAHLLOKOSA-N 1 3 305.466 2.372 20 70 DEIDHO CCNC(=O)c1cccc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)c1 ZINC000160172148 197390525 /nfs/dbraw/zinc/39/05/25/197390525.db2.gz CKGJWYMOLQFKHK-YOEHRIQHSA-N 1 3 303.450 2.256 20 70 DEIDHO C[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[C@@H](N)c1ccccc1 ZINC000159788160 197364771 /nfs/dbraw/zinc/36/47/71/197364771.db2.gz BVLIVLQJSOLORY-RDTXWAMCSA-N 1 3 315.461 2.313 20 70 DEIDHO C[C@@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(-n2cnnn2)cc1 ZINC000161119772 402373463 /nfs/dbraw/zinc/37/34/63/402373463.db2.gz LQCMRRUTVZJWTA-KMFMINBZSA-N 1 3 314.437 2.186 20 70 DEIDHO CCC(CC)(C[NH3+])C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000161295018 402381580 /nfs/dbraw/zinc/38/15/80/402381580.db2.gz HUVBTVBAKQHTMV-UHFFFAOYSA-N 1 3 309.498 2.474 20 70 DEIDHO CCN1CCCN(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000159625976 276366675 /nfs/dbraw/zinc/36/66/75/276366675.db2.gz WYKWWPGJJHXUIO-UHFFFAOYSA-N 1 3 324.513 2.378 20 70 DEIDHO CCN1CCCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000159625976 276366676 /nfs/dbraw/zinc/36/66/76/276366676.db2.gz WYKWWPGJJHXUIO-UHFFFAOYSA-N 1 3 324.513 2.378 20 70 DEIDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)CCOC)cc2)CC1 ZINC000160328920 402340947 /nfs/dbraw/zinc/34/09/47/402340947.db2.gz GOUBUDGUNMIEFN-KRWDZBQOSA-N 1 3 319.493 2.339 20 70 DEIDHO CCN1CCCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000159728270 279285448 /nfs/dbraw/zinc/28/54/48/279285448.db2.gz QASGRPZYZRXJKW-FUHWJXTLSA-N 1 3 324.513 2.234 20 70 DEIDHO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)C1CCN(C)CC1 ZINC000161216541 539589890 /nfs/dbraw/zinc/58/98/90/539589890.db2.gz XSYGDWQEVQTQIG-CABCVRRESA-N 1 3 303.450 2.011 20 70 DEIDHO COC[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C(C)C ZINC000161213051 402377849 /nfs/dbraw/zinc/37/78/49/402377849.db2.gz VYMKYAITLRZEPD-IBGZPJMESA-N 1 3 320.477 2.404 20 70 DEIDHO C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1(C)CC1 ZINC000161266445 402379551 /nfs/dbraw/zinc/37/95/51/402379551.db2.gz MVDMEGYWERZQBR-AWEZNQCLSA-N 1 3 303.450 2.256 20 70 DEIDHO CCNC(=O)c1cccc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)c1 ZINC000160172012 197390298 /nfs/dbraw/zinc/39/02/98/197390298.db2.gz CKGJWYMOLQFKHK-WMLDXEAASA-N 1 3 303.450 2.256 20 70 DEIDHO CC[C@H](COC)[NH2+]Cc1ccccc1CN1CCN(CC)CC1 ZINC000160362254 402342786 /nfs/dbraw/zinc/34/27/86/402342786.db2.gz ISIGEUCFPUKIKO-LJQANCHMSA-N 1 3 319.493 2.339 20 70 DEIDHO Cc1ccccc1[C@@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000159634856 402327088 /nfs/dbraw/zinc/32/70/88/402327088.db2.gz MSUZGCBHLFYMRL-GOSISDBHSA-N 1 3 319.493 2.036 20 70 DEIDHO Cc1nc2n(n1)C[C@@H](NC1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000160309096 282116573 /nfs/dbraw/zinc/11/65/73/282116573.db2.gz JTFAZKZPINTWFP-INIZCTEOSA-N 1 3 317.481 2.288 20 70 DEIDHO Cc1nc2n(n1)C[C@@H]([NH2+]C1CCN(C3CCCCC3)CC1)CC2 ZINC000160309096 282116578 /nfs/dbraw/zinc/11/65/78/282116578.db2.gz JTFAZKZPINTWFP-INIZCTEOSA-N 1 3 317.481 2.288 20 70 DEIDHO CCN1CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000159871651 402332176 /nfs/dbraw/zinc/33/21/76/402332176.db2.gz SBSSCAPAHZNOQK-HNNXBMFYSA-N 1 3 312.502 2.090 20 70 DEIDHO CC[C@H](COC)[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000160329754 522260859 /nfs/dbraw/zinc/26/08/59/522260859.db2.gz QUCZKKJQAYTBSG-LJQANCHMSA-N 1 3 319.493 2.339 20 70 DEIDHO C[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[C@@H](N)c1ccccc1 ZINC000159788009 197364065 /nfs/dbraw/zinc/36/40/65/197364065.db2.gz BVLIVLQJSOLORY-KBXCAEBGSA-N 1 3 315.461 2.313 20 70 DEIDHO CCC[NH+](CCC)CCCNC(=O)N1CCCN(CC)CC1 ZINC000159814454 402331456 /nfs/dbraw/zinc/33/14/56/402331456.db2.gz ZVCOGHSHATVLGU-UHFFFAOYSA-N 1 3 312.502 2.236 20 70 DEIDHO